HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-APR-09 3H9P COMPND PUTATIVE TRIPHOSPHORIBOSYL-DEPHOSPHO-COA SYNTHASE; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 GENE: AF_1835; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR C.CHANG,R.WU,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 2 (MCSG) HET MSE A 75 8 HET MSE A 103 8 HET MSE A 164 8 HET MSE A 166 8 HET MSE A 221 8 HET MSE B 75 8 HET MSE B 103 8 HET MSE B 164 8 HET MSE B 166 8 HET MSE B 221 8 HET MSE C 75 8 HET MSE C 103 8 HET MSE C 164 8 HET MSE C 166 8 HET MSE C 221 8 HET CL A 302 1 HET GOL A 303 6 HET PG4 B 301 13 SITE 1 AC1 1 ARG A 113 SITE 1 AC2 6 PRO A 52 LEU A 55 GLU A 56 GLU A 59 SITE 1 AC3 2 ALA A 58 TRP A 98 mLYS~A 39 47.59 34.65 34.81 47.71 33.84 35.38 46.10 36.57 34.27 45.75 37.58 33.64 47.42 35.86 33.96 47.49 35.49 32.49 2 0 26.40-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 40 45.38 36.02 35.25 45.78 35.19 35.63 44.43 37.88 36.47 43.71 38.88 36.34 44.13 36.59 35.72 43.40 35.59 36.62 3 0 23.94-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 41 45.52 37.83 37.24 45.99 36.95 37.22 46.13 40.22 37.23 45.44 41.22 37.49 45.98 38.95 38.05 47.29 38.61 38.73 2 0 22.59-999 ?-999 ?-999 ? O3 GOL A 303 mHIS~A 42 47.01 40.17 36.23 47.46 39.28 36.14 46.01 41.88 34.83 45.81 43.10 34.83 47.30 41.30 35.36 48.21 40.90 34.21 3 0 21.71-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 43 45.14 40.99 34.37 45.43 40.03 34.46 42.98 42.10 34.80 42.34 43.10 34.48 43.87 41.38 33.79 43.16 40.16 33.21 3 0 20.04-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 44 42.96 41.58 36.03 43.57 40.80 36.15 42.56 43.49 37.58 41.72 44.38 37.80 42.11 42.11 37.10 42.05 41.12 38.27 3 0 17.99-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 45 43.87 43.68 37.74 44.42 42.87 37.59 44.10 46.07 37.05 43.57 47.14 37.38 44.41 44.99 38.10 45.89 44.90 38.31 2 0 16.76-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 46 44.42 45.77 35.79 44.75 44.83 35.65 42.83 47.15 34.46 42.53 48.33 34.25 44.29 46.73 34.70 44.93 46.18 33.43 2 0 15.89-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 47 41.92 46.19 34.52 42.26 45.26 34.65 40.09 47.42 35.58 39.24 48.28 35.43 40.52 46.56 34.39 39.65 45.32 34.28 2 0 13.95-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 48 40.69 47.16 36.75 41.38 46.44 36.69 40.87 49.31 38.04 40.34 50.14 38.78 40.36 47.87 37.99 40.89 47.10 39.17 2 0 12.07-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~A 49 41.90 49.60 37.25 42.36 48.82 36.85 41.16 51.74 36.34 41.12 52.95 36.42 42.29 50.98 37.02-999.99-999.99-999.99 1 0 11.11-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 50 40.22 51.03 35.69 40.35 50.04 35.72 37.82 51.82 35.83 36.75 52.31 35.36 39.10 51.68 35.00 38.79 50.95 33.69 2 0 9.04-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 51 37.90 51.38 37.07 38.79 51.03 37.36 36.02 52.81 37.98 34.82 52.88 37.85 36.72 51.41 37.90 37.05 50.86 39.28 3 0 7.24-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~A 52 36.79 53.90 38.17 37.76 53.76 38.34 35.35 55.50 36.83 34.27 56.10 36.89 36.12 55.21 38.13 37.27 56.23 38.30 3 0 -3.65-999 ?-999 ?-999 ? O3 GOL A 303s mALA~A 53 35.90 55.10 35.67 36.83 54.73 35.77 33.92 54.38 34.41 32.88 54.83 33.92 35.20 55.20 34.39 36.10 54.68 33.25 2 0 5.38-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 54 33.99 53.17 34.98 34.90 52.93 35.32 31.72 52.94 35.91 30.54 52.88 35.53 32.82 52.31 35.07 33.18 50.92 35.63 3 0 6.87-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 55 32.08 53.56 37.03 33.05 53.49 37.24 30.45 55.44 37.08 29.24 55.67 37.14 31.09 54.28 37.86 31.70 54.77 39.17 3 0 -4.30-999 ?-999 ?-999 ? C2 GOL A 303s mGLU~A 56 31.27 56.12 36.29 32.24 55.86 36.36 29.72 56.61 34.37 28.67 57.19 34.20 30.75 57.15 35.41 31.90 57.92 34.78 2 0 -3.58-999 ?-999 ?-999 ? C1 GOL A 303s mVAL~A 57 30.04 55.48 33.73 30.96 55.14 33.93 27.82 54.43 33.49 26.73 54.67 32.93 29.14 54.81 32.82 29.85 53.55 32.20 3 0 6.85-999 ?-999 ?-999 ? O1 GOL A 303 mALA~A 58 27.91 53.84 34.70 28.84 53.67 35.03 25.77 54.70 35.74 24.52 54.57 35.74 26.69 53.49 35.46 27.04 52.76 36.76 2 0 -6.15-999 ?-999 ?-999 ? O1 GOL A 303s mGLU~A 59 26.39 55.87 35.96 27.38 55.78 35.97 25.18 57.80 34.87 24.00 58.13 34.76 25.69 57.14 36.16 26.63 58.11 36.88 2 0 -4.37-999 ?-999 ?-999 ? O1 GOL A 303s mLYS~A 60 26.06 58.00 33.89 26.97 57.62 34.05 25.10 57.87 31.52 24.32 58.36 30.72 25.66 58.73 32.67 26.79 59.63 32.14 2 0 7.07-999 ?-999 ?-999 ? O1 GOL A 303 mARG~A 61 25.52 56.61 31.44 26.20 56.39 32.14 25.55 55.99 29.04 24.90 55.75 28.03 25.02 55.64 30.44 23.48 55.60 30.41 2 0 5.83-999 ?-999 ?-999 ? CL CL A 302 mILE~A 62 26.74 56.55 29.01 27.17 56.56 29.92 28.30 56.03 27.25 29.38 55.83 27.76 27.39 57.10 27.84 28.35 58.18 28.39 3 0 8.14-999 ?-999 ?-999 ? CL CL A 302 mILE~A 63 27.94 55.37 26.16 27.12 55.72 25.69 30.15 54.61 25.21 31.16 54.19 25.78 28.75 54.22 25.74 28.03 53.26 24.74 3 0 9.97-999 ?-999 ?-999 ? CL CL A 302 mGLY~A 64 30.17 55.39 24.13 29.26 55.65 23.80 32.39 56.48 24.40 33.54 56.03 24.52 31.39 55.84 23.46-999.99-999.99-999.99 1 0 13.14-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 65 31.95 57.56 25.04 31.03 57.85 24.78 33.28 57.31 27.08 34.44 57.41 27.49 32.75 58.26 26.04 31.92 59.33 26.75 2 0 12.37-999 ?-999 ?-999 ? C3 GOL A 303 mGLY~A 66 32.42 56.40 27.52 31.51 56.48 27.10 33.94 54.51 28.11 34.88 54.31 28.91 32.77 55.39 28.51-999.99-999.99-999.99 1 0 10.43-999 ?-999 ?-999 ? C3 GOL A 303 mVAL~A 67 33.89 54.00 26.88 33.08 54.27 26.35 36.21 53.94 26.31 37.23 53.51 26.81 34.95 53.12 26.37 34.61 52.54 24.97 3 0 13.38-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 68 36.11 55.16 25.79 35.18 55.40 25.51 37.94 56.44 26.98 39.17 56.45 27.09 37.26 56.04 25.66 36.90 57.27 24.81 3 0 13.70-999 ?-999 ?-999 ? O3 GOL A 303 mARG~A 69 37.12 56.75 27.99 36.16 56.77 27.73 38.23 55.79 29.95 39.34 55.86 30.51 37.60 57.03 29.34 36.45 57.54 30.21 2 0 10.20-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 70 37.55 54.66 29.84 36.67 54.74 29.37 39.47 53.19 29.81 40.39 52.85 30.54 38.09 53.42 30.38 37.16 52.21 30.09 2 0 10.47-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~A 71 39.61 53.39 28.50 38.79 53.74 28.04 41.95 54.09 28.29 43.06 53.68 28.61 40.88 53.12 27.84 40.74 53.14 26.28 3 0 13.89-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 72 41.62 55.39 28.29 40.70 55.61 27.97 42.98 56.07 30.20 44.15 56.12 30.57 42.60 56.37 28.75 42.06 57.78 28.61 2 0 13.40-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 73 42.00 55.68 31.01 41.13 55.51 30.57 43.20 54.42 32.79 44.22 54.64 33.42 42.25 55.54 32.44 40.95 55.40 33.24 2 0 10.80-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 74 42.84 53.20 32.38 42.02 53.17 31.81 44.94 51.97 32.01 45.65 50.95 32.06 43.60 52.04 32.76 42.77 50.80 32.53 2 0 12.91-999 ?-999 ?-999 ? O3 GOL A 303 mMETA 75 45.29 53.07 31.35 44.64 53.82 31.46 47.33 54.35 31.08 48.41 54.66 30.56 46.49 53.19 30.54 46.06 53.47 29.11 2 0 15.83-999 ?-999 ?-999 ? O3 GOL A 303 mARG.A 76 46.80 55.00 32.12 45.91 54.65 32.41 48.90 55.72 33.07 49.84 56.46 32.76 47.47 56.11 32.79 46.75 56.46 34.09 2 0 14.99-999 ?-999 ?-999 ? O3 GOL A 303 mTRP.A 77 49.07 54.54 33.66 48.24 53.98 33.74 50.85 52.80 33.58 51.80 52.23 34.13 50.37 54.13 34.14 50.40 54.09 35.67 3 0 17.58-999 ?-999 ?-999 ? O3 GOL A 303 mHIS.A 78 50.23 52.30 32.52 49.44 52.82 32.18 50.80 50.99 30.42 51.81 50.56 29.85 50.74 51.04 31.94 50.07 49.79 32.53 3 0 19.51-999 ?-999 ?-999 ? O3 GOL A 303 mGLU.A 81 51.58 47.88 29.22 51.87 47.70 30.16 50.07 47.15 27.33 49.89 46.98 26.12 51.15 48.14 27.84 52.38 48.18 26.91 2 0 22.71-999 ?-999 ?-999 ? O3 GOL A 303 mASN.A 82 49.34 46.51 28.25 49.55 46.79 29.19 46.92 46.01 27.45 46.32 45.42 26.55 48.32 45.51 27.88 48.20 44.44 28.97 2 0 22.00-999 ?-999 ?-999 ? O3 GOL A 303 mVAL.A 83 46.40 47.07 28.08 46.94 47.36 28.87 43.85 46.88 27.68 42.99 47.11 28.52 45.15 47.73 27.65 45.34 48.38 26.28 3 0 18.89-999 ?-999 ?-999 ? O3 GOL A 303 mHIS~A 84 43.73 45.93 26.75 44.54 45.85 26.18 41.31 45.94 26.18 40.29 46.05 26.90 42.51 45.09 26.59 42.20 44.26 27.85 3 0 19.75-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 85 41.46 46.58 25.02 42.33 46.39 24.56 39.10 46.77 24.32 38.04 47.36 24.58 40.45 47.48 24.47 40.94 48.02 23.10 3 0 18.95-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~A 86 39.15 45.50 23.90 40.08 45.15 23.81 37.18 44.41 24.86 35.95 44.42 24.84 37.97 44.71 23.61-999.99-999.99-999.99 1 0 20.59-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 87 37.89 44.16 25.96 38.88 44.12 25.84 36.31 45.17 27.54 35.11 44.99 27.84 37.21 43.96 27.24 38.19 43.71 28.33 2 0 18.48-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 88 36.85 46.39 27.38 37.81 46.36 27.10 34.92 47.88 26.67 33.83 48.41 27.06 36.06 47.64 27.62 36.99 48.86 27.58 3 0 15.39-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 89 35.15 47.52 25.42 36.06 47.16 25.23 32.94 46.68 24.71 31.79 46.95 24.39 34.09 47.67 24.41 34.67 47.46 23.00 3 0 17.37-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 90 33.29 45.54 25.29 34.27 45.41 25.39 31.63 45.03 27.03 30.38 45.00 27.15 32.30 44.56 25.73 32.92 43.17 25.93 3 0 17.40-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 91 32.43 45.48 27.99 33.37 45.63 27.70 31.11 47.02 29.49 30.13 47.05 30.18 31.88 45.74 29.34 32.98 45.70 30.39 3 0 15.60-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~A 92 31.56 48.08 28.84 32.35 47.94 28.25 29.39 49.30 28.65 28.57 49.85 29.39 30.90 49.35 29.00 31.73 50.48 28.30 3 0 13.18-999 ?-999 ?-999 ? CL CL A 302 mPRO~A 93 29.01 48.65 27.54 29.73 48.24 26.97 26.76 47.81 28.33 25.62 48.18 28.60 27.56 48.60 27.29 27.45 47.89 25.94 3 0 11.00-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 94 27.36 46.74 28.90 28.26 46.51 28.53 26.64 46.83 31.24 25.63 46.82 31.90 26.70 46.00 29.97 27.40 44.67 30.26 3 0 12.28-999 ?-999 ?-999 ? CL CL A 302 mILE~A 95 27.72 47.55 31.55 28.50 47.47 30.93 26.71 49.55 32.61 26.14 49.99 33.60 27.72 48.39 32.72 29.13 48.85 33.09 3 0 11.52-999 ?-999 ?-999 ? O1 GOL A 303 mSER~A 96 26.47 50.02 31.40 26.97 49.55 30.67 24.14 50.68 31.51 23.28 51.51 31.77 25.54 51.12 31.19 25.61 51.65 29.75 2 0 8.07-999 ?-999 ?-999 ? CL CL A 302 mSER.A 97 23.93 49.36 31.52 24.74 48.83 31.27 22.69 47.93 33.16 21.90 47.00 33.34 22.63 48.76 31.86 22.18 47.85 30.72 2 0 8.32-999 ?-999 ?-999 ? CL CL A 302 mTRP.A 98 23.61 48.28 34.04 24.13 49.08 33.75 22.63 47.26 36.19 22.67 46.32 36.97 23.85 47.57 35.32 24.83 48.34 36.17 3 0 -11.38-999 ?-999 ?-999 ? CL CL A 302s mASP.A 99 21.56 48.04 36.03 21.63 48.69 35.27 19.19 47.35 36.19 18.09 47.34 36.74 20.40 47.96 36.90 20.05 49.36 37.43 2 0 11.29-999 ?-999 ?-999 ? CL CL A 302 mALA.A 100 19.38 46.84 34.98 20.31 46.96 34.64 17.70 44.90 34.89 16.53 44.57 34.64 18.28 46.16 34.24 18.67 45.89 32.81 2 0 11.12-999 ?-999 ?-999 ? CL CL A 302 mGLY.A 101 18.46 44.20 35.73 19.37 44.59 35.87 19.02 41.89 36.39 20.18 42.16 36.72 17.94 42.97 36.38-999.99-999.99-999.99 1 0 14.96-999 ?-999 ?-999 ? CL CL A 302 mGLY~A 102 18.67 40.66 36.04 17.70 40.53 35.87 20.42 39.71 34.60 20.31 40.68 33.85 19.67 39.61 35.92-999.99-999.99-999.99 1 0 17.68-999 ?-999 ?-999 ? CL CL A 302 mMETA 103 21.17 38.66 34.32 21.05 37.91 34.97 21.43 38.70 31.78 21.99 39.34 30.88 22.08 38.60 33.17 22.97 37.37 33.35 2 0 17.95-999 ?-999 ?-999 ? CL CL A 302 mVAL~A 104 20.25 38.10 31.60 19.94 37.55 32.38 18.92 39.64 30.20 18.93 40.20 29.12 19.51 38.25 30.35 18.45 37.15 30.15 3 0 17.63-999 ?-999 ?-999 ? CL CL A 302 mASP~A 105 18.44 40.21 31.29 18.41 39.61 32.09 19.10 42.60 30.98 18.82 43.60 30.32 18.01 41.60 31.31 17.37 41.95 32.64 2 0 14.49-999 ?-999 ?-999 ? CL CL A 302 mILE~A 106 20.33 42.35 31.42 20.45 41.47 31.87 21.74 43.36 29.74 21.82 44.41 29.09 21.39 43.35 31.21 22.66 43.01 32.01 3 0 12.85-999 ?-999 ?-999 ? CL CL A 302 mALA~A 107 21.92 42.15 29.21 21.72 41.39 29.83 21.36 42.63 26.85 21.80 43.37 25.96 22.35 41.97 27.83 22.52 40.45 27.52 2 0 14.20-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 108 20.05 42.36 27.04 19.88 41.70 27.77 18.93 44.49 26.33 18.74 45.16 25.33 18.97 42.97 26.25 17.56 42.40 26.63 2 0 13.12-999 ?-999 ?-999 ? CL CL A 302 mALA~A 109 19.08 45.03 27.54 19.23 44.37 28.28 20.27 47.12 27.14 20.20 48.23 26.63 19.03 46.48 27.74 18.94 46.79 29.25 2 0 9.41-999 ?-999 ?-999 ? CL CL A 302 mALA~A 110 21.40 46.42 27.23 21.30 45.56 27.74 22.56 46.92 25.09 22.94 47.88 24.45 22.67 46.89 26.63 23.86 46.01 27.07 2 0 9.77-999 ?-999 ?-999 ? CL CL A 302 mARG~A 111 21.98 45.88 24.51 21.76 45.12 25.13 20.81 47.08 22.70 21.05 47.77 21.71 21.72 45.90 23.07 21.08 44.60 22.62 2 0 11.72-999 ?-999 ?-999 ? CL CL A 302 mASN~A 112 19.75 47.28 23.48 19.65 46.60 24.21 19.53 49.77 23.41 19.37 50.64 22.56 18.84 48.40 23.28 17.65 48.28 24.23 2 0 9.30-999 ?-999 ?-999 ? CL CL A 302 mARG~A 113 20.34 49.95 24.45 20.35 49.22 25.14 22.10 51.31 23.37 22.34 52.41 22.90 21.13 51.15 24.54 21.86 51.26 25.89 2 0 -6.58-999 ?-999 ?-999 ? CL CL A 302s mLEU~A 114 22.66 50.20 22.89 22.38 49.37 23.37 22.92 50.77 20.47 23.51 51.55 19.70 23.59 50.26 21.74 24.22 48.87 21.50 3 0 9.95-999 ?-999 ?-999 ? CL CL A 302 mARG~A 115 21.68 50.32 20.26 21.36 49.66 20.93 20.51 52.25 19.28 20.26 52.92 18.29 20.87 50.76 19.14 19.56 49.97 19.04 2 0 11.06-999 ?-999 ?-999 ? CL CL A 302 mARG~A 116 20.45 52.78 20.50 20.66 52.16 21.25 21.30 55.10 20.71 21.17 56.28 21.03 20.07 54.19 20.64 19.19 54.42 21.88 2 0 8.41-999 ?-999 ?-999 ? CL CL A 302 mTHR.A 117 22.49 54.56 20.46 22.46 53.57 20.29 23.64 56.25 19.21 22.71 56.11 18.43 23.70 55.38 20.45 24.99 54.53 20.35 2 0 9.45-999 ?-999 ?-999 ? CL CL A 302 mASP~A 118 24.58 57.17 19.04 25.18 57.30 19.83 26.13 57.85 17.23 26.96 57.08 17.76 24.68 57.92 17.77 24.17 59.35 17.94 2 0 12.45-999 ?-999 ?-999 ? CL CL A 302 mPHE~A 119 26.43 58.63 16.19 25.70 59.28 15.96 28.87 58.98 16.32 30.00 58.51 16.17 27.71 58.52 15.47 27.71 59.25 14.10 3 0 15.98-999 ?-999 ?-999 ? CL CL A 302 mARG~A 120 28.60 59.88 17.26 27.66 60.22 17.27 30.12 59.17 19.05 31.30 59.13 19.41 29.62 60.31 18.18 29.12 61.44 19.05 2 0 15.44-999 ?-999 ?-999 ? CL CL A 302 mASP~A 121 29.26 58.20 19.35 28.32 58.35 19.03 30.70 56.18 19.29 31.70 55.68 19.81 29.72 57.02 20.10 28.55 56.15 20.53 2 0 13.58-999 ?-999 ?