HEADER OXYGEN TRANSPORT 08-DEC-97 1A00 COMPND DEOXYHEMOGLOBIN A; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: SYNTHETIC BETA GLOBIN GENE; COMPND 5 MUTATION: CHAIN B, D, V1M, W37Y; COMPND 6 BIOLOGICAL_UNIT: TETRAMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 CELL: RED BLOOD CELL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET8C; SOURCE 8 EXPRESSION_SYSTEM_GENE: HUMAN BETA GLOBIN AUTHOR J.S.KAVANAUGH,A.ARNONE HET HEM A 142 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET HEM B 147 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET HEM C 142 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET HEM D 147 43 PROTOPORPHYRIN IX CONTAINS FE(II) mVAL.A 1 101.60 38.53 -1.96 100.61 38.55 -1.83 103.35 38.32 -3.66 103.03 37.25 -4.20 103.06 38.51 -2.16 103.80 37.44 -1.36 3 0 16.65-999 ?-999 ?-999 ? CBB HEM A 142 mLEU.A 2 103.96 39.36 -4.22 104.17 40.11 -3.60 105.48 38.45 -5.96 106.57 38.64 -5.40 104.28 39.33 -5.66 104.40 40.77 -6.19 3 0 16.14-999 ?-999 ?-999 ? CBB HEM A 142 mSER.A 3 105.27 37.51 -6.86 104.32 37.47 -7.18 107.08 37.42 -8.44 106.61 38.50 -8.83 106.35 36.62 -7.34 105.77 35.34 -7.92 2 0 19.58-999 ?-999 ?-999 ? CBB HEM A 142 mPRO~A 4 108.18 36.88 -8.91 108.43 36.01 -8.47 108.07 37.56 -11.24 108.10 38.52 -12.01 108.95 37.54 -9.99 110.21 36.72 -10.14 3 0 20.84-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 5 107.33 36.48 -11.41 107.44 35.79 -10.70 105.42 37.51 -12.56 105.14 38.16 -13.58 106.43 36.37 -12.58 105.72 35.03 -12.58 2 0 20.83-999 ?-999 ?-999 ? CBB HEM A 142 mASP~A 6 104.89 37.75 -11.37 105.21 37.16 -10.63 104.51 40.16 -11.62 103.85 40.94 -12.34 103.89 38.83 -11.23 103.36 38.95 -9.79 2 0 17.12-999 ?-999 ?-999 ? CBB HEM A 142 mLYS~A 7 105.69 40.35 -11.02 106.04 39.59 -10.47 106.56 41.90 -12.73 106.33 43.03 -13.21 106.34 41.69 -11.24 107.55 41.91 -10.40 2 0 16.50-999 ?-999 ?-999 ? CBB HEM A 142 mTHR~A 8 106.98 40.86 -13.40 107.14 40.09 -12.78 105.93 41.14 -15.62 105.93 42.02 -16.50 107.20 40.78 -14.86 107.72 39.34 -15.26 2 0 19.06-999 ?-999 ?-999 ? CBB HEM A 142 mASN~A 9 104.83 40.48 -15.25 105.00 39.80 -14.54 103.12 42.19 -15.74 102.70 42.81 -16.72 103.51 40.73 -15.85 102.49 39.78 -15.16 2 0 17.51-999 ?-999 ?-999 ? CBB HEM A 142 mVAL~A 10 103.23 42.74 -14.53 103.62 42.14 -13.83 103.61 45.15 -15.08 103.03 46.15 -15.56 102.82 44.13 -14.28 102.84 44.45 -12.76 3 0 14.10-999 ?-999 ?-999 ? CBB HEM A 142 mLYS~A 11 104.91 44.96 -15.07 105.19 44.14 -14.57 105.43 45.96 -17.21 105.29 47.03 -17.83 105.83 45.91 -15.75 107.27 45.50 -15.51 2 0 15.93-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 12 105.18 44.78 -17.74 105.30 44.05 -17.07 103.46 45.19 -19.50 103.33 45.87 -20.55 104.77 44.54 -19.12 104.71 43.02 -19.33 2 0 18.13-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 13 102.44 45.00 -18.67 102.65 44.48 -17.84 101.10 47.04 -18.84 100.38 47.73 -19.58 101.12 45.54 -19.00 100.05 44.90 -18.14 2 0 15.90-999 ?-999 ?-999 ? CBB HEM A 142 mTRP~A 14 101.85 47.49 -17.85 102.39 46.79 -17.39 102.58 49.76 -18.57 102.43 50.99 -18.76 101.81 48.94 -17.54 102.28 49.14 -16.08 3 0 13.78-999 ?-999 ?-999 ? CBB HEM A 142 mGLY~A 15 103.46 49.02 -19.20 103.47 48.09 -18.85 103.51 49.85 -21.50 103.82 50.93 -22.05 104.33 49.43 -20.27-999.99-999.99-999.99 1 0 16.91-999 ?-999 ?-999 ? CMB HEM A 142 mLYS~A 16 102.55 49.03 -21.89 102.51 48.23 -21.29 100.64 50.33 -22.75 100.14 50.96 -23.71 101.64 49.21 -23.03 100.91 47.97 -23.48 2 0 18.48-999 ?-999 ?-999 ? CBB HEM A 142 mVAL~A 17 100.39 50.54 -21.47 100.88 49.91 -20.86 100.14 52.94 -21.44 99.60 53.86 -22.04 99.48 51.61 -21.02 99.26 51.51 -19.49 3 0 15.53-999 ?-999 ?-999 ? CMB HEM A 142 mGLY~A 18 101.41 52.96 -21.08 101.69 52.11 -20.62 101.73 55.40 -21.01 101.32 55.83 -19.93 102.32 54.02 -21.28-999.99-999.99-999.99 1 0 16.09-999 ?-999 ?-999 ? CMB HEM A 142 mALA.A 19 101.79 56.11 -22.12 102.14 55.59 -22.90 99.91 57.73 -21.94 99.51 58.89 -21.65 101.38 57.50 -22.22 101.78 57.90 -23.65 2 0 16.83-999 ?-999 ?-999 ? CMB HEM A 142 mHIS~A 20 99.12 56.67 -22.05 99.63 55.84 -22.29 97.27 56.51 -20.39 96.06 56.51 -20.15 97.69 56.67 -21.84 97.01 55.49 -22.62 3 0 15.83-999 ?-999 ?-999 ? CMB HEM A 142 mALA~A 21 98.23 56.34 -19.50 99.15 56.38 -19.90 96.90 57.00 -17.50 95.92 56.46 -16.94 97.98 56.12 -18.09 99.29 56.24 -17.31 2 0 12.07-999 ?-999 ?-999 ? CMB HEM A 142 mGLY~A 22 97.07 58.29 -17.55 97.92 58.50 -18.03 94.77 59.29 -17.53 93.82 59.63 -16.80 96.21 59.33 -17.01-999.99-999.99-999.99 1 0 11.37-999 ?-999 ?-999 ? CMA HEM A 142 mGLU~A 23 94.61 58.90 -18.78 95.50 58.72 -19.21 92.54 57.54 -18.87 91.36 57.67 -18.59 93.30 58.74 -19.45 93.51 58.46 -20.91 2 0 14.35-999 ?-999 ?-999 ? CMB HEM A 142 mTYR~A 24 93.25 56.46 -18.68 94.19 56.57 -19.00 92.34 55.48 -16.63 91.32 55.01 -16.14 92.74 55.22 -18.08 93.78 54.10 -18.17 3 0 12.50-999 ?-999 ?-999 ? CBB HEM A 142 mGLY~A 25 93.21 56.26 -16.00 94.00 56.50 -16.56 91.66 57.36 -14.46 90.82 56.96 -13.62 93.03 56.70 -14.61-999.99-999.99-999.99 1 0 9.60-999 ?-999 ?-999 ? CMB HEM A 142 mALA~A 26 91.45 58.40 -15.26 92.21 58.63 -15.86 89.03 58.22 -15.68 87.90 58.39 -15.17 90.18 59.13 -15.24 90.25 60.37 -16.10 2 0 11.83-999 ?-999 ?-999 ? C1B HEM A 142 mGLU~A 27 89.27 57.28 -16.59 90.21 57.25 -16.92 87.73 55.49 -15.89 86.51 55.33 -15.71 88.22 56.38 -17.06 88.62 55.39 -18.15 2 0 13.47-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 28 88.70 54.94 -15.22 89.59 55.17 -15.61 87.72 54.82 -12.95 86.83 54.17 -12.39 88.52 54.09 -14.04 89.88 53.66 -13.49 2 0 10.39-999 ?-999 ?-999 ? CBB HEM A 142 mLEU~A 29 87.99 56.05 -12.64 88.75 56.40 -13.19 85.84 57.02 -12.02 84.93 56.89 -11.22 87.32 56.85 -11.64 88.02 58.21 -11.53 3 0 8.59-999 ?-999 ?-999 ? CBC HEM A 142 mGLU~A 30 85.65 57.30 -13.30 86.49 57.39 -13.84 83.48 56.19 -13.73 82.31 56.22 -13.27 84.29 57.46 -13.84 84.36 57.90 -15.31 2 0 11.19-999 ?-999 ?-999 ? CBC HEM A 142 mARG~A 31 84.07 55.06 -14.11 84.99 55.20 -14.47 83.06 53.51 -12.52 81.95 53.05 -12.24 83.42 53.75 -14.00 84.33 52.65 -14.51 2 0 11.81-999 ?-999 ?-999 ? CBC HEM A 142 mMET~A 32 83.96 53.84 -11.61 84.80 54.20 -12.03 82.57 54.53 -9.69 81.66 54.02 -9.03 83.77 53.70 -10.16 84.99 54.06 -9.35 2 0 8.25-999 ?-999 ?-999 ? CBC HEM A 142 mPHE~A 33 82.57 55.79 -10.02 83.35 56.04 -10.60 80.15 56.26 -10.03 79.10 56.51 -9.37 81.51 56.70 -9.54 81.79 58.15 -9.94 3 0 8.55-999 ?-999 ?-999 ? CBC HEM A 142 mLEU~A 34 80.15 55.69 -11.22 81.05 55.58 -11.64 78.39 53.93 -11.26 77.21 53.70 -11.02 78.85 55.28 -11.80 78.99 55.28 -13.31 3 0 12.04-999 ?-999 ?-999 ? CBC HEM A 142 mSER~A 35 79.32 53.02 -11.10 80.23 53.36 -11.31 78.85 51.60 -9.16 78.08 50.73 -8.75 79.06 51.67 -10.66 80.25 50.81 -11.08 2 0 11.97-999 ?-999 ?-999 ? CBC HEM A 142 mPHE.A 36 79.57 52.37 -8.39 80.13 53.01 -8.92 79.41 53.71 -6.39 80.45 54.31 -6.03 79.54 52.29 -6.91 80.93 51.73 -6.44 3 0 9.36-999 ?-999 ?-999 ? CBC HEM A 142 mPRO~A 37 78.19 54.23 -6.43 77.50 53.59 -6.76 78.33 56.05 -4.69 78.50 57.27 -4.48 77.87 55.60 -6.05 76.31 55.67 -6.06 3 0 9.71-999 ?-999 ?-999 ? CBC HEM A 142 mTHR~A 38 78.50 55.10 -3.77 78.32 54.17 -4.08 80.29 56.10 -2.37 80.66 56.90 -1.49 78.92 55.47 -2.40 78.77 54.24 -1.44 2 0 8.23-999 ?-999 ?-999 ? CBC HEM A 142 mTHR~A 39 81.10 55.75 -3.36 80.71 55.10 -4.01 82.41 57.79 -3.72 83.42 58.49 -3.50 82.46 56.29 -3.46 83.22 55.51 -4.61 2 0 4.64-999 ?-999 ?-999 ? CBC HEM A 142 mLYS~A 40 81.30 58.30 -4.23 80.58 57.63 -4.39 81.14 60.51 -3.20 81.27 61.75 -3.21 81.20 59.74 -4.53 79.98 60.15 -5.34 2 0 6.97-999 ?-999 ?-999 ? CBC HEM A 142 mTHR~A 41 80.93 59.79 -2.12 80.85 58.80 -2.27 82.17 61.11 -0.45 82.21 61.99 0.42 80.84 60.49 -0.81 80.27 59.63 0.35 2 0 7.85-999 ?-999 ?-999 ? CBC HEM A 142 mTYR~A 42 83.24 60.67 -1.09 83.02 59.97 -1.77 84.99 62.33 -1.73 86.07 62.89 -1.49 84.59 61.15 -0.84 85.66 60.03 -0.95 3 0 4.84-999 ?-999 ?-999 ? CMD HEM A 142 mPHE.A 43 84.14 62.70 -2.66 83.29 62.17 -2.68 83.29 64.76 -3.67 82.82 65.04 -4.79 84.47 63.81 -3.58 84.88 63.27 -4.96 3 0 5.34-999 ?-999 ?-999 ? CMD HEM A 142 mPRO.A 44 82.82 65.22 -2.54 83.30 64.89 -1.73 82.10 67.50 -3.16 81.29 68.29 -3.67 81.68 66.17 -2.55 81.31 66.27 -1.06 3 0 8.64-999 ?-999 ?-999 ? CMD HEM A 142 mHIS.A 45 83.40 67.76 -3.13 83.95 67.02 -2.74 84.36 68.98 -5.10 85.02 69.90 -5.61 83.97 69.02 -3.63 85.21 69.41 -2.79 3 0 7.11-999 ?-999 ?-999 ? O2D HEM A 142 mPHE.A 46 83.97 67.93 -5.78 83.42 67.30 -5.23 83.06 67.80 -8.07 81.93 67.48 -7.71 84.29 67.67 -7.16 84.88 66.27 -7.41 3 0 7.60-999 ?-999 ?-999 ? O2D HEM A 142 mASP.A 47 83.45 68.24 -9.26 84.41 68.51 -9.32 82.53 66.83 -10.84 83.64 66.50 -11.28 82.44 68.31 -10.38 82.85 69.34 -11.41 2 0 11.08-999 ?-999 ?-999 ? O2D HEM A 142 mLEU.A 48 81.50 66.04 -10.61 80.70 66.47 -10.20 81.06 64.32 -12.33 80.85 63.14 -12.71 81.64 64.61 -10.97 81.13 63.75 -9.82 3 0 12.06-999 ?-999 ?-999 ? CBD HEM A 142 mSER.A 49 80.79 65.38 -13.08 81.01 66.26 -12.67 81.25 64.63 -15.40 82.47 64.76 -15.19 80.19 65.16 -14.43 79.47 66.39 -14.92 2 0 15.36-999 ?-999 ?-999 ? CGD HEM A 142 mHIS.A 50 80.72 64.00 -16.44 79.72 63.98 -16.40 82.42 64.49 -18.10 81.95 65.57 -18.42 81.50 63.40 -17.53 80.69 62.76 -18.68 3 0 16.87-999 ?-999 ?-999 ? CBD HEM A 142 mGLY.A 51 83.68 64.11 -18.12 83.78 63.19 -17.76 85.22 66.01 -17.68 86.04 66.90 -18.02 84.81 64.89 -18.60-999.99-999.99-999.99 1 0 15.72-999 ?-999 ?-999 ? O1D HEM A 142 mSER.A 52 84.67 65.98 -16.47 84.03 65.24 -16.28 86.59 67.10 -15.59 87.22 66.04 -15.69 85.06 67.06 -15.52 84.54 66.76 -14.14 2 0 12.85-999 ?-999 ?-999 ? O1D HEM A 142 mALA~A 53 87.14 68.28 -15.55 86.47 69.02 -15.52 89.15 67.94 -14.21 90.27 67.40 -14.13 88.60 68.45 -15.55 88.96 69.91 -15.76 2 0 11.46-999 ?-999 ?-999 ? O1D HEM A 142 mGLN~A 54 88.32 68.14 -13.18 87.46 68.60 -13.41 89.00 66.18 -11.81 89.96 65.75 -11.17 88.73 67.70 -11.82 87.73 68.04 -10.74 2 0 7.87-999 ?-999 ?-999 ? O1D HEM A 142 mVAL~A 55 88.13 65.45 -12.49 87.41 65.99 -12.94 89.40 63.64 -13.49 90.11 62.67 -13.23 88.23 64.00 -12.58 86.93 63.37 -13.08 3 0 9.08-999 ?-999 ?-999 ? O1D HEM A 142 mLYS~A 56 89.54 64.43 -14.53 88.88 65.17 -14.60 91.98 64.34 -14.74 92.95 63.59 -14.89 90.66 64.13 -15.48 90.60 65.07 -16.65 2 0 11.06-999 ?-999 ?-999 ? O1D HEM A 142 mGLY~A 57 91.99 65.42 -13.96 91.13 65.92 -13.94 93.49 64.79 -12.14 94.60 64.31 -12.02 93.19 65.80 -13.22-999.99-999.99-999.99 1 0 8.53-999 ?-999 ?-999 ? O1D HEM A 142 mHIS~A 58 92.42 64.47 -11.41 91.57 64.92 -11.64 93.10 62.18 -10.92 94.04 61.57 -10.37 92.60 63.47 -10.33 91.38 63.31 -9.40 3 0 6.38-999 ?-999 ?-999 ? O1D HEM A 142 mGLY~A 59 92.49 61.72 -12.00 91.77 62.33 -12.33 94.32 60.42 -13.06 94.98 59.37 -13.15 92.86 60.45 -12.63-999.99-999.99-999.99 1 0 8.54-999 ?-999 ?-999 ? C4A HEM A 142 mLYS~A 60 94.86 61.60 -13.35 94.25 62.38 -13.26 97.19 61.40 -12.60 98.15 60.61 -12.64 96.29 61.64 -13.79 96.46 62.93 -14.53 2 0 8.24-999 ?-999 ?-999 ? CMA HEM A 142 mLYS~A 61 96.87 62.00 -11.47 96.07 62.58 -11.56 97.64 60.38 -9.81 98.66 59.84 -9.37 97.62 61.83 -10.23 96.98 62.63 -9.10 2 0 4.63-999 ?-999 ?-999 ? CMA HEM A 142 mVAL~A 62 96.47 59.76 -9.86 95.73 60.36 -10.16 97.16 57.50 -10.49 97.89 56.63 -9.97 96.31 58.34 -9.52 94.84 57.88 -9.43 3 0 4.37-999 ?-999 ?-999 ? CHB HEM A 142 mALA~A 63 97.13 57.76 -11.79 96.53 58.51 -12.06 99.46 57.08 -12.44 100.28 56.12 -12.54 97.98 56.93 -12.70 97.58 57.27 -14.14 2 0 6.88-999 ?-999 ?-999 ? CMB HEM A 142 mASP~A 64 99.84 58.32 -12.10 99.09 58.98 -12.09 101.74 57.90 -10.58 102.89 57.43 -10.63 101.25 58.65 -11.80 101.46 60.15 -11.69 2 0 6.89-999 ?-999 ?-999 ? CMA HEM A 142 mALA~A 65 100.90 57.81 -9.55 100.03 58.26 -9.68 101.55 55.60 -8.66 102.51 54.95 -8.20 101.34 57.06 -8.33 100.37 57.27 -7.21 2 0 5.09-999 ?-999 ?-999 ? CMB HEM A 142 mLEU~A 66 100.64 55.04 -9.47 99.90 55.67 -9.74 102.00 53.49 -10.72 102.73 52.53 -10.47 100.71 53.66 -9.92 99.43 53.24 -10.62 3 0 5.45-999 ?-999 ?