HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-SEP-09 3JR7 COMPND UNCHARACTERIZED EGV FAMILY PROTEIN COG1307; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS GNAVUS; SOURCE 3 ORGANISM_TAXID: 411470; SOURCE 4 STRAIN: ATCC 29149; SOURCE 5 GENE: RUMGNA_03254; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR R.ZHANG,C.HATZOS,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 20 8 HET MSE A 36 8 HET MSE A 89 8 HET MSE A 158 8 HET MSE A 209 8 HET MSE A 226 8 HET MSE A 233 8 HET MSE B 20 8 HET MSE B 36 8 HET MSE B 89 8 HET MSE B 158 8 HET MSE B 209 8 HET MSE B 226 8 HET MSE B 233 8 HET PG6 A 299 18 HET PO4 A 300 5 HET NA A 301 1 HET NA A 302 1 HET NA A 303 1 HET PG6 B 299 18 HET PO4 B 300 5 HET NA B 301 1 SSBOND 1 CYS A 169 CYS B 169 1555 1555 2.16 SITE 1 AC1 11 LEU A 47 THR A 80 SER A 81 LEU A 108 SITE 1 AC2 5 GLN A 130 THR A 159 PHE A 160 HOH A 529 SITE 1 AC3 1 ARG A 224 SITE 1 AC4 1 ARG A 87 SITE 1 AC5 11 LEU B 47 THR B 80 CYS B 82 LEU B 108 SITE 1 AC6 7 ASN A 204 HOH A 333 LYS B 23 CYS B 94 SITE 1 AC7 1 CYS B 77 mLYS.A 18 51.65 56.78 32.33 52.65 56.76 32.37 49.64 55.40 32.06 50.06 54.70 31.12 50.17 56.82 32.26 49.70 57.74 31.13 2 0 12.80-999 ?-999 ?-999 ? O1 PO4 A 300 mASP.A 19 48.72 55.00 32.94 48.39 55.74 33.53 46.89 53.41 32.37 45.84 53.51 32.99 48.23 53.62 33.05 48.12 53.21 34.52 2 0 9.39-999 ?-999 ?-999 ? O1 PO4 A 300 mMETA 20 46.93 53.09 31.10 47.75 53.37 30.61 46.35 50.99 30.18 46.27 50.51 29.04 45.83 52.38 30.51 45.37 53.05 29.24 2 0 10.25-999 ?-999 ?-999 ? O1 PO4 A 300 mSER.A 21 46.86 50.31 31.19 46.92 50.81 32.05 46.10 48.00 31.12 45.97 47.32 32.10 47.30 48.93 30.97 48.41 48.58 31.94 2 0 8.86-999 ?-999 ?-999 ? O1 PO4 A 300 mTYR^A 22 45.19 48.03 30.15 45.38 48.70 29.44 43.66 46.67 28.76 43.97 47.35 27.80 44.03 47.13 30.16 42.84 47.80 30.83 3 0 9.41-999 ?-999 ?-999 ? O1 PO4 A 300 mLYS^A 23 42.98 45.54 28.65 42.92 45.01 29.49 40.95 44.65 27.65 40.69 44.03 28.69 42.40 45.13 27.39 43.25 44.05 26.74 2 0 12.64-999 ?-999 ?-999 ? O1 PO4 A 300 mVAL^A 24 40.06 44.93 26.71 40.43 45.52 25.99 38.45 43.44 25.63 38.48 43.79 24.42 38.66 44.44 26.73 37.61 45.56 26.57 3 0 14.55-999 ?-999 ?-999 ? O2 PO4 A 300 mILE^A 25 38.28 42.19 26.03 38.32 42.08 27.02 36.52 40.85 25.06 35.88 40.73 26.08 38.04 41.09 25.11 38.70 39.81 25.62 3 0 16.17-999 ?-999 ?-999 ? NA NA A 303 mVAL^A 26 35.97 40.76 23.88 36.64 40.82 23.14 34.36 39.42 22.71 35.07 39.35 21.69 34.55 40.58 23.67 33.95 41.86 23.06 3 0 13.11-999 ?-999 ?-999 ? C11 PG6 A 299 mASP^A 27 33.45 38.49 23.00 32.99 38.56 23.89 32.55 38.08 20.79 32.07 39.21 20.83 33.21 37.45 22.02 32.44 36.22 22.56 2 0 9.63-999 ?-999 ?-999 ? C11 PG6 A 299 mSER.A 28 32.60 37.36 19.66 32.80 36.39 19.78 30.89 38.43 18.18 30.56 39.21 17.34 32.37 38.02 18.36 32.81 37.11 17.23 2 0 9.59-999 ?-999 ?-999 ? C11 PG6 A 299 mCYH.A 29 30.02 37.92 19.03 30.40 37.25 19.67 28.49 39.83 19.23 27.67 40.52 18.59 28.61 38.34 18.98 27.76 37.53 19.96 2 0 6.76-999 ?-999 ?-999 ? C6 PG6 A 299 mGLY.A 30 29.33 40.35 20.11 30.00 39.71 20.49 29.86 42.62 19.40 31.08 42.54 19.18 29.27 41.74 20.47-999.99-999.99-999.99 1 0 8.76-999 ?-999 ?-999 ? C6 PG6 A 299 mGLU.A 31 29.05 43.48 18.78 28.11 43.51 19.14 30.49 45.37 18.12 30.35 45.84 19.21 29.52 44.29 17.66 28.34 44.98 16.92 2 0 10.45-999 ?-999 ?-999 ? C6 PG6 A 299 mPHE.A 32 31.48 45.75 17.31 31.60 45.15 16.52 31.89 48.08 16.63 31.72 47.84 15.44 32.30 46.96 17.56 33.81 46.74 17.32 3 0 14.29-999 ?-999 ?-999 ? C6 PG6 A 299 mTHR~A 33 31.79 49.29 17.15 31.82 49.32 18.15 32.97 50.79 15.65 34.01 50.28 16.06 31.64 50.47 16.32 31.22 51.69 17.13 2 0 16.37-999 ?-999 ?-999 ? O3 PG6 A 299 mPRO~A 34 32.95 51.66 14.61 32.05 51.97 14.33 35.22 52.62 14.99 36.40 52.29 14.96 34.22 52.08 13.97 33.77 53.22 13.04 3 0 19.71-999 ?-999 ?-999 ? O3 PG6 A 299 mGLU~A 35 34.72 53.41 15.91 33.72 53.51 15.88 36.21 53.03 17.80 37.37 53.18 18.20 35.56 54.07 16.86 34.76 55.12 17.63 2 0 21.58-999 ?-999 ?-999 ? O3 PG6 A 299 mMETA 36 35.47 51.95 18.09 34.56 51.92 17.69 37.05 50.10 18.15 38.06 49.70 18.71 36.00 50.90 18.93 34.89 49.99 19.44 2 0 19.63-999 ?-999 ?-999 ? C6 PG6 A 299 mLYS~A 37 36.80 49.85 16.88 35.88 50.09 16.57 39.09 50.15 15.95 40.19 49.66 16.03 37.84 49.26 16.04 37.29 48.93 14.67 2 0 20.16-999 ?-999 ?-999 ? C6 PG6 A 299 mALA~A 38 38.92 51.47 15.85 37.95 51.74 15.84 40.78 52.58 17.08 41.93 52.99 17.10 40.01 52.42 15.75 39.48 53.79 15.30 2 0 23.83-999 ?-999 ?-999 ? C6 PG6 A 299 mASP~A 39 40.13 52.22 18.19 39.24 51.79 18.03 41.89 51.57 19.84 42.90 52.10 20.33 40.71 52.44 19.50 39.65 52.25 20.58 2 0 20.85-999 ?-999 ?-999 ? O2 PO4 A 300 mGLY~A 40 41.77 50.25 19.67 40.87 49.96 19.33 42.80 48.56 21.32 43.33 47.47 21.48 42.88 49.32 19.98-999.99-999.99-999.99 1 0 19.73-999 ?-999 ?-999 ? O1 PO4 A 300 mGLY.A 41 42.12 49.14 22.31 41.80 50.07 22.12 40.82 47.31 23.47 40.63 46.61 24.45 41.90 48.41 23.54-999.99-999.99-999.99 1 0 16.32-999 ?-999 ?-999 ? O1 PO4 A 300 mPHE^A 42 40.12 47.16 22.34 40.36 47.81 21.62 39.54 44.99 21.29 40.08 45.28 20.22 39.09 46.10 22.21 37.77 46.67 21.67 3 0 18.32-999 ?-999 ?-999 ? O2 PO4 A 300 mGLU^A 43 39.29 43.75 21.67 38.81 43.67 22.55 38.58 41.59 20.86 37.95 41.33 21.90 39.69 42.60 20.88 40.94 41.95 21.49 2 0 16.27-999 ?-999 ?-999 ? NA NA A 303 mHIS^A 44 38.32 41.00 19.70 38.88 41.33 18.93 37.95 38.60 19.77 39.08 38.40 19.35 37.29 39.97 19.59 36.60 39.93 18.20 3 0 13.80-999 ?-999 ?-999 ? NA NA A 303 mVAL^A 45 37.19 37.68 20.34 36.41 38.08 20.82 36.28 35.63 19.53 35.09 35.79 19.92 37.43 36.24 20.30 37.58 35.65 21.72 3 0 10.28-999 ?-999 ?-999 ? NA NA A 303 mALA.A 46 36.60 34.97 18.42 37.58 34.78 18.33 34.89 33.28 17.81 35.51 32.31 18.32 35.60 34.54 17.43 36.28 34.38 16.04 2 0 9.30-999 ?-999 ?-999 ? NA NA A 303 mLEU.A 47 33.58 33.29 17.60 33.18 34.19 17.43 32.84 31.39 16.24 33.30 31.99 15.27 32.80 32.06 17.61 31.33 32.36 17.97 3 0 -7.10-999 ?-999 ?-999 ? C12 PG6 A 299s mGLY^A 48 32.36 30.16 16.18 32.11 29.80 17.08 30.80 29.41 14.39 29.86 29.45 15.17 32.22 29.42 14.91-999.99-999.99-999.99 1 0 7.27-999 ?-999 ?-999 ? C12 PG6 A 299 mILE^A 49 30.64 29.34 13.06 31.48 29.40 12.53 29.40 28.04 11.49 30.35 27.95 10.75 29.31 29.20 12.45 28.88 30.46 11.68 3 0 7.82-999 ?-999 ?-999 ? C12 PG6 A 299 mGLN^A 50 28.41 27.17 11.55 27.72 27.43 12.23 26.98 25.90 9.98 25.92 25.84 10.61 28.33 25.97 10.72 28.53 24.74 11.60 2 0 9.67-999 ?-999 ?-999 ? C12 PG6 A 299 mILE^A 51 27.03 25.92 8.65 27.96 26.00 8.30 26.14 24.81 6.70 27.05 25.01 5.90 25.84 25.83 7.80 25.48 27.16 7.13 3 0 12.49-999 ?-999 ?-999 ? C12 PG6 A 299 mGLU.A 52 25.44 23.70 6.72 24.73 23.70 7.43 27.16 22.15 5.92 27.52 21.70 7.00 25.70 22.58 5.78 25.25 22.97 4.37 2 0 15.43-999 ?-999 ?-999 ? C12 PG6 A 299 mASP.A 53 28.00 22.30 4.89 27.58 22.74 4.09 30.38 22.96 5.09 31.62 22.77 4.98 29.41 21.83 4.98 29.79 21.02 3.73 2 0 16.60-999 ?-999 ?-999 ? C12 PG6 A 299 mTHR^A 54 29.83 24.16 5.26 28.83 24.19 5.25 30.80 25.51 6.94 29.88 25.35 7.72 30.63 25.31 5.42 29.99 26.54 4.76 2 0 15.31-999 ?-999 ?-999 ? C12 PG6 A 299 mGLN^A 55 32.02 25.80 7.31 32.69 25.81 6.56 33.10 27.34 8.53 34.13 27.36 7.83 32.37 26.06 8.67 33.37 25.05 9.15 2 0 12.53-999 ?-999 ?-999 ? NA NA A 303 mTRP^A 56 32.61 28.38 9.19 31.78 28.18 9.72 33.56 30.18 10.58 32.95 29.76 11.54 33.22 29.68 9.16 32.23 30.68 8.59 3 0 12.03-999 ?-999 ?-999 ? NA NA A 303 mTHR^A 57 34.47 31.13 10.65 34.92 31.32 9.78 34.09 33.18 11.76 34.10 33.84 10.69 34.80 31.84 11.85 36.33 31.96 12.02 2 0 10.04-999 ?-999 ?-999 ? NA NA A 303 mASP.A 58 33.41 33.55 12.85 33.42 32.89 13.61 33.74 35.90 13.13 34.03 36.30 14.25 32.72 34.82 12.92 31.66 34.84 14.03 2 0 10.63-999 ?-999 ?-999 ? C11 PG6 A 299 mASP.A 59 34.27 36.41 12.02 33.96 36.01 11.16 35.04 38.43 10.91 34.09 38.31 10.10 35.22 37.47 12.10 36.63 36.89 12.24 2 0 13.59-999 ?-999 ?-999 ? NA NA A 303 mASP.A 60 35.94 39.39 10.82 36.74 39.25 11.42 35.95 40.16 8.48 35.59 40.92 7.59 35.79 40.55 9.93 36.79 41.61 10.35 2 0 16.82-999 ?-999 ?-999 ? C6 PG6 A 299 mSER.A 61 36.42 38.95 8.25 36.67 38.43 9.06 35.22 37.90 6.37 35.08 37.66 5.16 36.55 38.46 6.89 37.65 37.40 6.85 2 0 16.99-999 ?-999 ?-999 ? NA NA A 303 mLEU.A 62 34.25 37.65 7.24 34.46 37.89 8.19 31.97 38.18 6.53 31.52 38.84 7.44 32.98 37.07 6.78 32.43 36.06 7.77 3 0 16.39-999 ?-999 ?-999 ? C6 PG6 A 299 mLYS~A 63 31.63 38.39 5.26 32.07 37.77 4.61 29.28 39.05 5.18 28.90 37.93 4.87 30.68 39.47 4.91 30.83 39.86 3.44 2 0 16.64-999 ?-999 ?-999 ? C6 PG6 A 299 mGLN~A 64 28.49 39.97 5.74 28.94 40.86 5.87 26.32 39.15 4.90 25.54 38.23 5.01 27.10 39.70 6.10 26.43 40.99 6.65 2 0 14.02-999 ?-999 ?-999 ? C6 PG6 A 299 mGLU~A 65 26.55 39.74 3.73 27.28 40.42 3.73 25.99 37.91 2.24 25.07 37.11 2.09 25.74 39.38 2.56 26.02 40.32 1.34 2 0 16.86-999 ?-999 ?-999 ? O3 PG6 A 299 mGLU~A 66 27.26 37.51 2.23 27.94 38.22 2.39 26.91 35.18 3.01 26.44 34.07 2.75 27.56 36.10 1.98 29.08 35.90 1.95 2 0 17.86-999 ?-999 ?-999 ? C6 PG6 A 299 mLEU~A 67 26.91 35.62 4.25 27.34 36.51 4.40 24.80 34.71 5.12 24.22 33.65 5.22 26.31 34.79 5.29 26.68 35.39 6.67 3 0 14.49-999 ?-999 ?-999 ? C6 PG6 A 299 mLEU~A 68 24.15 35.83 4.87 24.72 36.65 4.83 22.29 34.97 3.49 21.28 34.30 3.52 22.69 35.83 4.68 22.18 37.26 4.48 3 0 14.30-999 ?-999 ?-999 ? C6 PG6 A 299 mLEU~A 69 23.08 35.02 2.41 23.86 35.63 2.51 22.95 32.71 1.50 22.13 31.89 1.10 22.77 34.21 1.21 23.67 34.62 0.03 3 0 17.96-999 ?-999 ?-999 ? C6 PG6 A 299 mLYS~A 70 24.00 32.37 2.25 24.63 33.10 2.50 23.00 30.49 3.52 22.48 29.36 3.35 24.16 30.97 2.65 25.52 30.76 3.33 2 0 17.54-999 ?-999 ?-999 ? C6 PG6 A 299 mILE~A 71 22.60 31.31 4.49 23.17 32.13 4.60 20.17 30.79 4.43 19.35 29.87 4.63 21.41 30.98 5.30 21.10 32.08 6.38 3 0 14.96-999 ?-999 ?-999 ? C6 PG6 A 299 mALA~A 72 19.98 31.70 3.49 20.72 32.37 3.41 18.74 30.39 1.79 17.68 29.77 1.60 18.75 31.66 2.66 18.67 32.92 1.82 2 0 17.45-999 ?-999 ?-999 ? C6 PG6 A 299 mGLU~A 73 19.91 30.00 1.30 20.67 30.59 1.57 19.92 27.51 1.20 19.34 26.56 0.69 20.05 28.80 0.45 21.42 28.78 -0.22 2 0 20.36-999 ?-999 ?-999 ? C6 PG6 A 299 mSER~A 74 20.47 27.47 2.41 20.86 28.33 2.73 19.13 25.91 3.78 18.55 26.67 4.58 20.48 26.26 3.18 21.49 26.35 4.32 2 0 18.12-999 ?-999 ?-999 ? C12 PG6 A 299 mTHR.A 75 18.69 24.71 3.50 19.28 24.18 2.89 17.60 23.87 5.53 16.67 24.04 6.30 17.44 24.22 4.04 16.96 22.97 3.27 2 0 19.04-999 ?-999 ?-999 ? C12 PG6 A 299 mSER.A 76 18.77 23.41 5.93 19.47 23.27 5.23 19.43 24.42 8.10 20.15 25.30 7.62 18.96 23.15 7.34 19.93 22.01 7.54 2 0 15.90-999 ?-999 ?-999 ? C12 PG6 A 299 mCYH.A 77 18.95 24.49 9.32 18.38 23.71 9.55 20.73 25.72 10.58 21.43 24.72 10.77 19.22 25.56 10.24 18.42 25.18 11.47 2 0 12.79-999 ?-999 ?-999 ? C12 PG6 A 299 mALA.A 78 21.23 26.94 10.63 20.59 27.67 10.40 22.92 26.69 12.45 22.02 26.64 13.27 22.64 27.17 11.00 23.01 28.63 10.85 2 0 10.02-999 ?-999 ?-999 ? C12 PG6 A 299 mLYS^A 79 24.16 26.30 12.71 24.75 26.31 11.90 25.78 26.77 14.38 26.42 27.30 13.47 24.60 25.89 14.07 25.06 24.42 14.12 2 0 6.90-999 ?-999 ?-999 ? C12 PG6 A 299 mTHR^A 80 26.06 26.96 15.67 25.47 26.45 16.30 27.96 27.18 17.20 27.50 26.21 17.83 27.15 27.85 16.08 26.60 29.23 16.49 2 0 -3.91-999 ?-999 ?-999 ? C12 PG6 A 299s mSER^A 81 29.17 27.68 17.45 29.46 28.41 16.84 30.65 28.27 19.29 31.13 29.19 18.66 29.96 27.14 18.56 31.01 26.11 18.07 2 0 -3.59-999 ?-999 ?-999 ? C12 PG6 A 299s mCYH.A 82 30.75 28.15 20.61 30.34 27.32 20.99 32.96 29.08 21.23 33.46 28.09 20.72 31.42 29.19 21.40 31.00 29.07 22.86 2 0 4.38-999 ?