HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-MAY-05 1ZKE COMPND HYPOTHETICAL PROTEIN HP1531; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 GENE: GI:15646139; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,T.SKARINA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MG B 801 1 HET MG C 802 1 HET MG D 803 1 HET MG E 804 1 SITE 1 AC1 3 SER B 29 HOH B 824 HOH B 965 SITE 1 AC2 3 HOH A 116 GLY C 31 HOH C 871 SITE 1 AC3 2 LYS A 74 HOH E 884 mMET~A 1 16.78 49.01 -8.93 16.01 49.41 -9.43 18.88 49.45 -7.59 19.34 49.30 -6.45 17.92 48.41 -8.19 18.70 47.48 -9.10 2 0 5.96-999 ?-999 ?-999 ? MG MG C 802 mPHE~A 2 19.19 50.49 -8.35 18.74 50.52 -9.24 19.56 52.30 -6.71 20.32 52.77 -5.85 20.13 51.49 -7.87 20.60 52.39 -9.02 3 0 7.62-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 3 18.24 52.43 -6.67 17.78 52.10 -7.50 17.76 52.15 -4.27 18.08 52.69 -3.19 17.52 53.01 -5.53 16.02 53.09 -5.84 2 0 9.20-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 4 17.61 50.84 -4.43 17.35 50.58 -5.35 19.26 49.88 -2.84 19.50 49.89 -1.63 17.81 49.87 -3.34 17.43 48.45 -3.78 2 0 10.59-999 ?-999 ?-999 ? MG MG C 802 mILE~A 5 20.21 49.89 -3.77 19.87 49.84 -4.71 21.96 51.27 -2.65 22.62 51.23 -1.61 21.64 49.98 -3.42 22.56 49.87 -4.67 3 0 11.84-999 ?-999 ?-999 ? MG MG C 802 mARG~A 6 21.51 52.41 -3.17 20.96 52.31 -4.00 21.30 53.77 -1.09 21.97 54.33 -0.22 21.81 53.69 -2.52 21.32 54.86 -3.37 2 0 13.47-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 7 20.12 53.21 -0.85 19.67 52.83 -1.66 20.42 52.27 1.41 20.70 52.65 2.56 19.55 53.15 0.50 18.10 52.65 0.46 2 0 15.23-999 ?-999 ?-999 ? MG MG C 802 mILE~A 8 20.84 51.12 0.90 20.55 50.94 -0.03 23.04 50.87 2.01 23.53 50.79 3.14 21.69 50.22 1.70 21.84 48.82 1.05 3 0 16.53-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 9 23.63 51.54 1.02 23.12 51.53 0.16 24.80 53.29 2.31 25.72 53.44 3.12 24.90 52.22 1.22 25.41 52.87 -0.08 3 0 17.74-999 ?-999 ?-999 ? MG MG C 802 mALA~A 10 23.68 54.02 2.33 23.05 53.81 1.58 23.35 54.38 4.74 23.90 54.91 5.71 23.42 55.04 3.36 22.15 55.81 3.07 2 0 19.59-999 ?-999 ?-999 ? MG MG C 802 mASP~A 11 22.68 53.23 4.81 22.28 52.94 3.94 23.89 51.90 6.54 24.12 51.81 7.75 22.56 52.46 6.06 21.54 51.34 5.93 2 0 21.15-999 ?-999 ?-999 ? MG MG C 802 mILE~A 12 24.75 51.50 5.60 24.39 51.55 4.67 26.94 52.15 6.51 27.61 51.97 7.54 26.09 51.02 5.93 26.78 50.33 4.72 3 0 22.24-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 13 26.90 53.33 5.88 26.35 53.34 5.05 27.16 54.79 7.83 28.01 55.00 8.70 27.60 54.50 6.40 27.36 55.73 5.51 2 0 23.90-999 ?-999 ?-999 ? MG MG C 802 mASP~A 14 25.85 54.79 8.07 25.29 54.60 7.27 25.78 53.98 10.39 26.20 54.31 11.50 25.30 55.04 9.41 23.77 55.06 9.38 2 0 25.67-999 ?-999 ?-999 ? MG MG C 802 mSER~A 15 25.73 52.72 9.98 25.40 52.60 9.04 27.63 51.72 11.23 27.99 51.57 12.41 26.15 51.62 10.84 25.82 50.26 10.19 2 0 26.75-999 ?-999 ?-999 ? MG MG C 802 mGLN~A 16 28.50 52.01 10.26 28.08 52.04 9.35 30.12 53.40 11.52 30.96 53.28 12.41 29.91 52.27 10.52 30.64 52.65 9.23 2 0 28.20-999 ?-999 ?-999 ? MG MG C 802 mASN~A 17 29.39 54.50 11.34 28.76 54.45 10.56 29.16 55.28 13.66 29.85 55.67 14.59 29.51 55.65 12.22 28.67 56.84 11.75 2 0 30.04-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 18 28.08 54.50 13.81 27.63 54.26 12.96 28.70 53.17 15.78 29.02 53.35 16.96 27.63 54.04 15.13 26.35 53.23 15.00 2 0 31.55-999 ?-999 ?-999 ? MG MG C 802 mILE~A 19 29.23 52.22 15.02 28.87 52.18 14.08 31.51 52.08 15.95 32.06 51.83 17.02 30.25 51.31 15.54 30.61 50.19 14.54 3 0 32.69-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 20 31.95 53.02 15.11 31.42 53.13 14.27 32.91 54.59 16.74 33.83 54.70 17.56 33.13 53.80 15.45 33.53 54.75 14.33 2 0 34.23-999 ?-999 ?