-999 ? CL CL A 302 mSER~A 122 30.40 56.03 18.01 29.50 56.40 17.77 32.67 56.06 16.98 33.68 55.38 16.99 31.31 55.39 17.06 30.66 55.42 15.69 2 0 16.76-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 123 32.65 57.39 16.92 31.72 57.77 16.94 34.71 58.08 18.09 35.93 57.91 18.00 33.85 58.21 16.82 33.46 59.69 16.55 3 0 18.95-999 ?-999 ?-999 ? CL CL A 302 mSER~A 124 34.08 58.18 19.26 33.12 58.46 19.20 35.33 56.48 20.54 36.47 56.27 20.91 34.76 57.90 20.52 33.80 58.03 21.68 2 0 17.59-999 ?-999 ?-999 ? CL CL A 302 mVAL~A 125 34.53 55.51 20.10 33.62 55.77 19.79 36.28 54.04 19.22 37.29 53.43 19.62 35.05 54.17 20.13 33.97 53.14 19.83 3 0 17.99-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 126 36.20 54.62 18.02 35.31 55.04 17.83 38.57 55.32 17.60 39.67 54.78 17.50 37.29 54.64 17.06 36.83 55.27 15.74 3 0 21.46-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 127 38.42 56.50 18.20 37.50 56.89 18.11 40.08 56.26 20.06 41.28 56.20 20.25 39.51 57.12 18.92 39.08 58.48 19.46 2 0 20.67-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 128 39.22 55.54 20.78 38.26 55.68 20.54 40.55 53.50 21.30 41.56 53.08 21.92 39.68 54.64 21.85 38.48 54.07 22.68 2 0 18.22-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 129 40.15 53.02 20.13 39.31 53.45 19.79 42.23 52.43 18.98 43.22 51.73 19.23 40.85 51.97 19.39 40.04 51.57 18.14 3 0 21.48-999 ?-999 ?-999 ? O3 GOL A 303 mARG~A 130 42.29 53.61 18.37 41.42 54.08 18.25 44.54 54.37 19.10 45.73 54.15 19.00 43.59 54.13 17.91 43.43 55.38 17.07 2 0 23.35-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 131 44.00 54.79 20.25 43.01 54.93 20.22 45.25 53.66 22.01 46.34 53.53 22.52 44.82 55.01 21.42 44.08 55.86 22.43 3 0 20.75-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 132 44.36 52.68 21.93 43.48 52.97 21.55 45.90 50.81 21.64 46.79 50.27 22.27 44.65 51.30 22.34 43.44 50.36 22.01 2 0 20.77-999 ?-999 ?-999 ? O3 GOL A 303 mASN~A 133 45.95 51.00 20.32 45.14 51.46 19.94 48.31 51.48 19.68 48.93 51.87 18.70 47.09 50.57 19.52 46.68 50.38 18.05 2 0 24.52-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 144 45.05 59.03 7.47 45.89 58.73 7.91 42.91 58.29 6.39 41.94 58.46 5.64 43.81 59.48 6.82 44.13 60.42 5.63 3 0 31.62-999 ?-999 ?-999 ? C7 PG4 B 301 mLYS~A 145 43.24 57.09 6.86 44.15 57.04 7.28 41.29 56.15 7.87 40.08 56.23 7.61 42.32 55.96 6.74 43.07 54.59 6.84 2 0 30.23-999 ?-999 ?-999 ? C7 PG4 B 301 mASP~A 146 41.81 56.30 9.10 42.78 56.10 9.16 40.21 57.99 9.95 39.03 58.10 10.30 41.00 56.72 10.26 41.88 56.92 11.49 2 0 28.51-999 ?-999 ?-999 ? CL CL A 302 mARG~A 147 40.87 58.93 9.27 41.82 58.69 9.07 39.07 60.01 7.92 38.04 60.66 8.08 40.26 60.20 8.87 41.31 61.07 8.19 2 0 29.21-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 148 39.24 59.14 6.94 40.14 58.71 6.92 37.05 58.01 6.58 35.88 58.22 6.27 38.19 58.83 5.98 38.79 58.17 4.74 2 0 29.75-999 ?-999 ?-999 ? CL CL A 302 mTHR~A 149 37.41 57.10 7.47 38.39 56.98 7.59 35.60 57.28 9.09 34.36 57.25 9.05 36.41 56.35 8.19 37.02 55.21 8.99 2 0 26.76-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 150 36.31 58.11 9.87 37.30 58.03 9.77 34.72 59.94 9.98 33.60 60.20 10.41 35.66 59.05 10.77 36.68 59.94 11.47 2 0 24.53-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 151 35.17 60.39 8.82 36.06 60.05 8.52 33.08 60.66 7.50 32.05 61.30 7.42 34.33 61.33 8.08 35.14 62.18 7.08 2 0 26.17-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 152 33.15 59.37 7.16 34.05 58.95 7.26 31.01 58.25 7.80 29.79 58.31 7.64 31.95 58.67 6.69 32.29 57.50 5.78 2 0 25.63-999 ?-999 ?-999 ? CL CL A 302 mILE~A 153 31.59 57.86 8.93 32.57 57.68 8.87 29.97 58.95 10.41 28.75 58.89 10.49 30.80 57.70 10.14 31.63 57.32 11.38 3 0 21.99-999 ?-999 ?-999 ? CL CL A 302 mALA~A 154 30.65 60.09 10.52 31.65 59.98 10.48 28.88 61.60 9.60 27.70 61.71 9.93 29.97 61.38 10.66 30.99 62.52 10.65 2 0 21.76-999 ?-999 ?-999 ? CL CL A 302 mGLN~A 155 29.28 61.61 8.32 30.26 61.40 8.21 27.11 61.05 7.17 26.02 61.58 7.00 28.38 61.90 7.20 29.12 61.74 5.86 2 0 24.22-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 156 27.26 59.73 7.33 28.21 59.44 7.51 25.47 58.55 8.58 24.55 57.71 8.69 26.14 58.80 7.24 26.58 57.46 6.63 2 0 22.84-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 157 25.96 59.26 9.60 26.72 59.86 9.34 25.34 57.69 11.39 24.27 57.16 11.72 25.44 59.16 10.96 24.10 59.90 11.06 2 0 19.18-999 ?-999 ?-999 ? CL CL A 302 mILE.A 158 26.49 57.04 11.37 27.30 57.59 11.15 26.82 55.41 13.13 27.94 55.64 13.62 26.54 55.62 11.66 27.54 54.85 10.76 3 0 18.62-999 ?-999 ?-999 ? CL CL A 302 mASN~A 159 25.78 54.98 13.84 24.93 54.82 13.33 26.74 53.51 15.56 27.16 52.78 14.66 25.92 54.78 15.25 24.56 54.85 15.93 2 0 15.12-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 160 27.00 53.25 16.82 26.49 53.80 17.49 27.39 50.86 16.80 28.11 49.94 16.45 27.97 52.23 17.14 28.32 52.30 18.61 3 0 14.94-999 ?-999 ?-999 ? CL CL A 302 mTYR~A 161 26.07 50.76 16.89 25.61 51.60 17.16 25.48 49.20 15.14 25.89 48.10 14.76 25.37 49.51 16.62 23.92 49.63 17.05 3 0 15.00-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 162 25.12 50.19 14.32 24.85 51.02 14.81 26.52 49.78 12.34 26.72 48.94 11.48 25.12 50.06 12.85 24.53 51.31 12.19 2 0 17.94-999 ?-999 ?-999 ? CL CL A 302 mTRP~A 163 27.49 50.48 12.89 27.19 51.18 13.54 29.20 48.77 12.76 29.64 48.08 11.84 28.88 50.24 12.55 29.78 51.12 13.42 3 0 19.66-999 ?-999 ?-999 ? CL CL A 302 mMETA 164 28.93 48.28 13.98 28.55 48.96 14.61 28.43 45.91 13.44 28.96 44.83 13.18 29.18 46.89 14.36 28.83 46.62 15.83 2 0 19.63-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 165 27.25 46.28 12.92 26.90 47.16 13.23 27.34 45.29 10.65 27.03 44.42 9.83 26.57 45.40 11.97 25.14 45.85 11.65 2 0 21.10-999 ?-999 ?-999 ? CL CL A 302 mMETA 166 28.32 46.14 10.41 28.49 46.82 11.13 30.44 45.35 9.29 31.20 45.27 8.34 29.08 46.04 9.16 29.24 47.41 8.53 2 0 24.02-999 ?-999 ?-999 ? CL CL A 302 mALA~A 167 30.75 44.88 10.48 30.07 45.05 11.19 32.01 42.78 10.07 30.97 42.19 9.86 32.00 44.18 10.71 32.28 44.11 12.21 2 0 24.97-999 ?-999 ?-999 ? CL CL A 302 mPRO~A 168 33.20 42.24 9.79 34.01 42.80 9.96 32.77 39.85 10.31 32.78 40.16 11.49 33.21 40.86 9.25 34.66 40.65 8.82 3 0 28.26-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 169 32.36 38.65 9.89 32.47 38.52 8.90 32.81 37.14 11.86 32.38 36.75 12.95 31.82 37.62 10.80 31.28 36.41 9.99 2 0 28.49-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 170 34.10 37.15 11.54 34.29 37.48 10.61 35.26 37.62 13.70 35.87 37.23 14.71 35.14 36.72 12.48 36.52 36.64 11.82 2 0 29.67-999 ?-999 ?-999 ? CL CL A 302 mASN~A 171 34.74 38.84 13.58 34.31 39.01 12.69 33.81 39.49 15.79 32.63 39.87 15.75 34.81 39.82 14.66 34.60 41.23 14.07 2 0 26.36-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 172 34.30 38.78 16.79 35.28 38.62 16.71 32.86 39.39 18.78 31.71 39.30 19.22 33.47 38.29 17.91 34.26 37.27 18.75 3 0 25.00-999 ?-999 ?-999 ? CL CL A 302 mILE~A 173 33.58 40.48 19.02 34.46 40.51 18.54 31.93 42.27 19.23 30.91 42.58 19.87 33.07 41.52 19.92 34.21 42.46 20.42 3 0 21.70-999 ?-999 ?-999 ? CL CL A 302 mALA~A 174 32.11 42.51 17.92 32.98 42.17 17.58 29.76 42.50 17.08 28.69 43.08 17.25 31.11 43.22 17.07 31.63 43.31 15.62 2 0 20.85-999 ?-999 ?-999 ? CL CL A 302 mARG~A 175 29.88 41.20 16.89 30.83 40.93 16.72 28.07 40.15 18.28 26.85 40.04 18.31 28.79 40.23 16.92 29.43 38.92 16.51 2 0 21.76-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 176 28.80 40.20 19.40 29.78 40.07 19.23 27.47 41.77 20.84 26.44 41.89 21.52 28.21 40.42 20.73 29.31 40.42 21.81 2 0 19.51-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 177 28.02 42.80 20.22 28.84 42.62 19.68 26.12 44.14 19.57 25.21 44.92 19.91 27.41 44.10 20.36 28.38 45.23 19.97 3 0 16.54-999 ?-999 ?-999 ? CL CL A 302 mVAL~A 178 26.02 43.29 18.55 26.79 42.66 18.45 23.75 42.28 18.02 22.61 42.53 17.76 24.87 43.30 17.67 25.29 43.18 16.17 3 0 17.65-999 ?-999 ?-999 ? CL CL A 302 mASP~A 179 24.10 41.14 18.62 25.04 41.11 18.95 22.78 39.83 20.20 22.41 38.73 20.53 23.15 40.06 18.76 23.73 38.74 18.21 2 0 19.09-999 ?-999 ?-999 ? CL CL A 302 mGLY~A 180 22.95 40.82 21.06 23.33 41.66 20.68 23.61 39.90 23.32 23.24 39.31 24.32 22.60 40.64 22.46-999.99-999.99-999.99 1 0 16.78-999 ?-999 ?-999 ? CL CL A 302 mPHE~A 181 24.88 39.90 22.96 25.07 40.32 22.07 25.71 37.79 24.06 25.86 37.28 25.16 25.88 39.31 23.85 25.92 40.06 25.21 3 0 18.43-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 182 25.42 37.07 22.98 25.38 37.61 22.14 26.39 34.80 23.60 26.20 33.88 24.38 25.19 35.62 23.07 24.67 35.08 21.75 2 0 21.79-999 ?-999 ?-999 ? CL CL A 302 mILE~A 183 27.60 35.12 23.19 27.64 35.85 22.50 28.94 34.68 25.27 29.18 33.76 26.03 28.76 34.43 23.76 30.03 34.77 22.97 3 0 23.89-999 ?-999 ?-999 ? CL CL A 302 mSER~A 184 28.75 35.91 25.71 28.49 36.57 25.01 27.94 35.53 28.02 28.31 35.08 29.10 28.92 36.25 27.10 28.80 37.78 27.27 2 0 21.83-999 ?-999 ?-999 ? CL CL A 302 mILE~A 185 26.69 35.47 27.58 26.57 35.97 26.72 25.88 33.25 28.39 25.72 32.68 29.46 25.60 34.75 28.26 24.23 34.95 27.53 3 0 21.97-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 186 26.32 32.65 27.29 26.36 33.26 26.50 27.88 31.00 28.20 27.91 30.01 28.94 26.70 31.23 27.26 27.04 30.78 25.81 2 0 25.70-999 ?-999 ?-999 ? CL CL A 302 mGLY~A 187 28.85 31.90 28.19 28.75 32.61 27.48 29.45 32.01 30.58 29.92 31.29 31.49 29.95 31.85 29.14-999.99-999.99-999.99 1 0 26.19-999 ?-999 ?-999 ? CL CL A 302 mALA~A 188 28.46 32.89 30.79 28.12 33.37 29.98 27.27 31.82 32.67 27.54 31.35 33.79 27.95 33.10 32.14 27.00 34.27 32.18 2 0 24.50-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 189 26.42 31.23 31.84 26.25 31.73 30.99 26.86 28.86 32.45 26.68 28.04 33.34 25.81 29.95 32.16 24.88 29.54 31.05 2 0 26.85-999 ?-999 ?-999 ? CL CL A 302 mPHE~A 190 27.98 28.86 31.71 28.01 29.57 31.01 29.56 28.03 33.39 29.63 27.04 34.14 29.03 27.89 31.95 30.14 28.12 30.92 3 0 29.70-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 191 29.92 29.26 33.76 29.81 29.93 33.03 29.44 29.24 36.19 29.81 28.60 37.19 30.43 29.60 35.10 30.76 31.09 35.21 3 0 28.74-999 ?-999 ?-999 ? O1 GOL A 303 mLEU~A 192 28.19 29.67 35.99 28.05 30.19 35.15 26.98 27.90 37.20 26.75 27.52 38.33 27.14 29.39 36.94 25.81 30.01 36.52 3 0 28.70-999 ?-999 ?-999 ? CL CL A 302 mSER~A 193 27.11 27.04 36.18 27.29 27.44 35.29 28.17 25.06 37.24 28.10 24.00 37.83 26.98 25.59 36.47 26.70 24.74 35.22 2 0 32.08-999 ?-999 ?-999 ? CL CL A 302 mPHE~A 194 29.24 25.85 37.27 29.11 26.74 36.83 30.50 25.73 39.41 30.68 24.81 40.21 30.47 25.43 37.92 31.66 26.11 37.27 3 0 32.67-999 ?-999 ?-999 ? O1 GOL A 303 mGLY~A 195 30.33 26.99 39.79 30.03 27.62 39.07 31.56 28.54 41.20 32.44 28.67 40.34 30.57 27.38 41.16-999.99-999.99-999.99 1 0 30.80-999 ?-999 ?-999 ? O1 GOL A 303 mASN~A 196 31.41 29.41 42.20 30.67 29.22 42.85 33.70 30.08 42.63 33.97 29.67 43.78 32.30 30.54 42.29 31.79 31.60 43.27 2 0 27.72-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 197 34.58 30.11 41.63 34.21 30.44 40.77 36.82 30.23 40.69 36.31 30.52 39.62 35.97 29.69 41.82 36.09 28.15 41.89 2 0 28.55-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~A 198 38.11 30.38 40.94 38.37 30.26 41.90 39.11 29.56 38.84 39.18 29.82 37.64 39.06 30.69 39.86-999.99-999.99-999.99 1 0 27.82-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 199 39.05 28.32 39.33 39.10 28.30 40.32 37.89 27.19 37.42 38.18 26.89 36.25 38.93 27.09 38.53 38.59 25.91 39.45 2 0 31.32-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 200 36.68 27.60 37.78 36.56 27.77 38.76 36.05 28.79 35.72 35.74 28.59 34.54 35.62 27.79 36.80 34.34 28.25 37.46 2 0 30.32-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~A 201 36.73 29.86 36.13 36.94 29.87 37.11 38.13 30.37 34.18 38.05 30.68 32.98 37.12 30.92 35.19 37.68 32.19 35.88 3 0 27.51-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~A 202 39.07 29.55 34.67 39.07 29.47 35.67 39.26 27.92 32.87 39.42 27.99 31.64 40.01 28.85 33.81 41.02 28.01 34.63 3 0 30.20-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 203 38.44 27.04 33.42 38.40 27.02 34.42 36.91 27.01 31.50 36.93 26.64 30.33 37.67 26.19 32.55 36.77 25.20 33.30 2 0 32.64-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 204 36.31 28.14 31.88 36.36 28.32 32.86 36.61 29.42 29.79 36.30 29.29 28.62 35.65 29.01 30.89 35.01 30.26 31.50 3 0 30.10-999 ?-999 ?-999 ? O3 GOL A 303 mTYR~A 205 37.78 29.89 30.17 37.94 29.87 31.16 39.09 29.35 28.17 39.08 29.63 26.96 38.74 30.40 29.22 39.99 30.93 29.94 3 0 29.61-999 ?-999 ?-999 ? O3 GOL A 303 mTYR~A 206 39.40 28.13 28.61 39.36 28.00 29.60 38.60 26.64 26.75 38.78 26.41 25.54 39.77 27.09 27.63 40.58 25.94 28.26 3 0 33.39-999 ?-999 ?-999 ? O3 GOL A 303 mHIS~A 207 37.41 26.60 27.34 37.43 26.69 28.34 36.06 27.45 25.46 35.79 27.08 24.31 36.19 26.43 26.59 35.02 26.59 27.52 3 0 33.92-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 208 36.19 28.75 25.78 36.39 28.95 26.74 37.21 29.65 23.73 37.01 29.74 22.51 36.04 29.76 24.73 35.90 31.17 25.31 3 0 31.18-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 209 38.41 29.40 24.25 38.44 29.37 25.25 39.34 28.04 22.37 39.72 28.17 21.19 39.56 29.18 23.39 40.83 28.95 24.25 3 0 33.16-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 210 38.72 26.94 22.77 38.46 26.92 23.74 37.28 26.07 20.83 37.04 25.24 19.95 38.46 25.86 21.78 38.44 24.43 22.37 2 0 36.20-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 211 36.56 27.16 20.97 36.94 27.86 21.57 35.38 28.40 19.23 34.78 28.33 18.17 35.30 27.28 20.26 34.19 27.55 21.29 2 0 33.77-999 ?-999 ?-999 ? CL CL A 302 mPHE~A 212 36.12 29.45 19.55 36.66 29.37 20.38 37.53 30.94 18.36 38.33 31.14 19.28 36.10 30.62 18.68 35.42 31.80 19.37 3 0 31.89-999 ?-999 ?-999 ? CL CL A 302 mPRO~A 213 37.88 30.91 17.07 37.18 30.54 16.45 39.26 32.88 16.94 38.28 33.60 16.75 39.20 31.38 16.61 39.19 31.14 15.10 3 0 33.74-999 ?-999 ?-999 ? CL CL A 302 mASP~A 214 40.38 33.31 17.50 41.09 32.62 17.57 40.88 35.61 16.79 41.94 35.44 16.15 40.54 34.69 17.97 41.66 34.75 19.02 2 0 31.81-999 ?-999 ?-999 ? CL CL A 302 mPRO~A 215 39.99 36.57 16.50 39.17 36.57 17.08 41.57 38.26 15.54 42.20 38.51 14.53 40.20 37.54 15.44 39.04 38.54 15.63 3 0 30.76-999 ?-999 ?-999 ? CL CL A 302 mLEU~A 216 42.05 38.52 16.75 41.43 38.29 17.49 44.49 38.20 16.44 45.46 38.61 15.76 43.39 39.13 16.90 43.65 39.47 18.36 3 0 30.43-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~A 217 44.37 36.93 16.81 43.61 36.74 17.44 45.17 35.82 14.75 46.17 35.77 14.04 45.30 35.92 16.29 45.09 34.58 16.99 3 0 33.53-999 ?