-999 ?-999 ? O6 PG6 A 299 mPRO.A 83 33.72 30.11 21.61 33.23 30.92 21.94 35.66 28.98 22.53 34.95 28.74 23.51 35.17 29.98 21.51 35.67 31.37 21.92 3 0 6.85-999 ?-999 ?-999 ? NA NA A 303 mSER~A 84 36.84 28.41 22.31 37.30 28.70 21.47 38.10 28.11 24.38 38.55 29.24 24.27 37.40 27.43 23.21 38.43 26.58 22.48 2 0 5.63-999 ?-999 ?-999 ? NA NA A 303 mPRO~A 85 38.26 27.38 25.48 37.89 26.46 25.46 40.38 28.37 26.24 40.91 29.35 26.77 38.97 27.98 26.62 38.97 26.86 27.66 3 0 8.42-999 ?-999 ?-999 ? NA NA A 303 mGLU~A 86 40.99 27.64 25.31 40.42 26.94 24.88 42.51 29.18 24.20 43.47 29.90 24.41 42.37 27.88 24.95 42.92 26.72 24.12 2 0 7.01-999 ?-999 ?-999 ? NA NA A 303 mARG~A 87 41.54 29.48 23.33 40.84 28.78 23.19 41.40 31.91 23.65 42.00 32.96 23.47 41.55 30.75 22.67 40.44 30.87 21.65 2 0 -6.14-999 ?-999 ?-999 ? NA NA A 303s mTYR~A 88 40.55 31.75 24.66 40.06 30.88 24.68 41.69 33.01 26.41 42.17 34.13 26.61 40.39 32.83 25.64 39.23 32.53 26.56 3 0 9.58-999 ?-999 ?-999 ? NA NA A 303 mMETA 89 42.27 31.88 26.84 41.77 31.03 26.62 44.60 32.71 26.80 45.28 33.57 27.36 43.55 31.94 27.56 44.08 30.54 27.90 2 0 11.13-999 ?-999 ?-999 ? NA NA A 303 mGLU~A 90 44.75 32.41 25.53 44.14 31.70 25.20 45.47 34.59 24.61 46.41 35.39 24.59 45.75 33.09 24.71 45.81 32.44 23.31 2 0 10.63-999 ?-999 ?-999 ? NA NA A 303 mSER~A 91 44.21 34.99 24.57 43.53 34.25 24.56 44.19 37.13 25.84 44.39 38.34 25.86 43.87 36.42 24.52 42.40 36.63 24.16 2 0 12.18-999 ?-999 ?-999 ? NA NA A 303 mTYR~A 92 44.22 36.40 26.94 44.01 35.43 26.79 46.05 37.24 28.36 46.52 38.14 29.05 44.54 37.00 28.24 44.06 36.10 29.39 3 0 14.98-999 ?-999 ?-999 ? NA NA A 303 mHIS~A 93 46.83 36.40 27.70 46.33 35.73 27.15 48.82 37.59 26.91 48.89 37.44 25.67 48.29 36.48 27.82 48.85 35.11 27.42 3 0 15.89-999 ?-999 ?-999 ? NA NA A 303 mCYH.A 94 49.17 38.72 27.53 49.08 38.67 28.53 50.15 40.93 27.86 50.13 40.68 29.04 49.62 39.93 26.83 48.49 40.58 26.03 2 0 15.31-999 ?-999 ?-999 ? O1 PO4 A 300 mASP.A 95 50.60 42.09 27.40 50.45 42.21 26.42 50.27 43.91 29.10 50.73 44.67 29.96 51.24 43.07 28.25 52.08 44.06 27.38 2 0 13.41-999 ?-999 ?-999 ? O1 PO4 A 300 mALA.A 96 48.96 43.81 28.85 48.73 43.18 28.10 47.87 44.01 31.00 47.73 42.79 31.19 47.97 44.58 29.61 46.56 44.59 28.93 2 0 10.60-999 ?-999 ?-999 ? O1 PO4 A 300 mGLU.A 97 47.88 44.88 31.99 47.97 45.83 31.70 46.37 43.92 33.69 46.21 42.93 34.40 47.77 44.44 33.37 48.08 45.62 34.31 2 0 7.22-999 ?-999 ?-999 ? O1 PO4 A 300 mARG^A 98 45.35 44.61 33.18 45.62 45.33 32.54 43.23 43.77 32.34 43.19 44.41 31.29 43.98 44.30 33.55 43.30 45.56 34.09 2 0 6.83-999 ?-999 ?-999 ? O1 PO4 A 300 mILE^A 99 42.62 42.60 32.49 42.75 42.19 33.39 40.38 41.87 31.79 40.01 41.31 32.83 41.86 41.96 31.43 42.36 40.56 31.14 3 0 10.32-999 ?-999 ?-999 ? O1 PO4 A 300 mTYR^A 100 39.53 42.42 30.93 39.99 42.83 30.14 37.50 41.63 29.97 37.82 41.91 28.84 38.07 42.41 31.12 37.52 43.84 31.09 3 0 11.95-999 ?-999 ?-999 ? O2 PO4 A 300 mVAL^A 101 36.67 40.64 30.24 36.47 40.54 31.21 34.58 39.97 29.20 33.95 39.94 30.28 36.10 39.79 29.19 36.49 38.31 29.41 3 0 15.64-999 ?-999 ?-999 ? O2 PO4 A 300 mVAL^A 102 33.99 40.17 28.03 34.62 40.18 27.26 31.97 39.31 27.01 32.45 39.18 25.89 32.53 40.36 27.93 32.19 41.73 27.36 3 0 13.58-999 ?-999 ?-999 ? C11 PG6 A 299 mTHR^A 103 31.02 38.52 27.50 30.72 38.77 28.42 28.98 37.47 26.64 28.29 38.15 27.40 30.47 37.40 26.76 30.81 36.01 27.41 2 0 9.98-999 ?-999 ?-999 ? C11 PG6 A 299 mLEU.A 104 28.49 36.74 25.65 29.17 36.50 24.96 26.56 35.83 26.92 27.30 35.23 27.70 27.09 36.32 25.58 26.97 35.15 24.57 3 0 6.94-999 ?-999 ?-999 ? O5 PG6 A 299 mSER.A 105 25.27 36.02 27.15 24.83 36.63 26.49 24.95 33.96 28.47 24.90 33.09 27.53 24.57 35.40 28.25 23.06 35.45 28.03 2 0 6.07-999 ?-999 ?-999 ? C1 PG6 A 299 mALA.A 106 25.27 33.65 29.72 25.27 34.42 30.36 24.42 31.36 29.86 24.59 30.16 29.73 25.60 32.27 30.10 26.09 32.18 31.55 2 0 9.05-999 ?-999 ?-999 ? C1 PG6 A 299 mGLU.A 107 23.21 31.88 29.80 23.17 32.87 29.93 21.80 30.74 28.09 20.90 29.94 27.76 22.07 31.01 29.56 20.82 31.64 30.11 2 0 7.76-999 ?-999 ?-999 ? C1 PG6 A 299 mLEU.A 108 22.52 31.42 27.19 23.19 32.05 27.59 23.51 30.55 25.05 23.41 30.18 23.89 22.33 31.22 25.75 22.03 32.57 25.10 3 0 -5.07-999 ?-999 ?-999 ? C9 PG6 A 299s mSER.A 109 24.65 30.41 25.73 24.57 30.57 26.71 26.91 29.55 26.09 26.90 30.01 27.21 25.90 30.05 25.05 26.51 31.29 24.39 2 0 -4.16-999 ?-999 ?-999 ? O6 PG6 A 299s mGLY~A 110 27.80 28.66 25.69 27.63 28.31 24.77 30.10 29.23 26.53 31.16 28.95 27.15 28.92 28.25 26.54-999.99-999.99-999.99 1 0 5.90-999 ?-999 ?-999 ? O6 PG6 A 299 mSER~A 111 29.92 30.41 25.93 28.99 30.56 25.59 31.50 31.84 27.17 32.70 31.83 27.43 31.02 31.39 25.78 30.59 32.59 24.90 2 0 6.40-999 ?-999 ?-999 ? O6 PG6 A 299 mTYR~A 112 30.57 32.22 28.04 29.65 32.23 27.65 31.70 31.49 30.14 32.79 31.74 30.63 30.88 32.59 29.43 29.63 32.84 30.26 3 0 9.66-999 ?-999 ?-999 ? O6 PG6 A 299 mASN~A 113 31.17 30.29 30.19 30.28 30.21 29.75 33.32 28.92 30.30 34.31 28.62 31.04 31.91 29.19 30.86 31.05 27.94 30.83 2 0 10.91-999 ?-999 ?-999 ? O6 PG6 A 299 mSER~A 114 33.43 29.05 28.99 32.57 29.24 28.51 35.71 29.97 28.71 36.87 29.63 28.97 34.68 28.91 28.31 34.44 28.95 26.83 2 0 10.51-999 ?-999 ?-999 ? O6 PG6 A 299 mALA~A 115 35.27 31.22 28.76 34.32 31.32 28.47 36.58 32.14 30.65 37.74 32.41 30.94 36.07 32.34 29.20 35.28 33.65 29.10 2 0 12.43-999 ?-999 ?-999 ? O6 PG6 A 299 mVAL~A 116 35.70 31.64 31.52 34.79 31.49 31.14 37.10 30.20 33.00 38.10 30.30 33.74 36.05 31.33 32.91 34.78 31.03 33.75 3 0 14.95-999 ?-999 ?-999 ? O6 PG6 A 299 mLEU~A 117 36.90 29.14 32.24 36.06 29.18 31.70 39.17 28.53 31.63 40.26 28.14 32.09 37.84 28.03 32.22 37.22 26.88 31.39 3 0 14.09-999 ?-999 ?-999 ? NA NA A 303 mGLY~A 118 39.12 29.40 30.63 38.20 29.60 30.29 41.14 30.72 31.14 42.38 30.70 31.11 40.32 29.99 30.08-999.99-999.99-999.99 1 0 12.17-999 ?-999 ?-999 ? NA NA A 303 mLYS~A 119 40.45 31.37 32.07 39.46 31.37 31.93 41.79 31.00 34.12 42.92 31.20 34.60 41.13 32.03 33.18 40.14 32.94 33.94 2 0 15.78-999 ?-999 ?-999 ? NA NA A 303 mASN~A 120 41.12 29.87 34.35 40.22 29.81 33.91 42.98 28.27 34.55 44.02 28.13 35.21 41.71 28.82 35.19 40.67 27.74 35.49 2 0 16.99-999 ?-999 ?-999 ? NA NA A 303 mLEU~A 121 42.92 28.02 33.24 42.02 28.19 32.84 45.18 28.58 32.53 46.36 28.25 32.77 44.07 27.54 32.49 43.68 27.20 31.04 3 0 14.62-999 ?-999 ?-999 ? NA NA A 303 mTYR~A 122 44.82 29.84 32.31 43.86 29.96 32.08 46.62 30.87 33.70 47.86 30.99 33.71 45.83 30.94 32.40 45.19 32.36 32.28 3 0 15.70-999 ?-999 ?-999 ? NA NA A 303 mGLU~A 123 45.90 30.74 34.80 44.93 30.57 34.65 47.40 29.60 36.36 48.44 29.75 37.02 46.52 30.82 36.09 45.47 31.11 37.17 2 0 16.99-999 ?-999 ?-999 ? O1 PO4 A 300 mGLU~A 124 47.03 28.45 35.79 46.16 28.48 35.30 49.12 27.38 35.08 50.12 26.81 35.47 47.85 27.25 35.87 47.10 26.01 35.37 2 0 19.06-999 ?-999 ?-999 ? NA NA A 303 mGLU~A 125 49.08 28.10 33.97 48.20 28.54 33.76 51.06 29.48 33.47 52.26 29.43 33.30 50.22 28.25 33.13 49.83 28.31 31.65 2 0 17.87-999 ?-999 ?-999 ? NA NA A 303 mTYR~A 126 50.47 30.57 33.93 49.51 30.47 34.18 51.13 32.51 35.38 51.71 33.58 35.54 51.23 31.80 34.04 50.81 32.79 32.96 3 0 17.56-999 ?-999 ?-999 ? O1 PO4 A 300 mGLY~A 127 50.36 31.97 36.30 49.97 31.09 36.02 48.96 33.58 37.60 48.19 33.70 36.65 50.12 32.59 37.59-999.99-999.99-999.99 1 0 15.71-999 ?-999 ?-999 ? O1 PO4 A 300 mGLU.A 128 48.86 34.29 38.71 49.61 34.12 39.35 47.77 36.41 38.01 48.79 36.94 37.67 47.77 35.21 38.99 47.88 35.74 40.45 2 0 12.46-999 ?-999 ?-999 ? O1 PO4 A 300 mLYS.A 129 46.59 36.83 37.55 45.83 36.23 37.78 45.10 38.62 37.08 44.19 37.86 37.42 46.47 38.07 36.79 46.67 37.82 35.28 2 0 9.79-999 ?-999 ?-999 ? O1 PO4 A 300 mGLN^A 130 44.94 39.95 36.94 45.77 40.47 36.73 42.86 40.31 35.82 43.02 41.03 34.85 43.64 40.56 37.10 43.77 42.05 37.42 2 0 -7.45-999 ?-999 ?-999 ? O1 PO4 A 300s mILE^A 131 42.03 39.27 35.86 42.07 38.76 36.72 39.73 38.75 35.33 39.49 38.02 36.31 41.15 38.90 34.78 41.54 37.55 34.18 3 0 10.58-999 ?-999 ?-999 ? O1 PO4 A 300 mHIS^A 132 38.78 39.44 34.73 39.11 40.04 34.00 36.52 39.06 33.91 36.59 39.79 32.91 37.38 39.32 35.12 36.87 40.55 35.87 3 0 11.96-999 ?-999 ?-999 ? O3 PO4 A 300 mVAL^A 133 35.69 38.01 34.00 35.77 37.50 34.86 33.32 38.20 33.32 32.76 37.81 34.36 34.75 37.66 32.95 34.69 36.15 32.73 3 0 15.56-999 ?-999 ?-999 ? O2 PO4 A 300 mPHE^A 134 32.77 39.09 32.49 33.36 39.36 31.73 30.43 38.77 31.85 30.55 38.65 30.63 31.41 39.63 32.69 31.30 41.09 32.24 3 0 13.81-999 ?-999 ?-999 ? C1 PG6 A 299 mASN^A 135 29.50 38.11 32.51 29.64 38.09 33.50 27.46 38.63 31.50 26.85 39.19 32.38 28.39 37.48 31.84 27.71 36.52 32.83 2 0 10.59-999 ?-999 ?-999 ? C1 PG6 A 299 mSER.A 136 27.29 38.96 30.23 27.79 38.39 29.58 24.98 39.90 30.18 24.33 40.86 30.28 26.44 40.09 29.85 26.50 40.38 28.34 2 0 8.34-999 ?-999 ?-999 ? C1 PG6 A 299 mARG.A 137 24.48 38.67 30.34 25.19 37.97 30.42 22.29 38.91 29.19 21.11 39.28 29.29 23.06 38.36 30.40 22.48 38.82 31.74 2 0 -5.45-999 ?-999 ?-999 ? C1 PG6 A 299s mSER.A 138 22.97 38.98 28.05 23.86 38.51 28.08 23.24 39.08 25.65 23.73 37.95 25.70 22.51 39.65 26.88 22.70 41.19 27.03 2 0 3.96-999 ?-999 ?-999 ? C1 PG6 A 299 mALA.A 139 23.28 39.85 24.56 22.86 40.75 24.69 24.10 40.73 22.52 23.57 41.79 22.87 23.87 39.45 23.30 22.92 38.54 22.51 2 0 4.97-999 ?-999 ?-999 ? C2 PG6 A 299 mSER~A 140 24.88 40.63 21.45 25.41 39.78 21.43 25.38 42.97 21.08 26.35 42.98 21.85 24.96 41.66 20.42 23.61 41.75 19.67 2 0 5.51-999 ?-999 ?-999 ? O3 PG6 A 299 mVAL~A 141 24.63 44.03 20.86 23.81 43.82 20.31 24.85 45.49 22.89 25.41 46.45 23.48 24.95 45.35 21.36 24.17 46.52 20.65 3 0 8.54-999 ?-999 ?-999 ? O3 PG6 A 299 mGLY~A 142 24.20 44.55 23.55 23.65 43.94 22.97 25.79 44.30 25.43 26.27 44.97 26.33 24.31 44.46 25.03-999.99-999.99-999.99 1 0 8.00-999 ?-999 ?-999 ? O1 PG6 A 299 mGLU~A 143 26.51 43.44 24.72 25.99 42.96 24.01 28.76 44.50 24.64 29.68 44.91 25.38 27.96 43.24 24.98 28.47 42.06 24.18 2 0 10.17-999 ?-999 ?-999 ? O1 PG6 A 299 mTHR~A 144 28.40 45.11 23.52 27.64 44.67 23.03 28.97 47.38 24.10 29.99 48.00 24.48 29.04 46.31 23.03 28.33 46.84 21.77 2 0 12.19-999 ?-999 ?-999 ? O3 PG6 A 299 mLEU~A 145 27.77 47.57 24.63 27.06 46.95 24.29 28.33 48.35 26.93 28.89 49.28 27.52 27.56 48.62 25.63 26.07 48.81 25.92 3 0 13.26-999 ?-999 ?-999 ? O1 PG6 A 299 mILE~A 146 28.41 47.10 27.33 27.87 46.48 26.76 30.74 47.01 28.26 31.36 47.61 29.12 29.23 46.69 28.49 29.01 45.19 28.82 3 0 13.45-999 ?-999 ?-999 ? O1 PG6 A 299 mALA~A 147 31.26 46.67 27.08 30.63 46.17 26.48 32.88 48.51 26.78 33.94 48.93 27.32 32.62 47.00 26.69 32.95 46.51 25.26 2 0 16.12-999 ?-999 ?-999 ? O1 PG6 A 299 mLEU~A 148 31.93 49.31 26.27 31.19 48.82 25.82 32.05 51.28 27.83 32.78 52.21 28.20 32.01 50.79 26.38 30.86 51.47 25.61 3 0 17.68-999 ?-999 ?-999 ? O2 PO4 A 300 mLYS~A 149 31.26 50.63 28.67 30.70 49.91 28.25 32.58 50.67 30.77 33.04 51.44 31.59 31.24 50.98 30.08 30.07 50.24 30.78 2 0 15.66-999 ?-999 ?-999 ? O2 PO4 A 300 mVAL~A 150 33.19 49.52 30.45 32.66 48.92 29.84 35.47 50.36 30.63 36.17 50.88 31.50 34.52 49.21 30.96 35.08 47.86 30.40 3 0 12.47-999 ?-999 ?-999 ? O2 PO4 A 300 mGLN~A 151 35.48 50.77 29.37 34.84 50.28 28.78 36.07 53.15 29.64 36.97 53.89 30.00 36.39 51.84 28.93 36.24 52.03 27.41 2 0 13.28-999 ?-999 ?-999 ? O2 PO4 A 300 mGLN~A 152 34.79 53.43 29.83 34.15 52.75 29.47 34.91 54.65 31.97 35.54 55.61 32.41 34.38 54.66 30.53 32.85 54.83 30.48 2 0 14.18-999 ?