-999 ? MG MG C 802 mMET~A 21 31.71 55.13 16.90 31.08 54.97 16.15 31.41 54.99 19.35 31.99 55.34 20.38 31.39 55.90 18.11 30.02 56.59 17.98 2 0 36.06-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 22 30.79 53.83 19.23 30.36 53.69 18.33 32.15 52.37 20.68 32.46 52.21 21.86 30.75 52.87 20.32 29.85 51.69 19.96 3 0 37.35-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 23 32.98 52.11 19.67 32.58 52.22 18.76 35.17 52.81 20.60 35.96 52.54 21.50 34.37 51.70 19.92 35.06 51.26 18.63 3 0 38.49-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 24 34.96 54.05 20.16 34.34 54.10 19.38 35.22 55.30 22.25 36.09 55.43 23.11 35.60 55.21 20.77 35.19 56.49 20.05 2 0 40.12-999 ?-999 ?-999 ? MG MG B 801 mLEU~A 25 33.92 55.21 22.52 33.34 55.11 21.72 33.96 54.12 24.74 34.34 54.34 25.89 33.41 55.25 23.88 31.88 55.26 23.91 3 0 36.33-999 ?-999 ?-999 ? MG MG B 801 mALA~A 26 34.01 52.91 24.17 33.66 52.89 23.23 36.05 51.69 25.01 36.57 50.90 25.80 34.52 51.73 24.86 34.01 50.45 24.18 2 0 36.13-999 ?-999 ?-999 ? MG MG B 801 mASN~A 27 36.75 52.52 24.25 36.17 53.14 23.71 38.77 51.20 23.73 39.63 50.59 24.38 38.23 52.55 24.19 38.86 52.98 25.52 2 0 38.78-999 ?-999 ?-999 ? MG MG B 801 mLEU.A 28 38.24 50.76 22.60 37.65 51.42 22.14 38.63 49.54 20.56 37.90 50.31 19.92 38.50 49.43 22.07 37.31 48.55 22.42 3 0 40.88-999 ?-999 ?-999 ? MG MG B 801 mSER~A 29 39.55 48.78 19.98 40.16 48.30 20.61 38.60 47.63 18.02 38.20 46.74 18.78 39.61 48.67 18.52 41.03 48.28 18.06 2 0 40.06-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 30 38.19 47.74 16.76 38.54 48.54 16.28 37.91 45.35 16.25 37.23 44.39 16.60 37.30 46.74 16.16 36.97 47.08 14.71 3 0 36.87-999 ?-999 ?-999 ? MG MG C 802 mGLY~A 31 39.21 45.27 15.94 39.61 46.13 15.64 39.90 43.39 17.41 39.61 42.20 17.56 39.96 44.01 16.02-999.99-999.99-999.99 1 0 38.64-999 ?-999 ?-999 ? MG MG C 802 mASP~A 32 40.17 44.21 18.43 40.42 45.14 18.16 38.68 43.30 20.19 38.50 42.30 20.87 40.10 43.74 19.82 40.63 44.79 20.80 2 0 41.74-999 ?-999 ?-999 ? MG MG C 802 mPHE~A 33 37.66 44.05 19.75 37.93 44.87 19.24 36.01 42.25 19.51 35.49 41.39 20.24 36.28 43.66 20.03 35.28 44.64 19.42 3 0 39.84-999 ?-999 ?-999 ? MG MG C 802 mILE~A 34 36.36 42.01 18.25 36.75 42.80 17.77 36.95 39.59 18.40 36.41 38.52 18.67 36.17 40.69 17.65 36.53 40.71 16.14 3 0 38.33-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 35 38.20 39.87 18.77 38.51 40.78 18.50 38.44 38.56 20.89 38.56 37.43 21.39 39.01 38.88 19.50 40.47 39.35 19.60 2 0 41.78-999 ?-999 ?-999 ? MG MG C 802 mILE~A 36 37.82 39.55 21.52 37.80 40.43 21.03 35.92 38.54 22.67 35.69 37.57 23.41 37.21 39.34 22.82 36.97 40.69 23.55 3 0 41.89-999 ?-999 ?-999 ? MG MG B 801 mLYS~A 37 35.09 38.94 21.71 35.40 39.74 21.20 34.02 36.76 21.07 33.18 35.93 21.44 33.83 38.24 21.44 33.06 38.94 20.32 2 0 40.98-999 ?-999 ?-999 ? MG MG C 802 mARG~A 38 35.09 36.45 20.36 35.69 37.23 20.17 36.01 34.22 20.99 36.22 33.03 20.80 35.34 35.07 19.91 36.22 35.06 18.66 2 0 41.35-999 ?-999 ?-999 ? MG MG C 802 mGLY.A 39 36.37 34.84 22.11 36.19 35.82 22.12 38.49 34.03 23.21 39.08 33.40 24.08 36.97 34.10 23.23-999.99-999.99-999.99 1 0 43.57-999 ?-999 ?-999 ? MG MG B 801 mSER.A 40 39.14 34.70 22.25 38.54 35.23 21.65 41.41 35.61 22.95 42.55 35.32 23.32 40.61 34.62 22.11 41.02 34.75 20.64 2 0 45.92-999 ?-999 ?-999 ? MG MG C 802 mMET.A 41 40.82 36.76 23.25 39.88 36.83 22.93 40.77 38.06 25.30 39.54 38.14 25.31 41.51 37.82 23.99 41.54 39.09 23.13 2 0 44.04-999 ?-999 ?-999 ? MG MG B 801 mASP.A 42 41.51 38.15 26.40 42.48 37.91 26.27 40.43 39.99 27.59 41.02 40.80 26.87 40.93 38.55 27.69 41.97 38.46 28.81 2 0 40.86-999 ?-999 ?-999 ? MG MG B 801 mMET.A 43 39.33 40.31 28.29 38.87 39.53 28.71 40.00 42.51 28.99 40.48 42.18 30.07 38.86 41.69 28.40 37.66 41.82 29.34 2 0 37.95-999 ?-999 ?-999 ? MG MG B 801 mPRO.A 44 40.45 43.56 28.27 40.04 43.71 27.38 40.92 45.12 30.07 39.71 45.38 30.12 41.49 44.41 28.85 41.79 45.42 27.74 3 0 38.61-999 ?-999 ?-999 ? MG MG B 801 mLYS.A 45 41.75 45.41 31.06 42.67 45.03 30.99 41.13 47.67 31.64 41.88 48.13 30.76 41.28 46.24 32.15 42.15 46.14 33.41 2 0 35.86-999 ?