-999 ?-999 ? O3 GOL A 303 mILE~A 218 43.92 35.78 14.24 43.19 35.83 14.92 44.51 36.77 12.08 45.28 36.49 11.15 43.70 35.68 12.79 42.18 35.81 12.38 3 0 35.41-999 ?-999 ?-999 ? CL CL A 302 mALA~A 219 44.38 38.00 12.58 43.84 38.06 13.42 46.51 39.14 12.02 47.17 39.66 11.15 44.99 39.15 11.92 44.42 40.45 12.51 2 0 34.65-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 220 47.06 38.58 13.09 46.41 38.18 13.73 49.18 37.34 12.62 50.17 37.47 11.90 48.52 38.57 13.27 48.90 38.64 14.76 2 0 35.26-999 ?-999 ?-999 ? O3 GOL A 303 mMETA 221 48.61 36.16 12.91 47.76 36.25 13.42 48.49 34.21 11.34 49.02 33.26 10.78 49.18 34.86 12.53 49.08 33.87 13.69 2 0 37.13-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~A 222 47.31 34.67 10.99 46.98 35.46 11.52 45.47 33.14 10.36 45.51 32.60 11.45 46.57 34.07 9.89-999.99-999.99-999.99 1 0 34.43-999 ?-999 ?-999 ? O5 PG4 B 301 mARG~A 223 44.50 32.95 9.48 44.65 33.39 8.60 43.68 30.77 10.20 43.16 30.30 11.20 43.33 32.17 9.76 42.43 32.14 8.50 2 0 34.63-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~A 224 44.57 30.10 9.48 44.98 30.61 8.73 45.60 28.54 11.17 45.39 27.53 11.84 44.90 28.72 9.81 45.67 28.05 8.68 2 0 36.32-999 ?-999 ?-999 ? O5 PG4 B 301 mTYR~A 225 46.38 29.53 11.60 46.48 30.30 10.97 45.98 29.68 14.02 45.96 28.97 15.02 47.01 29.44 12.91 48.19 30.43 13.03 3 0 39.02-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~A 226 45.10 30.65 13.83 45.29 31.23 13.03 43.07 29.55 14.89 42.70 29.16 15.99 43.96 30.83 14.74 43.13 32.04 14.33 2 0 37.66-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 227 42.75 28.91 13.77 43.11 29.33 12.94 42.67 26.60 14.56 42.07 25.78 15.26 41.93 27.68 13.80 41.62 27.18 12.39 2 0 39.06-999 ?-999 ?-999 ? CL CL A 302 mLYS~A 228 43.99 26.64 14.46 44.36 27.42 13.94 44.81 25.70 16.58 44.95 24.69 17.25 44.81 25.61 15.06 46.24 25.65 14.52 2 0 41.62-999 ?-999 ?-999 ? O3 GOL A 303 mILE~A 229 44.66 26.91 17.10 44.63 27.64 16.42 43.33 26.47 19.09 43.39 25.85 20.14 44.54 27.16 18.54 44.43 28.68 18.85 3 0 38.40-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~A 230 42.21 26.58 18.39 42.26 27.12 17.54 41.29 24.43 19.02 40.94 23.85 20.04 41.01 25.93 18.87 39.80 26.21 18.02 2 0 38.21-999 ?-999 ?-999 ? CL CL A 302 mGLU~A 231 42.00 23.84 18.06 42.29 24.46 17.33 43.27 22.03 19.22 43.15 20.95 19.83 42.29 22.40 18.11 42.76 21.86 16.76 2 0 41.91-999 ?-999 ?-999 ? CL CL A 302 mTRP~A 232 44.24 22.92 19.45 44.24 23.73 18.86 44.55 22.91 21.84 44.77 22.15 22.79 45.22 22.68 20.52 46.44 23.60 20.41 3 0 41.35-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 233 43.70 23.94 21.90 43.62 24.49 21.06 42.12 23.02 23.52 42.12 22.65 24.68 42.96 24.22 23.13 42.09 25.51 23.04 2 0 38.33-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 234 41.41 22.40 22.58 41.58 22.71 21.64 41.22 20.10 23.43 40.66 19.23 24.05 40.47 21.34 22.97 39.44 21.01 21.88 2 0 40.46-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 235 42.51 20.04 23.14 42.87 20.83 22.64 44.18 19.23 24.70 44.86 18.35 25.24 43.28 18.89 23.53 44.05 18.30 22.33 2 0 43.02-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 236 44.17 20.50 25.11 43.64 21.12 24.55 44.03 20.80 27.56 43.28 21.75 27.88 44.92 20.89 26.31 45.54 22.28 26.17 2 0 40.68-999 ?-999 ?-999 ? O3 GOL A 303 mARG~A 237 44.14 19.67 28.27 44.92 19.12 27.99 43.87 19.31 30.74 43.24 19.74 31.71 43.22 19.28 29.34 42.65 17.87 29.05 2 0 40.94-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~A 238 45.11 18.83 30.83 45.47 18.44 29.98 46.48 20.26 32.25 46.50 21.05 31.31 45.86 18.88 32.08 47.01 17.82 32.14 2 0 41.46-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 239 47.00 20.51 33.44 46.88 19.79 34.12 48.99 21.85 32.90 49.34 22.92 32.39 47.71 21.76 33.73 48.01 21.89 35.22 2 0 39.12-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 240 49.69 20.72 32.77 49.29 19.93 33.24 50.65 20.98 30.53 51.31 21.84 29.93 50.92 20.68 32.00 51.63 19.33 32.15 2 0 41.59-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 241 49.66 20.29 29.96 49.23 19.61 30.55 48.92 22.00 28.37 49.25 22.58 27.33 49.26 20.53 28.58 48.09 19.64 28.18 2 0 41.78-999 ?-999 ?-999 ? O3 GOL A 303 mARG~A 242 48.31 22.62 29.37 48.15 22.05 30.17 49.07 25.05 29.31 49.03 26.09 28.63 47.91 24.03 29.26 46.81 24.35 30.29 2 0 37.97-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 243 50.11 24.75 30.08 50.01 23.90 30.61 52.04 25.53 28.80 52.41 26.56 28.22 51.27 25.62 30.12 52.16 25.24 31.28 2 0 37.78-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 244 52.25 24.30 28.33 51.99 23.58 28.97 52.22 25.02 26.03 52.92 25.84 25.45 52.81 24.05 27.02 52.44 22.64 26.58 2 0 40.63-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 245 50.90 24.95 25.88 50.45 24.28 26.47 50.45 27.24 25.21 50.81 27.98 24.30 50.18 25.78 24.94 48.68 25.49 24.97 3 0 38.68-999 ?-999 ?-999 ? O3 GOL A 303 mASP~A 246 50.33 27.66 26.47 50.10 26.95 27.13 51.86 29.50 26.31 51.99 30.55 25.66 50.51 29.06 26.79 50.37 29.29 28.30 2 0 35.47-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~A 247 52.86 28.67 26.58 52.60 27.84 27.07 54.47 28.94 24.68 55.40 29.60 24.18 54.23 28.98 26.19 55.22 28.07 26.91 2 0 37.63-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 248 53.66 28.17 23.96 52.99 27.64 24.48 53.24 29.42 21.89 53.87 30.03 21.03 53.79 28.13 22.50 53.11 26.92 21.89 2 0 39.43-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 249 52.06 29.80 22.37 51.65 29.12 22.99 52.32 32.27 22.32 52.41 33.19 21.50 51.41 31.06 22.05 50.11 31.16 22.85 3 0 36.25-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 250 53.01 32.24 23.46 52.79 31.47 24.06 55.21 33.27 22.84 55.49 34.29 22.21 54.00 33.26 23.78 54.45 33.15 25.24 3 0 35.25-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~A 251 55.92 32.15 22.72 55.61 31.39 23.30 56.65 32.50 20.39 57.40 33.15 19.67 57.07 32.10 21.81 57.74 30.72 21.82 2 0 38.70-999 ?-999 ?-999 ? O3 GOL A 303 mASP~A 252 55.42 32.15 20.01 54.91 31.61 20.68 54.47 34.01 18.60 54.35 34.52 17.48 54.89 32.55 18.71 53.75 31.64 18.29 2 0 38.64-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~A 253 54.25 34.68 19.73 54.47 34.16 20.56 52.23 36.12 19.46 51.70 37.13 19.00 53.74 36.07 19.74-999.99-999.99-999.99 1 0 35.20-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 254 51.55 35.01 19.75 52.10 34.28 20.15 49.32 35.04 20.79 49.29 34.10 21.56 50.11 34.91 19.49 49.81 33.56 18.84 2 0 34.20-999 ?-999 ?-999 ? O3 GOL A 303 mASN~A 255 48.69 36.18 21.03 48.78 36.87 20.32 46.43 36.35 21.96 45.97 37.21 21.23 47.91 36.34 22.25 48.29 37.64 22.97 2 0 30.66-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~A 256 45.67 35.41 22.52 46.16 34.77 23.10 43.43 36.34 23.10 42.58 35.93 23.90 44.22 35.35 22.26 43.83 33.94 22.67 3 0 29.89-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~A 257 43.68 37.63 22.89 44.33 37.80 22.14 41.55 38.72 23.73 40.96 39.04 24.75 43.06 38.70 23.67-999.99-999.99-999.99 1 0 26.18-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~A 258 40.90 38.35 22.63 41.49 38.01 21.89 38.81 37.38 23.41 37.72 37.61 23.96 39.45 38.43 22.53 38.99 38.21 21.09 2 0 26.04-999 ?-999 ?-999 ? O3 GOL A 303 mILE~A 259 39.46 36.23 23.53 40.32 36.17 23.03 38.94 35.57 25.81 37.93 35.39 26.51 38.96 35.15 24.34 39.75 33.84 24.09 3 0 27.51-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 260 40.04 36.15 26.26 40.81 36.15 25.62 39.07 37.88 27.74 38.40 37.98 28.79 40.10 36.73 27.59 41.51 37.22 27.89 2 0 24.83-999 ?-999 ?-999 ? O3 GOL A 303 mASP~A 261 38.94 38.72 26.72 39.61 38.58 25.99 36.52 39.12 27.01 35.81 39.58 27.91 37.88 39.74 26.71 37.84 40.53 25.38 2 0 22.25-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~A 262 36.17 38.03 26.29 36.88 37.71 25.66 34.74 36.67 27.75 33.63 36.47 28.27 34.87 37.39 26.42 34.64 36.41 25.27 3 0 24.05-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~A 263 35.86 36.26 28.31 36.70 36.45 27.79 35.39 36.65 30.66 34.62 36.36 31.57 35.81 35.61 29.60 37.17 34.99 29.88 2 0 24.28-999 ?-999 ?-999 ? O3 GOL A 303 mALA~A 264 35.86 37.87 30.49 36.42 37.98 29.67 34.14 39.37 31.32 33.52 39.63 32.34 35.57 38.94 31.42 36.51 40.15 31.17 2 0 20.50-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 265 33.61 39.49 30.12 34.21 39.27 29.35 31.28 38.86 30.57 30.25 39.19 31.16 32.23 39.94 30.00 31.89 40.31 28.56 2 0 20.14-999 ?-999 ?-999 ? O3 GOL A 303 mSER~A 266 31.64 37.58 30.37 32.45 37.47 29.79 30.91 36.46 32.49 29.89 36.13 33.08 30.91 36.44 30.94 31.52 35.10 30.49 2 0 22.63-999 ?-999 ?-999 ? CL CL A 302 mILE~A 267 32.06 36.79 33.10 32.83 36.93 32.49 31.22 38.02 35.02 30.49 37.82 35.97 32.17 36.93 34.54 33.63 37.28 35.01 3 0 21.55-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~A 268 31.23 39.16 34.34 31.88 39.21 33.59 28.88 39.79 34.68 28.16 40.03 35.62 30.33 40.24 34.69 30.51 41.51 33.85 3 0 18.35-999 ?-999 ?-999 ? O1 GOL A 303 mLEU~A 269 28.43 39.15 33.61 29.09 39.08 32.86 26.78 37.62 34.71 25.74 37.69 35.38 27.05 38.63 33.61 26.65 38.08 32.24 3 0 19.40-999 ?-999 ?-999 ? CL CL A 302 mALA~A 270 27.72 36.70 34.95 28.54 36.77 34.39 27.34 36.29 37.38 26.52 35.82 38.21 27.48 35.67 35.97 28.58 34.59 35.94 2 0 22.62-999 ?-999 ?-999 ? O1 GOL A 303 mLEU~A 271 28.16 37.33 37.62 28.80 37.51 36.87 26.76 38.77 39.08 26.20 38.74 40.19 28.11 38.12 38.88 29.17 39.22 38.89 3 0 19.96-999 ?-999 ?-999 ? O1 GOL A 303 mALA~A 272 26.24 39.36 38.01 26.77 39.29 37.16 23.87 39.05 38.31 22.90 39.36 38.98 24.98 40.04 38.12 24.71 40.90 36.91 2 0 18.48-999 ?-999 ?-999 ? O1 GOL A 303 mGLU~A 273 24.01 37.86 37.74 24.88 37.74 37.25 22.90 36.26 39.27 21.83 36.00 39.81 22.96 36.84 37.84 23.18 35.74 36.79 2 0 21.29-999 ?-999 ?-999 ? CL CL A 302 mGLY~A 274 24.07 36.08 39.87 24.85 36.34 39.30 25.00 34.29 41.09 24.45 33.25 40.77 24.19 35.55 41.22-999.99-999.99-999.99 1 0 23.14-999 ?-999 ?-999 ? O1 GOL A 303 mTRP~A 275 26.30 34.39 41.30 26.58 35.31 41.57 27.71 32.84 42.54 28.61 33.42 43.13 27.24 33.28 41.15 28.38 33.70 40.21 3 0 24.95-999 ?-999 ?-999 ? O1 GOL A 303 mARG~A 276 27.08 31.79 43.08 26.49 31.30 42.43 28.03 30.14 44.52 27.43 29.10 44.19 27.24 31.42 44.49 25.88 31.17 45.18 2 0 27.28-999 ?-999 ?-999 ? O1 GOL A 303 mGLU~B 41 50.21 36.05 -17.80 50.42 36.65 -17.04 48.69 34.28 -18.61 47.68 34.31 -19.31 49.90 35.14 -18.95 51.09 34.29 -19.32 2 0 14.25-999 ?-999 ?-999 ? O5 PG4 B 301 mHIS~B 42 48.80 33.53 -17.52 49.72 33.48 -17.13 46.65 33.93 -16.53 45.45 33.77 -16.72 47.64 32.86 -16.95 48.04 31.98 -15.77 3 0 15.44-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 43 47.16 35.03 -15.98 48.16 35.02 -15.90 45.68 36.85 -16.75 44.49 37.17 -16.70 46.32 36.14 -15.55 47.13 37.12 -14.70 3 0 12.81-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 44 46.45 37.09 -17.81 47.42 36.87 -17.69 44.74 36.73 -19.46 43.57 37.15 -19.43 45.88 37.63 -19.04 46.92 37.74 -20.15 3 0 10.00-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 45 45.07 35.47 -19.78 46.06 35.30 -19.76 42.87 34.44 -19.21 41.73 34.34 -19.67 44.08 34.45 -20.14 44.73 33.07 -20.19 2 0 11.95-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 46 43.12 34.56 -17.91 44.10 34.60 -17.69 41.15 35.87 -17.03 39.94 35.78 -16.81 42.06 34.63 -16.90 42.67 34.56 -15.48 2 0 12.36-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 47 41.72 37.02 -17.37 42.70 36.96 -17.56 40.10 38.22 -18.71 38.89 38.49 -18.66 40.93 38.24 -17.43 41.83 39.47 -17.40 2 0 8.86-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 48 40.75 37.89 -19.83 41.71 37.64 -19.67 38.68 37.39 -21.20 37.89 37.87 -22.02 40.13 37.89 -21.15 41.00 37.14 -22.15 2 0 8.05-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 49 38.31 36.46 -20.33 39.04 36.13 -19.73 35.92 37.05 -19.96 34.74 36.94 -20.27 36.93 35.97 -20.30-999.99-999.99-999.99 1 0 10.81-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 50 36.38 38.10 -19.30 37.36 38.07 -19.14 35.40 40.26 -19.94 34.65 41.24 -19.79 35.51 39.19 -18.86 36.06 39.78 -17.58 2 0 9.17-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 51 36.14 40.09 -21.03 36.65 39.22 -21.05 34.81 41.61 -22.49 34.63 42.81 -22.56 36.19 41.09 -22.09 36.97 40.58 -23.31 3 0 6.75-999 ?-999 ?-999 ? O5 PG4 B 301 mPRO~B 52 33.83 40.71 -22.74 34.03 39.74 -22.65 31.91 42.14 -22.02 31.23 43.12 -22.33 32.53 41.28 -23.12 31.64 40.05 -23.36 3 0 8.91-999 ?-999 ?-999 ? O4 PG4 B 301 mALA~B 53 32.14 41.77 -20.76 32.61 40.90 -20.66 32.40 43.99 -19.71 31.77 45.00 -19.45 31.74 42.60 -19.63 32.07 41.91 -18.29 2 0 9.26-999 ?-999 ?-999 ? O4 PG4 B 301 mPHE~B 54 33.68 44.00 -20.06 34.10 43.10 -20.15 33.77 46.09 -21.39 33.53 47.28 -21.17 34.40 45.26 -20.31 35.87 45.01 -20.61 3 0 5.61-999 ?-999 ?-999 ? O4 PG4 B 301 mLEU~B 55 33.47 45.47 -22.54 33.74 44.51 -22.59 31.44 46.73 -23.13 31.07 47.89 -23.38 32.78 46.19 -23.63 32.58 45.31 -24.87 3 0 5.34-999 ?-999 ?-999 ? C5 PG4 B 301 mGLU~B 56 30.71 45.91 -22.39 31.10 45.00 -22.23 29.58 47.59 -20.93 28.83 48.55 -21.05 29.45 46.39 -21.88 28.64 45.27 -21.23 2 0 8.38-999 ?-999 ?-999 ? C5 PG4 B 301 mVAL~B 57 30.52 47.54 -19.99 31.05 46.70 -19.98 31.16 49.96 -19.80 30.79 51.09 -19.39 30.72 48.66 -19.08 31.72 48.26 -17.97 3 0 7.98-999 ?-999 ?-999 ? C5 PG4 B 301 mALA~B 58 31.95 49.80 -20.87 32.20 48.86 -21.08 31.23 51.69 -22.27 31.28 52.92 -22.49 32.41 50.95 -21.67 33.47 50.53 -22.80 2 0 5.24-999 ?-999 ?-999 ? C5 PG4 B 301 mGLU~B 59 30.16 50.98 -22.56 30.21 49.99 -22.43 27.97 52.07 -22.03 27.40 53.14 -22.12 29.00 51.71 -23.06 28.36 51.06 -24.29 2 0 7.68-999 ?-999 ?-999 ? C4 PG4 B 301 mLYS~B 60 27.75 51.19 -21.07 28.34 50.39 -21.08 27.13 52.27 -18.89 26.32 53.02 -18.41 26.73 51.40 -20.08 26.14 50.04 -19.68 2 0 11.04-999 ?-999 ?-999 ? C5 PG4 B 301 mARG~B 61 28.37 52.14 -18.40 28.85 51.36 -18.80 28.46 52.82 -16.00 28.58 53.72 -15.16 28.99 53.03 -17.40 28.87 54.53 -17.76 2 0 10.88-999 ?-999 ?-999 ? C5 PG4 B 301 mILE~B 62 27.88 51.68 -15.71 27.81 51.03 -16.47 28.42 50.57 -13.63 28.67 49.43 -14.06 27.41 51.45 -14.34 26.01 50.81 -14.32 3 0 13.69-999 ?-999 ?-999 ? C5 PG4 B 301 mILE~B 63 29.04 51.11 -12.57 28.66 51.98 -12.25 29.77 49.06 -11.36 30.26 48.03 -11.76 30.19 50.42 -11.97 30.91 51.28 -10.91 3 0 13.84-999 ?-999 ?-999 ? C5 PG4 B 301 mGLY~B 64 28.88 49.07 -10.37 28.55 49.99 -10.13 27.98 46.71 -10.59 28.57 45.63 -10.51 28.43 47.86 -9.69-999.99-999.99-999.99 1 0 16.64-999 ?