-999 ?-999 ? O2 PO4 A 300 mCYH~A 153 34.72 53.54 32.67 34.19 52.84 32.19 36.78 53.52 34.09 37.33 54.21 34.98 35.26 53.38 34.03 34.86 52.04 34.59 2 0 10.94-999 ?-999 ?-999 ? O2 PO4 A 300 mGLU~A 154 37.46 52.86 33.16 36.88 52.31 32.56 39.36 54.43 32.86 40.25 54.91 33.54 38.93 52.97 33.07 39.50 52.08 31.98 2 0 9.10-999 ?-999 ?-999 ? O2 PO4 A 300 mLYS~A 155 38.65 55.14 31.99 37.91 54.63 31.54 38.70 57.41 32.95 39.46 58.37 33.17 38.94 56.52 31.71 38.12 57.00 30.51 2 0 12.08-999 ?-999 ?-999 ? O2 PO4 A 300 mALA~A 156 37.71 57.06 33.77 37.15 56.30 33.44 38.57 57.47 36.09 38.52 58.06 37.17 37.49 57.76 35.03 36.11 57.48 35.57 2 0 11.76-999 ?-999 ?-999 ? O2 PO4 A 300 mGLY.A 157 39.53 56.58 35.82 39.46 56.17 34.91 40.19 55.25 37.90 40.80 55.23 38.94 40.57 56.25 36.80-999.99-999.99-999.99 1 0 8.56-999 ?-999 ?-999 ? O2 PO4 A 300 mMETA 158 39.20 54.40 37.68 38.75 54.48 36.79 39.94 52.38 38.87 40.70 52.10 37.96 38.84 53.42 38.69 37.51 52.76 38.35 2 0 6.56-999 ?-999 ?-999 ? O2 PO4 A 300 mTHR~A 159 40.01 51.80 40.06 39.50 52.26 40.79 40.14 49.42 39.48 38.97 49.50 39.08 40.80 50.58 40.24 40.88 50.18 41.70 2 0 -3.10-999 ?-999 ?-999 ? O2 PO4 A 300s mPHE~A 160 40.88 48.35 39.29 41.83 48.48 39.58 39.01 46.66 39.37 37.99 46.47 38.69 40.32 47.10 38.69 41.37 46.00 38.74 3 0 -3.54-999 ?-999 ?-999 ? O2 PO4 A 300s mGLU~A 161 39.02 46.52 40.69 39.88 46.73 41.14 36.67 47.08 41.29 35.53 46.66 41.26 37.80 46.08 41.38 38.06 45.70 42.82 2 0 6.17-999 ?-999 ?-999 ? O3 PO4 A 300 mGLU~A 162 36.97 48.38 41.25 37.94 48.58 41.39 35.29 49.29 39.63 34.06 49.41 39.49 35.94 49.39 41.02 36.44 50.82 41.26 2 0 7.44-999 ?-999 ?-999 ? O2 PO4 A 300 mVAL~A 163 36.10 49.04 38.62 37.07 49.01 38.86 34.65 47.59 37.32 33.53 47.63 36.79 35.57 48.82 37.29 36.68 48.62 36.24 3 0 8.10-999 ?-999 ?-999 ? O2 PO4 A 300 mVAL~A 164 35.10 46.50 37.93 36.02 46.61 38.30 32.91 45.57 38.70 31.82 45.22 38.16 34.26 45.27 38.03 35.01 44.12 38.76 3 0 9.80-999 ?-999 ?-999 ? O2 PO4 A 300 mGLU~A 165 32.95 46.24 39.86 33.86 46.46 40.21 30.82 47.49 39.67 29.60 47.24 39.58 31.71 46.60 40.53 31.98 47.23 41.90 2 0 11.76-999 ?-999 ?-999 ? O2 PO4 A 300 mSER~A 166 31.38 48.55 39.06 32.37 48.62 39.19 29.93 48.84 37.07 28.77 49.13 36.72 30.56 49.50 38.28 31.34 50.74 37.82 2 0 12.81-999 ?-999 ?-999 ? O2 PO4 A 300 mVAL~A 167 30.69 47.95 36.44 31.59 47.78 36.84 29.16 46.23 35.58 28.18 46.10 34.87 30.20 47.29 35.25 31.35 46.70 34.43 3 0 13.92-999 ?-999 ?-999 ? O2 PO4 A 300 mGLU~A 168 29.37 45.45 36.65 30.26 45.57 37.10 27.06 45.25 37.43 25.98 44.72 37.13 28.36 44.51 37.09 28.83 43.59 38.23 2 0 15.53-999 ?-999 ?-999 ? C1 PG6 A 299 mCSS~A 169 27.14 46.45 38.01 28.08 46.73 38.25 25.28 47.65 36.94 24.08 47.48 36.76 25.95 47.26 38.28 26.30 48.54 39.07 2 0 16.56-999 ?-999 ?-999 ? C1 PG6 A 299 mTYR~A 170 26.07 48.15 36.02 27.02 48.30 36.31 24.82 47.25 34.07 23.71 47.42 33.51 25.55 48.46 34.70 26.65 48.99 33.76 3 0 14.94-999 ?-999 ?-999 ? C1 PG6 A 299 mILE~A 171 25.39 46.06 34.18 26.27 46.06 34.65 23.39 44.65 34.24 22.41 44.33 33.54 24.77 44.86 33.63 25.70 43.66 33.81 3 0 11.52-999 ?-999 ?-999 ? C1 PG6 A 299 mGLU~A 172 23.31 44.86 35.54 24.18 45.10 35.96 20.99 45.78 35.82 19.81 45.46 35.73 22.04 44.74 36.28 22.33 44.87 37.80 2 0 12.30-999 ?-999 ?-999 ? C1 PG6 A 299 mGLU~A 173 21.43 46.99 35.49 22.41 47.13 35.62 20.09 47.78 33.52 19.00 48.21 33.12 20.52 48.02 34.96 21.17 49.41 35.01 2 0 13.37-999 ?-999 ?-999 ? C1 PG6 A 299 mGLN~A 174 20.95 47.10 32.75 21.73 46.71 33.25 19.69 45.94 30.93 19.74 44.80 31.39 20.78 46.94 31.30 22.11 46.50 30.68 2 0 10.38-999 ?-999 ?-999 ? O1 PG6 A 299 mHIS^A 175 18.76 46.34 30.03 18.85 47.30 29.77 17.83 45.39 27.96 18.16 46.38 27.32 17.72 45.46 29.49 16.31 46.00 29.79 3 0 8.10-999 ?-999 ?-999 ? O1 PG6 A 299 mTHR^A 176 17.48 44.24 27.39 17.14 43.57 28.05 16.18 43.61 25.43 15.37 42.93 26.09 17.57 43.96 25.97 18.49 42.73 25.72 2 0 5.64-999 ?-999 ?-999 ? O1 PG6 A 299 mTYR^A 177 15.93 44.05 24.21 16.71 44.54 23.81 14.92 43.55 22.07 15.89 44.08 21.52 14.65 43.84 23.52 13.82 45.12 23.61 3 0 6.58-999 ?-999 ?-999 ? C3 PG6 A 299 mPHE^A 178 14.08 42.75 21.44 13.38 42.33 22.01 12.93 42.12 19.36 12.02 41.58 20.00 14.22 42.52 20.02 15.32 41.52 19.70 3 0 -6.01-999 ?-999 ?-999 ? C4 PG6 A 299s mVAL^A 179 12.88 42.40 18.07 13.64 42.97 17.77 12.52 41.42 15.89 13.36 42.11 15.27 11.83 41.94 17.17 10.83 43.07 16.78 3 0 8.45-999 ?-999 ?-999 ? C4 PG6 A 299 mLEU.A 180 12.18 40.20 15.52 11.51 39.76 16.13 11.63 39.28 13.34 10.47 39.20 13.70 12.72 39.56 14.35 13.34 38.21 14.72 3 0 8.32-999 ?-999 ?-999 ? C5 PG6 A 299 mGLU.A 181 12.02 39.10 12.07 12.95 39.42 11.89 11.12 37.01 11.23 10.11 36.36 10.93 11.12 38.50 11.07 11.59 38.86 9.64 2 0 11.54-999 ?-999 ?-999 ? C5 PG6 A 299 mASN.A 182 12.25 36.43 11.67 12.95 37.07 11.99 13.05 34.42 12.96 14.26 34.49 13.13 12.40 34.98 11.66 13.24 34.62 10.45 2 0 10.70-999 ?-999 ?-999 ? C5 PG6 A 299 mLEU~A 183 12.21 33.86 13.84 11.27 33.83 13.52 13.11 31.89 15.09 13.51 31.32 16.11 12.64 33.32 15.15 11.49 33.40 16.16 3 0 9.25-999 ?-999 ?-999 ? C5 PG6 A 299 mASP~A 184 13.05 31.29 13.90 12.84 31.88 13.12 14.68 29.40 14.23 14.82 28.29 14.76 13.27 29.85 13.81 13.01 29.34 12.39 2 0 11.63-999 ?-999 ?-999 ? C5 PG6 A 299 mTHR~A 185 15.71 30.19 13.96 15.47 31.05 13.50 17.22 29.73 15.85 17.73 28.74 16.41 17.08 29.77 14.32 18.14 30.67 13.67 2 0 9.10-999 ?-999 ?-999 ? C9 PG6 A 299 mLEU~A 186 16.69 30.74 16.54 16.35 31.48 15.97 15.81 29.54 18.53 16.21 28.84 19.49 16.64 30.72 18.01 16.10 32.05 18.57 3 0 7.01-999 ?-999 ?-999 ? C9 PG6 A 299 mARG~A 187 14.67 29.29 17.90 14.49 29.86 17.10 14.43 26.87 18.19 14.56 26.10 19.14 13.78 28.23 18.38 12.44 28.31 17.65 2 0 10.27-999 ?-999 ?-999 ? C9 PG6 A 299 mLYS~A 188 14.91 26.62 16.99 14.86 27.40 16.36 16.76 25.02 17.34 17.06 23.85 17.64 15.44 25.33 16.62 15.58 25.21 15.08 2 0 11.09-999 ?-999 ?-999 ? C9 PG6 A 299 mASN~A 189 17.55 26.04 17.66 17.22 26.93 17.34 18.59 25.84 19.96 19.57 25.84 20.72 18.79 25.80 18.44 19.92 26.75 17.98 2 0 8.14-999 ?-999 ?-999 ? C9 PG6 A 299 mGLY.A 190 17.34 25.85 20.42 16.66 26.04 19.72 17.22 26.84 22.73 17.38 26.72 23.95 17.04 25.61 21.85-999.99-999.99-999.99 1 0 9.00-999 ?-999 ?-999 ? C9 PG6 A 299 mARG.A 191 17.17 28.03 22.13 17.03 27.96 21.14 16.01 29.97 23.28 16.02 31.04 23.85 17.32 29.30 22.86 18.15 30.28 22.01 2 0 -6.63-999 ?-999 ?-999 ? C9 PG6 A 299s mLEU.A 192 14.88 29.34 23.00 15.00 28.44 22.58 12.76 29.02 24.19 11.53 29.03 24.18 13.57 29.95 23.28 12.81 30.21 21.97 3 0 9.76-999 ?-999 ?-999 ? C8 PG6 A 299 mTHR.A 193 13.44 28.22 24.99 14.43 28.40 25.06 11.79 27.76 26.76 12.03 28.81 27.33 12.73 27.17 25.69 13.65 26.10 26.26 2 0 12.28-999 ?-999 ?-999 ? C1 PG6 A 299 mGLY.A 194 10.69 27.07 26.98 10.63 26.19 26.52 8.64 28.38 27.05 7.45 28.04 27.10 9.66 27.59 27.84-999.99-999.99-999.99 1 0 13.82-999 ?-999 ?-999 ? C1 PG6 A 299 mILE.A 195 9.10 29.38 26.28 10.10 29.43 26.25 7.33 29.56 24.61 7.82 28.91 23.68 8.22 30.32 25.57 8.98 31.35 24.70 3 0 13.17-999 ?-999 ?-999 ? C1 PG6 A 299 mLYS.A 196 6.02 29.65 24.79 5.73 30.25 25.54 4.91 29.61 22.58 5.28 30.77 22.39 5.11 28.92 23.92 3.80 28.64 24.66 2 0 14.75-999 ?-999 ?-999 ? NA NA A 301 mSER.A 197 4.35 28.86 21.64 3.93 28.02 21.99 3.13 30.01 19.78 3.19 30.76 18.81 4.37 29.25 20.23 4.55 28.01 19.36 2 0 12.82-999 ?-999 ?-999 ? NA NA A 301 mALA.A 200 -0.05 29.27 16.59 -0.15 28.82 17.48 -1.17 30.69 14.90 -1.98 30.23 14.09 0.11 29.92 15.30 0.50 28.91 14.23 2 0 9.92-999 ?-999 ?-999 ? NA NA A 301 mGLY.A 201 -1.36 31.86 15.50 -0.70 32.05 16.24 -2.13 33.51 13.80 -1.59 32.90 12.87 -2.43 32.79 15.11-999.99-999.99-999.99 1 0 6.60-999 ?-999 ?-999 ? NA NA A 301 mALA.A 202 -2.46 34.81 13.74 -2.85 35.16 14.59 -0.87 35.47 11.96 0.12 35.57 12.68 -2.28 35.63 12.54 -2.54 37.10 12.87 2 0 6.00-999 ?-999 ?-999 ? NA NA A 301 mLEU.A 203 -0.79 35.27 10.64 -1.66 35.30 10.16 1.50 36.22 10.05 2.71 36.01 9.86 0.51 35.03 10.00 0.34 34.53 8.55 3 0 9.32-999 ?-999 ?-999 ? NA NA A 301 mASN.A 204 0.99 37.44 10.29 0.00 37.47 10.38 2.13 39.00 11.89 2.69 40.07 12.12 1.85 38.61 10.43 1.31 39.82 9.64 2 0 -8.89-999 ?-999 ?-999 ? NA NA A 301s mILE^A 205 1.76 38.15 12.85 1.28 37.33 12.53 3.56 38.52 14.49 4.29 37.69 14.00 2.05 38.44 14.26 1.46 37.40 15.21 3 0 6.52-999 ?-999 ?-999 ? NA NA A 301 mLYS^A 206 4.02 39.57 15.15 3.31 40.23 15.40 5.58 39.79 16.99 5.14 40.77 17.55 5.45 39.70 15.46 6.03 40.96 14.83 2 0 9.11-999 ?-999 ?-999 ? NA NA A 302 mPRO^A 207 6.18 38.76 17.65 6.36 37.94 17.11 7.55 40.00 19.33 8.51 40.15 18.58 6.52 38.89 19.05 7.12 37.53 19.41 3 0 10.29-999 ?-999 ?-999 ? NA NA A 301 mILE^A 208 7.34 40.74 20.39 6.43 40.66 20.80 9.05 40.78 22.01 8.41 40.37 22.99 8.36 41.61 20.91 7.83 42.90 21.53 3 0 11.03-999 ?-999 ?-999 ? C4 PG6 A 299 mMETA 209 10.33 40.50 21.82 10.74 40.93 21.02 11.98 40.47 23.58 12.25 41.61 23.25 11.03 39.61 22.75 11.84 38.56 22.02 2 0 7.90-999 ?-999 ?-999 ? C3 PG6 A 299 mGLY^A 210 12.49 39.87 24.65 12.19 38.93 24.80 14.21 39.61 26.44 13.92 38.42 26.54 13.42 40.55 25.52-999.99-999.99-999.99 1 0 5.91-999 ?-999 ?-999 ? O1 PG6 A 299 mSER^A 211 15.20 40.18 27.10 15.40 41.11 26.80 15.09 39.43 29.44 14.25 40.28 29.68 15.92 39.51 28.17 17.18 40.28 28.56 2 0 4.02-999 ?-999 ?-999 ? C1 PG6 A 299 mTHR.A 212 15.42 38.44 30.27 15.96 37.71 29.85 16.26 38.81 32.41 17.36 38.76 31.85 15.05 38.40 31.65 14.65 36.94 32.11 2 0 6.47-999 ?-999 ?-999 ? C1 PG6 A 299 mPRO.A 213 16.10 39.18 33.69 15.16 39.19 34.03 18.30 38.36 34.61 19.48 38.61 34.77 17.29 39.52 34.48 16.73 40.01 35.85 3 0 8.23-999 ?-999 ?-999 ? C1 PG6 A 299 mGLN.A 214 17.89 37.12 34.45 16.90 37.03 34.32 19.57 35.80 33.11 20.47 35.01 33.05 18.84 36.00 34.45 18.17 34.67 34.78 2 0 7.93-999 ?-999 ?-999 ? C1 PG6 A 299 mGLY.A 215 19.19 36.51 32.06 18.46 37.16 32.26 19.16 35.29 29.83 19.80 34.77 28.91 19.83 36.33 30.72-999.99-999.99-999.99 1 0 -4.28-999 ?-999 ?-999 ? C1 PG6 A 299s mTHR.A 216 17.90 34.94 30.12 17.55 35.30 30.99 16.26 35.04 28.35 16.19 36.25 28.58 17.13 34.11 29.23 16.23 33.06 29.96 2 0 4.75-999 ?-999 ?-999 ? C1 PG6 A 299 mILE^A 217 15.58 34.46 27.36 15.73 33.47 27.27 13.25 35.01 26.92 12.85 33.89 27.23 14.70 35.21 26.49 14.89 34.76 25.02 3 0 5.04-999 ?-999 ?-999 ? C1 PG6 A 299 mCYH^A 218 12.47 36.07 26.92 12.96 36.92 26.75 10.25 36.78 26.09 10.82 37.60 25.37 11.01 35.95 27.14 10.62 36.42 28.54 2 0 8.30-999 ?-999 ?-999 ? C1 PG6 A 299 mGLN^A 219 8.96 36.54 26.00 8.65 35.74 26.53 7.48 38.49 26.07 6.92 38.26 27.13 8.08 37.37 25.20 7.00 36.51 24.58 2 0 10.96-999 ?-999 ?-999 ? O1 PG6 A 299 mLYS^A 220 7.65 39.72 25.63 8.17 39.77 24.77 5.82 41.37 25.77 5.07 41.99 26.49 7.15 40.90 26.31 8.13 42.05 26.10 2 0 12.08-999 ?-999 ?-999 ? O1 PG6 A 299 mGLU^A 221 5.57 41.14 24.48 6.27 40.58 24.03 4.28 41.01 22.42 5.12 40.19 22.05 4.36 41.65 23.78 4.43 43.18 23.62 2 0 9.37-999 ?-999 ?-999 ? NA NA A 302 mLYS^A 222 3.29 41.44 21.65 2.65 42.07 22.09 2.22 42.00 19.58 1.47 42.73 20.21 3.14 41.03 20.28 2.53 39.63 20.18 2 0 6.82-999 ?-999 ?-999 ? NA NA A 302 mALA^A 223 2.31 41.99 18.26 2.96 41.33 17.91 1.42 42.28 16.03 2.33 41.55 15.59 1.52 42.88 17.43 2.17 44.25 17.35 2 0 3.87-999 ?-999 ?-999 ? NA NA A 302 mARG^A 224 0.38 42.67 15.30 -0.29 43.22 15.79 1.04 43.23 13.01 0.76 44.40 12.92 0.26 42.30 13.90 -1.20 42.28 13.47 2 0 -4.83-999 ?-999 ?-999 ? NA NA A 302s mGLY~A 225 2.03 42.70 12.34 2.13 41.71 12.48 3.99 44.23 12.18 3.90 44.61 13.36 2.87 43.48 11.47-999.99-999.99-999.99 1 0 7.78-999 ?