-999 ? CMB HEM A 142 mTHR~A 67 102.26 54.41 -11.66 101.58 55.13 -11.78 104.72 54.22 -11.49 105.65 53.39 -11.53 103.54 54.26 -12.45 103.62 55.47 -13.44 2 0 9.05-999 ?-999 ?-999 ? CMB HEM A 142 mASN~A 68 104.72 55.16 -10.55 103.96 55.82 -10.61 105.79 53.85 -8.79 106.89 53.35 -8.50 105.76 55.20 -9.52 105.52 56.39 -8.58 2 0 9.26-999 ?-999 ?-999 ? CMB HEM A 142 mALA~A 69 104.64 53.27 -8.47 103.82 53.77 -8.76 105.13 50.83 -8.56 105.66 49.88 -7.96 104.58 52.00 -7.75 103.14 51.64 -7.30 2 0 8.26-999 ?-999 ?-999 ? CMB HEM A 142 mVAL~A 70 104.98 50.85 -9.87 104.48 51.65 -10.21 107.04 49.87 -10.80 107.76 48.85 -10.72 105.51 49.75 -10.73 104.87 49.77 -12.13 3 0 11.00-999 ?-999 ?-999 ? CMB HEM A 142 mALA~A 71 107.52 51.10 -10.94 106.82 51.81 -11.01 109.64 50.87 -9.70 110.75 50.30 -9.79 108.96 51.37 -10.97 109.21 52.84 -11.22 2 0 13.33-999 ?-999 ?-999 ? CMB HEM A 142 mHIS.A 72 109.04 51.05 -8.55 108.16 51.52 -8.65 108.86 49.42 -6.67 108.67 49.34 -5.43 109.60 50.59 -7.26 109.51 51.76 -6.19 3 0 13.31-999 ?-999 ?-999 ? CMB HEM A 142 mVAL~A 73 108.43 48.49 -7.49 108.70 48.67 -8.43 108.29 46.62 -5.88 107.59 45.97 -5.08 107.66 47.34 -7.05 107.32 46.43 -8.25 3 0 13.16-999 ?-999 ?-999 ? CMB HEM A 142 mASP~A 74 109.59 46.72 -5.76 110.01 47.31 -6.45 110.39 46.84 -3.42 110.84 46.30 -2.38 110.33 46.01 -4.69 111.66 45.45 -5.15 2 0 16.12-999 ?-999 ?-999 ? CMB HEM A 142 mASP~A 75 109.94 48.07 -3.50 109.64 48.37 -4.41 108.80 49.88 -2.26 109.03 51.10 -2.08 109.93 48.87 -2.27 111.31 49.44 -1.96 2 0 14.76-999 ?-999 ?-999 ? CMB HEM A 142 mMET~A 76 107.58 49.36 -2.44 107.57 48.37 -2.57 106.22 50.97 -1.15 105.95 52.18 -1.15 106.38 50.19 -2.44 105.15 49.34 -2.75 2 0 11.11-999 ?-999 ?-999 ? CMB HEM A 142 mPRO~A 77 106.41 50.32 -0.02 106.65 49.35 -0.15 106.94 52.33 1.33 106.34 53.38 1.63 106.26 50.98 1.29 106.80 49.96 2.29 3 0 12.45-999 ?-999 ?-999 ? CMB HEM A 142 mASN~A 78 108.22 52.32 0.98 108.59 51.42 0.72 108.60 54.44 -0.18 108.40 55.65 0.02 108.99 53.58 1.00 110.49 53.33 1.24 2 0 13.88-999 ?-999 ?-999 ? CMB HEM A 142 mALA~A 79 108.46 53.85 -1.36 108.62 52.86 -1.36 106.77 55.35 -2.38 106.60 56.45 -2.94 108.10 54.66 -2.53 108.18 53.76 -3.76 2 0 11.51-999 ?-999 ?-999 ? CMB HEM A 142 mLEU.A 80 105.81 54.77 -1.65 106.11 53.91 -1.24 104.22 55.95 -0.12 103.07 56.38 0.14 104.47 55.31 -1.47 103.47 54.16 -1.74 3 0 8.64-999 ?-999 ?-999 ? CMB HEM A 142 mSER~A 81 105.22 56.03 0.73 106.07 55.70 0.32 104.34 57.83 2.32 103.47 57.88 3.23 105.14 56.56 2.09 106.52 56.65 2.73 2 0 11.23-999 ?-999 ?-999 ? CMA HEM A 142 mALA~A 82 104.57 58.90 1.58 105.29 58.77 0.89 102.35 59.92 1.43 101.48 60.62 1.98 103.82 60.13 1.77 104.34 61.31 0.96 2 0 8.78-999 ?-999 ?-999 ? O1A HEM A 142 mLEU~A 83 102.15 59.02 0.46 102.97 58.58 0.09 100.06 57.95 1.12 98.86 58.25 1.31 100.76 58.77 0.02 100.71 58.13 -1.34 3 0 6.63-999 ?-999 ?-999 ? CMA HEM A 142 mSER~A 84 100.78 57.00 1.72 101.72 56.88 1.39 99.81 57.12 4.00 98.82 56.90 4.73 100.11 56.22 2.80 100.90 55.01 3.25 2 0 8.97-999 ?-999 ?-999 ? CHB HEM A 142 mASP~A 85 100.64 58.13 4.19 101.38 58.15 3.52 99.21 59.90 5.03 98.38 60.08 5.93 100.49 59.11 5.27 101.68 60.07 5.36 2 0 10.40-999 ?-999 ?-999 ? CBA HEM A 142 mLEU~A 86 99.13 60.41 3.81 99.89 60.18 3.20 96.62 60.53 3.57 95.62 61.14 3.97 97.97 61.23 3.44 98.20 61.75 2.00 3 0 7.55-999 ?-999 ?-999 ? CBA HEM A 142 mHIS~A 87 96.63 59.28 3.14 97.53 58.99 2.81 95.06 58.11 4.61 93.89 58.31 5.00 95.42 58.44 3.17 95.47 57.22 2.22 3 0 6.66-999 ?-999 ?-999 ? FE HEM A 142 mALA~A 88 96.01 57.69 5.44 96.91 57.63 5.00 95.47 58.57 7.67 94.65 58.42 8.57 95.83 57.36 6.81 97.09 56.74 7.48 2 0 10.35-999 ?-999 ?-999 ? FE HEM A 142 mHIS~A 89 96.10 59.70 7.44 96.69 59.70 6.64 95.00 61.91 7.91 94.46 62.64 8.78 95.89 60.81 8.36 97.24 61.41 8.90 3 0 11.78-999 ?-999 ?-999 ? C4D HEM A 142 mLYS.A 90 94.85 62.03 6.61 95.36 61.37 6.07 92.73 62.52 5.41 91.63 62.77 5.90 93.98 63.08 6.07 94.72 63.95 5.03 2 0 8.97-999 ?-999 ?-999 ? CAD HEM A 142 mLEU.A 91 92.90 61.88 4.28 93.85 61.75 4.01 90.85 60.48 4.29 89.60 60.62 4.29 91.72 61.43 3.52 92.22 60.99 2.15 3 0 5.99-999 ?-999 ?-999 ? C2D HEM A 142 mARG.A 92 91.46 59.51 4.91 92.45 59.53 4.76 89.62 57.82 5.01 88.49 57.70 5.57 90.76 58.50 5.71 90.31 59.21 7.05 2 0 8.16-999 ?-999 ?-999 ? CHD HEM A 142 mVAL.A 93 89.86 57.32 3.81 90.78 57.55 3.52 88.74 55.13 3.57 89.75 54.43 3.79 88.92 56.53 2.98 89.56 56.41 1.56 3 0 5.45-999 ?-999 ?-999 ? CAC HEM A 142 mASP.A 94 87.52 54.67 3.82 86.78 55.31 3.62 88.01 52.33 3.36 87.74 52.40 2.16 87.35 53.31 4.34 85.87 52.92 4.40 2 0 7.65-999 ?-999 ?-999 ? CAC HEM A 142 mPRO~A 95 88.78 51.41 3.89 88.86 51.49 4.89 88.57 49.67 2.09 89.20 49.26 1.07 89.44 50.40 3.08 90.00 49.45 4.16 3 0 7.38-999 ?-999 ?-999 ? CMC HEM A 142 mVAL~A 96 87.27 49.43 2.24 86.88 49.76 3.10 86.63 49.48 -0.15 86.60 48.81 -1.20 86.53 48.72 1.17 85.04 48.44 1.47 3 0 7.73-999 ?-999 ?-999 ? CMC HEM A 142 mASN~A 97 86.68 50.79 -0.17 86.67 51.21 0.75 87.90 51.19 -2.36 87.76 51.32 -3.57 86.74 51.54 -1.44 86.66 53.03 -1.13 2 0 4.39-999 ?-999 ?-999 ? CMC HEM A 142 mPHE~A 98 89.05 50.84 -1.82 89.02 50.84 -0.82 89.89 49.30 -3.49 90.35 49.23 -4.63 90.24 50.47 -2.58 91.50 50.21 -1.75 3 0 3.81-999 ?-999 ?-999 ? CMC HEM A 142 mLYS~A 99 89.08 48.40 -2.94 88.78 48.59 -2.00 87.80 47.65 -4.88 87.89 47.07 -5.98 88.69 47.21 -3.74 88.24 46.08 -2.84 2 0 7.07-999 ?-999 ?-999 ? CMC HEM A 142 mLEU~A 100 86.99 48.67 -4.69 87.04 49.04 -3.77 86.90 49.84 -6.88 86.57 49.57 -8.04 86.11 49.21 -5.76 85.05 50.10 -5.14 3 0 6.66-999 ?-999 ?-999 ? CMC HEM A 142 mLEU~A 101 87.92 50.63 -6.56 88.06 50.72 -5.58 89.63 50.25 -8.28 89.79 50.33 -9.49 88.75 51.29 -7.57 89.58 52.43 -6.95 3 0 5.30-999 ?-999 ?-999 ? CMC HEM A 142 mSER~A 102 90.17 49.31 -7.53 89.96 49.38 -6.55 90.18 47.55 -9.23 90.71 47.28 -10.33 91.01 48.28 -8.16 91.64 47.37 -7.14 2 0 6.23-999 ?-999 ?-999 ? CBB HEM A 142 mHIS~A 103 88.93 47.22 -8.92 88.65 47.51 -8.01 87.89 47.35 -11.13 88.01 46.82 -12.27 88.07 46.51 -9.87 86.70 46.08 -9.30 3 0 9.98-999 ?-999 ?-999 ? CBB HEM A 142 mCYH~A 104 87.58 48.60 -10.96 87.50 48.85 -9.99 88.64 49.75 -12.90 88.56 50.07 -14.11 87.37 49.51 -12.11 86.73 50.83 -11.64 2 0 10.21-999 ?-999 ?-999 ? CBB HEM A 142 mLEU~A 105 89.83 49.64 -12.34 89.78 49.46 -11.36 91.24 48.51 -13.94 91.71 48.63 -15.06 91.08 49.78 -13.09 92.29 49.93 -12.18 3 0 8.51-999 ?-999 ?-999 ? CBB HEM A 142 mLEU~A 106 90.94 47.35 -13.37 90.64 47.41 -12.41 90.09 46.23 -15.36 90.41 45.75 -16.44 91.06 46.11 -14.18 90.79 44.86 -13.36 3 0 11.08-999 ?-999 ?-999 ? CBB HEM A 142 mVAL~A 107 88.90 46.80 -15.10 88.78 47.13 -14.16 88.46 47.75 -17.31 88.35 47.31 -18.46 87.88 46.89 -16.18 86.47 47.29 -15.73 3 0 13.60-999 ?-999 ?-999 ? CBB HEM A 142 mTHR~A 108 89.04 48.85 -16.92 88.99 48.96 -15.93 90.75 49.17 -18.71 90.79 49.32 -19.93 89.67 49.80 -17.87 90.12 51.09 -17.06 2 0 13.23-999 ?-999 ?-999 ? CBB HEM A 142 mLEU~A 109 91.65 48.44 -18.08 91.47 48.43 -17.10 92.25 46.67 -19.58 92.80 46.57 -20.68 92.77 47.74 -18.64 93.71 47.22 -17.55 3 0 13.63-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 110 91.27 45.90 -19.14 90.99 46.08 -18.20 90.14 45.49 -21.30 90.37 44.91 -22.39 90.69 44.87 -20.00 89.60 44.12 -19.26 2 0 16.48-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 111 89.39 46.57 -21.20 89.33 46.89 -20.26 89.67 47.96 -23.26 89.25 48.38 -24.36 88.72 47.24 -22.31 87.68 48.25 -21.81 2 0 18.20-999 ?-999 ?-999 ? CBB HEM A 142 mHIS~A 112 90.90 48.13 -22.88 91.06 47.74 -21.97 93.10 47.90 -24.02 93.87 48.41 -24.86 91.93 48.81 -23.66 92.57 50.05 -22.93 3 0 18.23-999 ?-999 ?-999 ? CBB HEM A 142 mLEU.A 113 93.29 46.73 -23.50 92.55 46.49 -22.88 93.99 44.41 -23.98 94.38 43.51 -23.22 94.44 45.86 -23.77 95.43 45.91 -22.61 3 0 18.92-999 ?-999 ?-999 ? CBB HEM A 142 mPRO.A 114 93.20 44.21 -25.02 93.02 45.03 -25.56 93.74 41.83 -25.45 93.63 40.75 -24.82 92.67 42.88 -25.32 91.76 43.08 -26.52 3 0 21.65-999 ?-999 ?-999 ? CBB HEM A 142 mALA.A 115 94.78 42.07 -26.22 94.73 42.98 -26.64 96.70 40.89 -25.20 97.12 39.74 -24.97 95.87 41.16 -26.46 96.75 41.75 -27.53 2 0 23.35-999 ?-999 ?-999 ? CBB HEM A 142 mGLU.A 116 96.93 41.91 -24.41 96.49 42.74 -24.74 97.02 41.32 -21.96 97.71 40.70 -21.09 97.72 41.85 -23.19 98.26 43.26 -22.90 2 0 20.35-999 ?-999 ?-999 ? CBB HEM A 142 mPHE.A 117 95.72 41.46 -21.84 95.32 41.89 -22.65 94.60 39.58 -20.62 93.42 39.23 -20.67 94.95 41.04 -20.66 93.71 41.91 -20.45 3 0 18.57-999 ?-999 ?-999 ? CBB HEM A 142 mTHR.A 118 95.63 38.77 -20.50 96.51 39.24 -20.50 95.13 36.95 -18.95 95.27 37.77 -18.01 95.45 37.31 -20.39 96.79 36.63 -20.92 2 0 20.06-999 ?-999 ?-999 ? CBC HEM B 147 mPRO~A 119 94.73 35.71 -18.74 94.70 35.14 -19.56 95.49 35.50 -16.41 95.26 36.06 -15.32 94.36 35.28 -17.38 94.00 33.80 -17.53 3 0 16.61-999 ?-999 ?-999 ? CBC HEM B 147 mALA~A 120 96.68 35.11 -16.78 96.67 34.74 -17.71 98.22 36.66 -15.59 98.68 36.96 -14.47 97.88 35.22 -15.93 99.01 34.54 -16.72 2 0 18.44-999 ?-999 ?-999 ? CBC HEM B 147 mVAL~A 121 98.01 37.57 -16.52 97.60 37.19 -17.35 97.26 39.63 -15.43 97.58 40.49 -14.59 98.35 38.99 -16.32 98.52 39.69 -17.66 3 0 17.31-999 ?-999 ?-999 ? CBB HEM A 142 mHIS~A 122 96.04 39.20 -15.70 96.03 38.57 -16.48 95.14 39.29 -13.46 95.05 40.13 -12.56 94.85 39.62 -14.93 93.63 38.81 -15.43 3 0 15.67-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 123 95.54 38.05 -13.22 95.59 37.50 -14.06 96.97 38.35 -11.24 96.88 38.75 -10.07 95.87 37.54 -11.89 96.13 36.04 -12.00 2 0 16.12-999 ?-999 ?-999 ? CBB HEM A 142 mSER~A 124 97.99 38.73 -12.01 97.90 38.43 -12.95 98.70 40.92 -11.11 99.10 41.44 -10.05 99.12 39.53 -11.51 100.21 39.62 -12.63 2 0 14.69-999 ?-999 ?-999 ? CBB HEM A 142 mLEU~A 125 97.92 41.52 -11.99 97.71 40.95 -12.78 96.50 42.94 -10.59 96.56 43.92 -9.83 97.41 42.88 -11.82 96.75 43.33 -13.13 3 0 11.49-999 ?-999 ?-999 ? CBB HEM A 142 mASP~A 126 95.64 41.95 -10.44 95.68 41.27 -11.18 95.59 41.94 -7.98 95.24 42.70 -7.09 94.73 41.89 -9.28 93.87 40.63 -9.26 2 0 11.14-999 ?-999 ?-999 ? CBB HEM A 142 mLYS~A 127 96.60 41.11 -7.94 96.69 40.57 -8.77 98.29 42.30 -6.56 98.55 42.71 -5.41 97.51 41.02 -6.78 98.51 39.87 -6.92 2 0 11.82-999 ?-999 ?-999 ? CBB HEM A 142 mPHE~A 128 98.66 42.95 -7.66 98.35 42.54 -8.52 98.68 45.31 -6.91 99.19 46.01 -6.04 99.47 44.19 -7.56 100.12 44.49 -8.92 3 0 9.58-999 ?-999 ?-999 ? CBB HEM A 142 mLEU~A 129 97.45 45.50 -7.35 97.22 44.86 -8.09 96.12 46.24 -5.43 96.00 47.15 -4.59 96.50 46.51 -6.88 95.33 46.71 -7.84 3 0 6.27-999 ?-999 ?-999 ? CBB HEM A 142 mALA~A 130 95.98 44.98 -5.09 96.08 44.36 -5.86 96.90 45.00 -2.84 96.72 45.43 -1.67 95.70 44.59 -3.70 95.44 43.09 -3.65 2 0 8.35-999 ?-999 ?-999 ? CBB HEM A 142 mSER~A 131 98.12 44.91 -3.39 98.13 44.59 -4.34 99.42 46.79 -2.48 99.78 47.25 -1.40 99.31 45.27 -2.62 100.64 44.74 -3.14 2 0 9.14-999 ?-999 ?-999 ? CBB HEM A 142 mVAL~A 132 99.13 47.45 -3.61 98.90 46.93 -4.43 98.18 49.29 -2.39 98.42 50.20 -1.61 99.19 48.91 -3.47 98.92 49.62 -4.81 3 0 6.12-999 ?-999 ?-999 ? CBB HEM A 142 mSER~A 133 97.03 48.62 -2.43 96.98 47.90 -3.13 96.39 48.75 -0.05 96.09 49.57 0.82 95.95 48.96 -1.49 94.65 48.20 -1.80 2 0 5.81-999 ?-999 ?-999 ? CAB HEM A 142 mTHR~A 134 97.06 47.63 0.17 97.18 47.06 -0.64 98.54 48.35 1.96 98.51 48.81 3.09 97.57 47.30 1.52 98.20 45.86 1.49 2 0 9.42-999 ?-999 ?-999 ? CAB HEM A 142 mVAL~A 135 99.38 48.83 1.03 99.28 48.42 0.12 99.64 51.15 1.83 99.99 51.78 2.86 100.34 49.88 1.42 101.44 50.03 0.34 3 0 9.34-999 ?-999 ?-999 ? CAB HEM A 142 mLEU~A 136 98.68 51.56 1.01 98.52 50.95 0.24 97.15 52.81 2.51 96.83 53.91 2.98 97.93 52.80 1.22 97.10 53.07 -0.06 3 0 7.17-999 ?-999 ?-999 ? CAB HEM A 142 mTHR.A 137 96.74 51.67 3.05 97.03 50.84 2.56 96.74 51.13 5.42 96.19 50.83 6.49 95.92 51.71 4.28 94.58 50.89 4.08 2 0 9.37-999 ?-999 ?-999 ? CHC HEM A 142 mSER.A 138 98.03 50.94 5.20 98.33 51.23 4.30 99.05 51.18 7.48 99.37 50.59 8.54 98.92 50.34 6.20 100.32 50.08 5.63 2 0 12.47-999 ?-999 ?-999 ? CAB HEM A 142 mLYS.A 139 98.85 52.45 7.41 98.60 52.73 6.49 97.69 53.87 9.16 97.65 54.85 9.93 98.99 53.35 8.57 99.88 54.52 8.13 2 0 13.96-999 ?