-999 ?-999 ? C7 PG4 B 301 mGLU~B 65 26.96 46.91 -11.42 26.54 47.81 -11.34 27.69 45.43 -13.29 27.79 44.27 -13.73 26.53 45.87 -12.38 25.35 46.34 -13.24 2 0 16.04-999 ?-999 ?-999 ? C5 PG4 B 301 mGLY~B 66 28.59 46.38 -13.56 28.35 47.29 -13.23 30.67 45.04 -13.56 31.09 44.03 -14.14 29.82 46.07 -14.27-999.99-999.99-999.99 1 0 12.49-999 ?-999 ?-999 ? O4 PG4 B 301 mVAL~B 67 30.93 45.28 -12.28 30.54 46.14 -11.94 31.04 42.98 -11.40 31.68 41.92 -11.59 31.74 44.35 -11.49 32.06 44.95 -10.08 3 0 13.60-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 68 29.74 43.02 -11.15 29.37 43.94 -11.07 28.88 40.98 -12.30 29.03 39.76 -12.29 28.93 41.82 -10.99 27.53 42.21 -10.51 3 0 16.43-999 ?-999 ?-999 ? C7 PG4 B 301 mARG~B 69 28.68 41.67 -13.42 28.53 42.65 -13.29 30.07 40.50 -15.06 30.23 39.41 -15.60 28.68 41.03 -14.72 28.19 42.04 -15.73 2 0 14.63-999 ?-999 ?-999 ? O4 PG4 B 301 mALA~B 70 31.11 41.24 -14.72 30.91 42.13 -14.31 32.71 39.43 -14.15 33.38 38.51 -14.60 32.45 40.72 -14.97 33.50 41.77 -14.70 2 0 12.17-999 ?-999 ?-999 ? O5 PG4 B 301 mVAL~B 71 32.20 39.38 -12.94 31.62 40.15 -12.67 31.74 37.01 -12.60 32.33 35.93 -12.69 32.49 38.26 -12.10 32.15 38.57 -10.62 3 0 15.08-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 72 30.47 37.19 -12.97 30.13 38.13 -12.86 30.20 35.55 -14.81 30.32 34.34 -14.97 29.66 36.10 -13.48 28.20 36.52 -13.58 2 0 17.18-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 73 30.57 36.44 -15.73 30.39 37.39 -15.45 32.54 35.41 -16.97 32.93 34.74 -17.92 31.16 36.08 -17.02 31.25 37.32 -17.91 2 0 14.71-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 74 33.30 35.65 -15.91 32.89 36.26 -15.23 34.51 33.62 -15.23 35.48 32.86 -15.27 34.62 35.06 -15.76 35.48 35.91 -14.84 2 0 13.99-999 ?-999 ?-999 ? O5 PG4 B 301 mMETB 75 33.32 33.26 -14.75 32.61 33.95 -14.89 32.66 30.82 -15.02 32.90 29.65 -14.71 33.07 31.96 -14.10 32.00 32.11 -13.02 2 0 17.82-999 ?-999 ?-999 ? O5 PG4 B 301 mARG~B 76 32.02 31.18 -16.13 31.84 32.16 -16.18 32.74 29.27 -17.54 33.85 29.70 -17.86 31.61 30.24 -17.17 31.14 31.02 -18.41 2 0 18.83-999 ?-999 ?-999 ? O5 PG4 B 301 mTRP~B 77 32.44 27.98 -17.48 31.50 27.80 -17.20 34.72 27.04 -17.02 34.76 27.60 -15.92 33.41 26.92 -17.81 33.67 26.87 -19.32 3 0 20.81-999 ?-999 ?-999 ? O5 PG4 B 301 mVAL~B 83 42.46 37.28 -6.57 43.21 36.63 -6.45 41.04 38.48 -8.23 41.25 39.59 -8.76 41.36 38.23 -6.76 41.62 39.53 -6.03 3 0 17.02-999 ?-999 ?-999 ? O5 PG4 B 301 mHIS~B 84 40.53 37.45 -8.91 40.79 36.54 -8.59 38.80 38.94 -9.69 38.63 39.84 -10.51 39.64 37.69 -10.04 38.73 36.51 -10.26 3 0 14.52-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 85 38.32 39.00 -8.45 38.68 38.30 -7.83 37.97 41.37 -7.86 37.42 42.40 -8.29 37.34 39.99 -8.03 36.70 39.56 -6.72 3 0 15.55-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 86 39.12 41.38 -7.22 39.41 40.49 -6.87 40.21 43.22 -8.35 40.05 44.44 -8.50 39.88 42.58 -7.04-999.99-999.99-999.99 1 0 15.33-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 87 40.66 42.43 -9.32 40.75 41.46 -9.08 39.77 43.72 -11.20 39.91 44.81 -11.74 40.98 43.02 -10.62 41.55 41.99 -11.60 2 0 11.70-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 88 38.59 43.12 -11.09 38.60 42.27 -10.57 36.96 44.97 -10.97 36.55 45.96 -11.59 37.39 43.72 -11.71 36.24 42.72 -11.75 3 0 11.08-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 89 37.09 44.95 -9.65 37.45 44.11 -9.26 37.59 47.34 -9.26 37.04 48.43 -9.32 36.73 46.12 -8.89 36.75 45.81 -7.39 3 0 13.67-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 90 38.90 47.13 -9.51 39.19 46.20 -9.28 39.62 48.55 -11.51 39.70 49.74 -11.85 39.84 48.13 -10.06 41.30 47.64 -10.00 3 0 12.15-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 91 39.40 47.57 -12.38 39.32 46.66 -11.97 38.01 48.52 -14.21 38.04 49.41 -15.05 39.29 47.85 -13.81 39.50 46.60 -14.63 3 0 8.39-999 ?-999 ?-999 ? C7 PG4 B 301 mVAL~B 92 36.89 48.10 -13.62 37.03 47.47 -12.85 35.42 50.14 -14.11 35.12 50.71 -15.14 35.57 48.56 -14.10 34.41 47.78 -13.38 3 0 9.00-999 ?-999 ?-999 ? C7 PG4 B 301 mPRO~B 93 35.68 50.82 -12.96 35.87 50.25 -12.16 36.58 52.90 -14.00 36.10 53.79 -14.73 35.68 52.26 -12.91 36.21 52.55 -11.49 3 0 10.99-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 94 37.85 52.45 -14.10 38.14 51.81 -13.38 38.10 52.66 -16.55 38.07 53.59 -17.36 38.72 52.87 -15.18 40.11 52.18 -15.13 3 0 8.73-999 ?-999 ?-999 ? C7 PG4 B 301 mILE~B 95 37.55 51.47 -16.79 37.55 50.84 -16.02 35.78 51.97 -18.42 35.54 52.29 -19.59 37.01 51.13 -18.10 36.78 49.58 -18.27 3 0 5.83-999 ?-999 ?-999 ? C6 PG4 B 301 mSER~B 96 35.03 52.36 -17.39 35.37 52.08 -16.49 34.17 54.56 -17.91 33.33 55.37 -18.31 33.80 53.13 -17.58 32.89 53.06 -16.33 2 0 8.00-999 ?-999 ?-999 ? C5 PG4 B 301 mSER~B 97 35.47 54.87 -17.76 36.01 54.12 -17.38 37.06 56.06 -19.24 37.90 56.94 -19.38 36.01 56.19 -18.13 36.69 56.87 -16.93 2 0 8.91-999 ?-999 ?-999 ? C5 PG4 B 301 mTRP~B 98 37.01 54.95 -19.98 36.29 54.31 -19.70 38.21 55.85 -22.02 39.30 55.93 -22.56 37.93 54.67 -21.08 37.42 53.52 -21.94 3 0 5.81-999 ?-999 ?-999 ? O3 PG4 B 301 mASP~B 99 37.22 56.74 -22.22 36.42 56.60 -21.65 37.64 59.18 -22.62 37.49 60.19 -23.29 37.33 57.81 -23.21 36.06 57.92 -24.05 2 0 7.45-999 ?-999 ?-999 ? O3 PG4 B 301 mALA~B 100 38.08 59.21 -21.36 38.21 58.31 -20.94 39.58 61.12 -21.21 39.76 62.32 -21.08 38.32 60.48 -20.69 38.40 60.30 -19.16 2 0 10.90-999 ?-999 ?-999 ? O3 PG4 B 301 mGLY~B 101 40.45 60.33 -21.83 40.18 59.37 -21.87 42.88 60.09 -21.91 42.96 58.86 -22.04 41.67 60.86 -22.41-999.99-999.99-999.99 1 0 11.66-999 ?-999 ?-999 ? O3 PG4 B 301 mGLY~B 102 43.84 60.83 -21.36 43.68 61.81 -21.37 44.82 59.51 -19.47 43.74 59.46 -18.88 45.02 60.21 -20.80-999.99-999.99-999.99 1 0 13.04-999 ?-999 ?-999 ? C6 PG4 B 301 mMETB 103 45.91 58.98 -18.97 46.74 59.18 -19.49 45.45 58.93 -16.52 44.70 58.40 -15.70 45.87 58.16 -17.77 47.20 57.46 -17.63 2 0 12.95-999 ?-999 ?-999 ? C6 PG4 B 301 mVAL~B 104 45.88 60.19 -16.43 46.50 60.47 -17.16 44.01 61.40 -15.49 43.26 61.28 -14.52 45.48 61.06 -15.35 46.38 62.34 -15.27 3 0 15.97-999 ?-999 ?-999 ? C6 PG4 B 301 mASP~B 105 43.57 61.77 -16.69 44.28 61.85 -17.39 41.26 60.82 -16.63 40.17 60.95 -16.07 42.14 62.04 -16.91 41.88 62.54 -18.32 2 0 14.79-999 ?-999 ?-999 ? C6 PG4 B 301 mILE~B 106 41.72 59.63 -17.04 42.60 59.65 -17.53 40.78 58.16 -15.28 39.67 57.90 -14.81 40.94 58.42 -16.77 41.50 57.19 -17.48 3 0 11.59-999 ?-999 ?-999 ? C6 PG4 B 301 mALA~B 107 41.88 58.24 -14.53 42.72 58.47 -15.03 40.86 58.98 -12.35 40.11 58.61 -11.43 41.80 58.00 -13.07 43.23 58.10 -12.45 2 0 13.95-999 ?-999 ?-999 ? C7 PG4 B 301 mGLU~B 108 40.96 60.25 -12.72 41.62 60.41 -13.46 38.69 61.20 -12.53 37.80 61.33 -11.69 40.16 61.31 -12.11 40.76 62.67 -12.48 2 0 16.61-999 ?-999 ?-999 ? C6 PG4 B 301 mALA~B 109 38.42 60.92 -13.81 39.22 60.90 -14.41 36.48 59.50 -13.51 35.28 59.47 -13.24 37.06 60.67 -14.25 36.96 60.44 -15.78 2 0 14.66-999 ?-999 ?-999 ? C6 PG4 B 301 mALA~B 110 37.31 58.50 -13.19 38.28 58.67 -13.40 36.50 57.54 -11.10 35.48 57.11 -10.56 36.78 57.27 -12.58 37.71 56.12 -12.75 2 0 13.56-999 ?-999 ?-999 ? C6 PG4 B 301 mARG~B 111 37.39 58.29 -10.47 38.21 58.50 -10.99 35.76 59.47 -9.02 34.97 59.19 -8.10 37.12 58.74 -9.11 38.23 59.65 -8.61 2 0 17.22-999 ?-999 ?-999 ? C6 PG4 B 301 mASN~B 112 35.52 60.40 -9.95 36.30 60.57 -10.56 33.04 60.20 -10.27 32.03 60.36 -9.61 34.23 61.11 -10.05 34.27 62.21 -11.13 2 0 18.31-999 ?-999 ?-999 ? C6 PG4 B 301 mARG~B 113 33.16 59.22 -11.16 34.03 59.21 -11.65 31.80 57.47 -10.12 30.65 57.22 -9.79 32.06 58.26 -11.38 32.36 57.27 -12.51 2 0 16.09-999 ?-999 ?-999 ? C5 PG4 B 301 mLEU~B 114 32.87 57.08 -9.44 33.74 57.29 -9.87 31.94 57.27 -7.18 31.02 56.78 -6.53 32.73 56.40 -8.14 34.10 56.01 -7.55 3 0 17.79-999 ?-999 ?-999 ? C6 PG4 B 301 mARG~B 115 32.25 58.57 -7.13 32.98 58.85 -7.76 30.06 59.61 -6.56 29.24 59.88 -5.68 31.56 59.47 -6.20 32.20 60.87 -6.14 2 0 21.09-999 ?-999 ?-999 ? C5 PG4 B 301 mARG~B 116 29.71 59.44 -7.84 30.45 59.18 -8.45 27.53 58.33 -8.21 26.40 58.22 -8.64 28.30 59.65 -8.23 28.20 60.31 -9.59 2 0 20.62-999 ?-999 ?-999 ? C5 PG4 B 301 mTHR~B 117 28.20 57.33 -7.71 29.15 57.54 -7.47 26.45 56.11 -6.46 26.36 57.09 -5.73 27.60 56.04 -7.53 28.76 55.10 -7.20 2 0 20.02-999 ?-999 ?-999 ? C5 PG4 B 301 mASP~B 118 25.55 55.12 -6.41 25.60 54.46 -7.17 24.68 53.72 -4.54 25.54 52.91 -4.86 24.58 55.05 -5.31 23.17 55.35 -5.79 2 0 23.08-999 ?-999 ?-999 ? C5 PG4 B 301 mPHE~B 119 23.84 53.50 -3.52 23.16 54.22 -3.38 23.79 50.96 -3.51 24.38 49.93 -3.16 23.94 52.27 -2.70 22.96 52.28 -1.53 3 0 25.11-999 ?-999 ?-999 ? C5 PG4 B 301 mARG~B 120 23.02 51.01 -4.59 22.57 51.90 -4.73 24.19 49.34 -6.08 24.36 48.13 -6.19 22.86 49.87 -5.48 21.90 50.19 -6.61 2 0 23.28-999 ?-999 ?-999 ? C5 PG4 B 301 mASP~B 121 25.08 50.25 -6.47 24.74 51.19 -6.46 27.16 49.09 -5.76 27.86 48.09 -6.05 26.42 49.89 -6.85 27.22 51.15 -7.21 2 0 20.14-999 ?-999 ?-999 ? C5 PG4 B 301 mSER~B 122 27.00 49.53 -4.51 26.50 50.40 -4.46 26.95 47.38 -3.24 27.69 46.42 -3.03 27.54 48.80 -3.35 27.25 49.53 -2.05 2 0 22.30-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 123 25.63 47.28 -3.35 25.18 48.17 -3.47 25.41 45.00 -4.38 25.70 43.80 -4.08 24.92 46.00 -3.31 23.39 46.25 -3.39 3 0 23.87-999 ?-999 ?-999 ? C7 PG4 B 301 mSER~B 124 25.55 45.50 -5.61 25.28 46.46 -5.69 27.48 44.20 -6.48 27.75 43.03 -6.79 26.06 44.72 -6.72 26.03 45.57 -7.98 2 0 20.66-999 ?-999 ?-999 ? C7 PG4 B 301 mVAL~B 125 28.35 45.05 -5.94 27.97 45.96 -5.79 29.79 43.65 -4.47 30.65 42.74 -4.45 29.75 44.68 -5.60 30.61 45.94 -5.30 3 0 19.44-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 126 28.84 43.77 -3.53 28.22 44.54 -3.65 28.32 41.44 -2.94 28.93 40.40 -2.61 28.76 42.81 -2.41 27.90 43.31 -1.23 3 0 23.00-999 ?-999 ?-999 ? C7 PG4 B 301 mGLU~B 127 27.30 41.43 -3.79 26.86 42.32 -3.92 28.03 39.60 -5.28 28.28 38.40 -5.21 26.88 40.19 -4.45 25.65 40.43 -5.34 2 0 22.99-999 ?-999 ?-999 ? C7 PG4 B 301 mALA~B 128 28.74 40.45 -6.03 28.43 41.40 -5.98 30.93 39.39 -5.97 31.58 38.44 -6.38 29.86 40.03 -6.83 30.44 41.21 -7.61 2 0 19.65-999 ?-999 ?-999 ? C7 PG4 B 301 mPHE~B 129 31.09 39.92 -4.77 30.47 40.67 -4.55 31.67 38.08 -3.28 32.49 37.17 -3.18 32.09 39.42 -3.87 32.30 40.43 -2.74 3 0 21.17-999 ?-999 ?-999 ? O5 PG4 B 301 mARG~B 130 30.41 37.98 -2.89 29.86 38.80 -3.01 29.98 35.69 -3.39 30.52 34.61 -3.15 29.89 36.75 -2.32 28.46 36.94 -1.81 2 0 24.34-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 131 29.50 36.00 -4.60 29.09 36.90 -4.67 31.05 34.61 -5.91 31.30 33.60 -6.54 29.61 35.05 -5.71 29.12 35.67 -7.03 3 0 22.59-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 132 31.98 35.37 -5.35 31.64 36.02 -4.68 34.28 34.58 -4.63 35.40 34.15 -4.91 33.39 35.22 -5.72 33.91 36.58 -6.18 2 0 20.86-999 ?-999 ?-999 ? O5 PG4 B 301 mASN~B 133 33.77 34.51 -3.39 32.84 34.86 -3.31 33.83 32.76 -1.69 34.47 31.88 -1.09 34.53 33.97 -2.27 34.72 35.04 -1.20 2 0 23.90-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 144 23.52 36.03 6.80 23.68 35.56 5.93 24.18 37.96 8.27 23.67 39.04 8.52 23.30 36.72 8.07 23.43 35.76 9.26 3 0 28.49-999 ?-999 ?-999 ? CL CL A 302 mLYS~B 145 25.50 37.79 8.17 25.80 36.85 8.03 26.41 39.77 6.99 26.49 40.99 7.06 26.42 38.94 8.27 27.86 38.50 8.59 2 0 27.53-999 ?-999 ?-999 ? CL CL A 302 mASP~B 146 26.36 39.10 5.83 26.36 38.10 5.93 24.92 40.38 4.37 24.78 41.51 3.86 26.31 39.77 4.53 26.65 38.81 3.38 2 0 29.95-999 ?-999 ?-999 ? CL CL A 302 mARG~B 147 23.90 39.67 4.86 24.13 38.74 5.15 22.51 41.42 5.89 21.76 42.36 5.67 22.55 40.22 4.93 21.51 39.17 5.32 2 0 28.74-999 ?-999 ?-999 ? CL CL A 302 mLYS~B 148 23.34 41.40 6.92 23.89 40.58 7.01 24.15 43.75 7.27 23.73 44.91 7.47 23.40 42.54 7.84 23.93 42.13 9.21 2 0 25.18-999 ?-999 ?-999 ? CL CL A 302 mTHR~B 149 25.25 43.49 6.57 25.53 42.53 6.52 25.14 45.19 4.78 25.06 46.39 4.65 25.96 44.59 5.93 27.46 44.28 5.57 2 0 26.36-999 ?-999 ?-999 ? CL CL A 302 mGLU~B 150 24.47 44.35 4.00 24.63 43.38 4.21 22.49 45.72 3.47 22.13 46.73 2.85 23.58 44.83 2.94 22.86 43.65 2.28 2 0 28.47-999 ?-999 ?-999 ? CL CL A 302 mGLU~B 151 21.94 45.30 4.62 22.29 44.41 4.92 21.38 47.46 5.67 20.67 48.40 5.36 20.93 46.03 5.38 20.61 45.28 6.67 2 0 25.49-999 ?-999 ?-999 ? CL CL A 302 mGLU~B 152 22.56 47.62 6.26 23.02 46.76 6.51 23.35 49.78 5.24 23.17 50.99 5.25 23.11 48.96 6.49 24.38 48.90 7.32 2 0 23.69-999 ?-999 ?-999 ? CL CL A 302 mILE~B 153 23.74 49.12 4.15 23.76 48.13 4.26 22.87 50.44 2.30 22.88 51.61 1.90 24.11 49.82 2.91 24.80 48.85 1.92 3 0 27.04-999 ?-999 ?-999 ? CL CL A 302 mALA~B 154 21.81 49.64 2.30 21.96 48.74 2.72 20.00 51.14 2.62 19.54 52.16 2.12 20.56 50.03 1.76 19.62 48.85 1.76 2 0 27.74-999 ?-999 ?-999 ? CL CL A 302 mGLN~B 155 20.05 50.93 3.93 20.58 50.15 4.24 20.06 53.16 4.96 19.41 54.20 5.03 19.34 51.83 4.81 19.11 51.18 6.16 2 0 24.38-999 ?-999 ?-999 ? CL CL A 302 mLYS~B 156 21.39 53.13 4.99 21.80 52.22 4.91 22.51 54.87 3.74 23.22 55.86 3.62 22.18 54.34 5.11 23.48 54.05 5.85 2 0 23.95-999 ?-999 ?-999 ? CL CL A 302 mLYS~B 157 22.04 54.18 2.69 21.48 53.39 2.94 23.86 54.84 1.15 24.30 55.94 0.83 22.35 54.57 1.31 21.48 55.78 0.89 2 0 27.73-999 ?-999 ?-999 ? CL CL A 302 mILE~B 158 24.66 53.81 1.40 24.19 52.96 1.64 26.54 53.57 -0.11 26.45 52.40 -0.54 26.10 53.92 1.32 26.79 53.04 2.38 3 0 27.72-999 ?-999 ?-999 ? C7 PG4 B 301 mASN~B 159 27.04 54.57 -0.83 27.05 55.47 -0.40 28.88 53.67 -2.14 29.46 53.43 -1.08 27.52 54.31 -2.16 27.46 55.55 -3.07 2 0 24.21-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 160 29.39 53.40 -3.32 28.92 53.83 -4.09 31.78 53.23 -2.90 32.61 52.63 -2.24 30.55 52.54 -3.44 30.75 52.14 -4.90 3 0 21.30-999 ?-999 ?-999 ? C7 PG4 B 301 mTYR~B 161 31.87 54.52 -3.20 31.11 54.85 -3.76 32.92 55.52 -1.25 33.94 55.36 -0.59 32.95 55.37 -2.76 32.77 56.73 -3.44 3 0 21.87-999 ?-999 ?-999 ? C7 PG4 B 301 mGLU~B 162 31.75 55.80 -0.68 30.98 55.86 -1.33 31.98 54.70 1.54 32.53 54.74 2.63 31.63 56.00 0.77 30.20 56.44 1.12 2 0 25.63-999 ?-999 ?-999 ? C7 PG4 B 301 mTRP~B 163 31.58 53.57 0.95 31.11 53.71 0.09 33.29 51.95 1.51 33.81 51.52 2.51 31.81 52.25 1.52 31.08 51.19 0.71 3 0 25.31-999 ?-999 ?-999 ? C7 PG4 B 301 mMETB 164 33.96 52.20 0.38 33.39 52.49 -0.39 36.11 52.99 1.27 37.16 52.67 1.79 35.39 52.04 0.30 35.88 52.26 -1.14 2 0 23.26-999 ?-999 ?