-999 ?-999 ? NA NA A 302 mMETA 226 5.04 44.48 11.42 4.89 44.27 10.46 6.11 46.44 12.44 6.76 46.86 13.39 6.28 45.01 11.95 7.31 44.92 10.83 2 0 9.88-999 ?-999 ?-999 ? NA NA A 302 mLYS~A 227 5.26 47.22 11.76 4.75 46.77 11.03 4.55 48.79 13.49 5.07 49.59 14.31 5.12 48.63 12.10 4.21 49.32 11.09 2 0 9.69-999 ?-999 ?-999 ? NA NA A 302 mLYS~A 228 3.48 48.05 13.78 3.13 47.49 13.03 3.87 47.44 16.17 3.96 47.91 17.31 2.91 48.09 15.13 1.55 47.44 15.17 2 0 6.35-999 ?-999 ?-999 ? NA NA A 302 mALA~A 229 4.59 46.39 15.78 4.44 46.12 14.84 6.65 46.69 17.13 7.08 46.71 18.28 5.52 45.73 16.72 6.08 44.43 16.12 2 0 7.53-999 ?-999 ?-999 ? NA NA A 302 mLEU~A 230 7.13 47.51 16.21 6.70 47.45 15.31 7.76 49.48 17.57 8.49 49.83 18.52 8.22 48.42 16.57 8.89 49.01 15.34 3 0 10.82-999 ?-999 ?-999 ? NA NA A 302 mVAL~A 231 6.52 49.94 17.42 6.06 49.61 16.60 5.79 50.19 19.74 6.14 50.77 20.75 5.93 50.86 18.39 4.52 51.37 17.90 3 0 10.00-999 ?-999 ?-999 ? NA NA A 302 mLYS~A 232 5.26 48.97 19.78 4.99 48.59 18.90 6.50 48.00 21.68 6.65 48.08 22.90 5.12 48.27 21.05 4.37 46.95 20.89 2 0 8.64-999 ?-999 ?-999 ? NA NA A 302 mMETA 233 7.50 47.68 20.86 7.24 47.57 19.91 9.36 48.82 22.05 9.81 48.79 23.21 8.88 47.52 21.40 9.89 47.07 20.34 2 0 11.80-999 ?-999 ?-999 ? NA NA A 302 mALA~A 234 9.23 49.93 21.34 8.89 49.77 20.41 8.87 51.55 23.20 9.49 52.07 24.09 9.55 51.28 21.88 9.21 52.42 20.86 2 0 13.91-999 ?-999 ?-999 ? NA NA A 302 mASP~A 235 7.58 51.22 23.31 7.17 50.85 22.48 7.48 50.49 25.63 7.63 50.96 26.76 6.86 51.38 24.55 5.38 51.07 24.43 2 0 13.08-999 ?-999 ?-999 ? NA NA A 302 mCYH~A 236 7.81 49.23 25.32 7.64 48.97 24.37 9.70 48.90 26.87 9.94 48.93 28.10 8.39 48.34 26.34 8.65 46.97 25.80 2 0 14.05-999 ?-999 ?-999 ? NA NA A 302 mVAL~A 237 10.54 49.37 25.97 10.22 49.30 25.02 11.60 51.10 27.27 12.21 51.22 28.35 11.84 49.91 26.36 12.66 50.38 25.16 3 0 13.47-999 ?-999 ?-999 ? O1 PG6 A 299 mALA~A 238 10.66 51.95 26.86 10.20 51.68 26.02 9.77 52.88 29.00 10.07 53.60 29.96 10.36 53.16 27.61 9.43 54.09 26.80 2 0 17.12-999 ?-999 ?-999 ? O1 PG6 A 299 mALA~A 239 8.96 51.82 29.11 8.81 51.34 28.25 9.40 50.98 31.46 9.15 51.09 32.65 8.37 51.43 30.41 7.32 50.34 30.21 2 0 17.41-999 ?-999 ?-999 ? O1 PG6 A 299 mASP~A 240 10.52 50.42 31.00 10.61 50.42 30.01 12.65 50.84 32.15 13.34 50.72 33.15 11.52 49.85 31.89 12.15 48.58 31.30 2 0 14.99-999 ?-999 ?-999 ? O1 PG6 A 299 mVAL~A 241 12.90 51.80 31.28 12.17 51.96 30.61 14.12 53.46 32.57 13.07 54.01 32.88 14.17 52.52 31.36 14.59 53.22 30.05 3 0 15.92-999 ?-999 ?-999 ? O1 PG6 A 299 mVAL.A 242 15.24 53.56 33.31 15.96 52.89 33.09 16.65 55.30 34.19 17.65 54.73 33.69 15.35 54.57 34.35 15.25 53.97 35.78 3 0 18.69-999 ?-999 ?-999 ? O1 PG6 A 299 mASN~A 243 16.65 56.56 34.59 15.78 56.88 34.97 18.45 57.35 33.06 19.67 57.25 32.90 17.84 57.39 34.48 18.89 56.94 35.53 2 0 20.93-999 ?-999 ?-999 ? O1 PG6 A 299 mALA~A 244 17.60 57.49 32.04 16.67 57.71 32.33 19.04 58.37 30.20 19.84 58.13 29.30 18.01 57.33 30.62 16.79 57.39 29.70 2 0 19.52-999 ?-999 ?-999 ? O1 PG6 A 299 mGLY~A 245 19.03 59.52 30.85 18.30 59.61 31.53 21.42 60.13 30.90 22.36 60.68 30.36 19.99 60.56 30.59-999.99-999.99-999.99 1 0 22.65-999 ?-999 ?-999 ? O1 PG6 A 299 mASP~A 246 21.58 59.13 31.75 20.73 58.78 32.15 23.35 57.52 31.08 24.47 56.97 31.23 22.91 58.60 32.07 22.93 57.99 33.48 2 0 21.50-999 ?-999 ?-999 ? O1 PG6 A 299 mLYS.A 247 22.51 57.19 30.09 21.77 57.82 29.91 22.89 56.15 27.87 22.37 57.10 27.29 22.74 55.96 29.37 21.60 54.95 29.68 2 0 18.26-999 ?-999 ?-999 ? O1 PG6 A 299 mILE^A 248 23.63 55.23 27.26 24.06 54.57 27.88 22.81 54.10 25.34 22.70 53.02 25.94 23.79 55.18 25.83 25.24 54.85 25.46 3 0 17.30-999 ?-999 ?-999 ? C3 PG6 A 299 mLEU^A 249 22.07 54.41 24.28 22.18 55.34 23.93 21.80 52.89 22.44 22.36 53.61 21.63 21.17 53.45 23.71 19.80 54.09 23.43 3 0 14.80-999 ?-999 ?-999 ? C3 PG6 A 299 mALA^A 250 21.71 51.58 22.27 21.21 51.11 22.99 21.25 50.16 20.37 20.34 49.54 20.96 22.29 50.92 21.13 23.47 49.98 21.54 2 0 12.40-999 ?-999 ?-999 ? C4 PG6 A 299 mILE^A 251 21.38 50.21 19.05 22.13 50.79 18.74 21.34 48.67 17.14 22.18 49.22 16.45 20.51 49.47 18.14 19.56 50.42 17.38 3 0 10.84-999 ?-999 ?-999 ? C4 PG6 A 299 mALA^A 252 21.11 47.38 17.05 20.51 47.00 17.76 20.61 46.13 15.07 19.50 45.81 15.52 21.71 46.59 16.01 22.46 45.38 16.58 2 0 8.75-999 ?-999 ?-999 ? O3 PG6 A 299 mHIS^A 253 20.93 46.11 13.78 21.86 46.40 13.58 20.65 44.74 11.81 21.88 44.82 11.60 19.97 45.69 12.76 19.42 46.91 12.00 3 0 9.53-999 ?-999 ?-999 ? O3 PG6 A 299 mCYH.A 254 19.87 43.80 11.29 18.93 43.79 11.64 19.76 43.22 8.93 18.65 42.81 8.63 20.36 42.87 10.29 19.97 41.45 10.66 2 0 9.58-999 ?-999 ?-999 ? O3 PG6 A 299 mASN.A 255 20.52 43.97 8.13 21.37 44.26 8.57 18.82 45.13 6.69 17.96 44.89 5.84 20.14 44.33 6.74 20.01 43.06 5.91 2 0 13.41-999 ?-999 ?-999 ? O3 PG6 A 299 mCYH~A 256 18.65 46.06 7.63 19.40 46.11 8.28 17.74 48.25 8.37 17.21 48.59 9.44 17.44 46.92 7.67 16.24 46.16 8.27 2 0 14.42-999 ?-999 ?-999 ? O3 PG6 A 299 mGLU~A 257 18.64 49.00 7.76 18.98 48.64 6.89 17.95 51.25 8.56 17.95 51.98 9.56 19.07 50.25 8.34 20.18 50.90 7.50 2 0 15.92-999 ?-999 ?-999 ? O3 PG6 A 299 mGLU~A 258 17.01 51.33 7.62 17.11 50.69 6.85 14.98 51.94 8.89 14.47 52.79 9.59 15.93 52.31 7.76 15.15 52.52 6.46 2 0 18.41-999 ?-999 ?-999 ? C5 PG6 A 299 mARG~A 259 14.73 50.65 9.05 15.08 50.06 8.32 14.75 50.55 11.54 14.13 50.98 12.49 14.01 50.18 10.23 13.80 48.69 10.11 2 0 15.84-999 ?-999 ?-999 ? C5 PG6 A 299 mALA~A 260 16.08 50.41 11.57 16.48 49.98 10.77 16.63 52.36 13.00 16.42 52.79 14.15 16.85 50.87 12.72 18.35 50.57 12.53 2 0 14.32-999 ?-999 ?-999 ? C4 PG6 A 299 mLYS~A 261 16.67 53.17 11.96 16.86 52.71 11.09 15.08 54.96 12.66 14.93 55.88 13.45 16.47 54.60 12.13 16.74 55.33 10.80 2 0 17.86-999 ?-999 ?-999 ? C4 PG6 A 299 mGLU~A 262 14.07 54.22 12.22 14.34 53.51 11.56 12.56 54.08 14.16 11.94 54.80 14.93 12.70 54.44 12.68 11.72 53.63 11.82 2 0 18.20-999 ?-999 ?-999 ? NA NA A 302 mVAL~A 263 13.19 52.98 14.58 13.63 52.45 13.85 13.87 53.69 16.81 13.36 54.07 17.85 13.21 52.62 15.99 13.87 51.22 16.21 3 0 15.48-999 ?-999 ?-999 ? C4 PG6 A 299 mGLN~A 264 14.98 54.24 16.30 15.27 53.89 15.41 14.76 56.47 17.22 14.70 57.07 18.33 15.70 55.25 17.01 16.98 55.58 16.25 2 0 16.96-999 ?-999 ?-999 ? C4 PG6 A 299 mARG~A 265 14.01 56.79 16.16 14.12 56.19 15.37 11.98 57.73 17.18 11.69 58.62 17.99 13.10 57.94 16.17 12.54 58.17 14.75 2 0 20.06-999 ?-999 ?-999 ? NA NA A 302 mLEU~A 266 11.36 56.55 17.17 11.66 55.92 16.46 10.81 56.31 19.57 10.11 56.74 20.45 10.31 56.23 18.14 9.74 54.81 17.91 3 0 16.81-999 ?-999 ?-999 ? NA NA A 302 mLEU~A 267 12.02 55.82 19.82 12.50 55.47 19.02 12.81 57.24 21.65 12.55 57.56 22.79 12.56 55.83 21.18 13.85 55.00 21.25 3 0 18.08-999 ?-999 ?-999 ? C4 PG6 A 299 mLYS~A 268 13.32 58.06 20.75 13.50 57.63 19.86 12.34 60.27 21.39 12.41 61.23 22.13 13.60 59.46 21.06 14.30 60.10 19.89 2 0 21.22-999 ?-999 ?-999 ? C4 PG6 A 299 mGLU~A 269 11.21 59.87 20.85 11.29 59.13 20.18 9.55 60.14 22.66 8.73 60.88 23.26 9.96 60.47 21.21 8.83 59.99 20.28 2 0 20.08-999 ?-999 ?-999 ? NA NA A 302 mARG~A 270 10.03 59.02 23.18 10.71 58.57 22.60 10.55 58.82 25.64 10.10 58.88 26.73 9.62 58.50 24.46 9.36 56.99 24.37 2 0 19.28-999 ?-999 ?-999 ? NA NA A 302 mPHE~A 271 11.84 59.03 25.40 12.08 58.91 24.44 14.09 59.92 25.89 14.46 59.62 24.75 12.79 59.39 26.47 13.09 58.21 27.41 3 0 21.72-999 ?-999 ?-999 ? C3 PG6 A 299 mALA.A 272 14.82 60.66 26.71 14.43 60.76 27.63 17.24 60.43 26.80 17.30 60.09 27.97 16.07 61.28 26.29 16.15 62.75 26.87 2 0 22.86-999 ?-999 ?-999 ? C3 PG6 A 299 mVAL.A 273 18.18 60.12 25.94 18.01 60.45 25.01 20.58 60.20 26.19 20.50 61.24 25.60 19.36 59.35 26.34 19.57 58.12 25.44 3 0 20.79-999 ?-999 ?-999 ? C3 PG6 A 299 mLYS.A 274 21.72 59.75 26.70 21.67 58.85 27.15 23.31 60.60 25.16 23.69 61.66 24.67 22.93 60.52 26.61 24.04 59.84 27.41 2 0 22.35-999 ?-999 ?-999 ? C3 PG6 A 299 mSER^A 275 23.22 59.45 24.48 22.94 58.67 25.04 23.02 57.96 22.62 22.66 57.10 23.45 23.50 59.33 23.08 25.01 59.47 22.79 2 0 21.00-999 ?-999 ?-999 ? C3 PG6 A 299 mSER^A 276 23.01 57.77 21.31 23.24 58.57 20.76 23.49 56.17 19.50 24.02 57.07 18.84 22.70 56.46 20.77 21.19 56.34 20.49 2 0 17.87-999 ?-999 ?-999 ? C4 PG6 A 299 mPHE^A 277 23.56 54.89 19.16 23.17 54.23 19.80 23.52 53.29 17.38 22.88 52.52 18.10 24.15 54.53 17.94 25.65 54.34 18.15 3 0 16.55-999 ?-999 ?-999 ? C4 PG6 A 299 mILE^A 278 23.75 53.10 16.07 24.32 53.82 15.66 24.39 51.22 14.68 25.35 51.84 14.17 23.24 51.98 15.30 22.31 52.49 14.15 3 0 14.28-999 ?-999 ?-999 ? O3 PG6 A 299 mVAL^A 279 24.33 49.90 14.72 23.53 49.56 15.20 24.73 47.90 13.33 23.60 47.47 13.63 25.35 49.03 14.10 26.31 48.37 15.11 3 0 12.48-999 ?-999 ?-999 ? O3 PG6 A 299 mASP^A 280 25.50 47.39 12.37 26.33 47.92 12.19 25.45 45.01 12.54 26.44 45.00 13.26 25.17 46.18 11.65 25.99 46.03 10.37 2 0 11.38-999 ?-999 ?-999 ? O3 PG6 A 299 mTHR.A 281 24.58 44.02 12.47 23.83 44.17 11.83 26.06 42.04 12.93 26.44 41.91 11.76 24.76 42.82 13.28 23.59 41.87 13.15 2 0 8.01-999 ?-999 ?-999 ? O3 PG6 A 299 mSER~A 282 26.70 41.50 13.96 26.30 41.77 14.83 27.43 39.28 13.16 26.25 39.05 12.95 27.87 40.61 13.81 28.42 40.28 15.19 2 0 8.52-999 ?-999 ?-999 ? C6 PG6 A 299 mGLY~A 283 28.38 38.41 12.85 29.31 38.74 13.02 27.11 36.30 13.20 26.08 35.78 12.73 28.07 37.08 12.31-999.99-999.99-999.99 1 0 8.98-999 ?-999 ?-999 ? C6 PG6 A 299 mILE~A 284 27.44 36.17 14.49 28.29 36.61 14.78 25.16 36.12 15.50 24.12 35.47 15.45 26.53 35.41 15.38 27.16 35.20 16.75 3 0 6.04-999 ?-999 ?-999 ? C6 PG6 A 299 mSER~A 285 25.17 37.43 15.62 26.09 37.84 15.64 23.08 38.01 14.44 21.86 37.83 14.52 23.94 38.20 15.70 24.25 39.68 15.96 2 0 3.90-999 ?-999 ?-999 ? C6 PG6 A 299 mTHR~A 286 23.73 38.04 13.27 24.70 38.27 13.34 22.42 36.38 11.98 21.25 36.24 11.62 23.04 37.77 12.01 24.00 37.95 10.86 2 0 7.00-999 ?-999 ?-999 ? C6 PG6 A 299 mVAL~A 287 23.18 35.37 12.40 24.10 35.62 12.72 21.38 33.86 13.20 20.42 33.21 12.76 22.67 34.01 12.38 23.73 33.02 12.88 3 0 7.28-999 ?-999 ?-999 ? C6 PG6 A 299 mTYR~A 288 21.33 34.45 14.39 22.15 34.97 14.62 19.09 35.39 15.05 17.91 35.13 15.26 20.17 34.32 15.27 20.62 34.22 16.74 3 0 4.96-999 ?-999 ?-999 ? C6 PG6 A 299 mALA~A 289 19.48 36.58 14.61 20.46 36.68 14.46 17.76 37.47 13.05 16.56 37.79 12.89 18.47 37.64 14.38 19.12 39.02 14.47 2 0 4.79-999 ?-999 ?-999 ? C5 PG6 A 299 mASN~A 290 18.53 37.05 12.07 19.47 36.89 12.36 17.77 38.13 9.99 17.70 39.23 10.60 18.08 36.83 10.70 16.90 35.83 10.63 2 0 8.56-999 ?-999 ?-999 ? C5 PG6 A 299 mASP.A 291 17.65 38.01 8.67 17.75 37.07 8.33 16.22 39.92 8.37 15.18 39.33 8.65 17.41 39.16 7.80 17.03 38.63 6.41 2 0 11.46-999 ?-999 ?-999 ? C5 PG6 A 299 mGLY.A 292 16.37 41.22 8.55 17.28 41.57 8.34 15.11 42.22 10.53 14.19 42.91 10.98 15.27 42.05 9.01-999.99-999.99-999.99 1 0 11.53-999 ?-999 ?-999 ? C5 PG6 A 299 mGLY.A 293 15.98 41.62 11.32 16.69 41.09 10.85 16.43 43.04 13.35 17.36 43.67 12.80 15.89 41.74 12.77-999.99-999.99-999.99 1 0 8.04-999 ?-999 ?-999 ? C5 PG6 A 299 mILE^A 294 15.87 43.41 14.50 15.18 42.77 14.83 16.39 44.24 16.69 15.55 43.56 17.28 16.20 44.63 15.22 15.10 45.66 15.12 3 0 8.15-999 ?-999 ?-999 ? C5 PG6 A 299 mILE^A 295 17.50 44.69 17.26 18.11 45.17 16.63 18.04 45.87 19.28 18.78 46.69 18.73 17.81 44.50 18.66 19.11 43.65 18.80 3 0 -5.92-999 ?-999 ?-999 ? C4 PG6 A 299s mVAL^A 296 17.44 46.11 20.44 16.84 45.37 20.75 18.09 47.09 22.61 17.51 46.23 23.30 17.65 47.34 21.17 16.35 48.17 21.24 3 0 8.53-999 ?