-999 ?-999 ? MG MG B 801 mGLY.A 46 40.12 48.35 32.16 39.64 47.89 32.90 38.51 49.59 30.84 37.66 50.49 30.92 39.77 49.67 31.67-999.99-999.99-999.99 1 0 34.49-999 ?-999 ?-999 ? MG MG B 801 mVAL.A 47 38.38 48.53 30.05 39.09 47.83 30.15 35.99 48.03 29.81 35.93 47.04 30.54 37.28 48.43 29.10 37.60 47.48 27.92 3 0 34.78-999 ?-999 ?-999 ? MG MG B 801 mASN~A 48 34.94 48.81 29.57 35.14 49.60 28.99 32.91 47.53 29.24 32.48 47.88 28.14 33.64 48.54 30.13 32.82 49.83 30.25 2 0 31.71-999 ?-999 ?-999 ? MG MG B 801 mGLU~A 49 32.77 46.31 29.75 33.17 46.19 30.65 30.60 45.57 28.73 29.97 44.92 27.89 32.08 45.25 29.02 32.23 43.90 29.73 2 0 32.44-999 ?-999 ?-999 ? MG MG B 801 mALA~A 50 30.04 46.55 29.44 30.65 47.01 30.08 28.33 47.42 27.84 27.17 47.42 27.43 28.64 46.90 29.25 28.18 47.90 30.32 2 0 30.11-999 ?-999 ?-999 ? MG MG B 801 mPHE~A 51 29.36 47.87 27.12 30.22 47.89 27.62 28.99 47.15 24.75 28.57 47.37 23.61 29.21 48.30 25.72 30.47 49.04 25.24 3 0 33.16-999 ?-999 ?-999 ? MG MG B 801 mPHE~A 52 29.28 45.93 25.21 29.43 45.87 26.20 28.03 44.40 23.67 28.00 43.99 22.52 29.35 44.79 24.29 30.06 43.61 24.95 3 0 35.24-999 ?-999 ?-999 ? MG MG B 801 mTHR~A 53 26.93 44.55 24.41 27.08 44.90 25.33 25.30 45.06 22.64 24.97 44.54 21.58 25.63 44.20 23.85 24.50 44.30 24.90 2 0 34.42-999 ?-999 ?-999 ? MG MG B 801 mGLN~A 54 25.41 46.38 22.80 25.70 46.67 23.71 26.08 47.13 20.54 25.66 47.13 19.37 25.11 47.29 21.70 25.12 48.75 22.18 2 0 35.53-999 ?-999 ?-999 ? MG MG B 801 mLEU~A 55 27.38 47.01 20.85 27.58 47.08 21.82 28.08 45.54 19.00 28.11 45.56 17.77 28.39 46.79 19.81 29.79 46.69 20.40 3 0 35.88-999 ?-999 ?-999 ? MG MG C 802 mSER~A 56 27.75 44.46 19.71 27.75 44.59 20.70 26.23 43.37 18.11 26.28 42.93 16.95 27.42 43.19 19.04 27.13 42.09 20.07 2 0 35.26-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 57 25.18 44.04 18.59 25.29 44.37 19.53 24.29 45.10 16.55 23.80 44.80 15.45 23.99 44.26 17.79 22.88 44.90 18.63 2 0 32.91-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 58 25.11 46.14 16.72 25.46 46.26 17.65 26.31 46.29 14.58 26.10 46.44 13.37 25.43 47.02 15.60 26.08 48.33 16.04 2 0 30.92-999 ?-999 ?-999 ? MG MG C 802 mVAL~A 59 27.28 45.51 15.06 27.36 45.52 16.05 27.27 43.71 13.37 27.47 43.52 12.16 28.13 44.72 14.15 29.30 44.02 14.90 3 0 30.78-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 60 26.31 43.08 14.05 26.28 43.29 15.02 24.57 42.93 12.30 24.35 42.40 11.20 25.39 42.18 13.35 24.49 41.42 14.33 2 0 29.54-999 ?-999 ?-999 ? MG MG C 802 mARG~A 61 24.16 44.15 12.61 24.39 44.45 13.54 24.30 45.24 10.39 23.81 45.10 9.25 23.44 44.98 11.63 22.93 46.29 12.26 2 0 26.80-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 62 25.56 45.59 10.60 25.82 45.66 11.56 26.64 44.63 8.59 26.62 44.73 7.36 26.48 45.86 9.49 27.85 46.33 10.01 3 0 25.75-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 63 26.80 43.47 9.22 26.83 43.55 10.22 25.66 41.94 7.66 25.76 41.58 6.48 26.91 42.20 8.49 27.18 41.05 9.47 2 0 25.77-999 ?-999 ?-999 ? MG MG C 802 mGLU~A 64 24.49 42.16 8.26 24.58 42.48 9.21 23.02 42.92 6.41 22.48 42.52 5.37 23.20 41.96 7.59 22.03 42.13 8.57 2 0 23.67-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 65 23.48 44.16 6.57 23.89 44.34 7.46 24.26 44.76 4.30 23.85 44.88 3.14 23.38 45.15 5.49 23.76 46.54 5.99 3 0 21.02-999 ?-999 ?-999 ? MG MG C 802 mILE~A 66 25.48 44.31 4.60 25.69 44.30 5.58 25.80 42.65 2.84 25.85 42.56 1.61 26.39 43.87 3.54 27.82 43.59 4.07 3 0 20.91-999 ?-999 ?-999 ? MG MG C 802 mASN~A 67 25.22 41.74 3.61 25.30 41.91 4.59 23.36 41.02 2.11 23.17 40.47 1.02 24.53 40.60 3.01 24.06 39.62 4.09 2 0 20.71-999 ?-999 ?-999 ? MG MG C 802 mALA~A 68 22.60 42.01 2.56 22.88 42.38 3.44 21.87 43.16 0.48 21.21 43.00 -0.56 21.45 42.50 1.79 20.61 43.45 2.64 2 0 17.79-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 69 22.99 43.89 0.54 23.38 43.98 1.45 23.98 43.42 -1.66 23.72 43.54 -2.86 23.57 44.50 -0.66 24.79 45.35 -0.28 3 0 15.88-999 ?