-999 ?-999 ? FE HEM A 142 mTYR.A 140 96.60 53.18 8.88 96.76 52.38 8.31 95.13 53.60 10.90 94.46 54.48 11.51 95.28 53.58 9.39 94.23 52.72 8.68 3 0 13.50-999 ?-999 ?-999 ? C1C HEM A 142 mARG.A 141 95.75 52.60 11.51 96.23 51.98 10.88 96.80 51.54 13.51 97.51 50.89 12.69 95.70 52.45 12.98 94.32 51.99 13.41 2 0 15.75-999 ?-999 ?-999 ? CBC HEM D 147 mMET.B 1 68.02 46.31 -6.83 67.97 46.56 -5.86 66.98 46.66 -9.02 65.87 46.16 -9.26 68.10 45.95 -8.26 68.04 44.45 -8.47 2 0 15.39-999 ?-999 ?-999 ? CBB HEM B 147 mHIS.B 2 67.33 47.89 -9.38 68.24 48.19 -9.09 67.15 49.10 -11.43 68.13 49.84 -11.33 66.38 48.68 -10.16 65.77 49.93 -9.51 3 0 18.35-999 ?-999 ?-999 ? CBB HEM B 147 mLEU.B 3 66.62 48.60 -12.53 65.84 48.00 -12.39 66.26 49.98 -14.46 65.06 49.69 -14.57 67.21 48.97 -13.82 67.40 47.75 -14.72 3 0 18.29-999 ?-999 ?-999 ? CBB HEM B 147 mTHR.B 4 66.83 51.08 -14.85 67.80 51.14 -14.60 65.75 51.44 -16.94 66.42 50.45 -17.27 66.01 52.10 -15.59 66.86 53.41 -15.67 2 0 21.85-999 ?-999 ?-999 ? CBB HEM B 147 mPRO~B 5 64.79 51.94 -17.71 64.34 52.75 -17.32 65.63 51.24 -19.96 65.79 50.32 -20.78 64.45 51.34 -19.01 63.32 52.22 -19.54 3 0 22.91-999 ?-999 ?-999 ? CBB HEM B 147 mGLU~B 6 66.50 52.22 -19.88 66.26 52.89 -19.17 68.72 51.29 -20.26 69.40 50.72 -21.13 67.69 52.33 -20.70 68.35 53.68 -20.71 2 0 22.91-999 ?-999 ?-999 ? CBB HEM B 147 mGLU~B 7 68.84 51.06 -18.97 68.23 51.60 -18.39 69.47 48.69 -18.98 70.35 47.94 -19.41 69.83 50.07 -18.49 69.91 50.01 -16.96 2 0 19.37-999 ?-999 ?-999 ? CBB HEM B 147 mLYS~B 8 68.19 48.41 -18.91 67.67 49.17 -18.51 67.93 46.94 -20.82 68.28 45.83 -21.24 67.59 47.16 -19.34 66.08 47.13 -19.23 2 0 18.22-999 ?-999 ?-999 ? CBB HEM B 147 mSER~B 9 67.78 48.01 -21.58 67.46 48.82 -21.09 69.52 47.57 -23.29 69.85 46.73 -24.13 68.07 47.91 -23.04 67.67 49.21 -23.73 2 0 20.45-999 ?-999 ?-999 ? CBB HEM B 147 mALA~B 10 70.38 48.27 -22.57 69.93 48.91 -21.95 72.24 46.71 -22.32 73.07 46.06 -22.98 71.84 48.13 -22.68 72.56 49.10 -21.73 2 0 19.22-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 11 71.61 46.22 -21.25 70.93 46.83 -20.83 71.65 43.83 -21.85 72.43 42.94 -22.16 71.98 44.85 -20.79 71.37 44.61 -19.40 3 0 15.56-999 ?-999 ?-999 ? CBB HEM B 147 mTHR~B 12 70.46 43.99 -22.37 70.02 44.82 -22.01 70.52 43.07 -24.68 70.75 41.97 -25.21 69.82 43.10 -23.34 68.30 43.58 -23.44 2 0 16.79-999 ?-999 ?-999 ? CBB HEM B 147 mALA~B 13 70.82 44.24 -25.17 70.51 44.99 -24.59 72.90 43.76 -26.43 73.30 43.06 -27.39 71.53 44.41 -26.45 71.64 45.88 -26.77 2 0 19.36-999 ?-999 ?-999 ? CBB HEM B 147 mLEU~B 14 73.66 44.01 -25.36 73.27 44.61 -24.65 74.91 41.88 -25.21 75.71 41.13 -25.81 74.99 43.38 -25.32 75.83 44.03 -24.20 3 0 17.32-999 ?-999 ?-999 ? CBB HEM B 147 mTRP~B 15 73.95 41.43 -24.39 73.37 42.13 -23.98 73.47 39.24 -25.41 73.82 38.07 -25.52 73.81 40.01 -24.13 72.87 39.71 -22.97 3 0 14.66-999 ?-999 ?-999 ? CBB HEM B 147 mGLY~B 16 72.86 39.89 -26.37 72.69 40.86 -26.15 73.69 38.90 -28.50 73.62 38.07 -29.44 72.48 39.20 -27.63-999.99-999.99-999.99 1 0 17.72-999 ?-999 ?-999 ? CBB HEM B 147 mLYS~B 17 74.80 39.54 -28.21 74.69 40.21 -27.48 76.96 38.33 -28.12 78.07 38.05 -28.62 76.06 39.29 -28.92 76.88 40.57 -29.08 2 0 18.59-999 ?-999 ?-999 ? CBB HEM B 147 mVAL.B 18 76.58 37.88 -26.92 75.67 38.18 -26.64 77.31 35.57 -26.49 76.17 35.07 -26.58 77.45 37.03 -26.11 77.17 37.23 -24.59 3 0 15.30-999 ?-999 ?-999 ? CBB HEM B 147 mASN.B 19 78.46 34.93 -26.62 79.26 35.52 -26.52 78.70 32.84 -25.49 79.83 32.83 -25.00 78.49 33.45 -26.90 79.49 33.13 -27.96 2 0 15.72-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 20 77.60 32.39 -24.90 76.80 32.42 -25.50 78.67 30.94 -23.17 79.37 30.91 -22.17 77.56 31.89 -23.51 76.14 31.33 -23.27 3 0 12.17-999 ?-999 ?-999 ? CMB HEM B 147 mASP~B 21 78.78 30.00 -24.08 78.11 30.13 -24.81 81.12 29.49 -23.77 81.75 29.14 -22.79 79.72 28.92 -24.10 79.75 28.30 -25.52 2 0 13.39-999 ?-999 ?-999 ? CMA HEM B 147 mGLU~B 22 81.53 30.30 -24.73 80.82 30.43 -25.41 83.08 31.78 -23.59 84.14 31.65 -22.95 82.83 30.92 -24.82 83.00 31.77 -26.07 2 0 15.19-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 23 82.10 32.62 -23.33 81.33 32.55 -23.96 82.12 32.88 -20.87 82.81 33.26 -19.91 82.20 33.58 -22.21 81.11 34.64 -22.44 3 0 12.42-999 ?-999 ?-999 ? CBB HEM B 147 mGLY~B 24 81.31 31.87 -20.79 80.83 31.70 -21.65 82.43 30.40 -19.19 82.80 30.42 -17.99 81.12 31.06 -19.60-999.99-999.99-999.99 1 0 9.86-999 ?-999 ?-999 ? CBB HEM B 147 mGLY~B 25 83.10 29.75 -20.13 82.66 29.81 -21.03 85.46 30.01 -19.52 86.34 29.76 -18.64 84.37 29.03 -19.89-999.99-999.99-999.99 1 0 12.34-999 ?-999 ?-999 ? CHC HEM B 147 mGLU~B 26 85.43 31.17 -20.18 84.70 31.26 -20.87 86.22 32.79 -18.48 87.26 33.08 -17.82 86.40 32.20 -19.87 86.38 33.35 -20.87 2 0 13.02-999 ?-999 ?-999 ? CMC HEM B 147 mALA~B 27 84.99 33.03 -18.07 84.30 32.76 -18.74 85.04 32.64 -15.65 85.70 32.99 -14.67 84.71 33.65 -16.74 83.29 34.15 -16.65 2 0 9.80-999 ?-999 ?-999 ? CMC HEM B 147 mLEU~B 28 84.56 31.42 -15.80 83.99 31.29 -16.62 86.38 30.11 -14.70 86.87 29.92 -13.54 84.88 30.39 -14.80 84.04 29.10 -14.90 3 0 7.78-999 ?-999 ?-999 ? CMC HEM B 147 mGLY~B 29 87.09 30.04 -15.81 86.53 30.19 -16.63 89.30 30.93 -15.16 90.25 30.72 -14.41 88.55 29.77 -15.79-999.99-999.99-999.99 1 0 10.40-999 ?-999 ?-999 ? CBC HEM B 147 mARG~B 30 88.87 32.14 -15.44 88.07 32.19 -16.04 89.42 33.29 -13.36 90.34 33.60 -12.60 89.59 33.29 -14.87 89.22 34.63 -15.52 2 0 11.11-999 ?-999 ?-999 ? CBC HEM B 147 mLEU~B 31 88.22 32.92 -12.92 87.57 32.69 -13.64 88.96 31.98 -10.78 89.52 32.36 -9.76 87.91 32.86 -11.49 86.50 32.27 -11.26 3 0 7.68-999 ?-999 ?-999 ? CBC HEM B 147 mLEU~B 32 89.13 30.82 -11.40 88.62 30.76 -12.26 91.43 30.09 -10.90 92.17 29.58 -10.04 89.96 29.72 -10.92 89.64 28.43 -11.66 3 0 8.05-999 ?-999 ?-999 ? CBC HEM B 147 mVAL~B 33 91.76 30.99 -11.79 90.98 31.27 -12.35 93.41 32.67 -11.00 94.49 32.69 -10.37 93.12 31.50 -11.94 93.45 31.85 -13.42 3 0 11.56-999 ?-999 ?-999 ? CBC HEM B 147 mVAL~B 34 92.55 33.67 -10.97 91.74 33.52 -11.55 92.55 34.62 -8.68 93.27 35.25 -7.90 92.78 34.86 -10.15 91.94 36.02 -10.75 3 0 11.85-999 ?-999 ?-999 ? CBC HEM B 147 mTYR.B 35 91.62 33.76 -8.33 91.16 33.35 -9.12 91.29 31.92 -6.81 90.27 31.23 -6.75 91.27 33.44 -6.94 89.89 33.98 -6.55 3 0 9.43-999 ?-999 ?-999 ? CBC HEM B 147 mPRO~B 36 92.52 31.44 -6.79 93.23 32.15 -6.80 92.14 29.24 -5.65 91.92 28.03 -5.73 92.79 30.01 -6.75 94.32 29.96 -6.78 3 0 9.91-999 ?-999 ?-999 ? CBC HEM B 147 mTYR~B 37 91.78 29.95 -4.57 91.97 30.93 -4.60 89.80 28.69 -3.87 89.31 27.71 -3.25 91.15 29.23 -3.42 91.14 30.07 -2.17 3 0 8.99-999 ?-999 ?-999 ? CBC HEM B 147 mTHR~B 38 89.21 29.32 -4.89 89.71 30.10 -5.24 87.95 27.47 -6.07 86.87 26.87 -6.36 87.90 28.84 -5.42 87.26 29.91 -6.40 2 0 5.24-999 ?-999 ?-999 ? CBC HEM B 147 mGLN~B 39 89.15 26.93 -6.27 89.90 27.54 -6.00 88.97 24.52 -5.81 88.77 23.36 -6.21 89.38 25.59 -6.83 90.79 25.33 -7.34 2 0 7.32-999 ?-999 ?-999 ? CBC HEM B 147 mARG~B 40 88.74 24.93 -4.58 88.87 25.91 -4.46 87.12 23.20 -3.87 86.92 22.09 -3.33 88.34 24.01 -3.50 88.10 24.77 -2.19 2 0 8.20-999 ?-999 ?-999 ? CBC HEM B 147 mPHE~B 41 86.26 23.74 -4.72 86.55 24.64 -5.06 85.17 22.16 -6.36 84.20 21.45 -6.65 85.02 23.07 -5.14 83.90 24.08 -5.46 3 0 4.96-999 ?-999 ?-999 ? CMD HEM B 147 mPHE.B 42 86.29 22.21 -7.05 87.00 22.76 -6.61 87.57 20.53 -8.42 88.28 20.43 -9.45 86.39 21.47 -8.34 86.47 22.61 -9.39 3 0 6.08-999 ?-999 ?-999 ? CMD HEM B 147 mGLU~B 43 87.80 19.82 -7.33 87.13 19.97 -6.60 88.89 17.82 -8.30 89.89 17.34 -8.83 88.95 18.90 -7.24 89.08 18.25 -5.86 2 0 9.32-999 ?-999 ?-999 ? CMD HEM B 147 mSER~B 44 87.68 17.41 -8.60 86.96 17.90 -8.11 87.61 16.74 -11.01 87.54 15.89 -11.93 87.43 16.33 -9.57 86.02 15.81 -9.28 2 0 8.86-999 ?-999 ?-999 ? O1D HEM B 147 mPHE~B 45 87.85 18.01 -11.27 87.90 18.57 -10.44 89.39 18.15 -13.18 89.61 18.15 -14.39 88.02 18.53 -12.62 87.77 20.03 -12.71 3 0 8.72-999 ?-999 ?-999 ? O1D HEM B 147 mGLY.B 46 90.26 17.85 -12.25 89.82 17.88 -11.36 92.64 18.58 -11.86 92.49 19.25 -10.82 91.66 17.52 -12.39-999.99-999.99-999.99 1 0 12.43-999 ?-999 ?-999 ? O1D HEM B 147 mASP.B 47 93.72 18.70 -12.65 93.68 18.12 -13.46 94.51 21.00 -12.83 94.28 21.25 -14.01 94.84 19.58 -12.37 96.18 19.07 -12.92 2 0 15.49-999 ?-999 ?-999 ? O1D HEM B 147 mLEU.B 48 94.52 21.84 -11.80 94.76 21.43 -10.91 95.31 24.14 -11.59 95.10 25.33 -11.31 94.17 23.25 -12.03 92.89 23.47 -11.22 3 0 13.57-999 ?-999 ?-999 ? CBC HEM B 147 mSER.B 49 96.48 23.51 -11.58 96.43 22.57 -11.92 98.24 25.26 -12.01 98.98 26.15 -11.50 97.71 24.16 -11.11 98.74 23.13 -10.68 2 0 16.07-999 ?-999 ?-999 ? CBC HEM B 147 mTHR.B 50 97.91 25.30 -13.30 97.31 24.57 -13.63 97.33 27.07 -14.87 96.35 26.39 -15.15 98.48 26.42 -14.10 99.68 25.98 -15.02 2 0 17.26-999 ?-999 ?-999 ? CBC HEM B 147 mPRO~B 51 97.50 28.33 -15.21 98.36 28.73 -14.91 96.13 28.32 -17.23 94.96 28.22 -17.58 96.48 29.07 -15.95 97.09 30.42 -16.27 3 0 16.20-999 ?-999 ?-999 ? CBC HEM B 147 mASP~B 52 97.17 27.81 -17.86 98.05 27.99 -17.41 96.21 25.79 -18.82 95.28 25.48 -19.59 97.04 27.05 -19.11 98.36 26.76 -19.79 2 0 18.65-999 ?-999 ?-999 ? CBC HEM B 147 mALA~B 53 96.55 25.14 -17.72 97.33 25.54 -17.23 94.33 24.22 -17.07 93.46 23.44 -17.50 95.82 23.94 -17.29 96.48 23.36 -16.04 2 0 17.22-999 ?-999 ?-999 ? CBC HEM B 147 mVAL~B 54 94.04 25.30 -16.37 94.86 25.79 -16.10 91.88 26.11 -17.27 90.78 25.60 -17.50 92.69 25.74 -16.02 92.74 26.92 -15.02 3 0 13.64-999 ?-999 ?-999 ? CBC HEM B 147 mMET~B 55 92.45 26.99 -18.06 93.36 27.24 -17.75 91.52 26.52 -20.32 90.54 26.73 -21.05 91.82 27.55 -19.26 92.53 28.77 -19.81 2 0 15.15-999 ?-999 ?-999 ? CBC HEM B 147 mGLY.B 56 92.32 25.45 -20.38 93.06 25.44 -19.71 91.37 23.18 -20.87 91.16 22.20 -21.59 92.10 24.41 -21.39-999.99-999.99-999.99 1 0 16.75-999 ?-999 ?-999 ? O1D HEM B 147 mASN.B 57 90.99 23.20 -19.61 91.23 24.05 -19.14 88.87 22.06 -19.55 88.14 23.06 -19.61 90.28 22.07 -19.00 90.45 22.16 -17.51 2 0 13.38-999 ?-999 ?-999 ? O1D HEM B 147 mPRO~B 58 88.45 20.92 -20.01 89.10 20.17 -19.88 86.01 20.76 -19.64 84.90 21.18 -19.96 87.12 20.81 -20.66 87.25 19.65 -21.59 3 0 11.87-999 ?-999 ?-999 ? O1D HEM B 147 mLYS~B 59 86.34 20.30 -18.45 87.28 19.99 -18.39 85.09 21.69 -16.91 83.92 22.05 -16.70 85.39 20.26 -17.33 85.85 19.43 -16.17 2 0 8.24-999 ?-999 ?-999 ? O1D HEM B 147 mVAL~B 60 86.12 22.51 -16.86 86.99 22.06 -17.06 85.12 24.65 -17.60 84.26 25.54 -17.36 85.96 23.95 -16.54 87.38 24.56 -16.36 3 0 9.39-999 ?-999 ?-999 ? O1D HEM B 147 mLYS~B 61 85.33 24.27 -18.85 86.04 23.57 -18.93 83.13 24.45 -19.94 82.20 25.26 -20.10 84.58 24.84 -20.00 85.18 24.40 -21.33 2 0 11.22-999 ?-999 ?-999 ? O1D HEM B 147 mALA~B 62 82.88 23.17 -19.70 83.69 22.60 -19.60 80.73 23.32 -18.44 79.58 23.69 -18.56 81.48 22.67 -19.60 81.54 21.18 -19.35 2 0 8.78-999 ?-999 ?-999 ? O1D HEM B 147 mHIS~B 63 81.43 23.42 -17.30 82.37 23.09 -17.32 80.45 25.47 -16.35 79.38 25.97 -15.91 80.79 24.01 -16.13 81.60 23.85 -14.83 3 0 6.60-999 ?-999 ?-999 ? O1D HEM B 147 mGLY~B 64 81.35 26.19 -16.99 82.15 25.66 -17.28 79.94 27.82 -18.09 79.21 28.82 -17.91 81.20 27.61 -17.24-999.99-999.99-999.99 1 0 8.46-999 ?-999 ?-999 ? N B HEM B 147 mLYS~B 65 79.74 26.92 -19.02 80.48 26.24 -19.03 77.27 26.73 -19.14 76.28 27.41 -19.45 78.59 26.87 -19.93 78.62 25.63 -20.83 2 0 9.02-999 ?-999 ?-999 ? CMA HEM B 147 mLYS~B 66 77.27 25.80 -18.22 78.16 25.35 -18.15 75.71 26.66 -16.55 74.56 27.07 -16.47 76.11 25.45 -17.38 76.49 24.36 -16.38 2 0 5.40-999 ?-999 ?-999 ? CMA HEM B 147 mVAL~B 67 76.76 27.19 -15.91 77.64 26.74 -16.08 76.03 29.54 -15.78 75.05 30.15 -15.32 76.56 28.36 -15.03 77.91 28.61 -14.30 3 0 3.98-999 ?-999 ?-999 ? CHB HEM B 147 mLEU~B 68 76.67 29.92 -16.89 77.43 29.33 -17.16 74.94 30.91 -18.38 74.32 31.89 -18.77 76.26 31.11 -17.63 77.41 31.53 -18.58 3 0 6.16-999 ?-999 ?