-999 ? C7 PG4 B 301 mLYS~B 165 35.53 54.16 1.54 34.68 54.33 1.04 36.21 54.56 3.95 36.96 55.08 4.76 36.15 55.08 2.51 35.44 56.44 2.49 2 0 25.99-999 ?-999 ?-999 ? C7 PG4 B 301 mMETB 166 35.44 53.51 4.24 34.93 53.15 3.46 36.17 51.67 5.72 36.07 50.98 6.73 35.38 52.96 5.59 33.93 52.67 5.97 2 0 28.37-999 ?-999 ?-999 ? CL CL A 302 mALA~B 167 36.91 51.33 4.68 36.88 51.99 3.93 38.94 50.23 5.51 39.40 51.33 5.79 37.68 50.10 4.64 38.03 49.75 3.22 2 0 27.01-999 ?-999 ?-999 ? C7 PG4 B 301 mPRO~B 168 39.51 49.09 5.95 39.01 48.25 5.73 41.90 49.81 5.89 41.95 49.64 4.67 40.79 49.15 6.70 41.13 47.68 6.93 3 0 28.86-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 169 42.76 50.57 6.57 42.41 50.78 7.48 44.71 50.12 5.02 45.06 50.54 3.90 44.06 51.06 6.05 45.03 51.31 7.26 2 0 28.68-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 170 44.86 48.85 5.39 44.43 48.63 6.27 44.89 47.42 3.29 45.47 46.67 2.49 45.58 47.86 4.58 45.88 46.65 5.45 2 0 27.03-999 ?-999 ?-999 ? O5 PG4 B 301 mASN~B 171 43.65 47.87 3.09 43.30 48.50 3.79 43.32 48.30 0.71 42.85 49.46 0.53 42.90 47.44 1.92 41.39 47.53 2.21 2 0 24.03-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 172 44.22 47.73 -0.11 44.42 46.77 0.11 43.79 48.90 -2.25 43.83 50.02 -2.77 44.84 48.47 -1.23 45.94 47.65 -1.91 3 0 21.27-999 ?-999 ?-999 ? O5 PG4 B 301 mILE~B 173 42.85 48.01 -2.53 42.83 47.19 -1.96 40.98 49.39 -3.21 40.70 50.29 -4.02 41.92 48.27 -3.63 41.17 47.00 -4.10 3 0 18.53-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 174 40.55 49.35 -1.94 40.88 48.55 -1.43 40.32 51.77 -1.46 39.71 52.72 -1.93 39.67 50.38 -1.37 39.29 50.06 0.11 2 0 21.00-999 ?-999 ?-999 ? C7 PG4 B 301 mARG~B 175 41.58 51.82 -1.02 41.89 50.96 -0.63 42.40 53.65 -2.50 42.16 54.86 -2.69 42.42 53.01 -1.10 43.84 52.56 -0.74 2 0 21.96-999 ?-999 ?-999 ? C7 PG4 B 301 mGLU~B 176 42.61 52.80 -3.49 42.68 51.87 -3.15 41.38 53.67 -5.39 41.33 54.69 -6.08 42.72 53.12 -4.89 43.06 51.78 -5.51 2 0 18.43-999 ?-999 ?-999 ? C7 PG4 B 301 mLEU~B 177 40.28 53.03 -5.02 40.42 52.20 -4.48 38.66 54.90 -4.77 37.81 55.64 -5.27 38.97 53.55 -5.40 37.87 52.55 -5.06 3 0 17.79-999 ?-999 ?-999 ? C7 PG4 B 301 mVAL~B 178 39.35 55.23 -3.69 40.07 54.59 -3.41 40.02 57.58 -3.34 39.64 58.76 -3.39 39.04 56.45 -2.99 39.06 56.18 -1.45 3 0 21.10-999 ?-999 ?-999 ? C7 PG4 B 301 mASP~B 179 41.29 57.26 -3.56 41.50 56.29 -3.64 42.60 58.68 -5.11 43.54 59.39 -5.33 42.25 58.33 -3.67 43.50 57.99 -2.87 2 0 21.55-999 ?-999 ?-999 ? C7 PG4 B 301 mGLY~B 180 41.86 58.16 -6.09 41.11 57.56 -5.81 43.17 57.53 -8.14 43.88 57.93 -9.08 42.19 58.48 -7.48-999.99-999.99-999.99 1 0 18.45-999 ?-999 ?-999 ? C7 PG4 B 301 mPHE~B 181 43.24 56.29 -7.68 42.65 56.12 -6.89 45.62 55.63 -8.30 46.34 55.38 -9.29 44.10 55.26 -8.30 43.60 54.94 -9.72 3 0 16.50-999 ?-999 ?-999 ? C7 PG4 B 301 mLYS~B 182 46.07 56.20 -7.19 45.40 56.27 -6.45 48.47 55.58 -7.39 49.47 55.84 -8.08 47.45 56.67 -7.08 47.72 57.22 -5.68 2 0 19.33-999 ?-999 ?-999 ? C7 PG4 B 301 mILE~B 183 48.21 54.37 -6.89 47.34 54.29 -6.41 49.16 52.85 -8.48 50.25 52.60 -9.03 49.14 53.28 -7.04 48.73 52.06 -6.19 3 0 18.57-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 184 47.97 52.75 -9.10 47.17 52.94 -8.54 48.59 53.42 -11.39 49.19 53.06 -12.40 47.90 52.38 -10.51 46.45 52.20 -10.97 2 0 14.90-999 ?-999 ?-999 ? O5 PG4 B 301 mILE~B 185 48.49 54.69 -11.01 47.90 54.84 -10.21 50.70 55.58 -11.60 51.39 55.51 -12.62 49.17 55.77 -11.71 48.70 57.17 -11.20 3 0 16.44-999 ?-999 ?-999 ? C7 PG4 B 301 mGLU~B 186 51.23 55.48 -10.39 50.59 55.63 -9.64 53.07 53.93 -11.03 54.11 53.95 -11.68 52.64 55.17 -10.22 52.99 55.02 -8.74 2 0 19.00-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 187 52.26 52.87 -11.00 51.44 53.00 -10.45 52.73 51.89 -13.22 53.71 51.46 -13.85 52.57 51.62 -11.73-999.99-999.99-999.99 1 0 16.51-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 188 51.79 52.65 -13.77 51.07 52.92 -13.12 53.02 53.85 -15.56 53.62 53.61 -16.61 51.78 53.03 -15.17 50.52 53.80 -15.46 2 0 14.65-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 189 53.42 54.77 -14.69 52.81 54.86 -13.90 55.86 54.66 -14.85 56.76 54.81 -15.66 54.64 55.57 -14.88 54.75 56.67 -13.81 2 0 18.20-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 190 55.84 53.68 -13.94 55.07 53.70 -13.31 57.02 52.02 -15.30 58.12 51.97 -15.87 56.90 52.67 -13.92 56.69 51.62 -12.83 3 0 19.10-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 191 55.88 51.59 -15.84 55.07 51.81 -15.30 56.33 51.74 -18.26 57.04 51.27 -19.12 55.85 50.87 -17.14 54.44 50.30 -17.48 3 0 16.42-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 192 55.96 53.00 -18.24 55.48 53.27 -17.40 57.68 54.32 -19.43 58.18 54.61 -20.52 56.22 53.90 -19.35 55.31 55.11 -19.23 3 0 17.43-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 193 58.37 54.33 -18.31 57.87 54.08 -17.48 60.60 53.45 -18.60 61.76 53.53 -18.99 59.78 54.70 -18.35 60.21 55.38 -17.06 2 0 21.09-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 194 59.96 52.30 -18.40 59.03 52.40 -18.04 60.50 50.60 -20.16 61.41 49.99 -20.67 60.60 51.02 -18.68 60.04 49.92 -17.77 3 0 20.55-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 195 59.42 50.95 -20.86 58.81 51.59 -20.39 58.26 49.19 -22.22 58.01 48.58 -21.18 59.20 50.40 -22.21-999.99-999.99-999.99 1 0 18.78-999 ?-999 ?-999 ? O5 PG4 B 301 mASN~B 196 57.73 48.87 -23.40 58.15 49.34 -24.18 57.14 46.50 -23.79 57.61 46.19 -24.89 56.65 47.90 -23.53 55.67 48.31 -24.65 2 0 15.87-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 197 57.03 45.64 -22.77 56.63 46.06 -21.95 56.95 43.42 -21.65 56.18 43.93 -20.81 57.45 44.24 -22.85 58.98 44.12 -22.95 2 0 16.57-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 198 57.36 42.15 -21.60 57.88 41.87 -22.41 57.96 41.54 -19.28 57.49 41.55 -18.14 57.06 41.26 -20.48-999.99-999.99-999.99 1 0 16.79-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 199 59.24 41.77 -19.55 59.50 41.63 -20.51 59.65 43.42 -17.77 59.76 43.50 -16.56 60.18 42.19 -18.51 61.56 42.47 -19.11 2 0 19.85-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 200 59.06 44.36 -18.50 59.08 44.20 -19.49 57.37 45.06 -16.86 57.38 45.49 -15.71 58.44 45.51 -17.88 57.84 46.42 -18.93 2 0 17.93-999 ?-999 ?-999 ? O5 PG4 B 301 mVAL~B 201 56.46 44.20 -17.30 56.63 43.87 -18.23 55.82 42.95 -15.30 55.39 43.16 -14.17 55.32 43.77 -16.48 54.33 42.95 -17.32 3 0 15.50-999 ?-999 ?-999 ? O5 PG4 B 301 mVAL~B 202 56.76 42.05 -15.57 57.00 41.98 -16.54 58.06 42.13 -13.46 57.97 41.87 -12.25 57.39 41.25 -14.52 58.34 40.17 -15.14 3 0 18.60-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 203 58.69 43.21 -13.92 58.65 43.30 -14.91 58.41 44.95 -12.20 58.62 45.08 -11.00 59.37 44.16 -13.04 60.23 45.12 -13.86 2 0 20.51-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 204 57.34 45.46 -12.81 57.32 45.35 -13.81 55.75 45.22 -10.95 55.49 45.65 -9.82 56.30 46.13 -12.05 55.17 46.64 -12.95 3 0 18.26-999 ?-999 ?-999 ? O5 PG4 B 301 mTYR~B 205 55.59 43.95 -11.28 55.93 43.69 -12.19 55.79 42.96 -9.06 55.26 43.18 -7.98 54.96 43.04 -10.35 54.75 41.67 -10.99 3 0 18.39-999 ?-999 ?-999 ? O5 PG4 B 301 mTYR~B 206 57.08 42.69 -9.20 57.38 42.59 -10.15 58.18 43.85 -7.29 58.22 43.88 -6.06 57.96 42.54 -8.04 59.29 41.90 -8.44 3 0 22.22-999 ?-999 ?-999 ? O5 PG4 B 301 mHIS~B 207 58.29 44.92 -8.05 58.39 44.72 -9.03 57.12 46.48 -6.52 57.34 46.83 -5.35 58.28 46.27 -7.49 58.23 47.30 -8.63 3 0 22.57-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 208 55.90 46.26 -7.01 55.88 46.05 -7.98 54.71 45.28 -5.06 54.49 45.61 -3.90 54.69 46.32 -6.16 53.41 46.20 -6.99 3 0 20.93-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 209 55.06 44.04 -5.41 55.19 43.89 -6.38 56.15 43.48 -3.24 55.92 43.14 -2.09 55.22 43.02 -4.39 55.74 41.72 -5.02 3 0 22.80-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 210 57.19 44.26 -3.55 57.24 44.53 -4.52 57.66 45.83 -1.68 58.18 46.11 -0.59 58.16 44.67 -2.53 59.48 45.07 -3.18 2 0 25.97-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 211 56.65 46.51 -2.20 56.22 46.08 -2.99 55.00 47.67 -0.77 54.91 48.31 0.26 56.24 47.79 -1.65 55.97 48.73 -2.81 2 0 25.49-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 212 54.03 46.86 -1.20 54.27 46.33 -2.01 52.50 45.38 0.01 52.42 44.41 -0.79 52.75 46.79 -0.52 51.63 47.20 -1.48 3 0 24.49-999 ?-999 ?-999 ? O5 PG4 B 301 mPRO~B 213 52.36 45.26 1.35 52.60 46.05 1.90 50.49 43.65 1.28 49.64 44.54 1.16 51.88 44.00 1.89 51.76 44.29 3.39 3 0 26.30-999 ?-999 ?-999 ? O5 PG4 B 301 mASP~B 214 50.28 42.41 0.87 51.01 41.76 1.09 47.99 41.68 1.12 48.15 40.70 1.82 49.05 42.08 0.14 49.25 40.94 -0.86 2 0 23.85-999 ?-999 ?-999 ? O5 PG4 B 301 mPRO~B 215 46.86 42.42 1.12 46.84 43.14 0.43 45.18 40.74 2.01 44.83 40.18 3.05 45.76 42.15 2.09 44.72 43.22 1.77 3 0 24.81-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 216 45.12 40.13 0.83 45.33 40.72 0.05 45.74 37.82 1.50 45.35 36.90 2.21 44.75 38.70 0.75 44.64 38.21 -0.70 3 0 24.12-999 ?-999 ?-999 ? O5 PG4 B 301 mVAL~B 217 47.03 38.08 1.35 47.26 38.78 0.68 47.83 37.65 3.65 47.75 36.74 4.47 48.00 37.34 2.14 49.45 37.55 1.61 3 0 26.52-999 ?-999 ?-999 ? O5 PG4 B 301 mILE~B 218 47.72 38.92 4.02 47.83 39.58 3.28 46.33 38.36 5.97 46.56 37.62 6.92 47.45 39.25 5.43 47.12 40.77 5.64 3 0 28.92-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 219 45.15 38.41 5.35 45.16 38.96 4.52 44.09 36.21 6.01 43.42 35.60 6.84 43.95 37.73 5.85 42.76 38.06 4.99 2 0 29.14-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 220 44.97 35.60 5.22 45.50 36.22 4.63 46.29 33.74 6.15 46.10 32.89 7.02 45.14 34.16 5.23 45.38 33.65 3.81 2 0 29.90-999 ?-999 ?-999 ? O5 PG4 B 301 mMETB 221 47.45 34.35 5.93 47.40 35.07 5.24 49.04 35.00 7.72 49.99 34.79 8.47 48.69 34.01 6.63 49.85 34.01 5.64 2 0 31.90-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 222 48.31 36.11 7.78 47.61 36.18 7.08 49.60 38.14 8.49 50.49 37.93 7.66 48.54 37.11 8.81-999.99-999.99-999.99 1 0 32.88-999 ?-999 ?-999 ? O5 PG4 B 301 mARG~B 223 49.50 39.26 9.19 48.79 39.20 9.89 51.83 40.17 8.87 52.54 40.85 8.14 50.33 40.44 9.01 50.07 41.39 10.19 2 0 32.81-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 224 52.30 39.15 9.59 51.59 38.63 10.05 54.28 38.25 8.38 55.26 38.75 7.83 53.73 38.83 9.69 53.92 37.84 10.82 2 0 34.84-999 ?-999 ?-999 ? O5 PG4 B 301 mTYR~B 225 53.64 37.18 7.91 52.89 36.88 8.50 53.94 37.50 5.48 54.88 37.57 4.70 53.98 36.51 6.67 53.01 35.35 6.46 3 0 32.81-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 226 52.85 38.25 5.37 52.16 38.06 6.06 53.78 40.34 4.35 54.31 40.71 3.32 52.68 39.27 4.34 51.32 39.92 4.47 2 0 29.54-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 227 54.12 40.83 5.53 53.59 40.46 6.30 56.48 41.19 5.17 57.29 41.88 4.54 55.19 41.81 5.67 55.33 42.22 7.13 2 0 31.34-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 228 56.63 39.89 5.40 55.86 39.47 5.90 57.92 38.99 3.44 59.02 39.04 2.89 57.81 39.14 4.97 57.87 37.77 5.64 2 0 32.47-999 ?-999 ?-999 ? O5 PG4 B 301 mILE~B 229 56.78 38.79 2.78 55.98 38.66 3.36 57.42 40.02 0.75 58.31 39.89 -0.07 56.72 38.78 1.31 55.26 38.76 0.76 3 0 28.98-999 ?-999 ?-999 ? O5 PG4 B 301 mTHR~B 230 57.02 41.20 1.21 56.33 41.17 1.94 59.08 42.36 0.76 59.80 42.52 -0.22 57.58 42.43 0.65 57.04 43.71 1.34 2 0 28.27-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 231 59.55 42.07 1.97 58.85 41.91 2.67 61.60 40.90 1.37 62.68 41.09 0.82 60.97 42.00 2.20 61.28 41.87 3.69 2 0 31.61-999 ?-999 ?-999 ? O5 PG4 B 301 mTRP~B 232 60.90 39.78 1.23 60.05 39.72 1.75 61.57 39.31 -1.05 62.69 39.39 -1.56 61.42 38.73 0.36 60.53 37.47 0.35 3 0 31.10-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 233 60.44 39.73 -1.65 59.63 39.60 -1.08 61.45 41.40 -3.23 62.03 41.48 -4.31 60.39 40.32 -2.99 59.01 40.87 -3.27 2 0 27.71-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 234 61.69 42.22 -2.21 61.05 42.11 -1.45 64.14 42.55 -2.55 64.94 43.14 -3.26 62.78 43.18 -2.21 62.85 43.85 -0.83 2 0 29.55-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 235 64.39 41.34 -2.05 63.65 40.97 -1.48 65.66 40.11 -3.76 66.65 40.27 -4.47 65.65 40.65 -2.34 65.88 39.48 -1.38 2 0 31.95-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 236 64.55 39.49 -4.17 63.74 39.70 -3.62 64.73 39.25 -6.69 63.78 39.76 -7.30 64.54 38.57 -5.32 63.28 37.69 -5.30 2 0 29.75-999 ?-999 ?-999 ? O5 PG4 B 301 mARG~B 237 65.97 39.23 -7.18 66.63 38.73 -6.61 66.42 38.93 -9.63 65.93 39.24 -10.71 66.31 39.89 -8.44 67.57 40.71 -8.28 2 0 29.33-999 ?-999 ?-999 ? O5 PG4 B 301 mTHR~B 238 67.04 37.77 -9.41 67.25 37.58 -8.45 66.16 36.11 -11.03 65.15 36.00 -10.33 67.37 36.87 -10.53 68.55 35.91 -10.20 2 0 30.13-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 239 66.28 35.60 -12.26 67.15 35.81 -12.71 64.83 33.66 -12.00 63.64 33.33 -11.90 65.22 34.82 -12.89 65.65 34.32 -14.25 2 0 28.13-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 240 65.81 33.07 -11.31 66.71 33.47 -11.45 65.21 32.30 -8.96 64.50 31.55 -8.30 65.53 31.94 -10.43 66.63 30.88 -10.51 2 0 30.48-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 241 65.73 33.43 -8.48 66.35 33.89 -9.10 63.93 34.24 -7.05 63.29 34.04 -6.01 65.40 33.92 -7.13 66.18 35.20 -6.81 2 0 30.96-999 ?-999 ?-999 ? O5 PG4 B 301 mARG~B 242 63.40 34.77 -8.15 64.06 34.96 -8.88 61.23 33.74 -8.44 60.19 33.54 -7.80 61.99 35.05 -8.28 61.75 36.02 -9.44 2 0 27.31-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 243 61.76 32.83 -9.25 62.54 33.15 -9.77 61.16 30.83 -7.95 60.19 30.13 -7.61 61.21 31.47 -9.34 62.04 30.62 -10.31 2 0 27.85-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 244 62.20 31.10 -7.16 62.90 31.67 -7.59 61.17 31.15 -4.93 60.42 30.38 -4.33 62.30 30.61 -5.80 63.66 30.97 -5.21 2 0 30.79-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 245 61.07 32.47 -4.87 61.77 32.97 -5.37 58.61 32.61 -4.51 57.76 32.39 -3.65 60.00 33.12 -4.12 60.08 34.63 -4.28 3 0 29.02-999 ?-999 ?-999 ? O5 PG4 B 301 mASP~B 246 58.38 32.41 -5.81 59.18 32.54 -6.40 56.68 30.64 -5.83 55.54 30.37 -5.43 57.04 32.04 -6.28 56.93 32.14 -7.82 2 0 26.36-999 ?-999 ?-999 ? O5 PG4 B 301 mGLU~B 247 57.67 29.75 -5.91 58.53 30.12 -6.25 57.24 28.32 -4.02 56.36 27.59 -3.54 57.49 28.37 -5.52 58.74 27.60 -5.89 2 0 29.13-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 248 58.01 29.12 -3.30 58.69 29.62 -3.84 56.47 29.62 -1.49 55.87 28.98 -0.62 57.91 29.26 -1.87 58.88 30.36 -1.42 2 0 31.08-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 249 55.92 30.62 -2.18 56.53 31.02 -2.87 53.51 30.04 -2.31 52.48 29.93 -1.63 54.56 31.09 -1.96 54.29 32.37 -2.76 3 0 28.34-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 250 53.76 29.30 -3.39 54.64 29.47 -3.82 52.54 27.23 -2.85 51.41 26.99 -2.42 52.78 28.32 -3.88 53.23 27.73 -5.23 3 0 27.81-999 ?