-999 ?-999 ? MG MG C 802 mASN~A 70 24.61 42.36 -1.16 24.79 42.39 -0.18 23.79 40.57 -2.67 23.85 40.15 -3.83 24.99 41.27 -2.04 25.86 40.25 -1.31 2 0 16.81-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 71 22.69 40.46 -1.92 22.78 40.79 -0.98 20.94 40.71 -3.67 20.52 40.16 -4.70 21.47 39.88 -2.50 20.40 39.66 -1.43 2 0 15.62-999 ?-999 ?-999 ? MG MG C 802 mILE~A 72 21.00 42.03 -3.56 21.34 42.36 -2.67 21.52 42.66 -5.85 21.05 42.51 -6.99 20.60 42.90 -4.66 20.63 44.40 -4.25 3 0 12.00-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 73 22.82 42.59 -5.58 23.03 42.74 -4.62 23.58 41.03 -7.39 23.95 40.95 -8.56 23.84 42.32 -6.59 25.22 42.29 -5.94 2 0 12.71-999 ?-999 ?-999 ? MG MG C 802 mLYS~A 74 22.93 40.04 -6.78 22.72 40.21 -5.81 21.75 39.07 -8.75 21.80 38.30 -9.72 22.59 38.80 -7.50 21.91 37.80 -6.57 2 0 -13.84-999 ?-999 ?-999 ? MG MG C 802s mGLY~A 75 21.00 40.17 -8.74 21.01 40.66 -7.87 21.09 41.08 -11.07 20.60 41.19 -12.20 20.22 40.62 -9.91-999.99-999.99-999.99 1 0 10.33-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 76 22.37 41.34 -10.81 22.62 41.23 -9.84 24.11 40.58 -12.43 24.88 40.75 -13.38 23.32 41.74 -11.85 24.32 42.77 -11.32 3 0 10.70-999 ?-999 ?-999 ? MG MG C 802 mLEU~A 77 23.93 39.39 -11.85 23.32 39.38 -11.06 23.98 37.85 -13.71 22.77 37.95 -13.89 24.60 38.22 -12.37 24.47 37.04 -11.40 3 0 14.08-999 ?-999 ?-999 ? MG MG C 802 mVAL.A 78 24.84 37.45 -14.63 25.80 37.57 -14.38 24.90 35.46 -15.90 26.11 35.20 -15.77 24.38 36.89 -15.88 24.85 37.72 -17.10 3 0 15.11-999 ?-999 ?-999 ? MG MG C 802 mPHE.A 79 23.97 34.52 -16.02 23.05 34.89 -16.13 24.83 32.62 -14.66 25.50 31.59 -14.60 24.27 33.08 -16.01 25.24 32.68 -17.14 3 0 18.30-999 ?-999 ?-999 ? MG MG C 802 mGLY.A 80 24.55 33.38 -13.61 23.95 34.16 -13.83 26.49 33.58 -12.00 27.10 33.19 -11.00 25.07 33.09 -12.27-999.99-999.99-999.99 1 0 18.59-999 ?-999 ?-999 ? MG MG C 802 mSER.A 81 27.02 34.43 -12.88 26.41 34.65 -13.64 28.42 36.50 -12.93 27.50 37.10 -13.47 28.37 34.98 -12.71 29.35 34.29 -13.66 2 0 18.95-999 ?-999 ?-999 ? MG MG C 802 mHIS~B 0 42.81 31.05 45.35 42.66 30.19 45.84 41.77 33.15 44.69 41.54 33.83 45.70 43.04 32.31 44.61 43.40 32.00 43.16 3 0 37.09-999 ?-999 ?-999 ? MG MG B 801 mMET~B 1 40.92 33.06 43.66 41.18 32.37 42.98 38.82 33.76 44.77 38.39 34.76 45.36 39.73 33.91 43.56 38.94 33.65 42.26 2 0 34.00-999 ?-999 ?-999 ? MG MG B 801 mPHE~B 2 38.54 32.52 45.15 39.02 31.80 44.66 38.10 32.70 47.59 37.32 33.17 48.42 37.58 32.28 46.21 37.08 30.85 46.19 3 0 32.67-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 3 39.40 32.57 47.82 39.91 32.12 47.08 39.85 34.58 49.16 39.54 35.12 50.23 40.00 33.06 49.06 41.48 32.69 49.16 2 0 33.30-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 4 40.08 35.26 48.03 40.33 34.69 47.25 38.52 37.14 48.21 38.27 38.12 48.92 39.96 36.72 47.97 40.44 37.26 46.62 2 0 31.32-999 ?-999 ?-999 ? MG MG B 801 mILE~B 5 37.58 36.41 47.63 37.93 35.65 47.07 35.76 36.52 49.27 35.10 37.39 49.86 36.16 36.72 47.80 35.27 35.86 46.87 3 0 28.40-999 ?-999 ?-999 ? MG MG B 801 mARG~B 6 36.16 35.40 49.86 36.69 34.79 49.27 36.30 36.23 52.20 35.58 36.61 53.13 35.82 35.12 51.25 36.33 33.74 51.66 2 0 28.49-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 7 37.50 36.76 51.95 37.97 36.36 51.16 37.19 39.09 52.65 36.89 39.75 53.66 38.06 37.83 52.78 39.51 38.11 52.38 2 0 28.41-999 ?-999 ?-999 ? MG MG B 801 mILE~B 8 36.80 39.41 51.42 37.15 38.82 50.70 34.56 40.38 51.88 34.03 41.34 52.45 35.92 40.55 51.20 35.78 40.88 49.70 3 0 25.33-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 9 34.00 39.17 51.84 34.53 38.47 51.34 32.81 39.17 53.99 31.91 39.77 54.58 32.71 38.93 52.49 32.17 37.53 52.22 3 0 23.53-999 ?-999 ?-999 ? MG MG B 801 mALA~B 10 33.90 38.70 54.59 34.52 38.20 53.99 34.26 40.43 56.31 33.72 40.92 57.30 34.14 38.93 56.01 35.39 38.17 56.48 2 0 24.53-999 ?