-999 ? CMB HEM B 147 mGLY~B 69 74.61 29.62 -18.56 75.28 28.96 -18.23 72.21 29.78 -18.29 71.26 30.46 -18.74 73.33 29.28 -19.21-999.99-999.99-999.99 1 0 7.13-999 ?-999 ?-999 ? CMA HEM B 147 mALA~B 70 72.37 29.49 -17.01 73.24 29.03 -16.85 71.34 31.31 -15.75 70.28 31.89 -15.52 71.39 29.81 -15.95 71.70 29.08 -14.65 2 0 4.74-999 ?-999 ?-999 ? CMB HEM B 147 mPHE~B 71 72.53 31.87 -15.81 73.28 31.22 -15.95 71.85 33.99 -16.76 71.05 34.90 -16.53 72.71 33.32 -15.69 74.20 33.70 -15.75 3 0 4.63-999 ?-999 ?-999 ? CMB HEM B 147 mSER~B 72 72.04 33.55 -17.97 72.73 32.83 -17.98 69.86 33.89 -19.02 69.12 34.83 -19.40 71.37 34.00 -19.18 71.91 33.22 -20.38 2 0 8.26-999 ?-999 ?-999 ? CMB HEM B 147 mASP~B 73 69.35 32.85 -18.40 70.04 32.19 -18.10 67.34 33.73 -17.23 66.16 34.13 -17.32 67.89 32.70 -18.21 67.47 31.28 -17.84 2 0 8.80-999 ?-999 ?-999 ? CMB HEM B 147 mGLY~B 74 68.15 34.12 -16.26 69.05 33.68 -16.29 67.58 36.46 -15.87 66.75 37.22 -15.36 67.77 35.09 -15.26-999.99-999.99-999.99 1 0 8.12-999 ?-999 ?-999 ? CMB HEM B 147 mLEU~B 75 68.35 36.79 -16.89 68.98 36.05 -17.11 66.91 38.24 -18.27 66.48 39.35 -18.57 68.30 38.06 -17.63 69.40 38.08 -18.70 3 0 10.75-999 ?-999 ?-999 ? CMB HEM B 147 mALA~B 76 66.27 37.12 -18.50 66.81 36.31 -18.25 63.90 37.38 -17.97 62.77 37.77 -18.33 64.92 37.03 -19.05 64.67 35.63 -19.57 2 0 12.97-999 ?-999 ?-999 ? CMB HEM B 147 mHIS~B 77 64.27 37.29 -16.71 65.23 37.00 -16.61 63.93 38.54 -14.57 63.85 38.20 -13.36 63.38 37.58 -15.59 63.13 36.27 -14.75 3 0 12.97-999 ?-999 ?-999 ? CMB HEM B 147 mLEU.B 78 64.50 39.62 -14.97 64.49 39.74 -15.96 64.14 41.05 -12.96 64.55 41.67 -11.96 65.10 40.55 -14.01 65.68 41.66 -14.91 3 0 13.26-999 ?-999 ?-999 ? CMB HEM B 147 mASP.B 79 62.86 40.88 -13.14 62.71 40.37 -13.99 61.52 40.42 -11.08 60.91 40.85 -10.06 61.77 41.33 -12.28 60.51 41.54 -13.15 2 0 16.03-999 ?-999 ?-999 ? CMB HEM B 147 mASN.B 80 61.98 39.18 -11.22 62.44 39.02 -12.09 63.04 37.21 -10.15 62.92 35.99 -10.44 61.83 38.15 -10.18 60.52 37.37 -10.40 2 0 14.19-999 ?-999 ?-999 ? CMB HEM B 147 mLEU~B 81 64.17 37.78 -9.77 64.04 38.74 -9.54 65.37 35.99 -8.57 65.78 34.83 -8.68 65.45 37.03 -9.68 66.58 38.06 -9.60 3 0 10.70-999 ?-999 ?-999 ? CMB HEM B 147 mLYS~B 82 64.81 36.46 -7.47 64.53 37.41 -7.57 63.85 34.39 -6.53 64.33 33.26 -6.26 64.63 35.66 -6.26 63.98 36.52 -5.17 2 0 11.88-999 ?-999 ?-999 ? CMB HEM B 147 mGLY~B 83 62.67 34.56 -7.11 62.41 35.51 -7.30 62.51 32.50 -8.48 62.45 31.27 -8.40 61.83 33.38 -7.44-999.99-999.99-999.99 1 0 13.07-999 ?-999 ?-999 ? CMB HEM B 147 mTHR~B 84 63.11 33.15 -9.45 63.05 34.15 -9.38 64.96 31.61 -10.00 65.14 30.48 -10.46 63.79 32.42 -10.54 64.26 33.39 -11.68 2 0 10.25-999 ?-999 ?-999 ? CMB HEM B 147 mPHE~B 85 65.69 32.14 -9.04 65.37 33.03 -8.72 66.63 30.63 -7.25 67.60 29.99 -6.79 66.86 31.41 -8.53 68.08 32.37 -8.40 3 0 7.78-999 ?-999 ?-999 ? CMB HEM B 147 mALA~B 86 65.44 30.65 -6.69 64.77 31.17 -7.23 65.63 28.57 -5.31 66.33 28.21 -4.35 65.13 29.99 -5.42 63.64 30.10 -5.11 2 0 10.91-999 ?-999 ?-999 ? CMB HEM B 147 mTHR~B 87 65.30 27.73 -6.30 64.74 28.12 -7.03 67.26 26.14 -6.30 67.85 25.25 -5.65 65.77 26.33 -6.24 65.04 25.48 -7.38 2 0 8.70-999 ?-999 ?-999 ? O1A HEM B 147 mLEU~B 88 67.95 26.92 -7.13 67.36 27.54 -7.65 70.07 27.41 -6.00 71.16 26.95 -5.60 69.41 26.88 -7.29 69.80 27.70 -8.52 3 0 6.80-999 ?-999 ?-999 ? CHB HEM B 147 mSER~B 89 69.37 28.37 -5.40 68.53 28.62 -5.87 69.84 27.84 -3.09 70.87 27.73 -2.43 69.83 28.96 -4.14 69.02 30.09 -3.58 2 0 8.82-999 ?-999 ?-999 ? C1B HEM B 147 mGLU~B 90 68.76 27.08 -3.01 68.04 27.28 -3.68 69.68 24.94 -2.24 70.29 24.39 -1.30 68.69 26.04 -1.97 67.26 25.52 -1.87 2 0 10.56-999 ?-999 ?-999 ? CBA HEM B 147 mLEU~B 91 69.89 24.64 -3.52 69.31 25.15 -4.15 72.35 24.01 -3.60 73.11 23.18 -3.08 70.89 23.65 -3.95 70.72 23.45 -5.47 3 0 7.34-999 ?-999 ?-999 ? CBA HEM B 147 mHIS~B 92 72.75 25.21 -3.90 72.04 25.73 -4.37 74.38 25.69 -2.10 75.50 25.35 -1.69 74.07 25.75 -3.58 74.26 27.21 -4.12 3 0 6.48-999 ?-999 ?-999 ? FE HEM B 147 mCYH~B 93 73.38 26.01 -1.28 72.55 26.26 -1.77 73.50 24.57 0.76 74.50 24.19 1.39 73.50 25.98 0.17 72.44 26.81 0.85 2 0 10.07-999 ?-999 ?-999 ? CHD HEM B 147 mASP~B 94 72.43 23.81 0.59 71.75 24.24 -0.01 73.04 21.37 0.54 73.43 20.45 1.29 72.25 22.50 1.18 70.75 22.15 1.24 2 0 11.73-999 ?-999 ?-999 ? C3D HEM B 147 mLYS.B 95 73.24 21.42 -0.77 72.87 22.22 -1.25 75.39 20.66 -1.75 76.29 19.81 -1.52 73.97 20.31 -1.40 73.28 19.79 -2.68 2 0 8.83-999 ?-999 ?-999 ? CAD HEM B 147 mLEU.B 96 75.58 21.82 -2.35 74.75 22.37 -2.48 77.80 22.86 -1.67 79.07 22.76 -1.70 76.96 22.22 -2.75 76.78 23.04 -4.04 3 0 5.92-999 ?-999 ?-999 ? CMD HEM B 147 mHIS.B 97 77.21 23.54 -0.70 76.22 23.55 -0.81 78.89 25.25 -0.10 80.06 25.32 0.36 77.91 24.20 0.40 78.68 23.25 1.37 3 0 8.29-999 ?-999 ?-999 ? CMD HEM B 147 mVAL.B 98 78.39 26.06 -1.01 77.43 25.87 -1.23 78.95 28.49 -0.91 77.82 29.07 -0.88 79.17 27.14 -1.63 78.80 27.23 -3.13 3 0 6.13-999 ?-999 ?-999 ? CAC HEM B 147 mASP.B 99 80.04 28.98 -0.36 80.85 28.41 -0.47 79.47 31.30 -0.73 80.10 31.46 -1.79 79.96 30.31 0.34 81.32 30.54 0.90 2 0 7.95-999 ?-999 ?-999 ? CAC HEM B 147 mPRO~B 100 78.34 31.97 -0.47 77.93 31.75 0.41 78.78 33.98 -1.79 78.60 34.70 -2.79 77.78 32.93 -1.41 76.53 33.46 -0.73 3 0 7.70-999 ?-999 ?-999 ? CMC HEM B 147 mGLU~B 101 79.86 34.13 -1.02 79.90 33.55 -0.21 81.39 34.89 -2.84 81.73 35.81 -3.61 80.86 35.17 -1.46 82.04 35.10 -0.48 2 0 7.96-999 ?-999 ?-999 ? CMC HEM B 147 mASN~B 102 81.50 33.61 -3.23 81.24 32.95 -2.53 81.11 33.78 -5.71 81.52 34.06 -6.86 81.97 33.24 -4.59 81.98 31.67 -4.59 2 0 4.42-999 ?-999 ?-999 ? CMC HEM B 147 mPHE~B 103 79.81 34.00 -5.44 79.53 33.77 -4.51 79.30 35.99 -6.78 79.14 36.42 -7.91 78.91 34.54 -6.50 77.44 34.40 -6.18 3 0 4.48-999 ?-999 ?-999 ? CMC HEM B 147 mARG~B 104 79.76 36.70 -5.77 79.76 36.20 -4.90 81.52 38.15 -6.76 81.67 38.99 -7.68 80.22 38.09 -5.95 80.36 38.80 -4.61 2 0 7.58-999 ?-999 ?-999 ? CMC HEM B 147 mLEU~B 105 82.40 37.21 -6.47 82.12 36.57 -5.75 83.41 36.83 -8.65 84.02 37.50 -9.49 83.68 37.15 -7.18 84.63 36.13 -6.54 3 0 6.95-999 ?-999 ?-999 ? CMC HEM B 147 mLEU~B 106 82.57 35.83 -8.88 82.18 35.40 -8.06 81.63 36.58 -11.02 81.93 36.85 -12.18 82.28 35.43 -10.27 81.55 34.08 -10.31 3 0 5.22-999 ?-999 ?-999 ? CMC HEM B 147 mGLY~B 107 80.74 37.32 -10.36 80.56 37.03 -9.43 81.15 39.50 -11.43 81.07 40.05 -12.55 80.10 38.48 -11.01-999.99-999.99-999.99 1 0 6.57-999 ?-999 ?-999 ? CBB HEM B 147 mASN~B 108 82.14 39.78 -10.57 82.12 39.25 -9.72 84.05 40.34 -12.06 84.45 41.20 -12.86 83.14 40.79 -10.93 83.91 41.23 -9.70 2 0 10.30-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 109 84.40 39.07 -12.05 84.02 38.58 -11.27 84.49 38.52 -14.42 85.09 38.86 -15.46 85.26 38.47 -13.09 85.72 37.07 -12.65 3 0 10.07-999 ?-999 ?-999 ? CMC HEM B 147 mLEU~B 110 83.20 38.24 -14.38 82.90 38.01 -13.45 82.36 39.68 -16.17 82.57 39.81 -17.39 82.31 38.28 -15.57 80.89 37.84 -15.25 3 0 9.00-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 111 82.15 40.71 -15.35 81.92 40.46 -14.40 83.62 42.29 -16.58 83.66 42.92 -17.66 82.27 42.08 -15.86 82.07 43.11 -14.73 3 0 11.66-999 ?-999 ?-999 ? CBB HEM B 147 mCYH~B 112 84.72 41.85 -15.99 84.53 41.45 -15.09 86.10 41.22 -17.93 86.71 41.72 -18.89 86.06 41.94 -16.57 87.08 41.21 -15.66 2 0 14.17-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 113 85.47 40.06 -17.98 85.05 39.76 -17.12 84.63 40.01 -20.34 85.06 39.96 -21.52 85.44 39.32 -19.27 85.11 37.84 -19.00 3 0 13.63-999 ?-999 ?-999 ? CBB HEM B 147 mLEU~B 114 83.51 40.68 -20.06 83.26 40.65 -19.09 83.51 42.60 -21.51 83.45 42.97 -22.69 82.73 41.38 -21.07 81.34 41.72 -20.55 3 0 14.28-999 ?-999 ?-999 ? CBB HEM B 147 mALA~B 115 84.26 43.23 -20.61 84.24 42.83 -19.69 86.15 44.00 -22.01 86.44 44.68 -23.02 85.04 44.42 -21.05 85.65 45.17 -19.88 2 0 17.26-999 ?-999 ?-999 ? CBB HEM B 147 mHIS~B 116 86.84 42.95 -21.68 86.53 42.61 -20.79 87.42 42.01 -23.85 88.05 42.38 -24.85 87.91 42.32 -22.43 88.34 40.97 -21.79 3 0 18.52-999 ?-999 ?-999 ? CBB HEM B 147 mHIS~B 117 86.28 41.38 -23.94 85.91 41.21 -23.03 85.05 42.01 -26.08 85.31 41.93 -27.30 85.61 40.95 -25.15 84.49 39.91 -24.83 3 0 18.41-999 ?-999 ?-999 ? CBB HEM B 147 mPHE~B 118 84.31 42.96 -25.57 84.23 42.82 -24.58 84.46 45.32 -26.28 84.11 46.25 -27.06 83.65 44.05 -26.21 82.25 44.35 -25.55 3 0 19.85-999 ?-999 ?-999 ? CBB HEM B 147 mGLY~B 119 85.50 45.47 -25.52 85.67 44.68 -24.92 85.54 47.94 -25.31 84.84 48.10 -24.29 86.34 46.67 -25.55-999.99-999.99-999.99 1 0 22.04-999 ?-999 ?-999 ? CBB HEM B 147 mLYS~B 120 85.67 48.87 -26.26 86.21 48.57 -27.05 83.60 50.26 -26.08 83.11 51.26 -25.53 85.09 50.20 -26.18 85.54 51.19 -27.25 2 0 22.54-999 ?-999 ?-999 ? CBB HEM A 142 mGLU~B 121 82.86 49.29 -26.57 83.39 48.56 -27.00 81.00 49.13 -25.01 79.83 49.46 -24.71 81.40 49.35 -26.46 80.68 48.27 -27.24 2 0 22.71-999 ?-999 ?-999 ? CBB HEM B 147 mPHE.B 122 81.90 48.58 -24.20 82.76 48.38 -24.66 81.89 49.56 -21.93 82.79 49.72 -21.07 81.60 48.31 -22.76 82.25 47.00 -22.29 3 0 19.67-999 ?-999 ?-999 ? CBB HEM B 147 mTHR.B 123 81.06 50.57 -22.17 80.34 50.31 -22.82 80.77 51.94 -20.11 80.11 51.03 -19.62 81.15 51.90 -21.58 80.19 52.82 -22.45 2 0 19.94-999 ?-999 ?-999 ? CBC HEM A 142 mPRO~B 124 81.21 52.98 -19.43 81.74 53.62 -20.00 79.52 52.92 -17.64 79.26 52.10 -16.76 80.96 53.18 -17.99 81.49 54.58 -17.70 3 0 16.43-999 ?-999 ?-999 ? CBC HEM A 142 mPRO~B 125 78.57 53.52 -18.35 78.92 54.15 -19.04 76.75 51.84 -18.36 75.84 51.38 -17.65 77.15 53.28 -18.13 76.43 54.22 -19.14 3 0 18.29-999 ?-999 ?-999 ? CBC HEM A 142 mVAL~B 126 77.32 51.15 -19.34 78.02 51.64 -19.86 77.42 48.88 -18.44 76.71 47.94 -18.01 76.93 49.75 -19.59 77.40 49.26 -20.95 3 0 18.49-999 ?-999 ?-999 ? CBB HEM B 147 mGLN~B 127 78.63 49.20 -18.02 79.07 49.94 -18.53 78.36 48.70 -15.62 78.02 47.77 -14.91 79.24 48.48 -16.88 80.67 48.93 -16.55 2 0 16.52-999 ?-999 ?-999 ? CBB HEM B 147 mALA~B 128 78.00 49.96 -15.35 78.33 50.65 -15.99 75.92 49.35 -14.15 75.50 48.86 -13.11 77.17 50.25 -14.17 76.78 51.73 -14.15 2 0 16.06-999 ?-999 ?-999 ? CBC HEM A 142 mALA~B 129 75.27 49.21 -15.28 75.70 49.74 -16.01 74.41 46.96 -15.28 73.66 46.27 -14.55 74.07 48.42 -15.50 73.52 48.71 -16.91 2 0 15.90-999 ?-999 ?-999 ? CBB HEM B 147 mTYR~B 130 75.54 46.48 -15.80 76.08 47.12 -16.34 76.25 44.81 -14.06 76.05 43.71 -13.55 75.90 45.05 -15.53 77.02 44.58 -16.48 3 0 12.56-999 ?-999 ?-999 ? CBB HEM B 147 mGLN~B 131 76.81 45.82 -13.40 76.95 46.63 -13.96 75.87 45.52 -11.18 75.86 44.72 -10.24 77.17 45.75 -11.99 77.96 46.92 -11.45 2 0 12.59-999 ?-999 ?-999 ? CBB HEM B 147 mLYS~B 132 74.81 46.24 -11.55 74.97 46.89 -12.30 73.02 44.64 -11.05 72.48 44.03 -10.12 73.53 46.06 -10.86 72.45 47.00 -11.36 2 0 13.12-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 133 73.17 44.13 -12.29 73.62 44.71 -12.97 73.46 41.72 -11.80 72.82 40.81 -11.27 72.68 42.77 -12.55 72.61 42.47 -14.07 3 0 10.24-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 134 74.80 41.75 -11.82 75.20 42.52 -12.30 75.32 40.65 -9.62 75.33 39.58 -9.01 75.54 40.66 -11.13 77.02 40.62 -11.58 3 0 7.48-999 ?-999 ?-999 ? CBB HEM B 147 mALA~B 135 75.11 41.81 -9.03 75.18 42.59 -9.65 73.39 41.32 -7.33 73.19 40.61 -6.34 74.78 41.92 -7.61 74.79 43.37 -7.18 2 0 9.57-999 ?-999 ?-999 ? CBB HEM B 147 mGLY~B 136 72.45 41.63 -8.24 72.78 42.20 -8.99 71.02 39.63 -8.10 70.33 38.96 -7.34 71.06 41.16 -8.11-999.99-999.99-999.99 1 0 9.99-999 ?-999 ?-999 ? CBB HEM B 147 mVAL~B 137 71.76 39.08 -9.06 72.21 39.75 -9.65 72.60 37.03 -8.03 72.09 36.00 -7.57 71.90 37.65 -9.23 72.59 37.28 -10.53 3 0 6.52-999 ?-999 ?-999 ? CBB HEM B 147 mALA~B 138 73.69 37.62 -7.59 73.93 38.45 -8.10 73.50 37.04 -5.23 73.43 36.07 -4.48 74.45 37.04 -6.43 75.66 37.92 -6.16 2 0 6.39-999 ?-999 ?-999 ? CAB HEM B 147 mASN~B 139 72.80 38.16 -5.06 72.98 38.87 -5.74 70.69 37.24 -4.10 70.30 36.63 -3.09 71.83 38.27 -3.95 71.36 39.71 -3.77 2 0 9.79-999 ?-999 ?-999 ? CAB HEM B 147 mALA~B 140 70.16 37.01 -5.28 70.56 37.58 -6.00 69.58 34.63 -5.10 68.86 33.87 -4.40 69.10 36.02 -5.49 68.61 36.18 -6.90 2 0 9.39-999 ?