-999 ?-999 ? O5 PG4 B 301 mLYS~B 251 53.63 26.61 -2.43 54.47 26.92 -2.88 53.06 26.09 -0.07 52.38 25.35 0.65 53.61 25.57 -1.41 55.02 24.97 -1.26 2 0 31.52-999 ?-999 ?-999 ? O5 PG4 B 301 mASP~B 252 53.34 27.36 0.24 53.96 27.80 -0.41 51.32 28.43 1.28 50.72 28.92 2.23 52.79 28.02 1.43 53.60 29.26 1.78 2 0 31.70-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 253 50.76 28.26 0.09 51.39 27.95 -0.62 48.95 29.99 -0.11 47.76 30.31 -0.09 49.34 28.53 -0.14-999.99-999.99-999.99 1 0 29.10-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 254 49.96 30.86 -0.08 50.86 30.44 0.01 49.79 32.79 -1.61 50.74 32.51 -2.34 49.75 32.31 -0.17 50.78 33.05 0.66 2 0 27.13-999 ?-999 ?-999 ? O5 PG4 B 301 mASN~B 255 48.76 33.52 -2.01 48.03 33.61 -1.33 48.51 35.66 -3.19 47.50 36.12 -2.65 48.70 34.13 -3.31 47.60 33.47 -4.15 2 0 23.35-999 ?-999 ?-999 ? O5 PG4 B 301 mPRO~B 256 49.49 36.44 -3.67 50.29 35.95 -4.03 48.51 38.45 -4.80 49.01 39.18 -5.67 49.38 37.91 -3.64 50.83 38.39 -3.76 3 0 21.67-999 ?-999 ?-999 ? O5 PG4 B 301 mGLY~B 257 47.23 38.10 -4.77 46.95 37.60 -3.95 46.09 39.92 -6.05 45.82 40.38 -7.17 46.31 38.43 -5.86-999.99-999.99-999.99 1 0 18.52-999 ?-999 ?-999 ? O5 PG4 B 301 mTHR~B 258 46.22 40.68 -4.97 46.41 40.16 -4.14 47.26 42.81 -5.76 47.06 43.71 -6.53 46.09 42.15 -5.01 46.02 42.75 -3.60 2 0 18.10-999 ?-999 ?-999 ? O5 PG4 B 301 mILE~B 259 48.47 42.34 -5.51 48.53 41.67 -4.78 49.32 42.58 -7.75 49.56 43.47 -8.56 49.62 42.80 -6.27 50.92 42.06 -5.81 3 0 18.18-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 260 48.77 41.41 -8.10 48.62 40.79 -7.32 47.36 42.03 -10.05 47.56 42.60 -11.13 48.43 41.08 -9.49 47.95 39.66 -9.60 2 0 15.30-999 ?-999 ?-999 ? O5 PG4 B 301 mASP~B 261 46.25 42.19 -9.31 46.19 41.60 -8.51 45.81 44.54 -9.99 45.46 45.15 -10.98 45.21 43.16 -9.67 44.18 43.32 -8.54 2 0 13.29-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 262 46.73 44.99 -9.16 47.03 44.34 -8.46 48.16 46.42 -10.49 48.35 47.49 -11.06 47.26 46.34 -9.29 48.04 46.72 -8.05 3 0 14.16-999 ?-999 ?-999 ? O5 PG4 B 301 mTHR~B 263 48.73 45.28 -10.87 48.50 44.49 -10.31 48.74 45.40 -13.24 49.07 46.12 -14.17 49.62 45.24 -12.01 50.39 43.91 -12.05 2 0 13.20-999 ?-999 ?-999 ? O5 PG4 B 301 mALA~B 264 47.61 44.70 -13.24 47.49 44.09 -12.46 46.13 46.31 -14.41 46.08 46.89 -15.49 46.63 44.85 -14.31 45.47 43.88 -14.13 2 0 9.57-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 265 45.72 46.92 -13.31 45.79 46.36 -12.48 46.28 49.30 -13.96 45.96 50.11 -14.80 45.22 48.31 -13.40 44.67 48.77 -12.05 2 0 9.88-999 ?-999 ?-999 ? O5 PG4 B 301 mSER~B 266 47.53 49.20 -13.50 47.61 48.58 -12.72 48.85 49.73 -15.60 49.02 50.70 -16.33 48.69 49.91 -14.09 49.99 49.45 -13.44 2 0 11.75-999 ?-999 ?-999 ? O5 PG4 B 301 mILE~B 267 48.84 48.47 -16.04 48.78 47.77 -15.33 47.85 48.92 -18.23 48.19 49.60 -19.25 48.91 48.15 -17.44 48.78 46.61 -17.67 3 0 9.42-999 ?-999 ?-999 ? O5 PG4 B 301 mPHE~B 268 46.59 48.84 -17.78 46.45 48.30 -16.95 45.82 51.00 -18.69 45.84 51.53 -19.79 45.53 49.50 -18.50 44.18 49.28 -17.83 3 0 6.79-999 ?-999 ?-999 ? O5 PG4 B 301 mLEU~B 269 46.04 51.68 -17.58 45.98 51.14 -16.75 47.58 53.41 -18.47 47.60 54.42 -19.11 46.35 53.10 -17.60 46.55 53.59 -16.16 3 0 9.91-999 ?-999 ?-999 ? C7 PG4 B 301 mALA~B 270 48.59 52.52 -18.52 48.45 51.72 -17.94 49.45 52.55 -20.86 49.89 53.33 -21.73 49.77 52.75 -19.36 50.96 51.87 -18.92 2 0 11.44-999 ?-999 ?-999 ? C8 PG4 B 301 mLEU~B 271 48.64 51.53 -21.15 48.44 50.93 -20.38 47.41 52.58 -22.98 47.68 53.07 -24.09 48.12 51.33 -22.51 47.15 50.13 -22.58 3 0 8.75-999 ?-999 ?-999 ? C8 PG4 B 301 mALA~B 272 46.53 53.13 -22.13 46.46 52.68 -21.24 46.61 55.57 -22.68 46.32 56.46 -23.50 45.75 54.30 -22.55 44.56 54.53 -21.62 2 0 9.00-999 ?-999 ?-999 ? C6 PG4 B 301 mGLU~B 273 47.67 55.66 -21.88 47.77 54.92 -21.22 49.38 56.67 -23.32 49.59 57.66 -23.98 48.58 56.79 -22.01 49.51 56.94 -20.81 2 0 12.74-999 ?-999 ?-999 ? C8 PG4 B 301 mGLY~B 274 49.75 55.46 -23.70 49.42 54.71 -23.12 51.90 54.67 -24.48 52.83 55.39 -24.13 50.56 55.26 -24.88-999.99-999.99-999.99 1 0 13.13-999 ?-999 ?-999 ? O1 PG4 B 301 mTRP~B 275 51.99 53.34 -24.58 51.24 52.92 -25.08 53.83 51.83 -25.07 53.31 50.91 -25.70 53.08 52.59 -24.00 52.50 51.63 -22.95 3 0 13.79-999 ?-999 ?-999 ? C8 PG4 B 301 mARG~B 276 55.08 52.26 -25.29 55.35 53.00 -24.68 57.36 51.45 -25.75 57.95 50.37 -25.95 55.95 51.70 -26.34 56.02 52.65 -27.55 2 0 16.04-999 ?-999 ?-999 ? O1 PG4 B 301 mPHE~C 43 56.22 83.50 58.00 55.99 84.41 58.35 56.40 81.07 58.56 55.88 79.98 58.29 56.56 82.14 57.49 57.96 82.12 56.90 3 0 38.05-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 44 56.82 81.40 59.78 57.26 82.29 59.84 55.15 80.23 61.24 54.83 79.42 62.12 56.64 80.50 60.93 57.36 81.06 62.17 3 0 38.92-999 ?-999 ?-999 ? O2 GOL A 303 mALA~C 45 54.26 80.90 60.50 54.67 81.60 59.92 52.39 79.72 59.42 51.72 78.70 59.64 52.82 80.64 60.56 52.02 81.93 60.53 2 0 36.44-999 ?-999 ?-999 ? O2 GOL A 303 mSER~C 46 52.79 80.07 58.19 53.23 80.96 58.14 53.10 77.79 57.40 52.61 76.78 56.90 52.59 79.18 57.04 53.30 79.73 55.82 2 0 33.59-999 ?-999 ?-999 ? O2 GOL A 303 mALA~C 47 54.08 77.76 58.29 54.40 78.67 58.56 53.63 75.76 59.67 53.55 74.53 59.59 54.64 76.52 58.82 55.91 76.82 59.64 2 0 34.30-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 48 52.86 76.50 60.47 52.94 77.48 60.30 50.79 75.12 60.99 50.39 74.16 61.63 51.99 75.93 61.50 51.51 77.03 62.43 2 0 33.91-999 ?-999 ?-999 ? O2 GOL A 303 mGLY~C 49 50.22 75.51 59.84 50.63 76.33 59.44 49.56 73.40 58.79 48.78 72.44 58.78 49.11 74.77 59.24-999.99-999.99-999.99 1 0 30.20-999 ?-999 ?-999 ? O2 GOL A 303 mALA~C 50 50.84 73.29 58.45 51.36 74.14 58.53 51.82 71.09 59.13 52.22 69.96 58.88 51.42 72.03 58.00 52.59 72.29 57.08 2 0 29.57-999 ?-999 ?-999 ? O2 GOL A 303 mPHE~C 51 51.70 71.54 60.38 51.29 72.44 60.46 51.62 69.29 61.56 52.43 68.35 61.74 52.16 70.73 61.52 51.91 71.44 62.85 3 0 31.74-999 ?-999 ?-999 ? O2 GOL A 303 mPRO~C 52 50.28 69.11 61.39 49.72 69.92 61.26 50.38 66.89 60.31 50.69 65.74 60.54 49.77 67.74 61.41 48.26 67.92 61.22 3 0 29.14-999 ?-999 ?-999 ? O2 GOL A 303 mALA~C 53 50.57 67.46 59.13 50.20 68.38 59.06 52.70 66.32 58.48 53.12 65.19 58.25 51.28 66.74 58.05 51.34 67.58 56.77 2 0 27.41-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 54 53.43 67.24 59.10 52.98 68.12 59.25 54.76 65.71 60.44 55.56 64.77 60.30 54.80 66.91 59.49 55.52 68.13 60.11 3 0 30.78-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 55 53.78 65.70 61.35 53.16 66.48 61.29 53.44 63.31 61.63 54.11 62.32 61.96 53.64 64.61 62.34 52.48 64.84 63.33 3 0 31.46-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 56 52.56 63.30 60.64 52.09 64.18 60.49 53.54 61.57 59.10 53.84 60.36 59.12 52.31 62.10 59.86 51.10 62.24 58.94 2 0 28.31-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 57 54.27 62.48 58.45 53.87 63.40 58.44 56.53 61.59 58.86 57.20 60.57 58.64 55.56 62.15 57.81 56.19 63.43 57.22 3 0 29.16-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 58 56.62 62.29 59.99 56.08 63.14 59.98 57.10 60.41 61.55 58.00 59.65 61.91 57.42 61.85 61.13 57.27 62.83 62.33 2 0 32.70-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 59 55.82 60.04 61.45 55.21 60.74 61.09 55.47 57.65 60.75 56.01 56.56 60.95 55.40 58.69 61.86 54.01 58.71 62.52 2 0 31.58-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 60 54.93 58.01 59.58 54.66 58.97 59.54 55.89 57.11 57.47 56.10 56.13 56.76 54.73 57.10 58.47 53.46 57.47 57.72 2 0 28.71-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 61 56.60 58.24 57.40 56.21 58.97 57.96 57.54 58.36 55.07 58.30 57.82 54.27 57.83 58.43 56.58 58.94 57.48 57.04 2 0 29.86-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 62 56.42 58.99 54.72 55.98 59.45 55.48 56.24 60.34 52.70 55.84 61.41 53.18 55.89 59.01 53.36 54.38 58.81 53.44 3 0 26.44-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 63 57.01 60.31 51.63 57.19 59.39 51.27 56.54 62.29 50.11 56.08 63.37 50.43 57.51 61.57 51.05 58.88 61.39 50.36 3 0 26.89-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 64 56.27 61.74 48.94 56.71 60.85 48.76 54.09 62.87 48.67 53.69 64.02 48.57 55.38 62.42 48.01-999.99-999.99-999.99 1 0 23.83-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 65 53.43 61.96 49.38 53.88 61.07 49.43 52.34 63.23 51.21 51.45 64.04 51.50 52.17 62.28 50.01 51.40 61.00 50.37 2 0 21.90-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 66 53.48 63.14 51.88 54.05 62.36 51.63 53.89 65.53 52.29 53.33 66.46 52.85 53.85 64.14 52.88-999.99-999.99-999.99 1 0 25.22-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 67 54.54 65.67 51.13 54.95 64.82 50.78 53.24 67.41 50.00 52.87 68.57 50.16 54.62 66.96 50.46 55.56 66.89 49.25 3 0 25.46-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 68 52.49 66.46 49.47 52.91 65.56 49.48 50.16 67.16 50.02 49.48 68.17 49.90 51.15 66.74 48.92 50.65 65.52 48.10 3 0 21.87-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 69 50.13 66.42 51.12 50.70 65.60 51.09 49.68 68.19 52.85 48.79 68.98 53.16 49.31 66.80 52.26 49.31 65.70 53.32 2 0 22.32-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 70 50.97 68.47 52.96 51.58 67.74 52.65 51.02 70.93 52.65 50.67 71.99 53.20 51.46 69.74 53.49 52.96 69.71 53.63 2 0 25.77-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 71 51.03 70.77 51.33 51.39 69.89 51.01 49.07 71.96 50.60 48.56 73.08 50.68 50.56 71.81 50.44 50.91 71.50 49.00 3 0 24.62-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 72 48.36 70.84 50.64 48.89 69.99 50.59 46.49 71.58 52.06 45.86 72.64 52.03 46.89 70.89 50.75 46.26 69.50 50.62 2 0 21.89-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 73 46.90 71.01 53.18 47.45 70.18 53.05 46.96 73.02 54.56 46.17 73.86 54.97 46.57 71.56 54.48 47.25 70.79 55.60 2 0 24.12-999 ?-999 ?-999 ? O2 GOL A 303 mSER~C 74 48.18 73.32 54.13 48.69 72.54 53.79 47.92 75.65 53.27 47.99 76.86 53.46 48.70 74.68 54.17 50.20 74.68 53.87 2 0 27.03-999 ?-999 ?-999 ? O2 GOL A 303 mMETC 75 47.15 75.12 52.31 47.19 74.12 52.27 44.92 76.27 51.93 44.32 77.29 51.55 46.33 75.95 51.42 46.21 75.30 50.04 2 0 25.07-999 ?-999 ?-999 ? O2 GOL A 303 mARG~C 76 44.37 75.39 52.77 44.98 74.65 53.06 42.86 76.59 54.32 42.10 77.56 54.18 42.99 75.53 53.22 42.44 74.19 53.67 2 0 23.86-999 ?-999 ?-999 ? O2 GOL A 303 mVAL~C 83 52.25 77.32 47.36 52.36 76.62 46.66 53.42 78.57 49.08 53.91 79.71 49.16 52.08 78.34 48.39 50.96 77.94 49.38 3 0 28.95-999 ?-999 ?-999 ? O3 GOL A 303 mHIS~C 84 53.99 77.48 49.58 53.37 76.69 49.61 55.98 76.08 49.62 56.76 75.46 50.36 55.37 77.43 50.05 55.42 77.57 51.57 3 0 31.10-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 85 55.59 75.65 48.42 55.05 76.32 47.90 57.37 73.93 48.13 57.61 72.89 48.72 55.92 74.35 47.89 55.58 74.28 46.40 3 0 28.93-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 86 58.34 74.72 47.67 58.01 75.55 47.24 60.17 74.06 49.24 60.92 73.12 49.50 59.76 74.36 47.81-999.99-999.99-999.99 1 0 31.94-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 87 59.66 74.84 50.19 59.11 75.60 49.84 59.48 73.16 52.00 60.21 72.46 52.67 59.91 74.58 51.60 59.25 75.62 52.45 2 0 33.44-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 88 58.32 72.73 51.54 57.83 73.37 50.94 58.61 70.32 51.24 58.97 69.33 51.90 57.81 71.43 51.91 56.30 71.33 51.65 3 0 30.44-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 89 58.91 70.50 49.95 58.50 71.31 49.53 61.13 69.39 49.92 61.69 68.30 49.89 59.76 69.59 49.23 59.95 70.10 47.80 3 0 30.23-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 90 61.66 70.45 50.53 61.11 71.29 50.44 62.78 69.73 52.65 63.59 68.87 53.05 62.94 70.36 51.26 63.59 71.75 51.44 3 0 33.98-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 91 61.75 70.15 53.37 61.12 70.78 52.90 61.00 68.29 54.93 61.41 67.55 55.83 61.59 69.69 54.76 60.78 70.69 55.56 3 0 34.08-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 92 60.07 67.90 54.08 59.86 68.54 53.35 60.47 65.45 54.35 60.44 64.66 55.29 59.43 66.60 54.29 58.27 66.33 53.31 3 0 31.12-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~C 93 61.40 65.39 53.39 61.40 66.10 52.69 63.20 64.34 54.73 63.48 63.31 55.32 62.33 64.26 53.48 63.17 64.40 52.20 3 0 32.65-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 94 63.59 65.55 55.15 63.35 66.30 54.53 63.46 65.29 57.65 63.96 64.60 58.55 64.31 65.72 56.43 64.81 67.16 56.59 3 0 36.03-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 95 62.18 65.70 57.67 61.92 66.27 56.89 61.04 63.84 58.77 60.91 63.26 59.83 61.24 65.35 58.73 59.83 66.00 58.53 3 0 34.67-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 96 61.01 63.21 57.61 61.08 63.80 56.81 62.10 61.05 58.22 62.04 59.86 58.50 60.90 61.76 57.55 60.80 61.31 56.10 2 0 33.13-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 97 63.18 61.80 58.47 63.07 62.76 58.20 64.71 61.89 60.42 65.87 61.98 60.84 64.40 61.24 59.08 65.60 61.42 58.15 2 0 36.82-999 ?-999 ?-999 ? O3 GOL A 303 mTRP~C 98 63.65 62.34 61.09 62.77 62.03 60.74 64.62 62.56 63.35 65.37 63.24 64.06 63.78 63.21 62.25 62.39 63.60 62.76 3 0 38.38-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 99 64.49 61.24 63.50 63.92 60.79 62.81 66.53 59.99 64.26 67.02 59.16 64.99 65.14 60.55 64.58 64.24 59.43 65.10 2 0 40.63-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 100 67.18 60.48 63.20 66.73 61.27 62.78 69.73 60.25 63.46 70.70 59.49 63.42 68.44 59.88 62.71 68.60 60.12 61.20 2 0 42.09-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 101 69.75 61.41 64.11 68.89 61.92 64.07 71.12 63.36 64.67 70.17 64.10 64.79 70.94 61.87 64.82-999.99-999.99-999.99 1 0 45.48-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 102 72.34 63.81 64.40 73.04 63.10 64.35 72.29 65.59 62.76 71.73 64.77 62.03 72.60 65.24 64.19-999.99-999.99-999.99 1 0 46.89-999 ?-999 ?