-999 ?-999 ? MG MG B 801 mASP~B 11 34.93 41.16 55.42 35.29 40.65 54.64 33.79 43.36 55.47 33.54 44.34 56.19 35.11 42.60 55.62 36.16 43.15 54.66 2 0 23.30-999 ?-999 ?-999 ? MG MG B 801 mILE~B 12 32.96 42.91 54.53 33.33 42.17 53.98 30.77 43.30 55.62 30.13 44.25 56.06 31.62 43.49 54.35 30.91 42.92 53.10 3 0 19.85-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 13 30.81 42.11 56.22 31.35 41.42 55.74 30.59 42.87 58.55 29.77 43.47 59.27 30.10 41.89 57.47 30.26 40.44 57.95 2 0 19.66-999 ?-999 ?-999 ? MG MG B 801 mASP~B 14 31.91 43.06 58.63 32.45 42.54 57.98 32.02 45.41 59.37 31.65 46.11 60.31 32.48 43.97 59.63 34.01 43.90 59.63 2 0 20.84-999 ?-999 ?-999 ? MG MG B 801 mSER~B 15 32.06 45.83 58.11 32.41 45.16 57.46 30.14 47.40 58.10 29.77 48.45 58.66 31.61 47.17 57.74 31.84 47.40 56.23 2 0 18.36-999 ?-999 ?-999 ? MG MG B 801 mGLN~B 16 29.29 46.42 57.80 29.71 45.64 57.34 27.66 46.69 59.64 26.88 47.53 60.08 27.87 46.52 58.13 27.13 45.28 57.66 2 0 15.38-999 ?-999 ?-999 ? MG MG B 801 mASN~B 17 28.36 45.88 60.42 28.92 45.21 59.93 28.67 47.38 62.40 27.97 47.94 63.28 28.29 45.98 61.89 29.14 44.88 62.53 2 0 17.13-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 18 29.72 47.97 61.83 30.18 47.41 61.13 29.08 50.35 61.90 28.72 51.19 62.73 30.16 49.32 62.23 31.45 49.70 61.52 2 0 17.61-999 ?-999 ?-999 ? MG MG B 801 mILE~B 19 28.58 50.27 60.67 28.97 49.55 60.09 26.28 51.08 61.10 25.71 52.10 61.49 27.53 51.20 60.23 27.19 50.99 58.74 3 0 14.06-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 20 25.90 49.85 61.44 26.48 49.11 61.08 24.87 50.32 63.64 23.93 50.97 64.13 24.72 49.63 62.28 24.42 48.14 62.44 2 0 13.06-999 ?-999 ?-999 ? MG MG B 801 mMET~B 21 26.05 50.21 64.24 26.73 49.66 63.74 26.22 52.38 65.39 25.61 53.06 66.21 26.28 50.85 65.53 27.61 50.44 66.13 2 0 15.89-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 22 26.86 52.91 64.34 27.32 52.25 63.75 25.45 54.90 63.92 25.10 55.93 64.48 26.86 54.36 64.11 27.74 54.73 62.90 3 0 15.14-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 23 24.64 54.21 63.11 25.07 53.40 62.70 22.41 54.58 64.13 21.57 55.46 64.36 23.25 54.64 62.86 22.58 53.77 61.79 3 0 11.58-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 24 22.62 53.53 64.93 23.28 52.86 64.60 22.27 54.67 66.99 21.38 55.40 67.49 21.92 53.41 66.20 22.35 52.17 66.97 2 0 13.28-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 25 23.56 54.97 67.08 24.18 54.44 66.49 23.50 57.40 67.52 23.16 58.26 68.32 23.96 56.03 68.02 25.47 56.03 68.23 3 0 16.06-999 ?-999 ?-999 ? MG MG B 801 mALA~B 26 23.49 57.56 66.19 23.74 56.74 65.68 21.61 59.03 65.51 21.14 60.14 65.31 23.13 58.84 65.56 23.70 58.90 64.16 2 0 14.32-999 ?-999 ?-999 ? MG MG B 801 mASN~B 27 20.89 57.92 65.65 21.44 57.10 65.80 18.86 58.31 64.25 17.97 59.16 64.15 19.43 57.90 65.60 18.81 58.75 66.72 2 0 12.22-999 ?-999 ?-999 ? MG MG B 801 mLEU.B 28 19.39 57.71 63.20 20.24 57.21 63.38 18.92 56.54 61.11 19.74 55.69 61.45 18.74 57.81 61.89 19.18 59.03 61.07 3 0 8.83-999 ?-999 ?-999 ? MG MG B 801 mSER~B 29 18.11 56.39 60.07 17.44 57.12 59.93 19.31 55.45 58.17 19.72 56.59 57.90 18.22 55.22 59.21 16.90 54.95 58.49 2 0 -5.59-999 ?-999 ?-999 ? MG MG B 801s mLEU~B 30 19.75 54.36 57.56 19.37 53.49 57.87 20.19 55.33 55.34 20.90 56.17 54.79 20.74 54.49 56.50 21.20 53.12 55.99 3 0 6.19-999 ?-999 ?-999 ? MG MG B 801 mGLY~B 31 18.92 55.10 54.99 18.45 54.39 55.51 18.27 57.34 54.24 18.50 58.18 53.36 18.31 55.87 53.89-999.99-999.99-999.99 1 0 4.21-999 ?-999 ?-999 ? MG MG B 801 mASP~B 32 17.98 57.66 55.50 17.76 56.87 56.08 19.35 59.67 55.78 19.49 60.76 55.21 17.98 59.05 55.99 17.63 59.14 57.48 2 0 6.13-999 ?-999 ?-999 ? MG MG B 801 mPHE~B 33 20.38 58.97 56.24 20.12 58.12 56.71 22.07 59.71 54.58 22.59 60.78 54.25 21.76 59.43 56.04 22.74 58.39 56.60 3 0 8.96-999 ?-999 ?