-999 ?-999 ? CAB HEM B 147 mLEU~B 141 70.82 34.30 -5.48 71.29 35.02 -5.99 71.82 32.83 -3.73 71.95 31.70 -3.23 71.42 33.00 -5.18 72.58 32.70 -6.11 3 0 7.10-999 ?-999 ?-999 ? CAB HEM B 147 mALA~B 142 72.01 33.91 -3.00 71.89 34.76 -3.51 71.11 33.83 -0.73 71.13 33.46 0.44 72.38 33.80 -1.58 73.28 35.01 -1.27 2 0 9.71-999 ?-999 ?-999 ? CAB HEM B 147 mHIS.B 143 69.97 34.21 -1.31 70.06 34.36 -2.29 68.20 33.27 0.23 67.63 33.59 1.29 68.72 34.39 -0.63 67.58 34.81 -1.62 3 0 12.47-999 ?-999 ?-999 ? CAB HEM B 147 mLYS.B 144 68.25 32.01 -0.14 68.68 31.93 -1.04 68.79 30.21 1.52 68.55 29.09 2.01 67.78 30.85 0.57 67.27 29.76 -0.41 2 0 13.83-999 ?-999 ?-999 ? C3B HEM B 147 mTYR.B 145 69.91 30.88 1.79 69.98 31.77 1.34 70.38 30.47 4.12 69.70 31.47 4.39 70.92 30.30 2.70 72.29 30.95 2.51 3 0 13.85-999 ?-999 ?-999 ? FE HEM B 147 mHIS.B 146 70.71 29.52 4.96 71.30 28.85 4.52 71.22 28.51 7.14 72.07 27.89 6.46 70.27 29.42 6.35 68.84 28.76 6.47 3 0 14.44-999 ?-999 ?-999 ? CBC HEM C 142 mVAL.C 1 99.83 47.31 12.40 98.99 47.28 11.86 100.82 47.36 14.71 100.32 48.40 15.20 101.06 47.35 13.19 101.84 48.68 12.93 3 0 17.31-999 ?-999 ?-999 ? CBB HEM C 142 mLEU.C 2 101.26 46.30 15.35 101.71 45.62 14.78 102.22 46.97 17.45 103.40 46.69 17.28 101.07 46.21 16.80 100.94 44.77 17.27 3 0 16.64-999 ?-999 ?-999 ? CBB HEM C 142 mSER.C 3 101.77 47.94 18.21 100.78 48.07 18.22 102.96 47.92 20.28 102.20 47.00 20.59 102.77 48.72 18.97 102.24 50.10 19.30 2 0 20.05-999 ?-999 ?-999 ? CBB HEM C 142 mPRO~C 4 103.96 48.38 21.00 104.45 49.14 20.57 103.09 47.87 23.24 102.87 46.94 24.05 104.31 47.83 22.31 105.45 48.72 22.77 3 0 21.41-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 5 102.31 48.93 23.13 102.65 49.59 22.46 100.04 48.03 23.53 99.45 47.40 24.41 101.07 49.10 23.92 100.51 50.49 23.80 2 0 21.24-999 ?-999 ?-999 ? CBB HEM C 142 mASP~C 6 99.85 47.80 22.23 100.37 48.40 21.63 99.32 45.40 22.34 98.46 44.62 22.75 98.94 46.77 21.76 98.89 46.67 20.23 2 0 17.49-999 ?-999 ?-999 ? CBB HEM C 142 mLYS~C 7 100.63 45.14 22.27 101.20 45.89 21.93 100.89 43.57 24.17 100.62 42.44 24.61 101.12 43.81 22.69 102.55 43.62 22.30 2 0 17.02-999 ?-999 ?-999 ? CBB HEM C 142 mTHR~C 8 101.06 44.61 24.96 101.33 45.44 24.49 99.36 44.25 26.69 99.08 43.44 27.58 100.84 44.50 26.41 101.26 45.85 27.14 2 0 19.44-999 ?-999 ?-999 ? CBB HEM C 142 mASN~C 9 98.52 44.98 25.98 98.98 45.59 25.34 96.56 43.49 25.79 95.64 43.06 26.47 97.06 44.90 26.10 96.29 45.89 25.23 2 0 17.86-999 ?-999 ?-999 ? CBB HEM C 142 mVAL~C 10 97.08 42.94 24.70 97.75 43.51 24.22 97.11 40.53 25.29 96.26 39.70 25.64 96.67 41.58 24.27 97.17 41.23 22.86 3 0 14.41-999 ?-999 ?-999 ? CBB HEM C 142 mLYS~C 11 98.39 40.58 25.68 98.92 41.31 25.25 98.12 39.67 27.97 97.69 38.65 28.55 98.92 39.61 26.68 100.42 39.78 26.87 2 0 16.13-999 ?-999 ?-999 ? CMB HEM C 142 mALA~C 12 97.78 40.87 28.41 98.14 41.61 27.84 95.60 40.46 29.44 95.19 39.60 30.25 96.97 41.11 29.60 96.81 42.62 29.82 2 0 18.49-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 13 94.93 40.91 28.37 95.39 41.60 27.82 93.62 38.87 28.03 92.83 38.16 28.70 93.59 40.38 28.10 92.97 41.03 26.87 2 0 16.03-999 ?-999 ?-999 ? CBB HEM C 142 mTRP~C 14 94.51 38.34 27.20 95.11 39.00 26.75 95.06 36.16 28.25 94.77 34.96 28.48 94.59 36.89 27.01 95.48 36.58 25.79 3 0 14.01-999 ?-999 ?-999 ? CBB HEM C 142 mGLY~C 15 95.80 36.87 29.09 95.97 37.81 28.80 95.09 35.92 31.20 95.01 34.89 31.86 96.31 36.24 30.34-999.99-999.99-999.99 1 0 17.09-999 ?-999 ?-999 ? CMB HEM C 142 mLYS~C 16 94.17 36.86 31.14 94.43 37.63 30.55 92.04 35.65 31.35 91.28 35.01 32.11 92.90 36.78 31.87 92.18 38.11 31.82 2 0 18.35-999 ?-999 ?-999 ? CBB HEM C 142 mVAL~C 17 92.11 35.37 30.06 92.75 35.93 29.54 91.66 32.99 30.20 90.87 32.11 30.55 91.26 34.28 29.51 91.34 34.25 27.98 3 0 15.59-999 ?-999 ?-999 ? CBB HEM C 142 mGLY~C 18 92.97 32.93 30.36 93.45 33.74 30.01 93.10 30.47 30.52 93.09 30.08 29.32 93.66 31.80 30.98-999.99-999.99-999.99 1 0 16.58-999 ?-999 ?-999 ? CMB HEM C 142 mALA.C 19 92.61 29.75 31.52 92.65 30.20 32.42 90.73 28.34 30.61 90.32 27.16 30.38 92.07 28.43 31.30 92.03 27.68 32.65 2 0 16.87-999 ?-999 ?-999 ? CMA HEM C 142 mHIS~C 20 90.04 29.42 30.33 90.50 30.27 30.59 88.78 29.47 28.16 87.72 29.52 27.52 88.72 29.37 29.68 87.85 30.59 30.10 3 0 15.95-999 ?-999 ?-999 ? CMB HEM C 142 mALA~C 21 89.97 29.56 27.64 90.69 29.50 28.34 89.46 28.80 25.33 88.86 29.29 24.35 90.25 29.73 26.23 91.75 29.73 25.98 2 0 12.20-999 ?-999 ?-999 ? CMB HEM C 142 mGLY~C 22 89.43 27.51 25.61 89.95 27.27 26.43 87.20 26.76 24.83 86.46 26.47 23.87 88.70 26.57 24.75-999.99-999.99-999.99 1 0 11.27-999 ?-999 ?-999 ? CMA HEM C 142 mGLU~C 23 86.75 27.21 26.00 87.47 27.35 26.68 84.91 28.72 25.53 83.83 28.79 24.93 85.33 27.46 26.27 84.94 27.54 27.72 2 0 14.43-999 ?-999 ?-999 ? CMA HEM C 142 mTYR~C 24 85.78 29.70 25.49 86.62 29.52 26.00 85.59 30.68 23.23 84.78 31.25 22.50 85.51 30.93 24.74 86.49 32.02 25.17 3 0 12.32-999 ?-999 ?-999 ? CBB HEM C 142 mGLY~C 25 86.54 29.88 22.78 87.17 29.55 23.49 85.37 28.81 20.91 84.86 29.04 19.80 86.61 29.56 21.35-999.99-999.99-999.99 1 0 9.37-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 26 84.88 27.85 21.68 85.40 27.68 22.52 82.50 28.13 21.17 81.67 28.08 20.24 83.66 27.14 21.27 83.37 26.01 22.24 2 0 11.87-999 ?-999 ?-999 ? CHB HEM C 142 mGLU~C 27 82.40 29.05 22.11 83.15 29.01 22.76 81.37 31.01 21.04 80.34 31.32 20.45 81.34 30.04 22.22 81.41 30.84 23.53 2 0 13.12-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 28 82.54 31.48 20.71 83.25 31.17 21.34 82.30 31.65 18.29 81.68 32.32 17.46 82.81 32.33 19.56 84.30 32.60 19.38 2 0 9.97-999 ?-999 ?-999 ? CBB HEM C 142 mLEU~C 29 82.57 30.35 18.13 83.07 29.93 18.89 80.63 29.58 16.84 80.05 29.76 15.77 82.15 29.65 16.93 82.74 28.23 16.87 3 0 8.71-999 ?-999 ?-999 ? CBC HEM C 142 mGLU~C 30 80.07 29.21 17.98 80.70 29.03 18.73 77.99 30.45 17.73 77.00 30.58 16.98 78.59 29.10 18.05 78.10 28.66 19.42 2 0 11.24-999 ?-999 ?-999 ? CBC HEM C 142 mARG~C 31 78.61 31.49 18.24 79.40 31.26 18.81 78.24 33.11 16.42 77.34 33.78 15.90 78.13 32.85 17.94 78.79 33.99 18.70 2 0 11.70-999 ?-999 ?-999 ? CBC HEM C 142 mMET~C 32 79.28 32.63 15.78 79.89 32.09 16.37 78.46 32.14 13.50 77.90 32.68 12.50 79.49 32.88 14.34 80.93 32.56 13.98 2 0 8.18-999 ?-999 ?-999 ? CBC HEM C 142 mPHE~C 33 78.26 30.88 13.87 78.79 30.57 14.66 75.88 30.61 13.15 75.19 30.44 12.13 77.29 30.06 13.10 77.31 28.61 13.51 3 0 8.54-999 ?-999 ?-999 ? CBC HEM C 142 mLEU~C 34 75.48 31.19 14.27 76.19 31.22 14.98 73.99 33.10 13.80 72.94 33.33 13.22 74.14 31.73 14.46 73.79 31.85 15.95 3 0 12.07-999 ?-999 ?-999 ? CBC HEM C 142 mSER~C 35 74.98 33.96 13.94 75.78 33.60 14.42 75.15 35.38 11.91 74.56 36.25 11.22 74.86 35.31 13.38 75.69 36.31 14.17 2 0 12.03-999 ?-999 ?-999 ? CBC HEM C 142 mPHE.C 36 76.07 34.60 11.39 76.45 33.98 12.08 76.45 33.15 9.47 77.47 32.44 9.39 76.51 34.59 9.98 77.90 35.21 9.84 3 0 9.33-999 ?-999 ?-999 ? CBC HEM C 142 mPRO~C 37 75.24 32.73 9.15 74.54 33.44 9.27 75.75 30.92 7.47 75.86 29.67 7.25 74.95 31.37 8.67 73.43 31.35 8.39 3 0 9.67-999 ?-999 ?-999 ? CBC HEM C 142 mTHR~C 38 76.26 31.84 6.63 76.07 32.80 6.85 78.36 30.77 5.88 78.90 29.99 5.05 77.04 31.40 5.46 77.26 32.53 4.42 2 0 8.22-999 ?-999 ?-999 ? CBC HEM C 142 mTHR~C 39 78.83 31.06 7.08 78.26 31.71 7.58 79.92 28.96 7.81 80.90 28.22 7.87 80.09 30.45 7.58 80.64 31.14 8.88 2 0 4.57-999 ?-999 ?-999 ? CBC HEM C 142 mLYS~C 40 78.68 28.47 7.91 77.98 29.18 7.85 78.72 26.22 6.83 78.85 24.99 6.93 78.40 27.03 8.09 76.94 26.83 8.46 2 0 6.84-999 ?-999 ?-999 ? CBC HEM C 142 mTHR~C 41 78.84 26.85 5.68 78.69 27.83 5.78 80.52 25.52 4.45 80.77 24.65 3.61 79.15 26.18 4.41 79.08 27.13 3.18 2 0 7.81-999 ?-999 ?-999 ? CBC HEM C 142 mTYR~C 42 81.40 25.90 5.37 81.04 26.62 5.96 82.72 24.12 6.45 83.73 23.38 6.48 82.74 25.33 5.51 83.75 26.39 6.04 3 0 4.83-999 ?-999 ?-999 ? CMD HEM C 142 mPHE.C 43 81.61 23.93 7.16 80.88 24.59 6.97 80.31 21.93 7.94 79.51 21.70 8.85 81.52 22.83 8.15 81.52 23.39 9.57 3 0 5.32-999 ?-999 ?-999 ? CMD HEM C 142 mPRO.C 44 80.18 21.43 6.73 80.91 21.72 6.12 79.15 19.17 6.99 78.11 18.50 7.13 79.06 20.54 6.34 79.20 20.48 4.82 3 0 8.61-999 ?-999 ?-999 ? CMD HEM C 142 mHIS.C 45 80.33 18.79 7.43 81.01 19.49 7.21 80.60 17.66 9.66 80.97 16.67 10.34 80.71 17.58 8.13 82.19 17.18 7.85 3 0 7.11-999 ?-999 ?-999 ? O2D HEM C 142 mPHE.C 46 80.19 18.78 10.19 79.98 19.45 9.49 78.58 19.00 12.02 77.73 19.43 11.22 80.06 19.02 11.62 80.58 20.46 12.00 3 0 7.59-999 ?-999 ?-999 ? O2D HEM C 142 mASP.C 47 78.39 18.59 13.25 79.23 18.24 13.65 77.19 20.04 14.62 78.14 20.14 15.43 77.07 18.64 13.94 76.80 17.58 15.00 2 0 11.20-999 ?-999 ?-999 ? O2D HEM C 142 mLEU.C 48 76.37 20.94 14.15 75.71 20.60 13.49 75.52 22.58 15.76 75.35 23.72 16.24 76.50 22.33 14.65 76.48 23.28 13.44 3 0 12.07-999 ?-999 ?-999 ? CBD HEM C 142 mSER.C 49 74.90 21.50 16.21 75.13 20.64 15.75 74.68 22.18 18.54 75.88 21.94 18.77 73.92 21.68 17.32 73.16 20.40 17.58 2 0 15.48-999 ?-999 ?-999 ? CBD HEM C 142 mHIS.C 50 73.94 22.92 19.35 72.99 23.02 19.04 75.16 22.52 21.44 74.61 21.45 21.77 74.45 23.54 20.57 73.35 24.28 21.38 3 0 16.82-999 ?-999 ?-999 ? CBD HEM C 142 mGLY.C 51 76.39 22.86 21.80 76.72 23.72 21.42 77.71 20.75 22.05 78.28 19.92 22.78 77.14 21.99 22.70-999.99-999.99-999.99 1 0 15.80-999 ?-999 ?-999 ? O1D HEM C 142 mSER.C 52 77.59 20.64 20.74 77.09 21.41 20.34 79.57 19.23 20.25 80.44 20.09 20.48 78.12 19.53 19.95 77.90 19.81 18.48 2 0 13.06-999 ?-999 ?-999 ? O1D HEM C 142 mALA~C 53 79.92 17.96 20.22 79.17 17.34 19.98 82.28 18.10 19.48 83.43 18.47 19.85 81.31 17.57 20.52 81.37 16.06 20.68 2 0 11.44-999 ?-999 ?-999 ? O1D HEM C 142 mGLN~C 54 81.92 18.12 18.21 81.00 17.76 18.04 83.12 20.16 17.40 84.25 20.58 17.16 82.84 18.66 17.18 82.32 18.44 15.78 2 0 7.78-999 ?-999 ?-999 ? O1D HEM C 142 mVAL~C 55 82.12 20.92 17.82 81.27 20.42 17.98 83.20 22.66 19.19 84.05 23.56 19.14 82.27 22.37 18.03 80.93 23.11 18.12 3 0 9.10-999 ?-999 ?-999 ? O1D HEM C 142 mLYS~C 56 82.98 21.90 20.27 82.23 21.24 20.18 85.27 21.74 21.12 86.16 22.48 21.53 83.80 22.03 21.46 83.39 21.07 22.58 2 0 10.99-999 ?-999 ?-999 ? O1D HEM C 142 mGLY~C 57 85.49 20.66 20.40 84.65 20.16 20.16 87.50 21.29 19.16 88.60 21.75 19.43 86.81 20.23 20.00-999.99-999.99-999.99 1 0 8.46-999 ?-999 ?-999 ? O1D HEM C 142 mHIS~C 58 86.76 21.66 18.13 85.88 21.19 18.06 87.58 23.97 17.93 88.61 24.62 17.73 87.28 22.70 17.19 86.31 22.86 15.99 3 0 6.34-999 ?-999 ?-999 ? O1D HEM C 142 mGLY~C 59 86.68 24.36 18.84 85.89 23.76 18.90 88.10 25.59 20.45 88.82 26.62 20.63 86.82 25.56 19.67-999.99-999.99-999.99 1 0 8.55-999 ?-999 ?-999 ? CMA HEM C 142 mLYS~C 60 88.45 24.45 21.03 87.82 23.68 20.89 90.87 24.61 20.82 91.83 25.28 21.19 89.70 24.39 21.80 89.90 23.01 22.43 2 0 8.23-999 ?-999 ?-999 ? CMA HEM C 142 mLYS~C 61 90.81 24.01 19.64 89.96 23.50 19.49 92.18 25.52 18.21 93.32 25.98 18.14 91.92 24.11 18.67 91.68 23.20 17.49 2 0 4.58-999 ?-999 ?-999 ? CMA HEM C 142 mVAL~C 62 91.14 26.28 17.95 90.27 25.79 18.05 91.86 28.49 18.70 92.69 29.37 18.46 91.24 27.69 17.54 89.85 28.21 17.14 3 0 4.32-999 ?-999 ?-999 ? CHB HEM C 142 mALA~C 63 91.41 28.21 19.89 90.75 27.46 19.85 93.32 28.71 21.36 94.07 29.69 21.61 91.82 28.91 21.12 90.96 28.46 22.28 2 0 7.08-999 ?-999 ?-999 ? CMB HEM C 142 mASP~C 64 93.72 27.48 21.24 92.97 26.84 21.03 96.00 27.83 20.34 97.12 28.24 20.65 95.14 27.11 21.39 95.33 25.62 21.41 2 0 6.92-999 ?-999 ?-999 ? CMA HEM C 142 mALA~C 65 95.47 27.95 19.12 94.55 27.57 19.01 96.44 30.07 18.41 97.56 30.62 18.22 96.25 28.61 18.06 95.66 28.30 16.70 2 0 5.10-999 ?-999 ?-999 ? CMA HEM C 142 mLEU~C 66 95.40 30.70 18.95 94.58 30.13 19.04 96.46 32.27 20.52 97.28 33.20 20.57 95.46 32.08 19.39 94.02 32.52 19.71 3 0 5.58-999 ?-999 ?-999 ? CMB HEM C 142 mTHR~C 67 96.39 31.38 21.49 95.67 30.70 21.34 98.71 31.43 22.16 99.50 32.29 22.58 97.28 31.40 22.66 96.97 30.21 23.62 2 0 9.19-999 ?