-999 ? O3 GOL A 303 mMETC 103 72.62 66.82 62.37 72.91 67.41 63.12 72.93 66.19 59.96 72.10 65.78 59.18 72.56 67.27 60.96 73.58 68.34 60.71 2 0 45.56-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 104 74.20 65.80 59.97 74.73 66.19 60.72 73.92 63.62 58.88 73.52 63.20 57.78 74.77 64.89 58.99 76.26 64.57 59.32 3 0 46.15-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 105 73.62 63.04 60.04 73.98 63.52 60.84 71.50 61.98 59.45 71.07 61.10 58.71 72.84 61.83 60.15 72.63 61.46 61.62 2 0 44.62-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 106 70.85 63.12 59.70 71.35 63.76 60.28 69.56 63.60 57.63 68.71 63.08 56.91 69.53 63.38 59.15 68.84 64.57 59.87 3 0 41.43-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 107 70.51 64.40 57.15 71.13 64.79 57.83 70.85 63.34 54.95 70.25 63.12 53.91 70.57 64.63 55.72 71.59 65.69 55.38 2 0 40.97-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 108 71.72 62.49 55.48 72.08 62.74 56.38 70.98 60.26 54.79 70.72 59.58 53.81 72.10 61.27 54.77 73.38 60.68 55.34 2 0 41.58-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 109 70.29 60.19 55.92 70.58 60.81 56.64 68.04 59.69 55.15 67.35 58.86 54.54 69.20 59.25 56.05 68.77 59.15 57.53 2 0 39.36-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 110 67.85 61.00 55.06 68.44 61.53 55.67 67.18 61.30 52.69 66.26 61.01 51.93 66.88 61.60 54.16 66.81 63.13 54.39 2 0 36.61-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 111 68.46 61.33 52.31 69.10 61.59 53.02 68.42 59.55 50.64 67.94 59.21 49.56 68.83 61.00 50.92 70.34 61.16 50.73 2 0 37.14-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 112 68.63 58.72 51.65 68.92 59.15 52.50 66.97 56.94 51.30 66.64 56.15 50.42 68.42 57.28 51.51 69.03 56.52 52.69 2 0 36.84-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 113 66.10 57.55 52.10 66.51 58.11 52.82 64.26 58.04 50.58 63.28 57.62 49.97 64.68 57.41 51.91 63.92 58.02 53.08 2 0 33.51-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 114 64.99 59.05 50.12 65.74 59.35 50.72 65.01 58.60 47.75 64.28 58.44 46.76 64.68 59.62 48.83 65.36 60.97 48.59 3 0 32.46-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 115 66.08 57.84 48.00 66.54 58.02 48.87 65.57 55.64 46.99 65.55 54.91 46.00 66.50 56.83 47.03 67.90 56.36 47.31 2 0 33.69-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 116 64.80 55.42 48.05 64.91 56.10 48.78 62.44 54.67 47.89 61.55 53.86 48.13 63.90 54.28 48.11 64.01 53.55 49.46 2 0 31.68-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~C 117 62.20 55.91 47.47 62.97 56.54 47.51 60.54 55.49 45.71 61.39 54.79 45.14 60.86 56.26 46.99 60.69 57.76 46.66 2 0 28.28-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 118 59.32 55.66 45.23 58.71 56.22 45.78 58.34 56.12 43.08 58.30 57.31 43.47 58.94 55.03 43.97 57.98 53.86 44.26 2 0 25.79-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 119 57.85 55.76 41.90 57.87 54.77 41.73 56.13 57.53 41.50 55.90 58.69 41.16 57.35 56.76 40.95 57.13 56.13 39.54 3 0 23.63-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 120 55.38 56.87 42.38 55.72 55.95 42.56 54.53 58.66 43.87 53.78 59.65 43.91 54.18 57.45 43.03 53.47 56.39 43.86 2 0 20.77-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 121 55.69 58.61 44.49 56.14 57.72 44.47 56.40 60.98 44.22 55.97 62.12 44.57 56.26 59.77 45.15 57.58 59.40 45.85 2 0 23.36-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 122 56.96 60.74 43.03 57.20 59.78 42.86 55.85 62.36 41.64 55.66 63.56 41.49 57.19 61.82 42.06 57.94 61.30 40.82 2 0 23.87-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 123 54.89 61.47 41.44 55.12 60.52 41.64 52.89 62.76 42.00 52.35 63.83 41.67 53.60 61.91 40.95 52.74 60.72 40.49 3 0 20.24-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 124 52.97 62.35 43.27 53.43 61.46 43.38 53.07 64.52 44.41 52.37 65.55 44.45 52.42 63.16 44.37 52.58 62.45 45.70 2 0 20.06-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 125 54.41 64.55 44.33 54.86 63.66 44.35 54.65 66.67 43.04 54.42 67.88 43.15 55.13 65.83 44.24 56.68 65.63 44.22 3 0 23.31-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 126 54.56 66.03 41.88 54.82 65.06 41.92 52.76 67.33 40.90 52.54 68.53 40.58 54.13 66.71 40.66 54.10 65.74 39.47 3 0 22.14-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 127 51.85 66.55 41.48 52.17 65.62 41.66 50.54 68.19 42.83 49.75 69.13 42.74 50.51 67.04 41.82 49.59 65.93 42.35 2 0 19.19-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 128 51.47 68.13 43.79 52.05 67.32 43.77 52.09 70.45 44.11 51.64 71.56 44.40 51.58 69.19 44.78 52.49 68.75 45.94 2 0 21.80-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 129 53.03 70.25 43.19 53.33 69.30 43.09 52.43 72.07 41.66 52.24 73.27 41.85 53.57 71.36 42.40 54.65 70.91 41.41 3 0 24.09-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 130 51.67 71.32 40.86 51.93 70.36 40.86 49.59 72.69 40.90 49.16 73.77 40.48 50.56 71.87 40.06 49.82 70.75 39.32 2 0 21.75-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 131 49.29 72.19 42.10 49.79 71.35 42.31 48.79 74.12 43.60 48.00 75.06 43.76 48.34 72.79 43.03 48.09 71.82 44.18 3 0 21.13-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 132 50.08 74.19 43.91 50.60 73.38 43.63 50.97 76.50 43.63 51.21 77.61 44.10 50.69 75.33 44.58 51.98 74.88 45.24 2 0 24.85-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 133 50.94 76.24 42.32 50.85 75.27 42.11 49.83 78.23 41.29 49.19 78.42 40.26 51.04 77.29 41.30 51.21 76.69 39.90 2 0 25.96-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 143 46.02 70.02 31.68 45.81 70.97 31.44 47.40 68.07 31.10 48.47 67.63 31.55 46.33 68.64 32.04 45.06 67.77 32.00 2 0 17.73-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 144 47.10 68.11 29.80 46.28 68.67 29.62 49.36 67.36 28.95 49.97 66.30 28.80 47.85 67.44 28.73 47.57 68.14 27.40 3 0 19.65-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 145 49.94 68.49 29.33 49.30 69.22 29.55 51.93 67.73 30.51 52.59 66.73 30.21 51.38 68.62 29.41 51.73 70.04 29.65 2 0 22.54-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 146 51.63 68.08 31.77 51.16 68.96 31.85 51.42 65.79 32.73 52.02 64.84 33.23 51.96 67.22 32.92 51.49 67.86 34.27 2 0 21.14-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 147 50.33 65.64 31.97 49.89 66.50 31.71 50.95 63.48 30.89 51.16 62.33 31.26 49.84 64.32 31.55 48.63 64.44 30.64 2 0 18.65-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 148 51.67 64.07 29.94 51.40 65.02 29.75 53.97 63.06 30.11 54.60 62.01 29.99 52.76 63.37 29.24 53.19 64.13 27.97 2 0 21.84-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~C 149 54.32 64.01 30.98 53.78 64.85 30.89 55.02 62.69 32.94 55.81 61.76 33.14 55.38 63.83 31.97 55.64 65.15 32.71 2 0 23.31-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 150 53.81 62.78 33.48 53.33 63.63 33.28 53.35 60.33 33.67 53.74 59.38 34.33 53.23 61.72 34.30 51.76 62.06 34.60 2 0 20.23-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 151 53.02 60.22 32.39 52.70 61.06 31.97 54.55 58.38 31.70 54.71 57.17 31.96 53.13 58.95 31.67 52.70 59.17 30.23 2 0 20.57-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 152 55.56 59.23 31.45 55.27 60.18 31.32 57.50 58.43 32.74 58.24 57.46 32.89 56.96 58.79 31.38 57.88 59.85 30.75 2 0 24.27-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 153 57.13 59.24 33.73 56.67 60.07 33.42 56.85 57.50 35.51 57.59 56.67 36.04 57.39 58.90 35.14 56.87 60.01 36.09 3 0 23.83-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 154 55.57 57.27 35.19 55.11 58.03 34.75 55.64 54.93 34.68 56.12 53.98 35.27 54.92 56.01 35.45 53.45 56.08 35.03 2 0 21.41-999 ?-999 ?-999 ? O3 GOL A 303 mGLN~C 155 55.78 55.11 33.36 55.50 56.01 33.03 57.73 53.67 32.81 58.06 52.50 32.81 56.30 54.06 32.51 56.16 54.40 31.01 2 0 23.64-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 156 58.59 54.64 33.07 58.22 55.57 33.03 60.21 54.23 34.90 61.35 54.18 35.34 59.97 54.31 33.39 60.95 55.29 32.72 2 0 26.92-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 157 59.12 54.20 35.69 58.27 54.25 35.17 60.29 54.98 37.73 61.18 54.49 38.41 59.19 54.10 37.16 59.36 52.64 37.62 2 0 25.69-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 158 60.25 56.26 37.41 59.45 56.52 36.86 60.90 57.69 39.21 59.94 58.44 39.40 61.26 57.20 37.81 61.32 58.38 36.82 3 0 27.43-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 159 61.66 57.28 40.20 62.44 56.70 39.95 61.66 59.17 41.76 62.19 59.83 40.85 61.32 57.68 41.54 61.95 56.72 42.55 2 0 27.61-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 160 61.34 59.69 42.94 60.95 59.03 43.58 63.05 61.51 43.07 63.37 62.58 42.54 61.56 61.11 43.22 61.06 61.44 44.64 3 0 28.23-999 ?-999 ?-999 ? O3 GOL A 303 mTYR~C 161 63.94 60.65 43.54 63.55 59.78 43.87 65.88 61.02 42.15 66.69 61.88 41.82 65.34 60.95 43.57 66.06 59.88 44.38 3 0 31.98-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 162 65.38 60.12 41.31 64.70 59.51 41.74 65.29 61.19 39.07 66.01 61.69 38.20 65.76 60.01 39.91 65.25 58.69 39.34 2 0 31.99-999 ?-999 ?-999 ? O3 GOL A 303 mTRP~C 163 64.07 61.64 39.35 63.61 61.13 40.08 64.29 64.04 38.93 64.64 64.80 38.02 63.47 62.77 38.66 62.04 62.97 39.15 3 0 29.99-999 ?-999 ?-999 ? O3 GOL A 303 mMETC 164 64.64 64.21 40.19 64.30 63.50 40.81 66.79 65.28 39.96 67.33 66.32 39.60 65.42 65.33 40.62 65.56 65.33 42.16 2 0 32.46-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 165 67.33 64.07 39.76 66.77 63.30 40.07 68.68 64.53 37.76 69.76 64.84 37.23 68.64 63.94 39.15 69.08 62.48 39.10 2 0 35.29-999 ?-999 ?-999 ? O3 GOL A 303 mMETC 166 67.50 64.71 37.18 66.72 64.51 37.78 67.00 66.61 35.66 66.72 67.11 34.57 67.37 65.15 35.79 66.31 64.31 35.10 2 0 34.40-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 167 66.98 67.31 36.78 67.29 66.81 37.60 67.61 69.55 36.16 68.78 69.18 36.16 66.54 68.68 36.79 66.25 69.13 38.21 2 0 34.44-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~C 168 67.20 70.71 35.60 66.22 70.83 35.51 68.98 72.13 36.38 68.43 72.21 37.48 68.19 71.68 35.17 67.35 72.83 34.60 3 0 37.14-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 169 70.26 72.41 36.17 70.51 72.44 35.21 70.97 73.92 38.07 71.49 74.04 39.18 71.20 72.65 37.27 72.62 72.64 36.74 2 0 40.14-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 170 70.22 74.87 37.51 70.03 74.73 36.54 68.79 75.58 39.43 68.61 76.32 40.40 69.73 76.01 38.30 68.99 77.00 37.42 2 0 40.15-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 171 68.20 74.40 39.31 68.47 73.88 38.50 67.86 73.53 41.66 68.25 72.39 41.85 67.23 73.93 40.32 66.37 72.83 39.75 2 0 37.01-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 172 67.90 74.47 42.60 67.41 75.30 42.34 67.97 73.25 44.78 68.68 72.49 45.45 68.59 74.32 43.88 68.65 75.65 44.62 3 0 38.71-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 173 66.65 73.19 44.80 66.18 73.87 44.24 66.34 70.75 45.11 66.55 69.84 45.94 65.99 72.16 45.60 64.46 72.43 45.72 3 0 35.77-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 174 66.38 70.57 43.78 66.16 71.39 43.26 68.15 68.87 43.55 68.38 67.75 44.02 66.73 69.27 43.16 66.58 69.33 41.65 2 0 35.02-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 175 69.08 69.80 43.38 68.74 70.64 42.96 70.56 69.00 45.20 71.11 67.94 45.43 70.48 69.60 43.80 71.23 70.93 43.73 2 0 38.75-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 176 69.93 69.71 46.11 69.53 70.55 45.73 69.24 67.94 47.76 69.79 67.18 48.56 69.80 69.37 47.51 68.88 70.45 48.07 2 0 38.69-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 177 68.15 67.58 47.06 67.82 68.29 46.44 68.34 65.12 46.64 68.21 63.97 47.08 67.51 66.27 47.21 66.09 66.28 46.62 3 0 35.67-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 178 69.22 65.44 45.69 69.19 66.39 45.40 71.49 64.42 45.91 72.12 63.35 45.98 70.16 64.50 45.12 70.47 64.85 43.63 3 0 37.42-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 179 71.94 65.53 46.50 71.27 66.26 46.59 73.53 65.47 48.49 74.61 65.72 49.02 73.35 65.59 46.97 74.06 66.82 46.41 2 0 41.04-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 180 72.45 65.11 49.17 71.66 64.90 48.60 72.35 66.38 51.34 72.95 66.54 52.41 72.44 65.04 50.62-999.99-999.99-999.99 1 0 40.97-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 181 71.64 67.33 50.75 71.35 67.09 49.83 72.56 69.42 51.77 72.65 70.02 52.84 71.32 68.61 51.40 70.38 68.42 52.62 3 0 40.93-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 182 73.52 69.42 50.85 73.28 68.94 50.01 74.67 71.58 51.39 75.32 72.08 52.32 74.81 70.08 51.08 75.79 69.78 49.92 2 0 44.43-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 183 73.82 72.28 50.65 73.38 71.76 49.92 73.05 73.87 52.37 73.66 74.64 53.15 73.58 73.69 50.93 72.61 74.31 49.88 3 0 44.40-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 184 71.99 73.14 52.72 71.66 72.55 51.98 72.31 72.88 55.20 72.10 73.39 56.31 71.36 73.17 54.05 70.20 72.16 54.14 2 0 43.24-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 185 73.30 72.02 54.96 73.27 71.63 54.03 75.32 72.85 56.13 75.50 73.34 57.24 74.35 71.68 55.94 75.10 70.36 55.56 3 0 46.06-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 186 75.92 73.27 55.02 75.77 72.65 54.25 75.91 75.63 55.63 76.46 76.36 56.46 76.70 74.51 54.93 76.92 74.78 53.43 2 0 48.67-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 187 74.61 75.71 55.34 74.30 75.04 54.67 73.56 76.57 57.47 73.65 77.56 58.22 73.72 76.70 55.96-999.99-999.99-999.99 1 0 47.26-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 188 73.32 75.34 57.92 73.26 74.63 57.22 74.46 75.41 60.10 74.43 76.00 61.17 73.17 75.09 59.36 72.75 73.66 59.63 2 0 47.55-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 189 75.59 75.03 59.52 75.45 74.51 58.67 77.11 76.85 60.21 77.58 77.35 61.22 76.92 75.35 60.08 78.02 74.73 59.23 2 0 51.08-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 190 76.73 77.59 59.17 76.39 77.07 58.38 76.01 79.53 60.40 76.45 80.45 61.10 76.80 79.04 59.21 76.24 79.64 57.93 3 0 52.00-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 191 74.87 78.89 60.65 74.70 78.12 60.03 74.58 79.01 63.10 74.33 79.73 64.07 73.96 79.28 61.73 72.62 78.56 61.59 3 0 50.87-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 192 75.41 77.97 63.15 75.55 77.51 62.27 77.41 78.21 64.60 78.05 77.99 65.63 76.05 77.55 64.39 76.14 76.03 64.44 3 0 53.09-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 193 77.86 79.00 63.63 77.36 78.94 62.77 78.54 81.17 64.51 79.31 82.10 64.74 79.02 79.88 63.85 79.81 80.17 62.57 2 0 56.10-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 194 77.25 81.22 64.82 76.69 80.48 64.44 76.48 81.81 67.07 77.43 81.50 67.81 76.72 82.29 65.64 75.49 82.91 65.00 3 0 56.12-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 196 72.27 81.85 67.91 73.23 82.12 68.00 69.91 82.64 67.68 68.68 82.46 67.71 70.87 81.45 67.78 70.46 80.52 68.92 2 0 52.54-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 197 70.47 83.84 67.56 71.47 83.82 67.58 68.86 85.07 66.13 69.08 84.25 65.23 69.71 85.08 67.40 70.66 86.26 67.31 2 0 53.27-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 198 67.89 85.98 66.07 67.74 86.48 66.93 68.04 86.71 63.75 67.87 86.35 62.57 67.11 86.22 64.85-999.99-999.99-999.99 1 0 50.82-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 199 69.04 87.50 64.14 69.03 87.69 65.13 70.89 86.97 62.53 71.23 87.12 61.36 70.06 88.05 63.23 70.98 89.03 63.97 2 0 53.03-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 200 71.19 85.88 63.25 70.95 85.96 64.21 71.08 84.23 61.40 71.70 84.03 60.35 71.82 84.70 62.66 71.91 83.57 63.68 2 0 52.19-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 201 69.76 84.09 61.52 69.42 84.26 62.44 69.00 84.69 59.22 69.14 84.28 58.07 68.89 83.71 60.40 67.41 83.60 60.85 3 0 48.54-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 202 68.95 85.99 59.53 68.81 86.15 60.51 70.44 87.00 57.81 70.47 87.00 56.56 69.10 87.08 58.54 68.89 88.47 59.19 3 0 49.78-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 203 71.53 86.92 58.58 71.35 87.00 59.56 72.92 85.52 57.06 73.47 85.63 55.97 72.86 86.72 58.01 73.93 86.61 59.11 2 0 52.12-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 204 72.35 84.39 57.47 72.00 84.40 58.40 71.48 83.53 55.29 71.91 83.23 54.17 72.28 83.24 56.56 71.70 81.99 57.24 3 0 49.28-999 ?