-999 ? MG MG B 801 mILE~B 34 21.72 58.78 53.69 21.26 57.98 54.07 21.28 60.18 51.71 21.86 60.99 50.97 22.02 58.96 52.27 21.72 57.68 51.49 3 0 9.26-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 35 20.01 60.36 52.09 19.66 59.67 52.72 19.78 62.84 52.14 19.74 63.86 51.43 19.24 61.51 51.61 17.75 61.37 51.93 2 0 9.45-999 ?-999 ?-999 ? MG MG B 801 mILE~B 36 20.31 62.84 53.36 20.24 61.97 53.86 22.21 64.37 53.10 22.44 65.53 52.71 20.94 64.05 53.89 21.25 63.91 55.39 3 0 11.92-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 37 23.02 63.35 52.83 22.74 62.48 53.24 23.92 64.00 50.59 24.73 64.69 49.97 24.23 63.52 52.01 25.04 62.22 51.93 2 0 13.82-999 ?-999 ?-999 ? MG MG B 801 mARG~B 38 22.76 63.60 50.08 22.22 63.03 50.70 21.67 65.36 48.70 21.33 65.84 47.62 22.32 63.98 48.73 21.31 62.96 48.22 2 0 14.07-999 ?-999 ?-999 ? MG MG B 801 mGLY.B 39 21.48 65.97 49.87 21.78 65.44 50.66 19.35 67.32 49.91 18.72 68.38 49.91 20.88 67.31 49.98-999.99-999.99-999.99 1 0 15.56-999 ?-999 ?-999 ? MG MG B 801 mSER.B 40 18.75 66.14 49.83 19.35 65.34 49.89 16.53 66.17 50.99 15.40 66.66 51.00 17.30 66.08 49.67 16.88 64.83 48.89 2 0 13.52-999 ?-999 ?-999 ? MG MG B 801 mMET.B 41 17.16 65.75 52.09 18.07 65.39 51.90 17.34 66.79 54.30 18.58 66.74 54.32 16.56 65.80 53.44 16.63 64.40 54.09 2 0 12.12-999 ?-999 ?-999 ? MG MG B 801 mASP.B 42 16.65 67.68 55.02 15.67 67.68 54.85 17.98 67.72 57.06 17.43 66.67 57.42 17.34 68.57 55.98 16.36 69.52 56.67 2 0 14.90-999 ?-999 ?-999 ? MG MG B 801 mMET.B 43 19.11 68.16 57.61 19.53 68.95 57.15 18.60 67.69 59.89 18.22 68.83 60.18 19.66 67.51 58.80 21.02 68.13 59.19 2 0 14.92-999 ?-999 ?-999 ? MG MG B 801 mPRO.B 44 18.08 66.58 60.46 18.45 65.71 60.11 17.61 67.43 62.71 18.80 67.32 63.03 17.07 66.65 61.51 16.82 65.18 61.86 3 0 14.46-999 ?-999 ?-999 ? MG MG B 801 mLYS.B 45 16.75 68.23 63.35 15.83 68.22 62.97 17.83 68.23 65.59 18.82 68.68 66.19 17.15 69.05 64.49 15.95 69.83 65.06 2 0 18.00-999 ?-999 ?-999 ? MG MG B 801 mGLY.B 46 17.32 67.02 65.84 16.59 66.76 65.21 18.99 65.27 66.60 19.42 64.48 67.44 17.81 66.18 66.93-999.99-999.99-999.99 1 0 17.35-999 ?-999 ?-999 ? MG MG B 801 mVAL.B 47 19.50 65.38 65.38 19.07 66.08 64.80 21.91 65.32 64.97 21.96 66.46 64.51 20.61 64.53 64.95 20.33 63.93 63.55 3 0 15.66-999 ?-999 ?-999 ? MG MG B 801 mASN~B 48 22.95 64.70 65.52 22.73 63.79 65.88 25.08 65.07 64.29 25.51 63.94 64.00 24.28 65.29 65.59 25.02 64.76 66.81 2 0 18.20-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 49 25.28 66.13 63.51 24.91 66.99 63.88 27.45 65.55 62.37 28.07 65.09 61.40 26.00 66.02 62.22 25.93 67.33 61.42 2 0 18.01-999 ?-999 ?-999 ? MG MG B 801 mALA~B 50 28.00 65.63 63.58 27.43 66.05 64.28 29.50 63.63 63.49 30.60 63.19 63.17 29.35 65.12 63.81 29.79 65.39 65.25 2 0 20.39-999 ?-999 ?-999 ? MG MG B 801 mPHE~B 51 28.41 62.87 63.58 27.62 63.35 63.94 28.72 61.25 61.69 29.13 60.17 61.27 28.43 61.43 63.18 27.08 60.75 63.48 3 0 17.60-999 ?-999 ?-999 ? MG MG B 801 mPHE~B 52 28.47 62.29 60.90 28.24 63.14 61.36 29.95 61.84 58.93 30.13 61.18 57.90 28.54 62.11 59.44 27.90 63.29 58.71 3 0 16.63-999 ?-999 ?-999 ? MG MG B 801 mTHR~B 53 30.96 62.30 59.66 30.70 62.81 60.47 32.63 60.54 59.20 33.00 59.99 58.15 32.33 62.04 59.23 33.35 62.78 60.11 2 0 19.81-999 ?-999 ?-999 ? MG MG B 801 mGLN~B 54 32.45 59.87 60.33 32.14 60.42 61.11 31.70 57.62 59.58 32.08 56.63 58.95 32.71 58.43 60.40 32.73 57.92 61.84 2 0 19.27-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 55 30.42 58.02 59.58 30.22 58.81 60.17 29.82 57.35 57.29 29.72 56.34 56.59 29.44 57.31 58.76 28.03 57.88 58.94 3 0 15.53-999 ?-999 ?-999 ? MG MG B 801 mSER~B 56 30.25 58.52 56.83 30.29 59.26 57.50 31.83 57.76 55.11 31.84 57.07 54.08 30.64 58.66 55.42 30.98 60.10 55.08 2 0 16.59-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 57 32.83 57.76 56.00 32.68 58.36 56.78 33.65 55.45 55.75 34.15 54.71 54.90 34.03 56.93 55.81 35.04 57.18 56.93 2 0 19.52-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 58 32.76 55.02 56.63 32.39 55.72 57.23 31.55 53.19 55.49 31.72 52.09 54.94 32.39 53.61 56.69 31.69 53.23 58.00 2 0 17.72-999 ?