-999 ?-999 ? C4 PG6 A 299 mVAL^A 297 19.09 47.84 23.05 19.48 48.44 22.36 19.79 49.17 24.99 20.35 50.03 24.32 19.58 47.78 24.42 20.93 47.01 24.51 3 0 9.09-999 ?-999 ?-999 ? C3 PG6 A 299 mVAL^A 298 19.38 49.37 26.25 18.80 48.64 26.61 19.83 50.21 28.58 19.13 49.20 29.00 19.74 50.55 27.03 18.76 51.70 26.75 3 0 12.15-999 ?-999 ?-999 ? O1 PG6 A 299 mLYS.B 18 15.10 73.54 58.50 15.56 74.00 59.26 13.98 71.41 57.75 14.45 70.84 58.75 14.41 72.84 57.36 15.32 72.84 56.11 2 0 9.59-999 ?-999 ?-999 ? O4 PO4 B 300 mASP.B 19 13.05 70.86 56.98 12.65 71.49 56.31 13.65 68.56 56.43 14.30 68.96 55.46 12.64 69.46 57.11 11.26 69.25 56.50 2 0 6.42-999 ?-999 ?-999 ? O4 PO4 B 300 mMETB 20 13.80 67.35 56.97 13.14 67.12 57.69 14.60 66.17 55.05 13.46 66.07 54.59 14.84 66.46 56.52 14.82 65.16 57.33 2 0 6.25-999 ?-999 ?-999 ? O1 PO4 B 300 mSER.B 21 15.66 65.98 54.30 16.55 66.03 54.75 14.94 64.28 52.66 14.22 63.99 51.68 15.42 65.72 52.89 16.64 66.09 52.07 2 0 8.55-999 ?-999 ?-999 ? O1 PO4 B 300 mTYR^B 22 15.34 63.37 53.55 15.91 63.72 54.29 14.95 61.28 54.78 15.53 61.74 55.74 14.96 61.97 53.42 15.88 61.22 52.43 3 0 7.63-999 ?-999 ?-999 ? O1 PO4 B 300 mLYS^B 23 14.24 60.17 54.82 13.72 60.02 53.98 14.34 57.83 55.42 13.74 57.49 54.38 14.23 59.27 55.96 12.94 59.45 56.79 2 0 -6.59-999 ?-999 ?-999 ? O1 PO4 B 300s mVAL^B 24 15.14 57.03 56.10 15.63 57.52 56.82 14.56 54.80 56.92 14.93 54.88 58.13 15.29 55.58 55.82 16.75 55.13 55.77 3 0 9.88-999 ?-999 ?-999 ? O1 PO4 B 300 mILE^B 25 13.52 54.08 56.52 13.34 54.15 55.54 13.26 51.85 57.32 13.38 51.35 56.21 12.73 53.28 57.44 11.22 53.24 57.06 3 0 10.51-999 ?-999 ?-999 ? O1 PO4 B 300 mVAL^B 26 13.59 51.22 58.45 13.41 51.74 59.28 13.32 49.03 59.38 12.99 49.48 60.49 14.17 49.87 58.46 15.63 49.88 58.94 3 0 13.20-999 ?-999 ?-999 ? C2 PG6 B 299 mASP^B 27 12.97 47.81 58.99 13.24 47.53 58.07 13.18 46.58 61.06 14.40 46.71 60.90 12.23 46.98 59.93 11.46 45.80 59.29 2 0 9.70-999 ?-999 ?-999 ? C2 PG6 B 299 mSER.B 28 12.63 46.11 62.17 11.67 45.82 62.08 14.50 44.98 63.34 15.39 45.00 64.15 13.41 46.04 63.40 12.50 45.83 64.63 2 0 9.50-999 ?-999 ?-999 ? C2 PG6 B 299 mCYH.B 29 14.43 44.05 62.39 13.61 44.10 61.82 16.84 43.73 61.96 17.87 43.25 62.40 15.49 43.05 62.25 15.17 42.04 61.17 2 0 6.86-999 ?-999 ?-999 ? C7 PG6 B 299 mGLY.B 30 16.80 44.84 61.21 15.88 45.12 60.93 18.57 46.40 61.97 18.01 47.41 62.32 17.99 45.55 60.84-999.99-999.99-999.99 1 0 8.92-999 ?-999 ?-999 ? C7 PG6 B 299 mGLU.B 31 19.73 46.01 62.50 20.13 45.22 62.03 20.82 48.06 63.29 21.19 48.29 62.17 20.33 46.67 63.65 21.53 45.86 64.16 2 0 10.60-999 ?-999 ?-999 ? C7 PG6 B 299 mPHE.B 32 20.83 48.97 64.25 20.37 48.67 65.09 22.72 50.36 64.88 22.76 49.94 66.00 21.43 50.28 64.08 20.50 51.36 64.58 3 0 14.37-999 ?-999 ?-999 ? C7 PG6 B 299 mTHR~B 33 23.75 50.96 64.29 23.64 51.11 63.31 24.62 52.56 65.88 23.57 53.21 65.71 24.94 51.35 65.00 26.08 51.72 64.02 2 0 16.60-999 ?-999 ?-999 ? O4 PG6 B 299 mPRO~B 34 25.53 52.90 66.81 26.32 52.28 66.87 25.17 55.34 66.82 24.29 56.15 67.09 25.34 54.09 67.64 26.65 54.15 68.44 3 0 18.65-999 ?-999 ?-999 ? O3 PO4 B 300 mGLU~B 35 25.98 55.49 65.78 26.64 54.75 65.66 24.48 56.70 64.21 23.87 57.79 64.09 25.87 56.64 64.91 27.02 56.63 63.88 2 0 17.37-999 ?-999 ?-999 ? O3 PO4 B 300 mMETB 36 23.96 55.55 63.77 24.54 54.75 63.90 21.48 55.86 64.15 20.58 56.65 63.85 22.60 55.53 63.15 22.35 54.20 62.43 2 0 14.62-999 ?-999 ?-999 ? O3 PO4 B 300 mLYS~B 37 21.58 55.29 65.35 22.35 54.65 65.43 20.55 57.06 66.79 19.49 57.54 67.15 20.65 55.57 66.43 21.05 54.83 67.70 2 0 13.74-999 ?-999 ?-999 ? O3 PO4 B 300 mALA~B 38 21.67 57.77 66.66 22.44 57.23 66.33 21.23 60.06 65.79 21.01 61.23 65.97 21.74 59.20 66.97 23.19 59.61 67.41 2 0 13.45-999 ?-999 ?-999 ? O3 PO4 B 300 mASP.B 39 21.01 59.45 64.61 21.17 58.46 64.64 19.09 59.90 63.18 18.61 58.75 63.03 20.59 60.15 63.40 21.40 59.60 62.25 2 0 11.11-999 ?-999 ?-999 ? O3 PO4 B 300 mGLY.B 40 18.33 60.97 63.16 18.83 61.83 63.27 16.52 60.55 61.55 15.37 60.39 61.24 16.89 60.87 62.98-999.99-999.99-999.99 1 0 7.33-999 ?-999 ?-999 ? O3 PO4 B 300 mGLY.B 41 17.51 60.47 60.67 18.39 60.81 61.03 17.05 58.46 59.22 16.66 57.97 58.16 17.33 59.95 59.32-999.99-999.99-999.99 1 0 7.93-999 ?-999 ?-999 ? O1 PO4 B 300 mPHE^B 42 17.29 57.73 60.30 17.67 58.25 61.07 15.94 56.08 61.40 16.00 56.60 62.52 17.04 56.31 60.37 18.30 55.56 60.79 3 0 9.59-999 ?-999 ?-999 ? O3 PO4 B 300 mGLU^B 43 14.94 55.28 61.04 15.03 54.91 60.12 13.40 53.53 61.78 13.30 53.05 60.68 13.83 54.99 61.94 12.72 55.94 61.58 2 0 8.59-999 ?-999 ?-999 ? O3 PO4 B 300 mHIS^B 44 13.10 52.85 62.89 13.23 53.36 63.73 11.11 51.38 62.81 10.40 52.25 63.33 12.63 51.48 62.86 13.06 50.75 64.13 3 0 11.55-999 ?-999 ?-999 ? O3 PO4 B 300 mVAL^B 45 10.63 50.31 62.16 11.31 49.88 61.56 9.34 48.43 62.87 10.02 47.54 62.33 9.27 49.81 62.28 8.53 49.82 60.92 3 0 12.22-999 ?-999 ?-999 ? C1 PG6 B 299 mALA.B 46 8.67 48.24 64.02 8.06 48.99 64.26 8.11 45.80 64.37 6.93 45.84 64.01 8.83 47.03 64.84 8.42 47.31 66.26 2 0 10.32-999 ?-999 ?-999 ? C2 PG6 B 299 mLEU.B 47 8.80 44.67 64.43 9.79 44.78 64.55 7.67 43.00 65.75 8.07 43.63 66.73 8.14 43.39 64.34 9.04 42.32 63.74 3 0 -6.93-999 ?-999 ?-999 ? O1 PG6 B 299s mGLY^B 48 6.84 41.96 65.83 6.54 41.64 64.93 7.11 40.01 67.39 7.49 39.29 66.46 6.40 41.36 67.11-999.99-999.99-999.99 1 0 7.68-999 ?-999 ?-999 ? O1 PG6 B 299 mILE^B 49 7.29 39.70 68.67 6.96 40.41 69.30 6.96 37.80 70.15 6.55 38.43 71.10 7.90 38.46 69.12 9.26 38.71 69.72 3 0 8.39-999 ?-999 ?-999 ? O1 PG6 B 299 mGLN^B 50 6.62 36.53 69.94 7.00 36.15 69.10 6.53 34.58 71.38 6.97 33.76 70.60 5.77 35.80 70.88 4.46 35.37 70.18 2 0 10.53-999 ?-999 ?-999 ? O1 PG6 B 299 mILE^B 51 6.72 34.47 72.68 6.41 35.26 73.22 6.39 32.80 74.36 6.16 33.51 75.36 7.32 33.26 73.24 8.72 33.51 73.77 3 0 9.52-999 ?-999 ?-999 ? NA NA B 301 mGLU.B 52 5.79 31.64 74.13 6.03 31.22 73.26 3.75 32.07 75.40 3.06 32.49 74.49 4.85 31.07 75.09 5.63 30.57 76.31 2 0 8.86-999 ?-999 ?-999 ? NA NA B 301 mASP.B 53 3.61 32.54 76.63 4.31 32.23 77.28 2.89 34.94 76.84 2.09 35.79 77.13 2.51 33.44 76.95 1.96 33.08 78.32 2 0 12.45-999 ?-999 ?-999 ? NA NA B 301 mTHR^B 54 4.10 35.24 76.38 4.59 34.45 76.02 4.76 37.21 75.01 5.28 36.58 74.13 4.64 36.61 76.42 6.00 36.55 77.08 2 0 14.13-999 ?-999 ?-999 ? NA NA B 301 mGLN^B 55 4.24 38.41 74.82 3.77 38.78 75.62 5.17 40.35 73.81 4.91 41.08 74.75 4.34 39.12 73.56 2.97 39.54 73.04 2 0 13.47-999 ?-999 ?-999 ? O1 PG6 B 299 mTRP^B 56 6.17 40.58 72.96 6.32 39.85 72.29 6.99 42.47 71.65 6.94 41.82 70.60 6.96 41.80 73.02 8.39 41.44 73.33 3 0 13.04-999 ?-999 ?-999 ? O1 PG6 B 299 mTHR^B 57 7.14 43.78 71.66 7.01 44.20 72.56 8.96 44.56 70.36 9.65 44.78 71.37 7.46 44.53 70.46 6.94 45.98 70.58 2 0 12.01-999 ?-999 ?-999 ? O1 PG6 B 299 mASP.B 58 9.49 44.33 69.17 8.82 44.12 68.46 11.38 45.83 68.81 11.52 46.36 67.69 10.95 44.37 68.96 11.36 43.53 67.73 2 0 10.66-999 ?-999 ?-999 ? C2 PG6 B 299 mASP.B 59 11.66 46.46 69.95 11.46 45.94 70.78 13.29 47.98 70.99 13.68 47.01 71.63 12.21 47.82 69.94 11.07 48.84 70.10 2 0 13.91-999 ?-999 ?-999 ? C2 PG6 B 299 mASP.B 60 13.76 49.21 71.18 13.26 49.93 70.69 14.59 49.22 73.54 15.51 49.06 74.35 14.92 49.45 72.05 15.55 50.85 71.80 2 0 16.94-999 ?-999 ?-999 ? C7 PG6 B 299 mSER.B 61 13.32 49.12 73.90 12.64 49.26 73.18 13.08 47.29 75.60 13.01 46.90 76.78 12.99 48.80 75.27 11.62 49.35 75.62 2 0 18.57-999 ?-999 ?-999 ? C2 PG6 B 299 mLEU.B 62 13.22 46.44 74.58 13.20 46.86 73.68 14.87 44.69 74.98 15.64 44.88 74.06 13.39 45.01 74.81 12.83 44.21 73.65 3 0 16.24-999 ?-999 ?-999 ? C2 PG6 B 299 mLYS~B 63 15.23 44.18 76.14 14.49 44.07 76.79 16.89 42.42 75.87 16.12 41.45 76.04 16.60 43.82 76.42 16.87 43.88 77.91 2 0 16.75-999 ?-999 ?-999 ? C7 PG6 B 299 mGLN~B 64 18.02 42.33 75.19 18.54 43.18 75.12 18.50 40.00 75.67 18.11 38.88 75.43 18.44 41.10 74.60 19.81 41.22 73.96 2 0 14.01-999 ?-999 ?-999 ? C7 PG6 B 299 mGLU~B 65 19.01 40.32 76.86 19.24 41.28 76.98 17.81 38.70 78.30 17.65 37.50 78.49 19.19 39.24 77.87 20.01 39.73 79.07 2 0 16.69-999 ?-999 ?-999 ? O4 PG6 B 299 mGLU~B 66 16.82 39.59 78.42 17.07 40.55 78.25 14.92 38.18 77.77 14.35 37.15 78.10 15.48 39.14 78.79 14.52 40.32 78.96 2 0 17.79-999 ?-999 ?-999 ? C7 PG6 B 299 mLEU~B 67 15.10 38.52 76.51 15.53 39.42 76.37 15.45 36.31 75.43 14.81 35.26 75.31 14.71 37.66 75.43 14.96 38.38 74.11 3 0 14.47-999 ?-999 ?-999 ? C7 PG6 B 299 mLEU~B 68 16.78 36.34 75.50 17.19 37.25 75.49 17.15 34.19 76.81 17.04 32.98 76.67 17.54 35.07 75.59 19.02 35.36 75.59 3 0 14.27-999 ?-999 ?-999 ? O4 PG6 B 299 mLEU~B 69 16.88 34.80 77.97 16.99 35.80 77.96 15.09 33.38 78.92 14.88 32.19 79.25 16.46 34.04 79.14 16.44 34.93 80.38 3 0 16.53-999 ?-999 ?-999 ? NA NA B 301 mLYS~B 70 14.17 34.10 78.28 14.47 35.02 78.04 12.91 32.40 76.98 12.26 31.40 77.16 12.84 33.55 77.99 11.91 34.68 77.46 2 0 13.70-999 ?-999 ?-999 ? NA NA B 301 mILE~B 71 13.72 32.55 75.92 14.15 33.45 75.86 14.53 30.24 75.65 14.07 29.12 75.41 13.96 31.48 74.96 14.95 31.95 73.85 3 0 11.26-999 ?-999 ?-999 ? NA NA B 301 mALA~B 72 15.54 30.45 76.50 15.80 31.42 76.58 15.21 28.65 78.13 15.27 27.43 78.21 16.19 29.38 77.25 17.33 29.90 78.07 2 0 12.97-999 ?-999 ?-999 ? NA NA B 301 mGLU~B 73 14.30 29.37 78.78 14.36 30.35 78.60 12.18 28.09 78.96 11.58 27.17 79.45 13.31 28.73 79.68 12.67 29.77 80.57 2 0 12.68-999 ?-999 ?-999 ? NA NA B 301 mSER~B 74 11.83 28.62 77.81 12.44 29.34 77.47 10.89 26.92 76.27 11.78 26.91 75.39 10.64 28.15 77.13 10.05 29.26 76.27 2 0 9.18-999 ?-999 ?-999 ? NA NA B 301 mTHR.B 75 10.09 25.90 76.47 9.44 25.98 77.22 9.47 25.06 74.26 9.80 24.47 73.25 10.20 24.75 75.60 9.70 23.42 76.25 2 0 6.86-999 ?-999 ?-999 ? NA NA B 301 mSER.B 76 8.52 26.01 74.24 8.31 26.41 75.13 8.82 27.26 72.15 9.43 28.18 72.68 7.87 26.39 72.95 6.62 27.24 73.14 2 0 4.00-999 ?-999 ?-999 ? NA NA B 301 mCYH.B 77 8.90 26.97 70.86 8.39 26.15 70.62 8.99 29.17 69.71 7.76 29.31 69.67 9.64 27.77 69.89 9.65 27.00 68.56 2 0 -4.23-999 ?-999 ?-999 ? NA NA B 301s mALA.B 78 9.83 30.19 69.64 10.79 29.93 69.73 8.68 31.66 68.13 8.99 30.95 67.19 9.40 31.56 69.44 10.57 32.49 69.41 2 0 7.47-999 ?-999 ?-999 ? NA NA B 301 mLYS^B 79 7.74 32.59 68.07 7.51 33.01 68.94 7.24 34.47 66.65 7.38 35.23 67.62 7.10 32.96 66.83 5.62 32.62 66.88 2 0 7.61-999 ?-999 ?-999 ? O1 PG6 B 299 mTHR^B 80 7.19 34.91 65.42 7.06 34.20 64.72 6.26 36.78 64.15 5.65 35.97 63.47 7.31 36.33 65.14 8.72 36.66 64.68 2 0 -4.59-999 ?-999 ?-999 ? O1 PG6 B 299s mSER^B 81 6.05 38.09 64.08 6.59 38.63 64.73 5.68 39.91 62.51 6.36 40.70 63.17 5.12 38.65 63.13 3.81 38.98 63.85 2 0 4.17-999 ?-999 ?-999 ? O1 PG6 B 299 mCYH.B 82 5.37 40.11 61.23 4.75 39.43 60.84 5.03 42.49 60.75 3.95 42.39 61.31 5.89 41.23 60.48 5.94 40.84 59.00 2 0 -4.00-999 ?-999 ?-999 ? C1 PG6 B 299s mPRO.B 83 5.50 43.68 60.37 6.41 43.70 59.95 3.49 44.90 59.59 3.59 44.33 58.55 4.64 44.84 60.61 5.57 46.04 60.41 3 0 7.72-999 ?-999 ?-999 ? C1 PG6 B 299 mSER~B 84 2.42 45.60 59.91 2.50 46.09 60.78 1.42 46.74 58.03 2.21 47.67 58.24 1.25 45.65 59.08 0.03 45.99 59.96 2 0 10.23-999 ?-999 ?-999 ? C1 PG6 B 299 mPRO~B 85 0.67 46.65 56.92 0.10 45.83 56.84 0.38 49.10 56.51 1.00 50.10 56.13 0.73 47.74 55.93 -0.28 47.34 54.86 3 0 12.68-999 ?-999 ?-999 ? C1 PG6 B 299 mGLU~B 86 -0.57 49.12 57.44 -0.92 48.21 57.68 0.04 51.03 58.83 0.23 52.21 58.73 -1.05 50.33 58.05 -2.22 49.98 58.97 2 0 15.37-999 ?