-999 ?-999 ? O3 GOL A 303 mTYR~C 205 70.30 84.13 55.47 70.06 84.32 56.42 70.27 85.22 53.32 70.34 84.79 52.16 69.46 84.45 54.35 68.21 85.21 54.81 3 0 47.01-999 ?-999 ?-999 ? O3 GOL A 303 mTYR~C 206 70.94 86.29 53.75 70.88 86.47 54.74 72.90 86.42 52.22 73.24 86.67 51.06 71.70 87.11 52.82 72.08 88.46 53.41 3 0 49.77-999 ?-999 ?-999 ? O3 GOL A 303 mHIS~C 207 73.54 85.54 52.98 73.17 85.43 53.90 74.17 83.96 51.32 74.72 83.98 50.21 74.69 84.82 52.46 75.34 83.97 53.56 3 0 50.74-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 208 73.07 83.26 51.60 72.74 83.36 52.54 72.02 83.25 49.42 72.30 82.87 48.28 72.40 82.42 50.62 71.18 81.70 51.23 3 0 47.14-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 209 71.42 84.40 49.69 71.34 84.62 50.66 72.05 85.66 47.65 71.79 85.80 46.45 70.94 85.27 48.63 70.32 86.52 49.26 3 0 47.08-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 210 73.27 85.83 48.14 73.35 85.66 49.13 75.22 85.05 46.75 76.19 85.27 46.03 74.40 86.22 47.30 75.33 87.17 48.06 2 0 50.13-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 211 74.84 83.83 47.10 74.05 83.79 47.70 74.84 82.06 45.41 75.47 81.62 44.48 75.55 82.65 46.61 75.69 81.60 47.70 2 0 49.06-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 212 73.51 82.04 45.45 73.09 82.61 46.15 71.62 82.00 43.85 70.72 82.50 44.56 72.78 81.24 44.50 72.20 80.02 45.19 3 0 45.69-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~C 213 71.64 82.08 42.51 72.44 81.70 42.06 69.24 81.93 42.06 69.17 80.72 41.81 70.53 82.70 41.77 70.95 82.55 40.30 3 0 44.32-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 214 68.24 82.61 42.60 68.42 83.58 42.76 66.25 81.50 41.66 65.86 82.32 40.84 66.98 81.96 42.92 66.09 82.86 43.74 2 0 41.09-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~C 215 66.07 80.19 41.50 66.37 79.61 42.26 64.07 80.30 40.05 63.71 80.53 38.91 65.45 79.70 40.28 65.39 78.18 40.49 3 0 38.36-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 216 63.31 80.53 41.12 63.71 80.21 41.98 62.17 82.64 40.46 61.28 83.14 39.79 62.03 81.21 41.01 61.35 81.28 42.39 3 0 36.57-999 ?-999 ?-999 ? O3 GOL A 303 mVAL~C 217 63.28 83.30 40.77 63.91 82.81 41.37 63.89 84.57 38.75 63.50 85.44 37.99 63.54 84.63 40.25 64.65 85.35 41.08 3 0 39.91-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 218 64.62 83.53 38.33 64.91 82.90 39.05 63.65 83.34 36.09 63.44 84.21 35.25 64.94 83.37 36.92 65.83 82.13 36.65 3 0 40.16-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 219 62.79 82.36 36.36 63.09 81.76 37.09 60.73 83.52 35.53 60.15 83.83 34.49 61.52 82.21 35.64 60.68 81.14 36.30 2 0 36.90-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 220 60.70 84.28 36.62 61.23 83.94 37.40 60.71 86.60 35.86 60.21 87.12 34.87 59.94 85.51 36.62 59.59 85.93 38.06 2 0 37.98-999 ?-999 ?-999 ? O3 GOL A 303 mMETC 221 61.94 86.89 36.29 62.29 86.24 36.96 63.77 87.76 34.78 64.21 88.65 34.06 62.70 88.05 35.81 63.38 88.75 36.99 2 0 41.76-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 222 64.24 86.51 34.74 63.82 85.88 35.39 66.58 85.85 34.50 66.78 86.25 35.65 65.29 86.16 33.79-999.99-999.99-999.99 1 0 42.50-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 223 67.46 85.13 33.82 67.21 84.96 32.86 69.55 85.80 34.91 70.11 85.74 36.00 68.68 84.64 34.42 69.46 83.76 33.43 2 0 44.07-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 224 69.62 86.85 34.10 69.04 86.79 33.29 70.02 88.78 35.60 70.81 89.09 36.49 70.48 88.00 34.38 70.57 88.92 33.16 2 0 47.55-999 ?-999 ?-999 ? O3 GOL A 303 mTYR~C 225 68.73 89.11 35.67 68.20 88.87 34.86 68.42 88.94 38.13 68.76 89.47 39.19 68.20 89.78 36.86 66.72 90.12 36.69 3 0 46.83-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 226 68.19 87.63 38.01 67.79 87.36 37.14 70.00 86.77 39.41 70.39 86.81 40.58 68.50 86.71 39.09 68.11 85.29 38.69 2 0 45.00-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 227 70.83 86.79 38.38 70.39 86.73 37.48 72.59 88.20 39.33 73.39 88.19 40.26 72.26 86.91 38.58 72.99 86.86 37.24 2 0 48.07-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 228 71.93 89.29 38.94 71.24 89.13 38.24 71.89 90.66 41.01 72.65 91.24 41.78 72.20 90.61 39.52 71.47 91.73 38.76 2 0 50.34-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 229 70.77 90.04 41.38 70.22 89.71 40.61 71.54 89.36 43.66 71.75 89.88 44.74 70.39 89.85 42.78 69.21 88.83 42.92 3 0 48.63-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~C 230 72.26 88.33 43.21 72.01 87.99 42.30 74.42 88.81 44.19 75.04 88.90 45.25 73.31 87.78 44.04 73.92 86.48 43.47 2 0 49.72-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 231 74.63 89.59 43.13 74.04 89.38 42.35 75.20 91.80 43.99 75.98 92.33 44.76 75.65 90.65 43.12 75.97 91.11 41.69 2 0 53.21-999 ?-999 ?-999 ? O3 GOL A 303 mTRP~C 232 73.93 92.17 43.89 73.41 91.73 43.16 73.55 92.69 46.26 73.96 93.46 47.12 73.38 93.15 44.83 71.92 93.44 44.54 3 0 53.24-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 233 73.26 91.41 46.48 73.04 90.89 45.66 74.67 90.78 48.41 74.84 91.20 49.55 73.27 90.81 47.80 72.65 89.41 47.77 2 0 52.07-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 234 75.66 90.27 47.69 75.41 89.92 46.78 77.41 91.68 48.69 77.82 91.88 49.83 77.02 90.26 48.26 78.07 89.60 47.36 2 0 54.72-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 235 77.17 92.65 47.81 76.76 92.33 46.96 76.56 94.74 49.07 76.89 95.80 49.59 77.48 94.07 48.06 77.49 94.87 46.76 2 0 57.36-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 236 75.40 94.14 49.34 75.24 93.30 48.82 74.76 94.07 51.66 74.35 92.96 51.94 74.46 94.69 50.32 73.00 94.44 49.91 2 0 55.93-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 237 75.46 94.81 52.51 75.50 95.78 52.27 75.70 94.82 55.01 75.86 94.19 56.06 76.11 94.20 53.67 77.62 94.26 53.44 2 0 57.60-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~C 238 75.16 96.03 54.96 75.16 96.44 54.04 73.08 96.55 56.22 72.44 96.18 55.23 74.61 96.71 56.14 74.98 98.22 56.16 2 0 58.83-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 239 72.50 96.85 57.39 73.14 97.11 58.11 70.24 97.69 56.61 69.22 97.26 56.07 71.04 96.79 57.57 70.67 97.08 59.02 2 0 56.93-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 240 70.68 98.93 56.40 71.51 99.17 56.92 70.22 99.47 54.00 69.31 99.62 53.18 70.00 99.85 55.47 70.39 101.31 55.72 2 0 57.76-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 241 71.42 98.99 53.68 72.08 99.01 54.43 70.78 97.33 51.97 70.31 97.22 50.82 71.71 98.49 52.33 73.17 98.04 52.22 2 0 57.06-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 242 70.54 96.46 52.94 71.00 96.68 53.81 68.19 95.68 52.74 67.39 95.04 52.05 69.68 95.31 52.76 70.00 94.23 53.79 2 0 53.58-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 243 67.82 96.74 53.47 68.56 97.15 54.02 66.14 97.87 52.10 65.02 97.73 51.58 66.45 97.25 53.45 66.21 98.25 54.57 2 0 53.09-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 244 67.12 98.54 51.52 67.94 98.66 52.09 66.85 97.89 49.19 65.90 97.84 48.41 66.98 99.07 50.17 68.16 99.98 49.81 2 0 53.98-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 245 67.78 96.95 49.24 68.50 97.13 49.91 66.35 95.04 48.42 65.82 94.65 47.38 67.72 95.75 48.39 68.86 94.79 48.74 3 0 51.62-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 246 65.78 94.89 49.62 66.34 95.20 50.38 63.38 95.10 49.02 62.58 94.53 48.28 64.44 94.31 49.79 64.07 94.25 51.27 2 0 48.74-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 247 63.40 96.42 49.20 64.09 96.74 49.85 62.66 97.27 47.01 61.69 97.36 46.27 62.48 97.32 48.53 62.67 98.75 49.03 2 0 49.60-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 248 63.90 97.13 46.56 64.60 97.16 47.28 63.48 95.69 44.61 62.72 95.76 43.65 64.18 96.94 45.14 65.69 96.86 44.87 2 0 49.77-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 249 63.75 94.55 45.26 64.46 94.64 45.95 61.53 93.43 44.99 60.86 93.04 44.04 63.06 93.29 44.97 63.51 92.22 45.97 3 0 46.23-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 250 61.00 94.02 46.05 61.67 94.27 46.76 59.00 95.18 45.08 57.90 94.93 44.57 59.57 94.27 46.18 59.26 94.85 47.56 3 0 45.07-999 ?-999 ?-999 ? O3 GOL A 303 mLYS~C 251 59.73 96.24 44.73 60.56 96.34 45.28 59.31 96.39 42.30 58.33 96.49 41.56 59.35 97.15 43.63 60.34 98.32 43.49 2 0 46.97-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 252 60.38 95.66 42.02 61.11 95.71 42.70 59.48 93.68 40.81 59.00 93.26 39.76 60.47 94.87 40.80 61.90 94.40 40.58 2 0 45.52-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 253 59.17 93.16 41.99 59.60 93.61 42.77 59.01 90.68 41.98 58.44 89.70 41.47 58.28 92.01 42.10-999.99-999.99-999.99 1 0 42.00-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 254 60.26 90.64 42.44 60.58 91.52 42.78 61.17 88.87 43.86 61.70 89.52 44.76 61.07 89.44 42.45 62.46 89.73 41.91 2 0 41.74-999 ?-999 ?-999 ? O3 GOL A 303 mASN~C 255 60.70 87.64 44.02 60.40 87.21 43.16 61.60 85.83 45.43 61.44 84.80 44.78 60.61 86.99 45.31 59.17 86.52 45.54 2 0 39.99-999 ?-999 ?-999 ? O3 GOL A 303 mPRO~C 256 62.64 86.00 46.28 62.64 86.85 46.80 63.21 83.82 47.28 63.93 83.45 48.22 63.67 84.97 46.39 64.83 85.70 47.06 3 0 40.92-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 257 62.04 83.27 46.95 61.62 83.69 46.15 62.28 80.90 47.98 62.17 80.31 49.06 61.44 82.15 47.68-999.99-999.99-999.99 1 0 37.73-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~C 258 63.10 80.48 47.01 63.08 81.03 46.18 65.01 79.57 48.25 65.38 78.65 48.99 63.94 79.31 47.19 64.65 78.95 45.90 2 0 37.81-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 259 65.51 80.80 48.29 65.14 81.43 47.61 65.94 81.08 50.72 66.65 80.70 51.65 66.51 81.18 49.28 67.10 82.60 48.95 3 0 41.40-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 260 64.65 81.43 50.85 64.26 81.80 50.01 63.62 79.86 52.45 63.67 79.50 53.63 63.88 81.30 52.08 62.53 82.04 51.96 2 0 40.26-999 ?-999 ?-999 ? O3 GOL A 303 mASP~C 261 63.31 79.02 51.46 63.20 79.47 50.58 64.50 76.95 52.21 64.51 76.17 53.15 63.16 77.56 51.70 62.70 76.83 50.43 2 0 37.53-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 262 65.62 77.34 51.59 65.47 77.97 50.82 67.31 77.39 53.40 67.85 76.66 54.19 66.93 76.87 52.02 67.99 77.15 50.97 3 0 40.32-999 ?-999 ?-999 ? O3 GOL A 303 mTHR~C 263 66.95 78.64 53.70 66.61 79.16 52.92 66.26 78.30 56.09 66.80 77.88 57.12 67.06 79.16 55.07 66.63 80.64 55.12 2 0 42.61-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 264 65.00 78.01 55.78 64.70 78.42 54.92 64.76 75.75 56.85 64.74 75.19 57.93 64.16 77.15 56.65 62.80 77.03 56.07 2 0 40.05-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 265 65.27 75.21 55.77 65.15 75.78 54.96 67.13 73.88 56.73 67.21 72.98 57.58 65.94 73.94 55.76 66.45 73.72 54.35 2 0 39.64-999 ?-999 ?-999 ? O3 GOL A 303 mSER~C 266 68.03 74.85 56.59 67.85 75.46 55.82 68.79 75.17 58.94 69.45 74.63 59.84 69.18 75.02 57.48 69.96 76.28 57.09 2 0 43.45-999 ?-999 ?-999 ? O3 GOL A 303 mILE~C 267 67.75 75.96 59.17 67.35 76.38 58.35 66.94 74.80 61.18 67.43 74.50 62.29 67.24 76.17 60.53 65.99 77.11 60.53 3 0 43.79-999 ?-999 ?-999 ? O3 GOL A 303 mPHE~C 268 66.19 73.97 60.45 65.96 74.29 59.53 66.93 71.76 61.33 66.89 71.14 62.37 65.76 72.68 60.98 64.77 71.97 60.07 3 0 41.55-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 269 67.93 71.66 60.45 67.77 72.16 59.60 69.95 71.47 61.89 70.53 70.73 62.67 69.15 70.89 60.75 70.08 70.72 59.52 3 0 43.53-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 270 69.97 72.80 61.99 69.47 73.28 61.27 70.02 73.23 64.45 70.72 72.94 65.44 70.69 73.47 63.08 70.82 74.97 62.80 2 0 46.76-999 ?-999 ?-999 ? O3 GOL A 303 mLEU~C 271 68.69 73.32 64.48 68.29 73.65 63.62 68.12 71.55 66.04 68.35 71.22 67.21 67.88 72.99 65.65 66.39 73.18 65.35 3 0 45.88-999 ?-999 ?-999 ? O3 GOL A 303 mALA~C 272 68.07 70.69 65.04 67.84 71.10 64.17 69.77 69.08 65.77 70.00 68.24 66.65 68.35 69.27 65.22 68.19 68.54 63.90 2 0 44.90-999 ?-999 ?-999 ? O3 GOL A 303 mGLU~C 273 70.71 69.87 65.27 70.39 70.51 64.57 72.25 70.20 67.16 73.10 69.68 67.87 72.10 69.77 65.72 73.04 70.60 64.84 2 0 48.24-999 ?-999 ?-999 ? O3 GOL A 303 mGLY~C 274 71.42 71.15 67.58 70.71 71.40 66.93 72.09 73.14 68.68 73.30 73.35 68.65 71.56 71.75 68.89-999.99-999.99-999.99 1 0 50.17-999 ?-999 ?-999 ? O3 GOL A 303 mTRP~C 275 71.17 74.08 68.50 70.23 73.75 68.63 71.32 76.37 69.35 70.26 76.97 69.54 71.49 75.45 68.15 70.61 75.92 66.98 3 0 50.83-999 ?-999 ?-999 ? O3 GOL A 303 mARG~C 276 72.38 76.48 70.14 73.17 75.94 69.86 73.33 78.50 71.20 73.32 79.22 70.19 72.35 77.34 71.34 72.63 76.52 72.63 2 0 54.00-999 ?-999 ?-999 ? O3 GOL A 303