-999 ?-999 ? CMB HEM C 142 mASN~C 68 99.00 30.55 21.24 98.22 29.96 21.01 100.68 31.73 19.92 101.81 32.22 20.02 100.31 30.44 20.62 100.37 29.21 19.70 2 0 9.41-999 ?-999 ?-999 ? CMB HEM C 142 mALA~C 69 99.73 32.28 19.18 98.88 31.76 19.18 100.31 34.64 19.44 101.26 35.42 19.14 99.94 33.54 18.45 98.68 33.90 17.66 2 0 8.30-999 ?-999 ?-999 ? CMB HEM C 142 mVAL~C 70 99.63 34.75 20.56 98.87 34.10 20.61 101.37 35.52 22.16 102.14 36.44 22.37 99.95 35.75 21.61 98.95 35.61 22.78 3 0 11.02-999 ?-999 ?-999 ? CMB HEM C 142 mALA~C 71 101.73 34.28 22.40 100.99 33.64 22.22 104.08 34.24 21.83 105.23 34.48 22.26 103.05 33.88 22.89 103.11 32.37 23.16 2 0 13.32-999 ?-999 ?-999 ? CMB HEM C 142 mHIS.C 72 103.71 34.29 20.56 102.74 34.09 20.42 104.32 35.83 18.67 104.50 35.80 17.45 104.69 34.61 19.50 104.77 33.40 18.49 3 0 13.10-999 ?-999 ?-999 ? CMB HEM C 142 mVAL~C 73 103.81 36.84 19.35 103.80 36.70 20.34 104.32 38.68 17.78 103.99 39.34 16.78 103.31 38.03 18.69 102.72 39.01 19.72 3 0 13.12-999 ?-999 ?-999 ? CMB HEM C 142 mASP~C 74 105.58 38.48 18.19 105.69 37.89 18.99 107.15 38.28 16.29 107.97 38.76 15.49 106.67 39.13 17.43 107.79 39.52 18.44 2 0 16.11-999 ?-999 ?-999 ? CMB HEM C 142 mASP~C 75 106.69 37.05 16.26 106.05 36.87 17.01 105.86 35.34 14.71 105.88 34.09 14.61 107.09 36.08 15.22 108.14 35.19 15.90 2 0 14.86-999 ?-999 ?-999 ? CMB HEM C 142 mMET~C 76 104.78 36.02 14.34 104.86 37.02 14.37 103.71 34.42 12.69 103.22 33.28 12.74 103.59 35.26 13.93 102.32 36.10 13.92 2 0 11.30-999 ?-999 ?-999 ? CMB HEM C 142 mPRO~C 77 104.31 34.91 11.62 104.68 35.82 11.77 105.05 32.82 10.60 104.64 31.77 10.11 104.40 34.15 10.36 105.21 35.07 9.44 3 0 12.37-999 ?-999 ?-999 ? CMB HEM C 142 mASN~C 78 106.14 32.88 11.38 106.44 33.78 11.69 105.99 30.79 12.68 105.77 29.58 12.43 106.82 31.65 11.72 108.28 31.85 12.14 2 0 13.89-999 ?-999 ?-999 ? CMB HEM C 142 mALA~C 79 105.44 31.35 13.75 105.62 32.33 13.85 103.46 29.88 14.02 103.05 28.77 14.39 104.64 30.55 14.69 104.15 31.46 15.83 2 0 11.42-999 ?-999 ?-999 ? CMB HEM C 142 mLEU.C 80 102.77 30.55 13.12 103.15 31.44 12.91 101.83 29.41 11.14 100.89 29.26 10.35 101.56 29.99 12.51 100.52 31.12 12.49 3 0 8.59-999 ?-999 ?-999 ? CMB HEM C 142 mSER~C 81 103.07 29.03 10.86 103.72 29.14 11.61 102.49 27.40 9.10 102.05 27.29 7.95 103.40 28.52 9.53 104.85 28.00 9.50 2 0 11.30-999 ?-999 ?-999 ? CMA HEM C 142 mALA~C 82 102.31 26.44 10.01 102.77 26.59 10.88 100.05 25.64 9.35 99.46 24.97 8.45 101.48 25.26 9.68 101.60 24.22 10.80 2 0 8.54-999 ?-999 ?-999 ? CBA HEM C 142 mLEU~C 83 99.45 26.60 10.05 100.05 27.02 10.74 97.87 27.78 8.54 96.90 27.62 7.81 98.06 27.01 9.83 97.59 27.75 11.08 3 0 6.57-999 ?-999 ?-999 ? C3A HEM C 142 mSER~C 84 98.79 28.66 8.24 99.50 28.71 8.96 98.75 28.51 5.82 98.01 28.76 4.87 98.80 29.46 7.02 100.12 30.24 6.86 2 0 9.09-999 ?-999 ?-999 ? C1B HEM C 142 mASP~C 85 99.58 27.49 5.92 100.12 27.47 6.76 98.32 25.75 4.66 97.76 25.54 3.55 99.66 26.48 4.83 100.75 25.45 5.19 2 0 10.40-999 ?-999 ?-999 ? CBA HEM C 142 mLEU~C 86 97.90 25.23 5.82 98.49 25.41 6.61 95.53 25.31 5.31 94.71 24.85 4.49 96.66 24.47 5.88 96.40 24.01 7.30 3 0 7.45-999 ?-999 ?-999 ? CBA HEM C 142 mHIS~C 87 95.41 26.55 5.78 96.10 26.85 6.43 94.45 27.67 3.83 93.45 27.61 3.08 94.28 27.34 5.28 93.97 28.56 6.18 3 0 6.69-999 ?-999 ?-999 ? FE HEM C 142 mALA~C 88 95.65 28.07 3.40 96.36 28.09 4.10 95.74 27.29 1.06 95.20 27.48 -0.05 95.88 28.44 2.03 97.23 29.14 1.82 2 0 10.31-999 ?-999 ?-999 ? FE HEM C 142 mHIS~C 89 96.24 26.11 1.43 96.61 26.02 2.36 95.13 24.03 0.59 94.90 23.22 -0.32 96.19 25.05 0.41 97.57 24.34 0.23 3 0 11.76-999 ?-999 ?-999 ? C4D HEM C 142 mLYS.C 90 94.48 23.96 1.73 94.73 24.64 2.42 92.09 23.46 2.04 91.18 23.27 1.21 93.48 22.88 1.85 93.86 21.91 2.96 2 0 8.94-999 ?-999 ?-999 ? CAD HEM C 142 mLEU.C 91 92.00 24.16 3.16 92.86 24.28 3.65 90.17 25.70 2.62 89.00 25.62 2.24 90.71 24.70 3.62 90.80 25.23 5.07 3 0 6.03-999 ?-999 ?-999 ? C2D HEM C 142 mARG.C 92 91.03 26.62 2.30 91.91 26.55 2.76 89.37 28.40 1.67 88.46 28.50 0.81 90.64 27.65 1.32 90.44 26.92 -0.05 2 0 8.23-999 ?-999 ?-999 ? CHD HEM C 142 mVAL.C 93 89.30 28.91 2.88 90.11 28.72 3.43 88.28 31.11 2.82 89.34 31.73 2.98 88.15 29.68 3.36 88.23 29.66 4.94 3 0 5.54-999 ?-999 ?-999 ? CAC HEM C 142 mASP.C 94 87.24 31.64 2.19 86.43 31.05 2.11 87.70 33.94 2.83 87.13 33.85 3.91 87.33 33.01 1.67 86.02 33.40 0.96 2 0 7.76-999 ?-999 ?-999 ? CAC HEM C 142 mPRO~C 95 88.63 34.85 2.58 89.00 34.78 1.65 88.02 36.61 4.28 88.37 37.03 5.41 89.07 35.84 3.55 89.86 36.86 2.68 3 0 7.48-999 ?-999 ?-999 ? CMC HEM C 142 mVAL~C 96 86.82 36.88 3.82 86.70 36.52 2.90 85.36 36.94 5.86 84.97 37.56 6.86 85.79 37.64 4.56 84.56 37.93 3.63 3 0 7.70-999 ?-999 ?-999 ? CMC HEM C 142 mASN~C 97 85.42 35.64 5.85 85.77 35.29 4.98 85.88 35.10 8.20 85.43 35.08 9.34 85.02 34.78 6.97 84.99 33.34 6.52 2 0 4.35-999 ?-999 ?-999 ? CMC HEM C 142 mPHE~C 98 87.14 35.41 7.97 87.38 35.40 7.00 87.55 36.96 9.81 87.67 37.06 11.04 88.07 35.74 9.06 89.50 35.98 8.49 3 0 3.96-999 ?-999 ?-999 ? CMC HEM C 142 mLYS~C 99 86.96 37.85 9.03 86.92 37.60 8.06 85.27 38.78 10.53 85.05 39.28 11.67 86.45 39.11 9.68 86.46 40.16 8.62 2 0 7.17-999 ?-999 ?-999 ? CMC HEM C 142 mLEU~C 100 84.44 37.82 10.13 84.70 37.43 9.24 83.67 36.70 12.17 83.04 37.01 13.20 83.26 37.39 10.90 82.35 36.52 10.03 3 0 6.73-999 ?-999 ?-999 ? CMC HEM C 142 mLEU~C 101 84.63 35.78 12.09 84.99 35.63 11.17 85.72 36.06 14.27 85.53 35.92 15.50 85.07 35.09 13.31 85.96 33.91 12.90 3 0 5.22-999 ?-999 ?-999 ? CMC HEM C 142 mSER~C 102 86.54 36.99 13.80 86.65 36.97 12.81 86.17 38.72 15.50 86.35 38.90 16.72 87.21 37.94 14.70 88.14 38.93 14.00 2 0 6.05-999 ?-999 ?-999 ? CBB HEM C 142 mHIS~C 103 85.13 39.16 14.84 85.18 38.94 13.87 83.42 39.07 16.58 83.22 39.55 17.71 84.02 39.90 15.48 82.93 40.32 14.50 3 0 9.73-999 ?-999 ?-999 ? CBB HEM C 142 mCYH~C 104 83.08 37.83 16.27 83.25 37.60 15.32 83.44 36.63 18.44 82.92 36.37 19.55 82.49 36.93 17.29 81.89 35.67 16.67 2 0 9.84-999 ?-999 ?-999 ? CBB HEM C 142 mLEU~C 105 84.75 36.66 18.23 84.96 36.84 17.27 85.78 37.65 20.24 85.77 37.57 21.48 85.78 36.44 19.29 87.04 36.16 18.54 3 0 8.11-999 ?-999 ?-999 ? CBB HEM C 142 mLEU~C 106 85.71 38.85 19.70 85.68 38.79 18.70 84.37 40.21 21.28 84.44 40.65 22.43 85.66 40.11 20.43 85.82 41.26 19.45 3 0 10.82-999 ?-999 ?-999 ? CBB HEM C 142 mVAL~C 107 83.25 39.78 20.74 83.38 39.44 19.80 82.03 38.83 22.63 81.58 39.21 23.72 81.94 39.78 21.42 80.79 39.44 20.45 3 0 13.41-999 ?-999 ?-999 ? CBB HEM C 142 mTHR~C 108 82.57 37.66 22.44 82.86 37.55 21.48 83.60 37.19 24.63 83.24 37.10 25.80 82.74 36.62 23.49 83.36 35.30 22.92 2 0 13.05-999 ?-999 ?-999 ? CBB HEM C 142 mLEU~C 109 84.71 37.80 24.26 84.84 37.79 23.27 84.99 39.52 26.02 85.21 39.64 27.24 85.64 38.41 25.21 86.86 38.93 24.38 3 0 13.48-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 110 84.22 40.35 25.32 84.20 40.10 24.35 82.50 41.02 26.94 82.38 41.67 27.95 83.50 41.49 25.91 82.75 42.24 24.80 2 0 16.33-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 111 81.77 39.93 26.65 82.00 39.55 25.75 81.36 38.65 28.72 80.64 38.38 29.67 80.75 39.31 27.47 79.99 38.19 26.73 2 0 18.00-999 ?-999 ?-999 ? CBB HEM C 142 mHIS~C 112 82.64 38.37 28.71 83.09 38.69 27.88 84.37 38.50 30.55 84.74 38.06 31.67 83.34 37.68 29.80 84.04 36.37 29.31 3 0 18.14-999 ?-999 ?-999 ? CBB HEM C 142 mLEU.C 113 84.89 39.57 30.01 84.50 39.75 29.11 85.33 41.80 30.93 85.79 42.76 30.31 85.91 40.41 30.67 87.15 40.49 29.80 3 0 18.87-999 ?-999 ?-999 ? CBB HEM C 142 mPRO.C 114 84.39 41.91 31.84 84.12 41.06 32.29 84.88 44.22 32.51 84.86 45.33 31.93 83.81 43.22 32.13 82.81 43.00 33.25 3 0 21.93-999 ?-999 ?-999 ? CBB HEM C 142 mALA.C 115 85.75 43.86 33.43 85.66 42.92 33.76 87.81 45.24 32.87 88.22 46.41 32.78 86.75 44.84 33.88 87.47 44.32 35.13 2 0 23.42-999 ?-999 ?-999 ? CBB HEM C 142 mGLU.C 116 88.34 44.26 32.16 87.91 43.38 32.31 89.13 44.99 29.88 90.03 45.59 29.24 89.45 44.45 31.25 90.15 43.09 31.04 2 0 20.64-999 ?-999 ?-999 ? CBB HEM C 142 mPHE.C 117 87.93 44.79 29.41 87.32 44.37 30.08 87.30 46.63 27.91 86.17 47.01 27.58 87.55 45.16 28.04 86.48 44.21 27.48 3 0 18.75-999 ?-999 ?-999 ? CBB HEM C 142 mTHR.C 118 88.35 47.44 28.05 89.18 46.95 28.31 88.41 49.24 26.37 88.84 48.46 25.54 88.28 48.90 27.85 89.48 49.63 28.59 2 0 19.99-999 ?-999 ?-999 ? CBC HEM D 147 mPRO~C 119 88.10 50.48 26.00 87.82 51.08 26.75 89.57 50.67 24.03 89.73 50.23 22.88 88.18 50.88 24.60 87.57 52.26 24.52 3 0 16.47-999 ?-999 ?-999 ? CBC HEM D 147 mALA~C 120 90.58 50.93 24.81 90.28 51.26 25.70 92.32 49.30 24.20 92.98 48.97 23.21 92.00 50.77 24.42 92.89 51.45 25.45 2 0 18.38-999 ?-999 ?-999 ? CBC HEM D 147 mVAL~C 121 91.88 48.42 25.07 91.37 48.84 25.83 91.30 46.42 23.77 91.76 45.57 23.01 92.11 46.98 24.95 91.75 46.25 26.25 3 0 17.60-999 ?-999 ?-999 ? CBB HEM C 142 mHIS~C 122 90.10 46.94 23.67 89.88 47.60 24.40 89.92 46.88 21.24 89.92 45.98 20.35 89.19 46.56 22.56 87.85 47.24 22.72 3 0 15.92-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 123 90.50 48.05 21.10 90.40 48.60 21.93 92.43 47.59 19.64 92.60 47.17 18.48 91.22 48.49 19.88 91.66 49.93 19.90 2 0 16.17-999 ?-999 ?-999 ? CBC HEM D 147 mSER~C 124 93.16 47.23 20.68 92.81 47.63 21.52 94.01 44.95 20.18 94.67 44.39 19.27 94.35 46.36 20.65 95.11 46.34 21.98 2 0 15.07-999 ?-999 ?-999 ? CBB HEM C 142 mLEU~C 125 92.95 44.41 20.77 92.53 44.97 21.48 91.97 43.06 18.92 92.21 42.07 18.21 92.46 43.09 20.37 91.45 42.64 21.41 3 0 11.81-999 ?-999 ?-999 ? CBB HEM C 142 mASP~C 126 91.25 44.03 18.46 91.07 44.71 19.17 91.96 44.14 16.14 91.97 43.44 15.11 90.77 44.13 17.10 89.90 45.41 16.95 2 0 11.29-999 ?-999 ?-999 ? CBB HEM C 142 mLYS~C 127 92.96 44.98 16.47 92.79 45.53 17.29 94.91 43.71 15.71 95.38 43.22 14.68 94.18 45.06 15.66 95.16 46.14 16.00 2 0 12.32-999 ?-999 ?-999 ? CBB HEM C 142 mPHE~C 128 94.97 43.06 16.85 94.57 43.53 17.63 94.95 40.67 16.07 95.67 39.78 15.50 95.61 41.74 16.92 95.64 41.29 18.41 3 0 10.08-999 ?-999 ?-999 ? CBB HEM C 142 mLEU~C 129 93.61 40.62 16.05 93.17 41.35 16.57 92.95 39.83 13.81 92.99 38.87 13.02 92.85 39.59 15.32 91.42 39.45 15.85 3 0 6.71-999 ?-999 ?-999 ? CBB HEM C 142 mALA~C 130 93.05 41.09 13.44 92.98 41.76 14.18 94.64 40.93 11.61 94.85 40.44 10.46 93.24 41.39 12.01 93.00 42.87 11.83 2 0 8.64-999 ?-999 ?-999 ? CBB HEM C 142 mSER~C 131 95.65 41.05 12.45 95.39 41.48 13.32 97.09 39.09 11.99 97.79 38.53 11.14 97.00 40.60 12.14 98.02 41.01 13.22 2 0 9.64-999 ?-999 ?-999 ? CBB HEM C 142 mVAL~C 132 96.42 38.41 12.90 95.97 38.98 13.59 95.74 36.52 11.52 96.17 35.58 10.82 96.39 36.94 12.85 95.66 36.37 14.09 3 0 6.61-999 ?-999 ?-999 ? CBB HEM C 142 mSER~C 133 94.63 37.20 11.21 94.37 37.91 11.87 94.75 37.04 8.72 94.67 36.24 7.76 93.89 36.88 9.96 92.62 37.77 9.90 2 0 5.64-999 ?-999 ?-999 ? CAB HEM C 142 mTHR~C 134 95.54 38.08 8.70 95.45 38.60 9.55 97.50 37.36 7.44 97.77 36.93 6.33 96.45 38.45 7.61 97.16 39.83 7.86 2 0 9.27-999 ?-999 ?-999 ? CAB HEM C 142 mVAL~C 135 98.08 36.92 8.55 97.80 37.38 9.39 98.36 34.56 7.93 98.85 33.90 6.99 99.06 35.81 8.49 99.65 35.58 9.89 3 0 9.39-999 ?-999 ?-999 ? CAB HEM C 142 mLEU~C 136 97.24 34.19 8.50 96.92 34.79 9.24 96.17 32.97 6.57 96.02 31.90 5.99 96.55 32.98 8.04 95.39 32.74 9.02 3 0 7.09-999 ?-999 ?-999 ? CAB HEM C 142 mTHR.C 137 95.95 34.13 5.93 96.07 34.97 6.47 96.69 34.62 3.63 96.53 34.88 2.44 95.56 34.10 4.52 94.24 34.97 4.29 2 0 9.32-999 ?-999 ?-999 ? CHC HEM C 142 mSER.C 138 97.86 34.78 4.22 97.90 34.47 5.17 99.52 34.47 2.37 100.23 35.01 1.47 98.98 35.36 3.47 100.08 35.85 4.43 2 0 12.35-999 ?-999 ?-999 ? CAB HEM C 142 mLYS.C 139 99.23 33.19 2.38 98.63 32.92 3.13 98.66 31.88 0.34 98.87 30.92 -0.44 99.76 32.29 1.33 100.44 31.05 1.92 2 0 14.04-999 ?-999 ?-999 ? CHC HEM C 142 mTYR.C 140 97.52 32.57 0.31 97.53 33.36 0.93 96.69 32.23 -2.03 96.18 31.42 -2.82 96.38 32.22 -0.54 95.15 33.09 -0.25 3 0 13.39-999 ?-999 ?