-999 ?-999 ? C1 PG6 B 299 mARG~B 87 0.77 50.25 59.61 0.45 49.31 59.67 3.02 51.30 59.40 3.58 52.33 59.71 1.91 50.73 60.30 2.49 49.57 61.11 2 0 14.15-999 ?-999 ?-999 ? C1 PG6 B 299 mTYR~B 88 3.34 50.60 58.31 2.93 49.69 58.26 3.72 52.46 56.72 4.44 53.42 56.66 4.24 51.15 57.30 4.51 50.15 56.19 3 0 13.49-999 ?-999 ?-999 ? O3 PO4 B 300 mMETB 89 2.48 52.49 56.28 1.98 51.63 56.35 2.09 54.90 56.69 2.45 56.00 56.27 1.92 53.72 55.73 0.42 53.53 55.39 2 0 13.10-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 90 1.80 54.69 57.98 1.49 53.76 58.17 3.38 56.22 59.08 3.63 57.43 59.21 1.95 55.76 58.99 1.48 55.30 60.36 2 0 10.60-999 ?-999 ?-999 ? O2 PO4 B 300 mSER~B 91 4.32 55.28 59.00 3.98 54.34 58.89 6.15 56.53 57.89 7.05 57.32 58.04 5.72 55.63 59.08 6.64 54.40 59.15 2 0 8.52-999 ?-999 ?-999 ? O3 PO4 B 300 mTYR~B 92 5.48 56.40 56.74 4.74 55.72 56.76 5.26 58.59 55.62 5.74 59.49 54.90 5.82 57.18 55.56 5.29 56.51 54.28 3 0 8.32-999 ?-999 ?-999 ? O1 PO4 B 300 mHIS~B 93 4.20 58.78 56.42 3.91 57.95 56.90 4.27 60.90 57.62 4.02 60.75 58.81 3.54 60.07 56.57 2.07 59.88 56.95 3 0 7.41-999 ?-999 ?-999 ? O2 PO4 B 300 mCYH.B 94 5.19 61.73 57.17 5.26 61.75 56.17 6.58 63.66 57.17 6.34 63.72 55.97 6.03 62.53 58.03 7.19 61.71 58.61 2 0 -3.75-999 ?-999 ?-999 ? O2 PO4 B 300s mASP.B 95 7.36 64.53 57.80 7.56 64.30 58.75 9.00 65.47 56.13 9.21 66.28 55.21 7.84 65.70 57.13 8.14 66.77 58.19 2 0 -3.82-999 ?-999 ?-999 ? O2 PO4 B 300s mALA.B 96 9.71 64.37 56.26 9.44 63.80 57.04 10.24 63.95 53.92 9.20 63.33 53.72 10.80 64.05 55.33 11.51 62.69 55.72 2 0 -3.98-999 ?-999 ?-999 ? O1 PO4 B 300s mGLU.B 97 10.95 64.48 52.95 11.83 64.84 53.25 10.53 63.19 50.85 9.60 62.82 50.15 10.47 64.53 51.57 11.32 65.52 50.81 2 0 7.71-999 ?-999 ?-999 ? O1 PO4 B 300 mARG^B 98 11.65 62.50 50.96 12.35 62.94 51.53 11.93 60.09 51.34 12.67 60.20 52.33 11.86 61.21 50.31 13.19 61.21 49.58 2 0 9.27-999 ?-999 ?-999 ? O1 PO4 B 300 mILE^B 99 11.25 58.98 51.06 10.75 59.02 50.20 11.86 56.60 51.29 11.46 56.23 50.18 11.25 57.83 51.97 9.82 57.46 52.37 3 0 9.12-999 ?-999 ?-999 ? O1 PO4 B 300 mTYR^B 100 12.78 55.96 51.97 13.04 56.42 52.82 13.07 53.73 52.67 13.16 54.07 53.85 13.37 54.72 51.55 14.87 54.93 51.45 3 0 11.93-999 ?-999 ?-999 ? O1 PO4 B 300 mVAL^B 101 12.77 52.51 52.29 12.88 52.34 51.31 13.20 50.26 52.96 13.39 49.84 51.82 12.33 51.49 53.21 10.82 51.12 53.04 3 0 13.42-999 ?-999 ?-999 ? O1 PO4 B 300 mVAL^B 102 13.73 49.70 54.02 13.50 50.17 54.88 13.99 47.43 54.78 13.75 47.62 55.97 14.58 48.53 53.94 15.97 48.84 54.43 3 0 13.57-999 ?-999 ?-999 ? O2 PG6 B 299 mTHR^B 103 13.76 46.27 54.19 14.04 46.23 53.23 13.93 43.90 54.80 14.73 43.73 53.91 13.14 45.18 54.91 11.69 44.83 54.34 2 0 9.96-999 ?-999 ?-999 ? C1 PG6 B 299 mLEU.B 104 13.62 42.98 55.71 13.14 43.36 56.50 13.63 41.02 54.15 12.72 41.50 53.46 13.94 41.56 55.56 13.07 40.74 56.53 3 0 6.87-999 ?-999 ?-999 ? O2 PG6 B 299 mSER.B 105 14.40 40.02 53.77 15.17 39.83 54.39 12.70 38.91 52.40 12.11 38.35 53.31 14.17 39.26 52.56 14.94 37.96 52.60 2 0 5.97-999 ?-999 ?-999 ? C12 PG6 B 299 mALA.B 106 12.13 39.23 51.25 12.74 39.73 50.63 10.52 37.36 50.98 9.38 36.92 51.15 10.75 38.88 50.92 10.37 39.41 49.50 2 0 9.02-999 ?-999 ?-999 ? C12 PG6 B 299 mGLU.B 107 11.58 36.56 50.86 12.44 37.03 50.68 11.44 34.57 52.41 11.11 33.38 52.61 11.45 35.11 50.98 12.55 34.42 50.19 2 0 7.70-999 ?-999 ?-999 ? C12 PG6 B 299 mLEU.B 108 11.74 35.43 53.40 11.90 36.37 53.09 10.71 35.61 55.68 10.54 35.19 56.80 11.82 35.02 54.81 13.19 35.38 55.40 3 0 -5.03-999 ?-999 ?-999 ? C4 PG6 B 299s mSER.B 109 9.97 36.58 55.15 10.11 36.72 54.17 8.06 38.12 55.07 8.36 38.44 53.93 9.04 37.36 55.96 9.85 38.33 56.81 2 0 -3.73-999 ?-999 ?-999 ? C1 PG6 B 299s mGLY~B 110 6.89 38.39 55.62 6.74 37.93 56.49 6.23 40.79 55.08 5.48 41.63 54.57 5.91 39.30 54.99-999.99-999.99-999.99 1 0 5.13-999 ?-999 ?-999 ? C1 PG6 B 299 mSER~B 111 7.34 41.15 55.72 7.89 40.38 56.04 7.75 43.32 54.63 7.14 44.39 54.55 7.71 42.54 55.92 9.03 42.67 56.67 2 0 5.80-999 ?-999 ?-999 ? C1 PG6 B 299 mTYR~B 112 8.42 42.79 53.62 8.83 41.90 53.83 7.16 43.68 51.72 6.78 44.80 51.39 8.55 43.45 52.33 9.40 42.63 51.38 3 0 9.02-999 ?-999 ?-999 ? C1 PG6 B 299 mASN~B 113 6.39 42.62 51.60 6.78 41.76 51.93 4.20 43.78 51.78 3.44 44.49 51.18 5.05 42.79 51.00 4.29 41.46 50.86 2 0 10.19-999 ?-999 ?-999 ? C1 PG6 B 299 mSER~B 114 4.31 43.83 53.11 4.94 43.16 53.50 3.99 46.22 53.61 3.16 47.10 53.57 3.53 44.81 53.88 3.56 44.61 55.40 2 0 9.90-999 ?-999 ?-999 ? C1 PG6 B 299 mALA~B 115 5.30 46.42 53.48 5.85 45.59 53.60 5.36 48.26 51.83 5.00 49.43 51.69 5.86 47.76 53.19 7.40 47.76 53.25 2 0 11.82-999 ?-999 ?-999 ? C1 PG6 B 299 mVAL~B 116 5.33 47.34 50.86 5.66 46.44 51.14 3.35 48.00 49.53 2.97 49.01 48.94 4.85 47.65 49.51 5.16 46.54 48.50 3 0 14.24-999 ?-999 ?-999 ? C1 PG6 B 299 mLEU~B 117 2.54 47.21 50.24 3.00 46.41 50.63 0.92 48.84 51.13 0.09 49.65 50.75 1.11 47.51 50.42 0.40 46.42 51.18 3 0 14.85-999 ?-999 ?-999 ? C1 PG6 B 299 mGLY~B 118 1.75 49.08 52.15 2.33 48.31 52.41 1.99 51.57 51.87 1.36 52.63 52.03 1.77 50.39 52.80-999.99-999.99-999.99 1 0 15.41-999 ?-999 ?-999 ? C1 PG6 B 299 mLYS~B 119 2.90 51.41 50.92 3.39 50.54 50.96 1.90 52.65 49.03 1.49 53.80 48.82 3.15 52.44 49.91 4.39 52.12 49.06 2 0 15.90-999 ?-999 ?-999 ? O1 PO4 B 300 mASN~B 120 1.30 51.56 48.58 1.75 50.71 48.85 -1.04 52.36 48.47 -1.69 53.24 47.90 0.08 51.64 47.75 -0.39 50.27 47.33 2 0 19.18-999 ?-999 ?-999 ? O1 PO4 B 300 mLEU~B 121 -1.22 52.00 49.74 -0.62 51.26 50.05 -1.91 54.11 50.75 -2.80 54.95 50.67 -2.22 52.65 50.57 -2.35 51.96 51.93 3 0 18.45-999 ?-999 ?-999 ? O1 PO4 B 300 mTYR~B 122 -0.64 54.40 51.03 -0.04 53.61 51.12 -0.60 56.59 49.98 -1.17 57.69 50.13 -0.18 55.77 51.19 1.36 55.87 51.38 3 0 15.07-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 123 -0.27 56.09 48.79 0.11 55.17 48.82 -1.96 57.09 47.29 -2.39 58.18 46.83 -0.46 56.88 47.56 0.23 56.25 46.36 2 0 16.99-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 124 -2.76 56.09 47.66 -2.28 55.26 47.95 -4.80 57.28 48.60 -5.77 57.94 48.25 -4.21 56.24 47.63 -4.88 54.92 47.89 2 0 19.63-999 ?-999 ?-999 ? O2 PO4 B 300 mGLU~B 125 -4.24 57.40 49.79 -3.43 56.83 49.94 -4.23 59.72 50.77 -4.94 60.66 51.19 -4.76 58.29 50.80 -4.51 57.71 52.17 2 0 17.30-999 ?-999 ?-999 ? O2 PO4 B 300 mTYR~B 126 -2.98 59.87 50.31 -2.57 59.05 49.92 -1.78 61.57 49.03 -1.83 60.85 48.03 -2.30 61.13 50.38 -1.14 61.06 51.37 3 0 14.98-999 ?-999 ?-999 ? O2 PO4 B 300 mGLY.B 127 -1.32 62.80 48.99 -1.44 63.32 49.84 0.55 62.48 47.45 1.22 61.99 48.36 -0.67 63.31 47.78-999.99-999.99-999.99 1 0 15.63-999 ?-999 ?-999 ? O2 PO4 B 300 mGLU.B 128 0.84 62.34 46.17 0.25 62.87 45.56 3.20 61.81 46.48 3.48 62.94 46.78 1.92 61.49 45.69 2.12 61.69 44.19 2 0 15.90-999 ?-999 ?-999 ? O1 PO4 B 300 mLYS.B 129 3.97 60.80 46.85 3.60 59.91 46.60 6.28 60.00 47.05 5.93 58.84 46.72 5.24 61.01 47.56 5.04 60.83 49.09 2 0 12.81-999 ?-999 ?-999 ? O1 PO4 B 300 mGLN^B 130 7.54 60.44 46.95 7.67 61.41 47.16 8.92 58.53 47.72 9.50 58.90 48.74 8.62 59.54 46.58 9.89 60.33 46.28 2 0 13.23-999 ?-999 ?-999 ? O1 PO4 B 300 mILE^B 131 8.50 57.29 47.52 8.05 57.18 46.64 9.22 54.98 47.70 8.62 54.57 46.69 8.68 56.19 48.47 7.33 55.78 49.15 3 0 12.94-999 ?-999 ?-999 ? O1 PO4 B 300 mHIS^B 132 10.30 54.38 48.16 10.73 54.82 48.95 11.10 52.15 48.60 11.80 52.47 49.54 10.79 53.16 47.55 12.04 53.39 46.71 3 0 15.45-999 ?-999 ?-999 ? O1 PO4 B 300 mVAL^B 133 10.61 50.93 48.40 10.05 50.86 47.57 11.91 48.88 48.71 11.75 48.37 47.60 10.86 49.79 49.29 9.59 48.94 49.52 3 0 15.86-999 ?-999 ?-999 ? C1 PG6 B 299 mPHE^B 134 13.00 48.70 49.44 13.06 49.28 50.26 13.83 46.39 49.78 13.89 46.31 51.02 14.01 47.74 49.07 15.40 48.26 49.42 3 0 13.77-999 ?-999 ?-999 ? C12 PG6 B 299 mASN^B 135 13.67 45.33 49.00 13.45 45.56 48.05 15.29 43.70 49.65 16.04 43.62 48.69 13.80 43.97 49.45 13.22 43.03 48.39 2 0 10.53-999 ?-999 ?-999 ? C12 PG6 B 299 mSER.B 136 15.74 43.57 50.89 15.04 43.60 51.60 17.68 42.07 50.57 18.88 41.94 50.38 17.16 43.40 51.15 17.45 43.42 52.66 2 0 8.32-999 ?-999 ?-999 ? C12 PG6 B 299 mARG.B 137 16.79 41.08 50.42 15.84 41.37 50.49 18.17 39.16 51.24 19.02 38.29 50.98 17.19 39.69 50.17 17.72 39.54 48.75 2 0 -5.44-999 ?-999 ?-999 ? C12 PG6 B 299s mSER.B 138 17.98 39.64 52.47 17.14 40.17 52.59 18.19 39.59 54.88 16.94 39.46 54.94 18.94 39.42 53.54 20.12 40.40 53.38 2 0 3.89-999 ?-999 ?-999 ? C12 PG6 B 299 mALA.B 139 18.95 39.84 55.95 19.93 39.86 55.75 19.48 40.77 58.08 20.61 40.93 57.62 18.41 40.05 57.28 18.05 38.74 57.95 2 0 4.89-999 ?-999 ?-999 ? C11 PG6 B 299 mSER~B 140 19.11 41.24 59.25 18.12 41.23 59.38 20.94 42.83 59.61 20.39 43.76 59.01 20.08 41.71 60.25 20.90 40.51 60.77 2 0 5.65-999 ?-999 ?-999 ? C7 PG6 B 299 mVAL~B 141 22.26 42.72 59.70 22.59 41.87 60.11 23.16 43.92 57.71 23.71 44.89 57.23 23.12 43.76 59.23 24.57 43.60 59.76 3 0 8.82-999 ?-999 ?-999 ? O4 PG6 B 299 mGLY~B 142 22.57 42.97 56.97 22.33 42.14 57.47 21.47 44.39 55.31 21.77 45.21 54.46 22.32 43.14 55.53-999.99-999.99-999.99 1 0 8.08-999 ?-999 ?-999 ? O6 PG6 B 299 mGLU~B 143 20.42 44.52 56.13 20.29 43.76 56.76 20.25 46.94 56.55 20.12 48.02 55.96 19.53 45.67 56.09 18.33 45.41 57.00 2 0 10.21-999 ?-999 ?-999 ? C11 PG6 B 299 mTHR~B 144 21.03 46.81 57.61 21.04 45.89 58.01 22.71 48.52 57.03 22.76 49.74 56.86 21.80 47.92 58.12 22.73 47.47 59.29 2 0 12.39-999 ?-999 ?-999 ? C7 PG6 B 299 mLEU~B 145 23.42 47.67 56.29 23.25 46.71 56.49 23.65 48.80 54.11 24.17 49.73 53.50 24.36 48.16 55.28 25.26 47.03 54.80 3 0 13.44-999 ?-999 ?-999 ? O6 PG6 B 299 mILE~B 146 22.47 48.28 53.77 22.18 47.46 54.27 21.23 50.28 53.16 21.31 51.24 52.38 21.67 48.88 52.72 20.48 48.00 52.35 3 0 13.57-999 ?-999 ?-999 ? O6 PG6 B 299 mALA~B 147 20.82 50.42 54.41 20.83 49.57 54.95 21.56 52.70 54.85 21.38 53.86 54.49 20.41 51.71 54.92 19.87 51.56 56.39 2 0 16.07-999 ?-999 ?-999 ? O1 PO4 B 300 mLEU~B 148 22.75 52.23 55.20 22.76 51.28 55.52 24.25 53.44 53.66 24.66 54.59 53.38 23.94 53.06 55.11 25.14 52.36 55.76 3 0 17.67-999 ?-999 ?-999 ? O1 PO4 B 300 mLYS~B 149 24.04 52.49 52.74 23.71 51.61 53.09 23.31 53.84 50.80 23.70 54.74 50.06 24.27 52.77 51.32 24.19 51.49 50.49 2 0 18.06-999 ?-999 ?-999 ? O6 PG6 B 299 mVAL~B 150 22.06 53.82 51.24 21.83 53.02 51.80 21.65 56.26 51.35 21.65 57.24 50.56 21.13 54.90 50.91 19.73 54.70 51.57 3 0 16.12-999 ?-999 ?-999 ? O1 PO4 B 300 mGLN~B 151 22.09 56.33 52.60 22.04 55.47 53.12 23.80 58.05 52.31 23.91 59.20 51.94 22.60 57.59 53.15 22.97 57.40 54.64 2 0 14.98-999 ?-999 ?-999 ? O1 PO4 B 300 mGLN~B 152 24.71 57.15 52.03 24.53 56.25 52.44 25.47 58.01 49.78 26.03 59.01 49.30 25.88 57.46 51.18 26.78 56.22 51.10 2 0 18.60-999 ?-999 ?-999 ? O1 PO4 B 300 mCYH~B 153 24.50 57.40 49.12 24.11 56.59 49.57 23.42 59.30 47.94 23.66 60.19 47.11 24.05 57.90 47.83 23.08 56.94 47.22 2 0 18.75-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 154 22.62 59.51 48.97 22.48 58.70 49.55 23.11 61.89 49.48 23.04 63.03 48.95 22.02 60.81 49.21 21.08 60.69 50.39 2 0 15.70-999 ?-999 ?-999 ? O1 PO4 B 300 mLYS~B 155 24.09 61.52 50.29 23.99 60.61 50.68 26.00 62.73 49.29 26.49 63.83 49.18 25.22 62.40 50.56 26.16 61.79 51.64 2 0 17.39-999 ?-999 ?-999 ? O1 PO4 B 300 mALA~B 156 26.09 61.82 48.32 25.66 60.95 48.57 25.92 62.96 46.06 26.37 63.26 44.96 26.75 62.08 47.02 27.14 60.77 46.33 2 0 20.62-999 ?-999 ?