-999 ?-999 ? MG MG B 801 mVAL~B 59 30.63 54.07 55.08 30.57 54.89 55.64 30.69 53.73 52.64 30.49 52.86 51.78 29.82 53.80 53.90 28.66 54.82 53.75 3 0 15.11-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 60 31.68 54.62 52.56 31.69 55.30 53.29 33.47 53.25 51.47 33.70 52.67 50.40 32.67 54.56 51.46 33.62 55.76 51.51 2 0 18.28-999 ?-999 ?-999 ? MG MG B 801 mARG~B 61 33.86 52.77 52.66 33.65 53.36 53.44 33.65 50.34 52.24 34.10 49.46 51.48 34.54 51.48 52.76 34.98 51.20 54.19 2 0 20.06-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 62 32.37 50.36 52.64 32.14 51.11 53.26 31.27 49.35 50.67 31.31 48.29 50.04 31.42 49.35 52.20 30.07 49.54 52.89 3 0 17.52-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 63 31.10 50.54 50.09 31.01 51.29 50.73 32.32 50.14 47.97 32.24 49.41 46.96 31.06 50.69 48.63 30.89 52.17 48.26 2 0 17.82-999 ?-999 ?-999 ? MG MG B 801 mGLU~B 64 33.48 50.47 48.53 33.40 51.03 49.35 34.91 48.48 47.99 35.45 47.87 47.06 34.76 50.00 47.96 35.96 50.61 48.68 2 0 21.58-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 65 34.43 47.86 49.07 34.05 48.48 49.76 33.60 45.72 48.15 34.02 44.75 47.52 34.47 46.40 49.21 34.02 45.96 50.61 3 0 21.89-999 ?-999 ?-999 ? MG MG B 801 mILE~B 66 32.39 46.24 47.96 32.17 47.02 48.55 32.10 45.88 45.55 32.06 44.98 44.70 31.50 45.68 46.94 30.07 46.25 47.07 3 0 20.34-999 ?-999 ?-999 ? MG MG B 801 mASN~B 67 32.71 47.05 45.32 32.63 47.71 46.07 34.56 46.34 43.82 34.75 45.87 42.69 33.42 47.31 44.07 33.93 48.75 44.04 2 0 22.63-999 ?-999 ?-999 ? MG MG B 801 mALA~B 68 35.32 46.04 44.88 35.08 46.53 45.71 35.89 43.69 44.35 36.51 43.02 43.51 36.41 45.06 44.79 37.16 44.96 46.12 2 0 25.54-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 69 34.74 43.30 44.89 34.36 43.95 45.54 33.64 42.03 43.10 33.80 41.05 42.36 34.11 42.03 44.55 32.93 41.80 45.49 3 0 25.02-999 ?-999 ?-999 ? MG MG B 801 mASN~B 70 33.07 43.15 42.68 33.00 43.88 43.36 33.79 43.20 40.34 33.67 42.64 39.24 32.61 43.27 41.31 31.80 44.57 41.14 2 0 24.91-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 71 34.94 43.72 40.76 34.89 44.12 41.67 36.68 42.28 39.80 37.10 41.87 38.72 36.15 43.71 39.94 37.21 44.64 40.52 2 0 28.11-999 ?-999 ?-999 ? MG MG B 801 mILE~B 72 36.66 41.53 40.90 36.33 42.01 41.71 36.20 39.32 39.93 36.69 38.47 39.16 37.09 40.13 40.88 37.08 39.51 42.30 3 0 29.83-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 73 34.90 39.63 39.96 34.67 40.36 40.60 34.20 39.08 37.61 33.80 38.24 36.80 33.92 38.94 39.12 32.52 39.45 39.48 2 0 29.07-999 ?-999 ?-999 ? MG MG B 801 mLYS~B 74 34.91 40.15 37.24 35.14 40.78 37.98 36.16 39.21 35.30 36.17 38.93 34.09 35.30 40.36 35.84 36.03 41.69 35.69 2 0 31.22-999 ?-999 ?-999 ? MG MG B 801 mGLY~B 75 36.86 38.52 36.20 36.78 38.85 37.14 36.85 36.16 35.37 37.42 35.18 34.89 37.67 37.36 35.82-999.99-999.99-999.99 1 0 34.18-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 76 35.53 36.22 35.55 35.22 37.06 35.99 33.88 35.43 33.83 33.03 34.62 33.41 34.62 35.14 35.15 33.58 34.88 36.24 3 0 33.80-999 ?-999 ?-999 ? MG MG B 801 mLEU~B 77 34.19 36.56 33.20 34.86 37.13 33.67 34.02 35.89 30.85 35.17 35.44 30.85 33.60 36.90 31.91 34.04 38.29 31.44 3 0 34.34-999 ?-999 ?-999 ? MG MG B 801 mVAL.B 78 33.09 35.55 29.97 32.19 35.92 30.19 32.74 35.41 27.60 31.56 35.74 27.63 33.38 34.72 28.80 32.83 33.27 28.96 3 0 37.47-999 ?-999 ?-999 ? MG MG B 801 mPHE.B 79 33.53 35.63 26.55 34.43 35.22 26.64 32.66 37.81 25.78 31.84 38.44 25.08 33.09 36.41 25.37 31.92 35.74 24.62 3 0 39.02-999 ?-999 ?-999 ? MG MG B 801 mGLY.B 80 33.17 38.28 26.91 33.81 37.65 27.35 31.50 39.67 28.18 31.02 40.78 28.49 32.83 39.61 27.44-999.99-999.99-999.99 1 0 35.96-999 ?