-999 ? CHC HEM C 142 mARG.C 141 97.48 33.22 -2.41 97.77 33.83 -1.68 99.17 34.09 -4.04 99.70 34.67 -3.06 97.86 33.36 -3.83 96.72 33.95 -4.65 2 0 15.88-999 ?-999 ?-999 ? CBC HEM B 147 mMET.D 1 60.71 43.09 10.69 59.89 43.29 11.23 62.03 41.29 9.72 61.16 40.55 10.21 61.93 42.81 9.90 63.14 43.41 10.59 2 0 15.85-999 ?-999 ?-999 ? CBB HEM D 147 mHIS.D 2 63.11 40.87 9.04 63.73 41.56 8.68 63.81 38.72 10.11 64.78 37.96 10.07 63.27 39.43 8.87 63.93 38.88 7.59 3 0 17.83-999 ?-999 ?-999 ? CBB HEM D 147 mLEU.D 3 63.12 38.97 11.21 62.37 39.62 11.06 62.15 37.53 12.88 61.02 37.99 12.68 63.38 38.38 12.50 63.65 39.38 13.61 3 0 18.03-999 ?-999 ?-999 ? CBB HEM D 147 mTHR.D 4 62.45 36.37 13.43 63.43 36.16 13.48 60.73 36.21 15.11 61.26 37.12 15.77 61.37 35.50 13.92 61.90 34.07 14.31 2 0 21.51-999 ?-999 ?-999 ? CBB HEM D 147 mPRO~D 5 59.52 35.80 15.38 59.18 35.07 14.79 59.57 36.30 17.79 59.52 37.14 18.70 58.79 36.44 16.50 57.40 35.86 16.40 3 0 22.42-999 ?-999 ?-999 ? CBB HEM D 147 mGLU~D 6 60.32 35.21 17.90 60.30 34.61 17.10 62.24 35.97 19.17 62.56 36.55 20.21 61.10 34.95 19.12 61.75 33.58 19.18 2 0 22.78-999 ?-999 ?-999 ? CBB HEM D 147 mGLU~D 7 62.79 36.21 17.99 62.40 35.70 17.23 63.43 38.58 18.19 64.16 39.36 18.84 63.90 37.17 17.90 64.56 37.13 16.52 2 0 19.26-999 ?-999 ?-999 ? CBB HEM D 147 mLYS~D 8 62.25 38.88 17.68 61.81 38.13 17.19 61.54 40.52 19.32 61.91 41.58 19.83 61.69 40.23 17.85 60.38 40.41 17.12 2 0 17.97-999 ?-999 ?-999 ? CBB HEM D 147 mSER~D 9 61.04 39.55 20.06 60.84 38.71 19.56 62.13 39.90 22.28 62.24 40.77 23.16 60.83 39.76 21.50 59.94 38.63 22.03 2 0 19.99-999 ?-999 ?-999 ? CBB HEM D 147 mALA~D 10 63.07 39.02 21.96 62.78 38.38 21.25 65.04 40.38 22.47 65.58 40.81 23.50 64.40 39.00 22.58 65.29 37.92 21.99 2 0 19.16-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 11 65.00 40.97 21.30 64.57 40.39 20.61 64.91 43.38 21.91 65.51 44.24 22.56 65.53 42.31 21.02 65.30 42.68 19.53 3 0 15.41-999 ?-999 ?-999 ? CBB HEM D 147 mTHR~D 12 63.60 43.34 21.91 63.21 42.59 21.37 63.06 44.18 24.13 63.28 45.12 24.86 62.82 44.33 22.65 61.28 44.07 22.28 2 0 16.39-999 ?-999 ?-999 ? CBB HEM D 147 mALA~D 13 62.95 42.91 24.53 62.76 42.22 23.83 64.44 43.24 26.45 64.45 43.86 27.55 63.12 42.68 25.96 62.91 41.23 26.32 2 0 19.16-999 ?-999 ?-999 ? CBB HEM D 147 mLEU~D 14 65.52 43.04 25.70 65.36 42.55 24.83 66.92 45.03 26.10 67.56 45.65 26.98 66.83 43.52 26.19 67.96 42.78 25.45 3 0 17.23-999 ?-999 ?-999 ? CBB HEM D 147 mTRP~D 15 66.33 45.58 25.03 65.81 44.95 24.45 65.90 47.84 25.93 66.44 48.92 26.27 66.45 47.00 24.78 65.93 47.41 23.43 3 0 14.47-999 ?-999 ?-999 ? CBB HEM D 147 mGLY~D 16 64.88 47.29 26.54 64.62 46.42 26.13 65.15 48.16 28.85 64.91 49.09 29.65 64.21 47.89 27.70-999.99-999.99-999.99 1 0 17.46-999 ?-999 ?-999 ? CBB HEM D 147 mLYS~D 17 66.22 47.39 28.92 66.28 46.72 28.18 68.39 48.40 29.58 69.34 48.55 30.36 67.23 47.52 29.99 67.78 46.18 30.43 2 0 18.34-999 ?-999 ?-999 ? CBB HEM D 147 mVAL.D 18 68.35 48.98 28.40 67.51 48.79 27.88 69.25 51.29 28.32 68.16 51.87 28.11 69.46 49.83 27.93 69.63 49.57 26.41 3 0 15.17-999 ?-999 ?-999 ? CBB HEM D 147 mASN.D 19 70.32 51.87 28.85 71.05 51.21 29.02 70.93 54.03 27.89 72.14 54.24 27.70 70.43 53.31 29.16 71.34 53.49 30.37 2 0 15.69-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 20 70.03 54.42 26.99 69.09 54.23 27.27 71.44 56.14 25.91 72.34 56.29 25.06 70.42 55.05 25.72 69.20 55.39 24.87 3 0 12.29-999 ?-999 ?-999 ? CMB HEM D 147 mASP~D 21 71.34 56.89 26.99 70.55 56.66 27.55 73.72 57.37 27.27 74.53 57.65 26.36 72.31 57.97 27.29 71.97 58.66 28.61 2 0 14.00-999 ?-999 ?-999 ? CMA HEM D 147 mGLU~D 22 73.97 56.54 28.27 73.19 56.39 28.88 75.78 55.12 27.29 76.96 55.28 26.92 75.23 55.89 28.48 75.24 54.89 29.63 2 0 15.19-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 23 74.99 54.23 26.74 74.08 54.24 27.16 75.68 54.00 24.33 76.61 53.53 23.62 75.37 53.34 25.65 74.37 52.16 25.61 3 0 12.29-999 ?-999 ?-999 ? CBB HEM D 147 mGLY~D 24 74.95 55.04 23.98 74.23 55.26 24.64 76.64 56.31 22.74 77.43 56.12 21.82 75.22 55.76 22.73-999.99-999.99-999.99 1 0 9.62-999 ?-999 ?-999 ? CBB HEM D 147 mGLY~D 25 76.99 57.03 23.81 76.26 57.11 24.50 79.44 56.65 23.95 80.52 56.93 23.39 78.30 57.64 23.96-999.99-999.99-999.99 1 0 12.22-999 ?-999 ?-999 ? C4B HEM D 147 mGLU~D 26 79.29 55.54 24.61 78.42 55.52 25.10 80.44 53.84 23.24 81.56 53.55 22.78 80.28 54.44 24.65 79.75 53.30 25.52 2 0 13.15-999 ?-999 ?-999 ? CMC HEM D 147 mALA~D 27 79.28 53.61 22.60 78.45 53.84 23.12 79.92 54.05 20.28 80.82 53.63 19.51 79.27 53.06 21.24 77.91 52.61 20.75 2 0 9.96-999 ?-999 ?-999 ? CMC HEM D 147 mLEU~D 28 79.52 55.33 20.26 78.78 55.60 20.88 81.68 56.43 19.72 82.53 56.65 18.82 80.23 56.19 19.31 79.41 57.49 19.13 3 0 7.82-999 ?-999 ?-999 ? CMC HEM D 147 mGLY~D 29 82.03 56.45 21.01 81.27 56.26 21.64 84.32 55.56 21.01 85.46 55.74 20.54 83.42 56.74 21.43-999.99-999.99-999.99 1 0 10.29-999 ?-999 ?-999 ? CBC HEM D 147 mARG~D 30 83.82 54.36 21.22 82.92 54.35 21.65 84.75 53.07 19.31 85.83 52.54 18.89 84.60 53.16 20.82 84.03 51.85 21.32 2 0 11.01-999 ?-999 ?-999 ? CBC HEM D 147 mLEU~D 31 83.81 53.56 18.51 83.02 53.91 19.01 85.18 54.40 16.65 86.03 54.03 15.83 83.95 53.55 17.04 82.68 54.14 16.41 3 0 7.57-999 ?-999 ?-999 ? CBC HEM D 147 mLEU~D 32 85.22 55.56 17.27 84.43 55.66 17.88 87.59 56.12 17.62 88.58 56.53 17.00 86.25 56.60 17.13 85.76 57.91 17.68 3 0 7.83-999 ?-999 ?-999 ? CBC HEM D 147 mVAL~D 33 87.60 55.28 18.65 86.69 55.07 19.02 89.42 53.54 18.34 90.62 53.43 18.01 88.89 54.72 19.15 88.74 54.35 20.66 3 0 11.45-999 ?-999 ?-999 ? CBC HEM D 147 mVAL~D 34 88.57 52.56 18.05 87.64 52.75 18.37 89.19 51.56 15.87 90.06 50.87 15.31 88.94 51.33 17.35 87.89 50.23 17.63 3 0 11.80-999 ?-999 ?-999 ? CBC HEM D 147 mTYR.D 35 88.45 52.46 15.28 87.84 52.89 15.94 88.68 54.33 13.79 87.75 55.14 13.60 88.49 52.83 13.87 87.20 52.34 13.16 3 0 9.31-999 ?-999 ?-999 ? CBC HEM D 147 mPRO~D 36 89.93 54.71 13.96 90.58 53.96 14.03 90.00 56.93 12.81 89.68 58.13 12.86 90.28 56.14 14.04 91.66 56.17 14.65 3 0 9.82-999 ?-999 ?-999 ? CBC HEM D 147 mTYR~D 37 90.01 56.28 11.66 90.23 55.31 11.76 88.33 57.56 10.38 88.09 58.51 9.60 89.73 56.94 10.38 89.93 56.03 9.21 3 0 8.90-999 ?-999 ?-999 ? CBC HEM D 147 mTHR~D 38 87.47 57.04 11.24 87.84 56.30 11.80 86.04 58.92 11.94 84.98 59.59 11.85 86.09 57.53 11.35 85.08 56.56 12.09 2 0 5.16-999 ?-999 ?-999 ? CBC HEM D 147 mGLN~D 39 87.14 59.35 12.54 87.87 58.67 12.54 87.10 61.79 12.10 86.91 62.97 12.39 87.25 60.69 13.14 88.58 60.85 13.89 2 0 7.18-999 ?-999 ?-999 ? CBC HEM D 147 mARG~D 40 87.22 61.36 10.85 87.36 60.38 10.77 85.89 63.06 9.67 85.88 64.16 9.08 87.16 62.25 9.70 87.38 61.51 8.38 2 0 7.91-999 ?-999 ?-999 ? CBC HEM D 147 mPHE~D 41 84.81 62.60 10.25 84.98 61.73 10.71 83.26 64.29 11.31 82.22 64.98 11.35 83.51 63.31 10.19 82.39 62.22 10.23 3 0 4.89-999 ?-999 ?-999 ? CMD HEM D 147 mPHE.D 42 84.16 64.26 12.27 84.96 63.70 12.06 85.02 65.99 13.88 85.20 66.22 15.09 83.94 65.01 13.51 83.76 63.97 14.63 3 0 5.91-999 ?-999 ?-999 ? CMD HEM D 147 mGLU~D 43 85.65 66.56 12.89 85.36 66.27 11.97 86.17 68.63 14.15 86.77 69.09 15.15 86.72 67.54 13.25 87.40 68.06 12.02 2 0 9.12-999 ?-999 ?-999 ? CMD HEM D 147 mSER~D 44 84.93 69.04 13.93 84.48 68.60 13.15 84.04 69.64 16.21 83.50 70.47 16.99 84.32 70.07 14.80 83.09 70.63 14.08 2 0 7.57-999 ?-999 ?-999 ? O1D HEM D 147 mPHE~D 45 84.30 68.41 16.63 84.71 67.83 15.93 85.14 68.31 18.94 85.08 68.11 20.18 84.00 67.97 17.99 83.64 66.47 18.09 3 0 8.20-999 ?-999 ?-999 ? O1D HEM D 147 mGLY.D 46 86.22 68.79 18.35 86.16 68.87 17.35 88.33 67.95 19.23 88.44 67.20 18.23 87.37 69.14 19.21-999.99-999.99-999.99 1 0 11.77-999 ?-999 ?-999 ? O1D HEM D 147 mASP.D 47 88.99 67.86 20.37 88.70 68.54 21.04 89.57 65.46 20.81 88.86 65.10 21.76 90.03 66.89 20.64 90.89 67.40 21.82 2 0 14.79-999 ?-999 ?-999 ? O1D HEM D 147 mLEU.D 48 90.10 64.65 19.91 90.68 65.16 19.27 91.24 62.49 19.58 91.33 61.37 19.03 89.90 63.21 19.79 88.93 63.00 18.62 3 0 13.39-999 ?-999 ?-999 ? CBC HEM D 147 mSER.D 49 92.27 63.17 20.05 91.98 64.01 20.50 93.96 61.46 20.69 94.86 60.69 20.28 93.68 62.75 19.94 94.66 63.85 20.32 2 0 16.09-999 ?-999 ?-999 ? CBC HEM D 147 mTHR.D 50 93.25 61.21 21.78 92.56 61.90 22.03 92.29 59.26 22.94 91.25 59.95 22.92 93.57 59.92 22.48 94.56 60.24 23.67 2 0 16.89-999 ?-999 ?-999 ? CBC HEM D 147 mPRO~D 51 92.40 58.00 23.33 93.33 57.64 23.24 90.48 58.00 24.87 89.26 58.17 24.78 91.27 57.21 23.84 91.94 56.00 24.54 3 0 16.11-999 ?-999 ?-999 ? CBC HEM D 147 mASP~D 52 91.24 58.49 25.83 92.22 58.27 25.74 90.01 60.56 26.43 88.95 60.90 26.99 90.65 59.27 26.93 91.67 59.49 28.05 2 0 18.31-999 ?-999 ?-999 ? CBC HEM D 147 mALA~D 53 90.66 61.24 25.50 91.52 60.81 25.22 88.82 62.28 24.21 87.89 63.12 24.19 90.13 62.52 24.95 91.20 63.20 24.11 2 0 17.00-999 ?-999 ?-999 ? CBC HEM D 147 mVAL~D 54 88.76 61.11 23.58 89.58 60.55 23.66 86.44 60.31 23.78 85.31 60.83 23.66 87.57 60.70 22.83 87.89 59.50 21.90 3 0 13.47-999 ?-999 ?-999 ? CBC HEM D 147 mMET~D 55 86.78 59.39 24.69 87.74 59.11 24.68 85.06 59.89 26.49 83.85 59.71 26.80 85.75 58.87 25.60 86.26 57.66 26.36 2 0 14.96-999 ?-999 ?-999 ? CBC HEM D 147 mGLY.D 56 85.72 60.94 26.90 86.66 60.93 26.55 84.83 63.29 27.03 84.43 64.27 27.72 85.25 62.02 27.74-999.99-999.99-999.99 1 0 17.27-999 ?-999 ?-999 ? CBD HEM D 147 mASN.D 57 84.90 63.29 25.71 85.26 62.44 25.34 82.93 64.47 24.94 82.25 63.51 24.55 84.46 64.47 24.90 85.10 64.36 23.52 2 0 14.03-999 ?-999 ?-999 ? O1D HEM D 147 mPRO~D 58 82.38 65.55 25.46 83.04 66.25 25.72 80.18 65.80 24.32 78.97 65.47 24.25 80.93 65.70 25.62 80.80 66.96 26.47 3 0 12.93-999 ?-999 ?-999 ? O1D HEM D 147 mLYS~D 59 80.86 66.24 23.27 81.81 66.49 23.45 79.97 64.85 21.50 78.95 64.46 20.93 80.14 66.31 21.96 80.80 67.21 20.97 2 0 9.16-999 ?-999 ?-999 ? O1D HEM D 147 mVAL~D 60 81.01 64.08 21.77 81.78 64.55 22.22 79.75 62.03 22.11 78.91 61.38 21.47 80.97 62.65 21.43 82.30 61.97 21.79 3 0 9.77-999 ?-999 ?-999 ? CBD HEM D 147 mLYS~D 61 79.68 62.23 23.41 80.43 62.78 23.78 77.20 62.11 23.80 76.24 61.31 23.80 78.59 61.67 24.22 78.81 61.99 25.69 2 0 11.79-999 ?-999 ?-999 ? CBD HEM D 147 mALA~D 62 77.04 63.37 23.48 77.90 63.88 23.53 75.30 63.51 21.73 74.10 63.33 21.47 75.75 63.98 23.10 75.87 65.50 23.14 2 0 9.89-999 ?-999 ?-999 ? CBD HEM D 147 mHIS~D 63 76.30 63.35 20.86 77.22 63.56 21.21 75.55 61.43 19.56 74.63 60.96 18.85 75.96 62.90 19.50 77.08 63.17 18.51 3 0 6.78-999 ?-999 ?-999 ? CBD HEM D 147 mGLY~D 64 76.19 60.71 20.48 76.86 61.25 21.00 74.53 59.04 21.20 73.88 58.03 20.85 75.95 59.29 20.70-999.99-999.99-999.99 1 0 8.49-999 ?-999 ?-999 ? N B HEM D 147 mLYS~D 65 74.07 59.95 22.03 74.74 60.66 22.23 71.69 60.08 21.51 70.64 59.43 21.50 72.74 59.92 22.61 72.60 61.07 23.63 2 0 9.31-999 ?-999 ?-999 ? CMA HEM D 147 mLYS~D 66 71.97 60.96 20.58 72.86 61.37 20.79 71.10 60.15 18.45 69.96 59.75 18.12 71.20 61.37 19.40 71.87 62.50 18.69 2 0 5.64-999 ?-999 ?-999 ? CMA HEM D 147 mVAL~D 67 72.25 59.59 18.10 73.03 60.06 18.50 71.55 57.25 17.76 70.67 56.65 17.11 72.36 58.41 17.20 73.84 58.08 16.96 3 0 4.10-999 ?-999 ?-999 ? CHB HEM D 147 mLEU~D 68 71.83 56.97 19.04 72.54 57.53 19.45 69.64 56.18 19.97 68.87 55.21 20.05 71.12 55.91 19.74 71.92 55.44 20.95 3 0 6.27-999 ?-999 ?-999 ? CMB HEM D 147 mGLY~D 69 69.23 57.43 20.08 69.96 58.11 20.07 67.11 57.40 18.88 65.97 56.88 18.83 67.78 57.71 20.23-999.99-999.99-999.99 1 0 7.44-999 ?-999 ?-999 ? CMA HEM D 147 mALA~D 70 67.82 57.67 17.79 68.73 58.05 17.96 67.17 55.92 16.24 66.15 55.37 15.75 67.22 57.42 16.44 67.93 58.20 15.37 2 0 4.72-999 ?-999 ?-999 ? CMB HEM D 147 mPHE~D 71 68.24 55.27 16.69 68.97 55.86 17.04 67.12 53.19 17.42 66.46 52.28 16.92 68.31 53.81 16.67 69.69 53.35 17.15 3 0 4.60-999 ?-999 ?-999 ? CMB HEM D 147 mSER~D 72 66.86 53.60 18.64 67.54 54.28 18.93 64.44 53.34 18.79 63.63 52.41 18.88 65.79 53.19 19.50 65.67 53.98 20.78 2 0 8.29-999 ?-999 ?