-999 ? O1 PO4 B 300 mGLY.B 157 24.73 63.36 46.48 24.49 63.03 47.39 23.01 63.52 44.66 22.49 64.18 43.78 23.85 64.22 45.71-999.99-999.99-999.99 1 0 19.24-999 ?-999 ?-999 ? O1 PO4 B 300 mMETB 158 22.86 62.21 44.70 23.34 61.74 45.44 20.56 61.97 43.78 20.04 62.30 44.84 22.02 61.55 43.72 22.12 60.04 43.88 2 0 19.58-999 ?-999 ?-999 ? O1 PO4 B 300 mTHR~B 159 19.89 61.95 42.64 20.45 61.86 41.82 17.82 60.77 43.25 18.47 59.70 43.34 18.43 62.03 42.65 17.84 62.21 41.27 2 0 18.53-999 ?-999 ?-999 ? O1 PO4 B 300 mPHE~B 160 16.53 60.88 43.56 16.13 61.77 43.37 15.90 58.51 43.26 16.29 57.45 43.74 15.78 59.76 44.13 14.31 60.15 44.34 3 0 16.45-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 161 15.63 58.63 41.96 15.31 59.54 41.68 17.25 56.97 40.93 17.45 55.76 40.78 15.80 57.49 41.07 15.17 57.76 39.69 2 0 19.84-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 162 18.25 57.85 41.03 17.97 58.81 41.11 19.97 56.65 42.31 20.66 55.62 42.28 19.63 57.42 41.03 20.58 58.61 40.84 2 0 21.31-999 ?-999 ?-999 ? O1 PO4 B 300 mVAL~B 163 19.49 57.11 43.45 18.99 57.98 43.37 19.08 54.99 44.57 19.71 53.99 44.89 19.68 56.39 44.69 19.09 57.15 45.94 3 0 18.68-999 ?-999 ?-999 ? O1 PO4 B 300 mVAL~B 164 17.85 54.90 44.11 17.43 55.76 43.82 17.96 52.63 43.18 18.15 51.46 43.55 17.18 53.64 44.04 15.75 53.79 43.50 3 0 19.29-999 ?-999 ?-999 ? O1 PO4 B 300 mGLU~B 165 18.43 53.12 42.03 18.25 54.09 41.90 20.49 51.86 41.67 20.83 50.69 41.58 19.15 52.30 41.06 19.31 53.06 39.72 2 0 20.56-999 ?-999 ?-999 ? C1 PG6 A 299 mSER~B 166 21.23 52.75 42.32 20.84 53.67 42.37 22.42 51.42 44.07 23.23 50.52 44.23 22.53 52.34 42.89 23.41 53.53 43.31 2 0 20.12-999 ?-999 ?-999 ? C12 PG6 B 299 mVAL~B 167 21.40 51.62 44.90 20.82 52.41 44.68 20.77 49.31 45.60 21.23 48.30 46.15 21.18 50.73 46.04 20.22 51.36 47.08 3 0 17.00-999 ?-999 ?-999 ? C12 PG6 B 299 mGLU~B 168 19.91 49.24 44.59 19.58 50.11 44.23 20.71 47.18 43.49 20.81 45.98 43.70 19.50 47.96 44.06 18.37 48.09 43.06 2 0 15.49-999 ?-999 ?-999 ? C12 PG6 B 299 mCSS~B 169 21.64 47.89 42.83 21.41 48.85 42.69 23.71 46.77 43.53 24.25 45.69 43.47 22.88 47.27 42.37 23.74 48.24 41.57 2 0 16.55-999 ?-999 ?-999 ? C12 PG6 B 299 mTYR~B 170 23.82 47.57 44.59 23.40 48.47 44.48 23.88 45.87 46.37 24.61 44.94 46.71 24.51 47.13 45.80 24.54 48.26 46.85 3 0 14.95-999 ?-999 ?-999 ? C12 PG6 B 299 mILE~B 171 22.53 45.83 46.47 22.04 46.65 46.16 22.25 43.38 46.24 22.54 42.35 46.85 21.85 44.66 47.00 20.33 44.83 46.97 3 0 11.50-999 ?-999 ?-999 ? C12 PG6 B 299 mGLU~B 172 22.29 43.47 44.92 22.07 44.37 44.55 24.12 41.84 44.34 24.43 40.66 44.22 22.64 42.32 44.10 22.43 42.65 42.61 2 0 12.07-999 ?-999 ?-999 ? C12 PG6 B 299 mGLU~B 173 25.00 42.76 44.72 24.63 43.69 44.72 26.55 41.96 46.51 27.57 41.41 46.84 26.38 42.44 45.08 27.18 43.72 45.07 2 0 13.15-999 ?-999 ?-999 ? C12 PG6 B 299 mGLN~B 174 25.58 42.26 47.38 24.77 42.68 46.96 25.41 40.53 49.09 24.42 40.02 48.59 25.72 41.98 48.80 24.76 42.86 49.58 2 0 10.40-999 ?-999 ?-999 ? O6 PG6 B 299 mHIS.B 175 26.28 39.86 49.88 27.07 40.39 50.19 26.00 38.35 51.74 26.64 39.12 52.43 26.07 38.48 50.24 27.25 37.61 49.72 3 0 8.10-999 ?-999 ?-999 ? O6 PG6 B 299 mTHR^B 176 25.24 37.36 52.22 24.77 36.84 51.52 25.57 35.66 54.00 25.38 34.70 53.23 25.10 37.08 53.66 23.61 37.33 54.13 2 0 5.59-999 ?-999 ?-999 ? O6 PG6 B 299 mTYR^B 177 26.19 35.53 55.17 26.29 36.39 55.68 26.44 34.24 57.17 26.43 35.28 57.84 26.69 34.28 55.67 28.21 34.18 55.42 3 0 6.60-999 ?-999 ?-999 ? C10 PG6 B 299 mPHE^B 178 26.26 33.04 57.71 26.21 32.28 57.07 26.41 31.47 59.62 26.30 30.47 58.87 26.14 32.89 59.13 24.75 33.37 59.60 3 0 -6.02-999 ?-999 ?-999 ? C9 PG6 B 299s mVAL^B 179 26.81 31.40 60.88 26.96 32.30 61.28 26.32 30.28 62.91 26.54 31.27 63.63 27.02 30.13 61.59 28.51 29.80 61.85 3 0 8.43-999 ?-999 ?-999 ? C9 PG6 B 299 mLEU.B 180 25.45 29.32 63.23 25.37 28.59 62.55 25.08 28.15 65.32 25.57 27.13 64.80 24.70 29.34 64.48 23.19 29.30 64.23 3 0 8.25-999 ?-999 ?-999 ? C8 PG6 B 299 mGLU.B 181 24.85 28.27 66.61 24.67 29.21 66.90 23.56 26.40 67.42 23.52 25.18 67.61 24.87 27.12 67.51 25.06 27.57 68.96 2 0 11.43-999 ?-999 ?-999 ? C8 PG6 B 299 mASN.B 182 22.48 27.14 67.19 22.65 28.10 66.99 20.27 27.00 66.08 19.77 28.11 66.12 21.15 26.53 67.23 20.48 26.88 68.56 2 0 10.62-999 ?-999 ?-999 ? C8 PG6 B 299 mLEU~B 183 20.09 26.10 65.10 20.56 25.23 65.28 17.82 26.02 64.04 17.05 26.19 63.09 19.32 26.32 63.90 19.86 25.41 62.78 3 0 9.14-999 ?-999 ?-999 ? C8 PG6 B 299 mASP~B 184 17.40 25.57 65.22 18.08 25.63 65.95 14.93 26.07 65.15 13.87 25.72 64.63 16.03 25.05 65.39 15.84 24.47 66.79 2 0 9.97-999 ?-999 ?-999 ? NA NA B 301 mTHR~B 185 15.16 27.34 65.50 16.08 27.53 65.84 13.83 28.61 63.91 12.68 28.62 63.46 14.09 28.32 65.38 14.37 29.62 66.16 2 0 9.08-999 ?-999 ?-999 ? NA NA B 301 mLEU~B 186 14.90 28.80 63.14 15.76 28.86 63.64 14.10 27.66 61.04 13.21 27.77 60.18 14.78 28.92 61.67 16.18 29.13 61.05 3 0 7.05-999 ?-999 ?-999 ? C4 PG6 B 299 mARG~B 187 14.54 26.48 61.46 15.29 26.56 62.13 12.49 25.08 61.29 11.65 24.90 60.42 13.96 25.20 60.96 14.70 24.02 61.60 2 0 10.36-999 ?-999 ?-999 ? C4 PG6 B 299 mLYS~B 188 12.16 25.20 62.56 12.94 25.40 63.16 9.82 26.09 62.40 8.67 25.78 62.20 10.77 25.05 63.01 10.67 25.09 64.53 2 0 7.58-999 ?-999 ?-999 ? NA NA B 301 mASN~B 189 10.28 27.30 62.13 11.25 27.44 62.34 9.40 28.34 60.07 8.91 29.30 59.50 9.39 28.32 61.58 9.72 29.72 62.13 2 0 8.19-999 ?-999 ?-999 ? C4 PG6 B 299 mGLY.B 190 9.97 27.32 59.43 10.46 26.68 60.03 10.85 27.99 57.15 10.61 28.21 55.99 9.87 27.16 57.98-999.99-999.99-999.99 1 0 9.00-999 ?-999 ?-999 ? C4 PG6 B 299 mARG.B 191 11.96 28.43 57.75 12.09 28.11 58.69 14.06 28.60 56.35 14.87 29.25 55.67 12.88 29.31 57.04 13.37 30.41 57.98 2 0 -6.67-999 ?-999 ?-999 ? C4 PG6 B 299s mLEU.B 192 14.17 27.28 56.53 13.44 26.89 57.09 14.74 25.42 54.99 15.32 24.32 54.91 15.27 26.48 55.95 16.04 25.76 57.04 3 0 9.78-999 ?-999 ?-999 ? C5 PG6 B 299 mTHR.B 193 13.67 25.74 54.28 13.39 26.70 54.32 13.92 24.03 52.52 13.88 22.82 52.39 12.98 24.72 53.52 11.72 25.22 52.83 2 0 12.28-999 ?-999 ?-999 ? C12 PG6 B 299 mGLY.B 194 14.82 24.76 51.88 14.78 25.74 52.06 16.49 22.79 51.56 16.69 21.78 50.85 15.79 24.06 51.00-999.99-999.99-999.99 1 0 12.08-999 ?-999 ?-999 ? C12 PG6 B 299 mILE.B 195 16.82 22.81 52.84 16.12 23.17 53.46 17.99 21.10 54.08 17.32 21.11 55.10 18.11 22.34 53.27 18.78 23.43 54.15 3 0 13.21-999 ?-999 ?-999 ? C12 PG6 B 299 mLYS.B 196 18.68 20.05 53.65 19.15 20.17 52.78 19.35 19.12 55.76 20.32 19.87 55.81 18.70 18.82 54.43 19.48 17.71 53.73 2 0 16.54-999 ?-999 ?-999 ? O5 PG6 B 299 mSER.B 197 18.78 18.54 56.81 17.97 18.01 56.58 20.46 17.70 58.33 20.51 16.67 57.66 19.28 18.65 58.15 18.18 18.26 59.11 2 0 16.24-999 ?-999 ?-999 ? O5 PG6 B 299 mLEU.B 198 21.41 18.02 59.21 21.31 18.93 59.62 22.52 16.51 60.95 22.24 17.22 61.92 22.51 17.08 59.49 23.87 17.64 59.03 3 0 18.04-999 ?-999 ?-999 ? O5 PG6 B 299 mVAL.B 199 22.83 15.22 61.05 23.20 14.83 60.20 23.58 14.93 63.40 24.75 15.20 63.15 22.65 14.44 62.28 22.84 12.90 62.01 3 0 19.98-999 ?-999 ?-999 ? NA NA B 301 mALA.B 200 23.05 15.07 64.63 22.10 14.76 64.69 24.47 14.51 66.57 25.52 13.98 66.17 23.81 15.62 65.76 22.90 16.47 66.65 2 0 19.39-999 ?-999 ?-999 ? NA NA B 301 mLEU.B 203 29.02 14.28 65.52 28.44 13.97 64.77 29.68 16.24 66.98 29.05 16.52 68.04 29.89 14.74 66.62 31.36 14.43 66.32 3 0 23.28-999 ?-999 ?-999 ? C8 PG6 B 299 mASN.B 204 30.21 17.16 66.15 30.74 16.76 65.40 30.17 19.41 64.97 30.79 20.46 64.92 30.02 18.62 66.32 30.97 19.19 67.39 2 0 19.99-999 ?-999 ?-999 ? C8 PG6 B 299 mILE^B 205 29.58 18.86 63.91 29.20 17.95 64.10 28.63 20.76 62.69 27.53 20.73 63.26 29.50 19.50 62.61 28.94 18.54 61.53 3 0 18.29-999 ?-999 ?-999 ? C8 PG6 B 299 mLYS^B 206 29.15 21.87 62.18 30.09 21.76 61.86 28.29 23.50 60.61 29.29 23.66 59.91 28.43 23.13 62.10 29.16 24.24 62.88 2 0 14.61-999 ?-999 ?-999 ? C9 PG6 B 299 mPRO^B 207 27.04 23.65 60.12 26.29 23.41 60.73 27.23 25.64 58.65 27.00 26.37 59.58 26.88 24.16 58.75 25.40 23.92 58.42 3 0 12.70-999 ?-999 ?-999 ? C9 PG6 B 299 mILE^B 208 27.84 26.03 57.53 28.15 25.30 56.93 26.89 27.75 56.29 26.79 27.20 55.19 28.04 27.42 57.23 29.38 27.75 56.58 3 0 10.99-999 ?-999 ?-999 ? C9 PG6 B 299 mMETB 209 26.03 28.65 56.73 26.27 29.03 57.62 25.04 30.33 55.26 25.96 31.13 55.55 24.85 29.02 55.97 23.61 29.11 56.87 2 0 7.91-999 ?-999 ?-999 ? C10 PG6 B 299 mGLY^B 210 24.12 30.59 54.35 23.42 29.89 54.22 22.93 32.14 52.80 22.04 31.29 52.63 24.16 31.83 53.62-999.99-999.99-999.99 1 0 5.80-999 ?-999 ?-999 ? O6 PG6 B 299 mSER^B 211 22.92 33.37 52.30 23.67 33.93 52.65 22.17 33.28 49.98 23.33 32.96 49.62 21.93 33.85 51.35 21.98 35.38 51.24 2 0 4.07-999 ?-999 ?-999 ? C12 PG6 B 299 mTHR.B 212 21.08 33.13 49.22 20.22 33.15 49.73 20.74 34.31 47.18 20.20 35.17 47.90 21.14 32.96 47.78 20.09 31.92 47.31 2 0 6.53-999 ?-999 ?-999 ? C12 PG6 B 299 mPRO.B 213 20.98 34.51 45.86 21.37 33.74 45.35 19.18 36.09 45.35 18.81 37.27 45.38 20.66 35.78 45.25 21.10 35.60 43.79 3 0 8.27-999 ?-999 ?-999 ? C12 PG6 B 299 mGLN.B 214 18.36 35.05 45.49 18.84 34.17 45.52 16.44 35.67 46.98 15.28 36.06 47.16 16.90 35.21 45.60 16.19 33.89 45.27 2 0 7.94-999 ?-999 ?-999 ? C12 PG6 B 299 mGLY.B 215 17.33 35.53 47.96 18.21 35.16 47.68 16.56 34.72 50.19 15.96 34.93 51.24 17.00 35.89 49.34-999.99-999.99-999.99 1 0 -4.36-999 ?-999 ?-999 ? C12 PG6 B 299s mTHR.B 216 16.81 33.49 49.75 17.20 33.46 48.83 17.83 31.95 51.27 18.87 32.52 50.98 16.53 32.31 50.57 16.01 31.10 49.72 2 0 4.80-999 ?-999 ?-999 ? C12 PG6 B 299 mILE^B 217 17.76 30.97 52.16 16.84 30.61 52.28 19.36 29.17 52.20 18.51 28.35 51.81 18.91 30.48 52.87 18.53 30.23 54.33 3 0 5.07-999 ?-999 ?-999 ? C12 PG6 B 299 mCYH^B 218 20.68 29.01 52.04 21.23 29.83 52.21 22.41 27.34 52.53 22.85 28.15 53.34 21.25 27.72 51.63 21.73 27.79 50.22 2 0 8.36-999 ?-999 ?-999 ? C12 PG6 B 299 mGLN^B 219 22.89 26.09 52.41 22.38 25.47 51.83 25.27 25.94 52.15 25.24 25.51 50.99 24.09 25.72 53.10 23.99 24.28 53.64 2 0 10.82-999 ?-999 ?-999 ? O6 PG6 B 299 mLYS^B 220 26.29 26.65 52.60 26.17 26.96 53.55 28.56 25.90 52.04 29.31 25.55 51.15 27.46 26.93 51.77 28.03 28.34 52.02 2 0 11.85-999 ?-999 ?-999 ? O6 PG6 B 299 mGLU^B 221 28.67 25.43 53.26 27.95 25.70 53.90 29.43 23.97 54.95 28.38 24.28 55.52 29.77 24.58 53.61 31.05 25.44 53.63 2 0 14.77-999 ?-999 ?-999 ? C10 PG6 B 299 mLYS^B 222 30.29 23.08 55.43 31.00 22.80 54.78 31.59 22.28 57.35 32.54 22.08 56.57 30.19 22.57 56.78 29.34 21.29 56.78 2 0 16.08-999 ?-999 ?-999 ? C9 PG6 B 299 mALA^B 223 31.70 22.28 58.68 30.84 22.42 59.16 32.81 21.41 60.70 31.75 21.47 61.30 33.00 22.09 59.36 33.72 23.42 59.54 2 0 18.04-999 ?-999 ?-999 ? C9 PG6 B 299 mARG^B 224 33.88 20.77 61.18 34.65 20.81 60.55 34.25 21.12 63.53 35.39 21.55 63.62 33.91 20.09 62.48 34.98 18.99 62.46 2 0 20.34-999 ?-999 ?-999 ? C9 PG6 B 299 mGLY~B 225 33.25 21.57 64.28 32.35 21.21 64.03 33.43 23.93 64.88 33.54 24.22 63.69 33.50 22.50 65.36-999.99-999.99-999.99 1 0 19.02-999 ?-999 ?-999 ? C9 PG6 B 299 mMETB 226 33.27 24.82 65.83 33.32 24.42 66.75 34.29 26.98 65.05 34.17 27.81 64.17 33.05 26.25 65.57 32.58 26.89 66.88 2 0 16.49-999 ?-999 ?-999 ? C9 PG6 B 299 mLYS~B 227 35.46 26.71 65.61 35.43 26.03 66.34 36.89 27.08 63.65 37.14 28.01 62.88 36.68 27.35 65.16 37.87 26.86 66.00 2 0 18.77-999 ?-999 ?-999 ? C9 PG6 B 299 mLYS~B 228 36.75 25.83 63.22 36.53 25.16 63.93 35.78 26.09 60.99 36.00 26.44 59.83 36.91 25.53 61.81 37.06 24.04 61.54 2 0 19.10-999 ?-999 ?-999 ? C9 PG6 B 299 mALA~B 229 34.58 26.14 61.57 34.54 25.78 62.50 33.64 28.17 60.53 33.34 28.62 59.43 33.42 26.69 60.83 32.08 26.50 61.56 2 0 15.44-999 ?-999 ?-999 ? C9 PG6 B 299 mLEU~B 230 34.17 28.92 61.48 34.37 28.42 62.33 35.47 30.59 60.20 35.37 31.51 59.42 34.41 30.35 61.27 34.81 31.05 62.57 3 0 14.75-999 ?-999 ?-999 ? C9 PG6 B 299 mVAL~B 231 36.48 29.73 60.16 36.50 29.06 60.90 36.82 29.55 57.72 37.07 30.28 56.77 37.46 29.81 59.08 38.65 28.84 59.32 3 0 17.72-999 ?-999 ?-999 ? C9 PG6 B 299 mLYS~B 232 35.97 28.54 57.61 35.84 28.03 58.46 34.35 29.35 55.91 34.29 29.75 54.74 35.32 28.25 56.33 34.63 26.87 56.37 2 0 16.59-999 ?-999 ?-999 ? C9 PG6 B 299 mMETB 233 33.63 29.90 56.89 33.73 29.47 57.79 33.62 32.22 56.08 33.27 32.82 55.08 32.78 31.06 56.60 31.95 31.50 57.82 2 0 13.19-999 ?-999 ?-999 ? C9 PG6 B 299 mALA~B 234 34.73 32.54 56.74 34.88 32.00 57.58 36.15 33.31 54.81 36.29 34.24 54.04 35.62 33.60 56.25 36.76 33.85 57.21 2 0 15.42-999 ?-999 ?-999 ? C10 PG6 B 299 mASP~B 235 36.44 32.04 54.49 36.39 31.39 55.24 35.69 31.97 52.15 35.95 32.53 51.07 36.81 31.65 53.14 37.17 30.14 53.06 2 0 17.34-999 ?-999 ?-999 ? C10 PG6 B 299 mCYH~B 236 34.46 31.61 52.51 34.40 31.15 53.40 33.13 33.36 51.36 32.85 33.76 50.21 33.31 31.88 51.63 32.01 31.34 52.22 2 0 14.29-999 ?-999 ?-999 ? O6 PG6 B 299 mVAL~B 237 33.23 34.17 52.40 33.45 33.70 53.26 34.10 36.13 51.29 33.81 36.88 50.34 33.05 35.62 52.27 33.18 36.40 53.63 3 0 13.44-999 ?-999 ?-999 ? O6 PG6 B 299 mALA~B 238 35.34 35.68 51.50 35.42 35.03 52.26 36.29 35.74 49.17 36.66 36.51 48.29 36.44 36.14 50.65 37.78 35.66 51.18 2 0 16.07-999 ?-999 ?-999 ? O3 PO4 A 300 mALA~B 239 35.76 34.56 48.94 35.47 34.07 49.76 34.58 34.82 46.78 34.69 34.87 45.55 35.61 34.04 47.59 35.25 32.51 47.60 2 0 16.59-999 ?-999 ?-999 ? O3 PO4 A 300 mASP~B 240 33.59 35.44 47.43 33.66 35.41 48.43 32.63 37.60 46.57 31.93 38.17 45.78 32.51 36.09 46.69 31.15 35.85 47.37 2 0 14.90-999 ?-999 ?-999 ? O6 PG6 B 299 mVAL~B 241 33.46 38.24 47.40 34.10 37.65 47.90 34.08 40.37 46.38 35.10 39.92 45.92 33.40 39.70 47.56 34.03 40.20 48.90 3 0 14.18-999 ?-999 ?-999 ? O3 PO4 A 300 mVAL.B 242 33.49 41.45 45.89 32.61 41.64 46.33 34.34 43.65 45.40 33.49 44.18 46.12 34.08 42.28 44.83 33.08 42.46 43.66 3 0 11.41-999 ?-999 ?-999 ? O3 PO4 A 300 mASN~B 243 35.50 44.26 45.11 36.12 43.70 44.55 35.60 45.83 47.10 35.02 46.82 47.54 35.80 45.61 45.57 35.04 46.67 44.76 2 0 9.17-999 ?-999 ?-999 ? O3 PO4 A 300 mALA~B 244 36.11 44.88 47.88 36.53 44.13 47.37 36.63 46.23 49.85 36.15 46.76 50.89 36.07 44.93 49.34 36.88 43.73 49.96 2 0 11.28-999 ?-999 ?-999 ? O3 PO4 A 300 mGLY~B 245 37.63 46.74 49.16 37.88 46.21 48.35 37.42 49.24 49.77 37.77 50.15 50.53 38.29 48.00 49.58-999.99-999.99-999.99 1 0 9.87-999 ?-999 ?-999 ? O3 PO4 A 300 mASP~B 246 36.33 49.33 49.03 36.21 48.56 48.40 34.14 50.09 49.92 33.22 50.88 49.99 35.40 50.45 49.13 34.97 50.93 47.72 2 0 11.91-999 ?-999 ?-999 ? O3 PO4 A 300 mLYS.B 247 34.11 48.91 50.51 34.95 48.37 50.45 33.04 48.43 52.72 34.09 48.32 53.28 32.95 48.46 51.20 32.51 47.09 50.66 2 0 14.69-999 ?-999 ?-999 ? O3 PO4 A 300 mILE^B 248 31.88 48.51 53.35 31.10 48.70 52.76 31.37 46.90 55.05 30.40 46.41 54.46 31.80 48.33 54.79 30.81 49.32 55.44 3 0 17.41-999 ?-999 ?-999 ? C10 PG6 B 299 mLEU^B 249 32.12 46.19 55.88 32.95 46.67 56.15 31.08 44.93 57.76 31.55 45.62 58.68 31.76 44.86 56.36 33.02 44.00 56.42 3 0 14.85-999 ?-999 ?-999 ? C10 PG6 B 299 mALA^B 250 29.97 44.22 57.90 29.70 43.69 57.09 29.17 42.80 59.74 29.01 41.81 59.02 29.22 44.21 59.14 27.78 44.80 58.92 2 0 12.51-999 ?-999 ?-999 ? C9 PG6 B 299 mILE^B 251 29.35 42.71 61.06 29.57 43.59 61.49 28.20 41.69 62.92 28.36 42.57 63.73 29.22 41.47 61.82 30.59 41.05 62.45 3 0 10.94-999 ?-999 ?-999 ? C9 PG6 B 299 mALA^B 252 27.14 40.90 62.93 27.04 40.37 62.09 26.44 39.52 64.85 26.67 38.48 64.25 26.20 40.82 64.08 24.75 40.90 63.59 2 0 8.77-999 ?-999 ?-999 ? O4 PG6 B 299 mHIS^B 253 26.43 39.62 66.19 26.27 40.54 66.53 25.55 38.53 68.15 25.12 39.60 68.58 26.65 38.49 67.08 28.03 38.54 67.75 3 0 9.58-999 ?-999 ?-999 ? O4 PG6 B 299 mCYH.B 254 25.11 37.36 68.54 25.51 36.61 68.02 24.87 36.68 70.83 25.15 35.51 70.94 24.14 37.19 69.61 23.09 36.19 69.20 2 0 9.55-999 ?-999 ?-999 ? O4 PG6 B 299 mASN.B 255 25.27 37.61 71.70 25.10 38.55 71.39 27.21 36.51 72.83 27.48 35.60 73.59 25.90 37.28 72.98 24.90 36.51 73.86 2 0 13.34-999 ?-999 ?-999 ? O4 PG6 B 299 mCYH~B 256 28.04 36.88 71.85 27.68 37.59 71.25 30.32 37.28 71.06 30.82 37.06 69.94 29.35 36.28 71.70 29.26 34.99 70.88 2 0 14.37-999 ?-999 ?-999 ? O4 PG6 B 299 mGLU~B 257 30.61 38.35 71.78 30.25 38.34 72.72 32.80 38.97 70.84 33.33 39.38 69.82 31.39 39.44 71.22 31.49 40.62 72.16 2 0 15.92-999 ?-999 ?-999 ? O4 PG6 B 299 mGLU~B 258 33.38 38.09 71.64 32.84 37.80 72.43 34.78 36.82 70.04 35.75 36.93 69.29 34.73 37.61 71.33 35.33 36.81 72.49 2 0 18.41-999 ?-999 ?-999 ? O4 PG6 B 299 mARG~B 259 33.73 36.06 69.76 33.03 36.02 70.47 33.54 36.29 67.35 34.11 36.00 66.28 33.62 35.34 68.52 32.39 34.44 68.55 2 0 15.79-999 ?-999 ?-999 ? C8 PG6 B 299 mALA~B 260 32.81 37.39 67.50 32.35 37.48 68.39 34.08 38.98 66.13 34.44 39.18 65.00 32.69 38.37 66.44 31.67 39.51 66.84 2 0 14.32-999 ?-999 ?-999 ? C9 PG6 B 299 mLYS~B 261 34.85 39.27 67.17 34.41 39.10 68.05 37.12 38.79 66.32 37.94 39.20 65.51 36.22 39.79 67.01 36.78 40.25 68.36 2 0 17.94-999 ?-999 ?-999 ? C9 PG6 B 299 mGLU~B 262 36.94 37.51 66.60 36.25 37.33 67.30 37.37 36.40 64.44 38.26 36.30 63.59 37.70 36.47 65.94 37.47 35.13 66.62 2 0 18.33-999 ?-999 ?-999 ? C9 PG6 B 299 mVAL~B 263 36.09 36.42 64.11 35.48 36.40 64.90 36.20 37.73 62.01 36.70 37.63 60.90 35.64 36.48 62.72 34.08 36.45 62.71 3 0 15.46-999 ?-999 ?-999 ? C9 PG6 B 299 mGLN~B 264 36.15 38.88 62.66 35.71 38.84 63.55 38.19 39.91 61.79 38.66 40.28 60.73 36.68 40.08 62.11 36.40 41.24 63.06 2 0 17.03-999 ?-999 ?-999 ? C9 PG6 B 299 mARG~B 265 38.94 39.30 62.71 38.45 39.04 63.54 40.60 38.10 61.30 41.48 38.29 60.48 40.37 39.06 62.49 40.96 38.50 63.79 2 0 20.38-999 ?-999 ?-999 ? C9 PG6 B 299 mLEU~B 266 39.78 37.06 61.20 39.08 37.01 61.91 39.70 36.76 58.76 40.45 36.55 57.79 39.96 36.11 60.12 39.09 34.87 60.35 3 0 19.40-999 ?-999 ?-999 ? C9 PG6 B 299 mLEU~B 267 38.67 37.58 58.69 38.17 37.70 59.54 39.46 39.25 57.01 39.78 39.39 55.84 38.35 38.24 57.44 36.98 38.94 57.58 3 0 18.14-999 ?-999 ?-999 ? C9 PG6 B 299 mLYS~B 268 40.05 39.92 57.99 39.73 39.69 58.91 42.34 40.21 57.20 43.09 40.83 56.49 41.06 40.91 57.72 41.35 41.74 58.96 2 0 17.58-999 ?-999 ?-999 ? O3 PO4 A 300 mGLU~B 269 42.55 38.94 57.51 41.88 38.56 58.15 43.44 37.89 55.49 44.38 37.62 54.79 43.67 38.18 56.95 43.84 36.83 57.63 2 0 17.83-999 ?-999 ?-999 ? O3 PO4 A 300 mARG~B 270 42.19 37.98 55.05 41.54 38.35 55.72 41.58 38.74 52.74 41.83 38.58 51.59 41.78 37.58 53.73 40.56 36.68 53.79 2 0 15.62-999 ?-999 ?-999 ? O3 PO4 A 300 mPHE~B 271 41.13 39.88 53.20 40.93 39.88 54.18 40.83 42.26 53.15 40.50 42.19 54.31 40.97 41.02 52.32 39.73 40.86 51.42 3 0 12.74-999 ?-999 ?-999 ? O3 PO4 A 300 mALA.B 272 41.10 43.40 52.56 41.36 43.33 51.59 39.67 45.30 52.93 39.20 45.21 51.81 41.02 44.63 53.27 42.28 45.56 52.92 2 0 12.36-999 ?-999 ?-999 ? O3 PO4 A 300 mVAL.B 273 39.04 45.94 53.91 39.53 45.91 54.78 37.88 48.09 53.98 38.85 48.52 54.61 37.73 46.61 53.70 36.63 45.99 54.59 3 0 13.67-999 ?-999 ?-999 ? O3 PO4 A 300 mLYS.B 274 36.93 48.90 53.54 36.21 48.47 52.99 36.85 50.52 55.37 37.55 51.33 55.97 37.00 50.31 53.87 35.93 51.10 53.15 2 0 14.53-999 ?-999 ?-999 ? O3 PO4 A 300 mSER^B 275 35.94 49.78 55.98 35.38 49.22 55.36 34.88 48.60 57.80 34.33 47.95 56.93 35.77 49.78 57.43 35.15 51.08 57.93 2 0 18.09-999 ?-999 ?-999 ? O3 PO4 A 300 mSER^B 276 34.82 48.30 59.09 35.40 48.84 59.69 33.38 47.62 60.92 33.95 48.47 61.63 33.95 47.24 59.55 34.67 45.89 59.60 2 0 18.01-999 ?-999 ?-999 ? C9 PG6 B 299 mPHE^B 277 32.24 47.02 61.26 31.83 46.45 60.55 31.02 45.91 63.08 30.69 45.04 62.29 31.67 47.21 62.59 30.67 48.39 62.63 3 0 16.65-999 ?-999 ?-999 ? C9 PG6 B 299 mILE^B 278 30.93 45.81 64.39 31.35 46.60 64.85 29.10 45.27 65.87 29.21 46.33 66.50 30.30 44.74 65.11 31.28 44.10 66.11 3 0 14.46-999 ?-999 ?-999 ? O4 PG6 B 299 mVAL^B 279 27.97 44.58 65.79 28.03 43.77 65.20 26.11 43.81 67.21 26.24 42.67 66.74 26.74 44.99 66.53 25.62 45.67 65.64 3 0 12.64-999 ?-999 ?-999 ? O4 PG6 B 299 mASP^B 280 25.39 44.08 68.30 25.46 45.02 68.64 23.33 42.87 68.09 22.78 43.86 67.56 24.57 43.07 68.94 24.13 43.51 70.33 2 0 11.48-999 ?-999 ?-999 ? O4 PG6 B 299 mTHR.B 281 22.87 41.62 68.00 23.43 40.94 68.47 20.42 41.96 67.83 20.23 42.05 69.04 21.66 41.29 67.27 21.41 39.76 67.18 2 0 8.11-999 ?-999 ?-999 ? O4 PG6 B 299 mSER~B 282 19.57 42.44 66.92 19.93 42.39 65.99 17.38 41.89 67.86 17.77 40.73 67.95 18.24 42.97 67.26 17.55 43.46 65.97 2 0 8.69-999 ?-999 ?-999 ? C7 PG6 B 299 mGLY~B 283 16.17 42.26 68.25 15.96 43.23 68.17 14.93 40.12 67.80 15.03 38.95 68.15 15.24 41.26 68.75-999.99-999.99-999.99 1 0 9.11-999 ?-999 ?-999 ? C7 PG6 B 299 mILE~B 284 14.56 40.45 66.57 14.52 41.44 66.40 15.52 38.63 65.24 15.48 37.40 65.15 14.27 39.44 65.59 13.63 40.05 64.32 3 0 6.17-999 ?-999 ?-999 ? O3 PG6 B 299 mSER~B 285 16.66 39.30 65.09 16.61 40.29 65.22 18.24 37.60 65.88 18.66 36.50 65.62 17.88 38.56 64.74 19.06 39.50 64.48 2 0 3.92-999 ?-999 ?-999 ? C7 PG6 B 299 mTHR~B 286 18.07 38.02 67.12 17.77 38.97 67.17 17.40 35.91 68.31 17.88 34.76 68.50 18.29 37.15 68.29 18.13 37.96 69.57 2 0 6.96-999 ?-999 ?-999 ? O4 PG6 B 299 mVAL~B 287 16.11 36.11 68.04 15.86 37.06 67.85 15.60 33.92 67.04 15.50 32.74 67.34 15.19 35.01 68.02 13.78 35.49 67.70 3 0 7.37-999 ?-999 ?-999 ? C7 PG6 B 299 mTYR~B 288 16.11 34.32 65.86 16.27 35.30 65.75 17.87 32.91 64.83 18.16 31.78 64.43 16.39 33.38 64.85 15.92 33.91 63.50 3 0 5.01-999 ?-999 ?-999 ? C7 PG6 B 299 mALA~B 289 18.77 33.76 65.28 18.38 34.63 65.58 20.55 32.53 66.55 21.37 31.61 66.46 20.22 33.40 65.32 21.09 34.61 65.32 2 0 4.73-999 ?-999 ?-999 ? C8 PG6 B 299 mASN~B 290 19.84 32.81 67.65 19.12 33.49 67.48 21.39 32.56 69.61 22.32 33.08 68.98 20.04 32.22 68.95 19.76 30.72 68.89 2 0 8.49-999 ?-999 ?-999 ? O4 PG6 B 299 mASP.B 291 21.47 32.26 70.89 20.60 31.95 71.28 23.90 31.76 70.89 23.87 30.64 70.47 22.71 32.36 71.66 22.54 31.68 73.00 2 0 11.42-999 ?-999 ?-999 ? O4 PG6 B 299 mGLY.B 292 24.94 32.53 70.70 24.82 33.46 71.05 26.22 32.29 68.54 27.25 32.01 67.94 26.15 32.06 70.04-999.99-999.99-999.99 1 0 11.51-999 ?-999 ?-999 ? C8 PG6 B 299 mGLY.B 293 25.17 32.83 67.93 24.43 33.10 68.54 25.96 34.16 65.95 26.10 35.19 66.65 25.14 32.99 66.47-999.99-999.99-999.99 1 0 7.97-999 ?-999 ?-999 ? C8 PG6 B 299 mILE^B 294 26.47 33.99 64.74 26.24 33.11 64.33 26.78 35.19 62.64 26.55 34.22 61.92 27.29 34.99 64.06 28.80 34.53 63.95 3 0 8.11-999 ?-999 ?-999 ? C9 PG6 B 299 mILE^B 295 26.61 36.46 62.24 26.82 37.13 62.95 27.17 37.83 60.32 27.51 38.83 60.99 26.17 36.83 60.91 24.76 37.52 60.98 3 0 -6.00-999 ?-999 ?-999 ? C9 PG6 B 299s mVAL^B 296 27.62 37.59 59.08 27.27 36.75 58.67 27.95 38.87 57.03 27.41 38.03 56.29 28.54 38.47 58.38 29.85 37.76 58.09 3 0 8.68-999 ?-999 ?-999 ? C9 PG6 B 299 mVAL^B 297 28.01 40.17 56.75 28.35 40.74 57.49 28.64 41.68 54.97 29.15 42.47 55.74 27.61 40.69 55.47 26.24 41.39 55.54 3 0 9.12-999 ?-999 ?-999 ? C10 PG6 B 299 mVAL.B 298 28.91 41.63 53.68 28.55 40.82 53.22 29.14 42.67 51.53 29.13 43.72 50.85 29.67 42.64 52.98 31.22 42.36 53.04 3 0 12.25-999 ?-999 ?-999 ? O6 PG6 B 299