-999 ? CMB HEM D 147 mASP~D 73 64.21 54.47 18.15 64.97 55.11 18.26 62.74 53.66 16.31 61.60 53.19 16.22 62.99 54.74 17.38 62.96 56.15 16.77 2 0 8.72-999 ?-999 ?-999 ? CMB HEM D 147 mGLY~D 74 63.74 53.26 15.55 64.61 53.73 15.73 63.16 50.88 15.17 62.59 49.99 14.53 63.54 52.21 14.54-999.99-999.99-999.99 1 0 8.21-999 ?-999 ?-999 ? CMB HEM D 147 mLEU~D 75 63.48 50.68 16.43 63.93 51.47 16.86 61.69 49.27 17.31 61.24 48.14 17.55 63.18 49.41 17.10 64.00 49.29 18.38 3 0 10.69-999 ?-999 ?-999 ? CMB HEM D 147 mALA~D 76 61.02 50.40 17.25 61.59 51.20 17.06 58.82 50.12 16.18 57.60 49.88 16.20 59.56 50.42 17.48 59.17 51.72 18.12 2 0 13.12-999 ?-999 ?-999 ? CMB HEM D 147 mHIS~D 77 59.55 50.09 15.10 60.50 50.27 15.35 60.05 48.87 12.98 60.47 49.16 11.82 59.14 49.84 13.73 59.07 51.17 12.90 3 0 13.14-999 ?-999 ?-999 ? CMB HEM D 147 mLEU.D 78 60.37 47.72 13.54 59.96 47.60 14.44 60.73 46.38 11.52 61.47 45.93 10.65 61.25 46.73 12.90 61.32 45.49 13.81 3 0 13.33-999 ?-999 ?-999 ? CMB HEM D 147 mASP.D 79 59.43 46.61 11.40 58.98 46.97 12.22 58.92 47.36 9.05 58.90 46.92 7.87 58.74 46.32 10.14 57.30 45.85 10.41 2 0 15.81-999 ?-999 ?-999 ? CMB HEM D 147 mASN.D 80 59.09 48.63 9.35 59.06 48.80 10.33 60.55 50.51 8.68 60.43 51.71 8.96 59.31 49.68 8.35 58.09 50.55 8.05 2 0 14.04-999 ?-999 ?-999 ? CMB HEM D 147 mLEU~D 81 61.70 49.83 8.62 61.61 48.86 8.39 63.17 51.55 7.74 63.46 52.73 7.95 62.97 50.55 8.89 64.10 49.56 9.06 3 0 10.57-999 ?-999 ?-999 ? CMB HEM D 147 mLYS~D 82 62.98 51.03 6.52 62.73 50.06 6.53 62.40 53.16 5.47 62.96 54.24 5.24 63.13 51.83 5.30 62.65 51.09 4.07 2 0 11.93-999 ?-999 ?-999 ? CMB HEM D 147 mGLY~D 83 61.17 53.08 5.93 60.88 52.14 6.10 60.76 55.09 7.34 60.79 56.34 7.20 60.31 54.23 6.18-999.99-999.99-999.99 1 0 12.82-999 ?-999 ?-999 ? CMB HEM D 147 mTHR~D 84 61.12 54.47 8.45 61.03 53.48 8.42 62.89 56.03 9.34 63.07 57.08 9.99 61.61 55.26 9.61 61.76 54.35 10.91 2 0 9.89-999 ?-999 ?-999 ? CMB HEM D 147 mPHE.D 85 63.76 55.61 8.45 63.40 54.81 7.96 65.26 56.80 6.81 66.43 57.14 6.45 65.07 56.15 8.16 66.14 55.03 8.34 3 0 7.72-999 ?-999 ?-999 ? CMB HEM D 147 mALA~D 86 64.21 57.01 6.03 63.34 56.74 6.44 64.96 58.97 4.73 65.83 59.30 3.91 64.38 57.58 4.68 63.11 57.61 3.86 2 0 10.91-999 ?-999 ?-999 ? CMB HEM D 147 mTHR~D 87 64.44 59.75 5.64 63.74 59.29 6.18 66.35 61.22 6.23 67.14 61.97 5.61 64.88 61.16 5.81 63.94 61.99 6.77 2 0 9.08-999 ?-999 ?-999 ? CBA HEM D 147 mLEU~D 88 66.64 60.41 7.26 65.86 59.91 7.64 68.91 59.75 6.66 70.09 60.17 6.65 68.00 60.29 7.76 68.01 59.43 9.04 3 0 6.54-999 ?-999 ?-999 ? CMA HEM D 147 mSER~D 89 68.40 58.86 5.80 67.44 58.61 5.97 69.67 59.47 3.77 70.87 59.65 3.43 69.26 58.33 4.71 68.66 57.19 3.97 2 0 8.86-999 ?-999 ?-999 ? C1B HEM D 147 mGLU~D 90 68.70 60.27 3.39 67.81 60.02 3.77 69.93 62.42 3.06 70.81 62.94 2.36 68.93 61.41 2.48 67.65 62.19 2.22 2 0 10.52-999 ?-999 ?-999 ? CBA HEM D 147 mLEU~D 91 69.78 62.71 4.32 69.00 62.22 4.71 72.07 63.19 5.12 72.99 64.01 4.91 70.61 63.63 5.09 70.00 63.70 6.50 3 0 7.46-999 ?-999 ?-999 ? CBA HEM D 147 mHIS~D 92 72.27 61.91 5.41 71.42 61.39 5.55 74.35 61.26 4.18 75.60 61.38 4.17 73.60 61.32 5.50 73.54 59.92 6.16 3 0 6.61-999 ?-999 ?-999 ? FE HEM D 147 mCYH~D 93 73.63 61.09 3.09 72.66 60.97 3.29 74.41 62.51 1.25 75.52 63.03 1.09 74.18 61.08 1.74 73.25 60.33 0.80 2 0 10.06-999 ?-999 ?-999 ? CHD HEM D 147 mASP~D 94 73.32 63.22 1.04 72.50 62.72 1.30 73.93 65.63 1.36 74.69 66.47 0.79 73.29 64.57 0.50 71.86 64.88 0.02 2 0 11.69-999 ?-999 ?-999 ? C3D HEM D 147 mLYS.D 95 73.66 65.66 2.65 73.03 64.95 2.98 75.54 66.26 4.18 76.50 67.07 4.19 74.26 66.68 3.50 73.33 67.26 4.56 2 0 8.76-999 ?-999 ?-999 ? CAD HEM D 147 mLEU.D 96 75.60 65.07 4.76 74.79 64.49 4.65 77.83 64.00 4.64 78.99 63.95 5.09 76.82 64.71 5.49 76.44 63.97 6.80 3 0 5.97-999 ?-999 ?-999 ? CMD HEM D 147 mHIS.D 97 77.50 63.38 3.52 76.53 63.47 3.29 79.18 61.52 3.56 80.43 61.35 3.49 78.52 62.64 2.75 79.70 63.53 2.23 3 0 8.38-999 ?-999 ?-999 ? CMD HEM D 147 mVAL.D 98 78.39 60.73 4.27 77.42 60.96 4.23 79.01 58.32 4.22 77.96 57.83 3.77 78.98 59.61 5.04 78.22 59.45 6.37 3 0 6.10-999 ?-999 ?-999 ? CAC HEM D 147 mASP.D 99 80.17 57.74 4.01 80.97 58.24 4.35 79.39 55.46 4.27 79.80 55.37 5.44 80.17 56.41 3.32 81.62 56.00 3.27 2 0 7.94-999 ?-999 ?-999 ? CAC HEM D 147 mPRO~D 100 78.41 54.77 3.75 78.30 54.95 2.78 78.24 52.64 5.11 77.71 51.90 5.95 77.55 53.83 4.49 76.45 53.38 3.54 3 0 7.52-999 ?-999 ?-999 ? CMC HEM D 147 mGLU~D 101 79.50 52.45 4.73 79.83 53.09 4.04 80.40 51.63 6.84 80.43 50.70 7.68 80.28 51.37 5.34 81.62 51.19 4.66 2 0 7.95-999 ?-999 ?-999 ? CMC HEM D 147 mASN~D 102 80.44 52.93 7.17 80.41 53.55 6.39 79.31 52.90 9.35 79.45 52.67 10.57 80.53 53.40 8.57 80.61 54.95 8.61 2 0 4.44-999 ?-999 ?-999 ? CMC HEM D 147 mPHE~D 103 78.15 52.79 8.69 78.17 53.04 7.72 77.15 50.88 9.95 76.62 50.42 10.99 76.96 52.32 9.47 75.67 52.46 8.65 3 0 4.40-999 ?-999 ?-999 ? CMC HEM D 147 mARG~D 104 77.87 50.16 9.11 78.21 50.64 8.30 79.13 48.63 10.58 78.99 47.75 11.48 78.12 48.74 9.45 78.63 48.01 8.20 2 0 7.42-999 ?-999 ?-999 ? CMC HEM D 147 mLEU~D 105 80.15 49.48 10.55 80.15 50.09 9.76 80.47 49.84 12.93 80.75 49.17 13.95 81.17 49.52 11.60 82.33 50.48 11.37 3 0 6.82-999 ?-999 ?-999 ? CMC HEM D 147 mLEU~D 106 79.62 50.87 12.86 79.51 51.32 11.98 78.07 50.10 14.63 77.95 49.90 15.86 78.94 51.24 14.11 78.19 52.55 13.97 3 0 5.17-999 ?-999 ?-999 ? CMC HEM D 147 mGLY~D 107 77.45 49.36 13.72 77.65 49.63 12.77 77.35 47.19 14.87 76.82 46.60 15.85 76.56 48.25 14.12-999.99-999.99-999.99 1 0 6.68-999 ?-999 ?-999 ? CBB HEM D 147 mASN~D 108 78.57 46.90 14.44 78.88 47.45 13.66 79.89 46.33 16.45 79.96 45.52 17.39 79.35 45.83 15.11 80.50 45.35 14.24 2 0 10.38-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 109 80.23 47.62 16.49 80.13 48.13 15.63 79.62 48.11 18.82 79.84 47.74 19.98 80.73 48.17 17.78 81.31 49.58 17.51 3 0 10.01-999 ?-999 ?-999 ? CMC HEM D 147 mLEU~D 110 78.40 48.47 18.40 78.36 48.76 17.45 77.04 47.05 19.82 76.80 46.77 21.00 77.24 48.44 19.32 76.02 49.06 18.58 3 0 8.95-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 111 77.17 46.07 18.94 77.35 46.38 18.01 78.04 44.36 20.51 77.72 43.65 21.47 77.03 44.65 19.40 77.01 43.63 18.23 3 0 11.56-999 ?-999 ?-999 ? CBB HEM D 147 mCYH~D 112 79.26 44.84 20.36 79.40 45.36 19.52 79.95 45.36 22.64 80.24 44.85 23.70 80.31 44.64 21.32 81.69 45.08 20.87 2 0 14.08-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 113 79.36 46.52 22.53 79.18 46.81 21.59 77.91 46.58 24.50 77.93 46.49 25.74 79.01 47.28 23.74 78.71 48.73 23.32 3 0 13.50-999 ?-999 ?-999 ? CBB HEM D 147 mLEU~D 114 76.90 46.06 23.81 76.96 46.18 22.82 76.36 44.15 25.20 75.95 43.91 26.35 75.80 45.38 24.47 74.67 45.05 23.48 3 0 14.00-999 ?-999 ?-999 ? CBB HEM D 147 mALA~D 115 77.24 43.42 24.54 77.45 43.78 23.63 78.61 42.52 26.41 78.53 41.81 27.42 77.84 42.20 25.12 78.77 41.56 24.08 2 0 17.03-999 ?-999 ?-999 ? CBB HEM D 147 mHIS~D 116 79.38 43.60 26.33 79.35 44.04 25.44 79.26 44.46 28.64 79.49 44.15 29.81 80.17 44.06 27.48 80.96 45.34 27.11 3 0 18.42-999 ?-999 ?-999 ? CBB HEM D 147 mHIS~D 117 78.23 45.19 28.32 78.22 45.35 27.33 76.32 44.68 29.86 75.98 44.82 31.06 77.22 45.72 29.23 76.37 46.78 28.48 3 0 18.07-999 ?-999 ?-999 ? CBB HEM D 147 mPHE~D 118 75.93 43.62 29.14 76.32 43.60 28.22 75.69 41.27 29.94 74.92 40.45 30.50 75.04 42.58 29.60 73.87 42.33 28.61 3 0 19.59-999 ?-999 ?-999 ? CBB HEM D 147 mGLY~D 119 76.96 41.07 29.57 77.40 41.81 29.07 76.80 38.58 29.37 76.32 38.54 28.23 77.56 39.77 29.93-999.99-999.99-999.99 1 0 21.86-999 ?-999 ?-999 ? CBB HEM C 142 mLYS~D 120 76.73 37.55 30.24 77.16 37.74 31.12 74.69 36.39 29.40 74.16 35.47 28.74 76.09 36.28 29.94 76.15 35.33 31.15 2 0 22.06-999 ?-999 ?-999 ? CBB HEM C 142 mGLU~D 121 74.00 37.50 29.67 74.50 38.18 30.20 72.62 37.85 27.66 71.60 37.67 26.94 72.62 37.66 29.18 72.02 38.90 29.82 2 0 22.35-999 ?-999 ?-999 ? CBB HEM D 147 mPHE.D 122 73.76 38.32 27.14 74.49 38.49 27.80 74.25 37.23 25.03 75.42 37.09 24.60 73.85 38.57 25.68 74.91 39.65 25.39 3 0 19.38-999 ?-999 ?-999 ? CBB HEM D 147 mTHR.D 123 73.33 36.28 25.02 72.47 36.59 25.41 73.76 34.91 22.96 73.38 35.86 22.28 73.60 34.93 24.47 72.38 34.00 24.90 2 0 19.92-999 ?-999 ?-999 ? CBC HEM C 142 mPRO~D 124 74.32 33.82 22.44 74.60 33.14 23.12 73.26 34.00 20.22 73.28 34.86 19.35 74.51 33.66 21.00 75.04 32.24 20.84 3 0 16.38-999 ?-999 ?-999 ? CBC HEM C 142 mPRO~D 125 72.13 33.41 20.53 72.22 32.74 21.27 70.45 35.16 19.95 69.91 35.75 18.98 70.89 33.71 19.84 69.89 32.70 20.38 3 0 18.08-999 ?-999 ?-999 ? CBC HEM C 142 mVAL~D 126 70.68 35.82 21.08 71.10 35.26 21.79 71.24 38.06 20.33 70.79 39.04 19.66 70.32 37.25 21.24 70.39 37.67 22.73 3 0 18.31-999 ?-999 ?-999 ? CBB HEM D 147 mGLN~D 127 72.53 37.74 20.34 72.79 37.01 20.97 73.02 38.37 17.98 73.09 39.35 17.25 73.45 38.49 19.44 74.88 37.90 19.53 2 0 16.32-999 ?-999 ?-999 ? CBB HEM D 147 mALA~D 128 72.70 37.14 17.54 72.81 36.45 18.26 71.04 37.69 15.80 71.08 38.21 14.69 72.23 36.78 16.20 71.78 35.33 16.10 2 0 15.97-999 ?-999 ?-999 ? CBC HEM C 142 mALA~D 129 70.06 37.85 16.68 70.19 37.33 17.52 69.40 40.15 16.29 69.04 40.90 15.36 68.89 38.72 16.42 67.90 38.51 17.56 2 0 15.75-999 ?-999 ?-999 ? CBB HEM D 147 mTYR~D 130 70.30 40.57 17.19 70.54 39.89 17.88 71.71 42.14 15.88 71.76 43.25 15.33 70.88 41.92 17.14 71.69 42.22 18.44 3 0 12.46-999 ?-999 ?-999 ? CBB HEM D 147 mGLN~D 131 72.33 41.09 15.34 72.21 40.24 15.85 72.17 41.51 12.94 72.56 42.35 12.14 73.12 41.21 14.11 74.02 40.05 13.75 2 0 12.54-999 ?-999 ?-999 ? CBB HEM D 147 mLYS~D 132 71.04 40.87 12.95 70.99 40.22 13.71 69.45 42.50 12.05 69.28 43.15 11.02 69.96 41.04 11.97 68.79 40.11 12.19 2 0 13.10-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 133 69.23 43.01 13.25 69.39 42.36 13.99 69.81 45.40 12.98 69.51 46.38 12.23 68.77 44.40 13.43 68.30 44.54 14.91 3 0 10.16-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 134 71.07 45.27 13.38 71.27 44.47 13.95 72.26 46.32 11.43 72.55 47.40 10.87 72.06 46.30 12.94 73.36 46.31 13.74 3 0 7.50-999 ?-999 ?-999 ? CBB HEM D 147 mALA~D 135 72.20 45.18 10.79 72.06 44.41 11.42 71.09 45.72 8.69 71.27 46.39 7.67 72.30 45.03 9.35 72.26 43.56 8.94 2 0 9.72-999 ?-999 ?-999 ? CBB HEM D 147 mGLY~D 136 69.94 45.51 9.30 70.04 44.92 10.10 68.73 47.57 8.92 68.32 48.28 7.95 68.66 46.07 8.84-999.99-999.99-999.99 1 0 9.94-999 ?-999 ?-999 ? CBB HEM D 147 mVAL~D 137 69.23 48.11 10.01 69.49 47.43 10.70 70.42 50.12 9.21 70.22 51.22 8.63 69.36 49.57 10.16 69.56 49.99 11.61 3 0 6.42-999 ?-999 ?-999 ? CBB HEM D 147 mALA~D 138 71.56 49.48 9.00 71.67 48.63 9.52 72.00 50.11 6.60 72.21 51.11 5.89 72.55 50.04 8.03 73.81 49.19 8.15 2 0 6.50-999 ?-999 ?-999 ? CAB HEM D 147 mASN~D 139 71.27 49.10 6.14 71.19 48.38 6.83 69.59 50.10 4.62 69.48 50.75 3.59 70.65 49.01 4.81 70.06 47.61 4.55 2 0 9.99-999 ?-999 ?-999 ? CAB HEM D 147 mALA~D 140 68.77 50.28 5.64 68.95 49.66 6.41 68.40 52.67 5.53 67.89 53.51 4.78 67.71 51.31 5.63 66.84 51.24 6.87 2 0 9.62-999 ?-999 ?-999 ? CAB HEM D 147 mLEU~D 141 69.50 52.87 6.25 69.80 52.08 6.78 70.97 54.34 4.91 71.26 55.50 4.52 70.20 54.17 6.22 71.05 54.36 7.45 3 0 7.25-999 ?-999 ?-999 ? CAB HEM D 147 mALA~D 142 71.31 53.25 4.24 71.02 52.39 4.66 71.14 53.52 1.76 71.56 53.84 0.64 72.06 53.37 2.98 72.90 52.11 2.80 2 0 9.88-999 ?-999 ?-999 ? CAB HEM D 147 mHIS.D 143 69.90 53.21 1.96 69.75 53.01 2.93 68.64 54.33 0.08 68.36 54.08 -1.14 68.83 53.15 0.99 67.50 52.64 1.62 3 0 12.65-999 ?-999 ?-999 ? CAB HEM D 147 mLYS.D 144 68.82 55.57 0.52 69.07 55.61 1.49 69.91 57.32 -0.98 69.84 58.44 -1.54 68.64 56.75 -0.34 68.00 57.91 0.42 2 0 13.85-999 ?-999 ?-999 ? C2B HEM D 147 mTYR.D 145 71.03 56.65 -0.89 70.90 55.81 -0.37 72.20 56.97 -2.97 71.38 56.15 -3.42 72.32 57.03 -1.45 73.44 56.08 -0.94 3 0 13.81-999 ?-999 ?-999 ? N C HEM D 147 mHIS.D 146 72.97 57.80 -3.63 73.57 58.35 -3.05 74.08 58.70 -5.64 74.77 59.30 -4.78 72.91 57.89 -5.10 71.60 58.62 -5.56 3 0 14.40-999 ?-999 ?-999 ? CBC HEM A 142