-999 ?-999 ? MG MG B 801 mSER.B 81 30.91 38.51 28.49 31.44 37.71 28.21 29.65 37.55 30.40 30.50 36.65 30.53 29.61 38.44 29.17 28.52 37.92 28.22 2 0 33.61-999 ?-999 ?-999 ? MG MG B 801 mMET~C 1 39.94 48.32 8.54 40.75 48.70 8.98 37.77 48.85 7.40 37.29 48.81 6.27 38.73 47.75 7.88 37.98 46.79 8.81 2 0 31.50-999 ?-999 ?-999 ? MG MG C 802 mPHE~C 2 37.51 49.81 8.28 38.06 49.77 9.11 36.92 51.86 6.96 36.07 52.36 6.21 36.50 50.84 8.02 36.13 51.55 9.32 3 0 30.04-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 3 38.22 52.15 6.93 38.75 51.75 7.68 38.58 52.31 4.52 38.17 52.97 3.56 38.80 52.98 5.88 40.29 53.23 6.14 2 0 30.43-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 4 38.81 51.01 4.47 39.15 50.62 5.32 37.13 50.23 2.80 36.85 50.42 1.61 38.59 50.21 3.25 39.07 48.77 3.44 2 0 28.40-999 ?-999 ?-999 ? MG MG C 802 mILE~C 5 36.21 50.04 3.75 36.59 49.88 4.66 34.36 51.44 2.91 33.69 51.51 1.88 34.78 50.08 3.45 33.92 49.67 4.68 3 0 25.58-999 ?-999 ?-999 ? MG MG C 802 mARG~C 6 34.78 52.51 3.58 35.32 52.29 4.40 34.88 54.17 1.71 34.13 54.80 0.98 34.47 53.87 3.15 35.06 54.90 4.11 2 0 25.56-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 7 36.08 53.72 1.33 36.59 53.27 2.06 35.68 53.09 -1.01 35.30 53.60 -2.07 36.57 53.87 -0.04 38.01 53.38 -0.15 2 0 25.28-999 ?-999 ?-999 ? MG MG C 802 mILE~C 8 35.36 51.85 -0.65 35.73 51.56 0.23 33.15 51.63 -1.74 32.64 51.63 -2.87 34.53 51.01 -1.51 34.45 49.56 -1.00 3 0 22.40-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 9 32.55 52.18 -0.68 33.05 52.06 0.18 31.35 54.05 -1.77 30.44 54.25 -2.58 31.27 52.88 -0.79 30.76 53.36 0.57 3 0 20.47-999 ?-999 ?-999 ? MG MG C 802 mALA~C 10 32.44 54.81 -1.70 33.08 54.55 -0.98 32.82 55.45 -4.05 32.24 56.03 -4.99 32.65 55.94 -2.61 33.85 56.78 -2.18 2 0 21.26-999 ?-999 ?-999 ? MG MG C 802 mASP~C 11 33.59 54.38 -4.23 34.03 54.06 -3.39 32.47 53.18 -6.11 32.25 53.24 -7.33 33.77 53.74 -5.54 34.83 52.63 -5.48 2 0 20.23-999 ?-999 ?-999 ? MG MG C 802 mILE~C 12 31.62 52.61 -5.25 31.95 52.54 -4.31 29.45 53.30 -6.19 28.84 53.20 -7.25 30.30 52.14 -5.69 29.56 51.33 -4.60 3 0 16.81-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 13 29.43 54.42 -5.46 29.94 54.39 -4.60 29.18 56.06 -7.30 28.37 56.39 -8.17 28.67 55.58 -5.94 28.63 56.72 -4.91 2 0 16.32-999 ?-999 ?-999 ? MG MG C 802 mASP~C 14 30.51 56.07 -7.49 31.04 55.77 -6.69 30.69 55.52 -9.88 30.32 55.97 -10.98 31.10 56.48 -8.77 32.63 56.53 -8.69 2 0 17.63-999 ?-999 ?-999 ? MG MG C 802 mSER~C 15 30.74 54.22 -9.58 31.03 54.03 -8.65 28.92 53.30 -10.97 28.59 53.19 -12.15 30.39 53.18 -10.55 30.68 51.80 -9.96 2 0 15.42-999 ?-999 ?-999 ? MG MG C 802 mGLN~C 16 28.05 53.52 -9.98 28.45 53.55 -9.07 26.37 54.89 -11.17 25.60 54.79 -12.13 26.63 53.70 -10.25 25.85 53.87 -8.95 2 0 12.20-999 ?-999 ?-999 ? MG MG C 802 mASN~C 17 27.01 56.02 -10.86 27.55 55.97 -10.03 27.38 56.98 -13.15 26.75 57.44 -14.10 26.90 57.22 -11.71 27.64 58.40 -11.06 2 0 13.83-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 18 28.49 56.26 -13.29 28.91 55.98 -12.43 28.05 55.06 -15.41 27.81 55.29 -16.60 29.04 55.93 -14.60 30.38 55.22 -14.43 2 0 14.85-999 ?-999 ?-999 ? MG MG C 802 mILE~C 19 27.48 54.06 -14.74 27.79 53.95 -13.79 25.19 53.97 -15.73 24.64 53.78 -16.83 26.47 53.19 -15.36 26.17 51.96 -14.47 3 0 11.49-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 20 24.74 54.85 -14.84 25.28 54.93 -14.01 23.71 56.49 -16.37 22.80 56.62 -17.19 23.52 55.64 -15.13 23.10 56.49 -13.92 2 0 10.14-999 ?-999 ?-999 ? MG MG C 802 mMET~C 21 24.91 57.04 -16.51 25.54 56.84 -15.76 25.22 57.03 -18.95 24.63 57.45 -19.96 25.25 57.87 -17.66 26.65 58.41 -17.47 2 0 13.41-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 22 25.87 55.87 -18.90 26.31 55.69 -18.02 24.53 54.51 -20.46 24.20 54.49 -21.65 25.92 54.96 -20.05 26.82 53.75 -19.75 3 0 13.24-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 23 23.71 54.16 -19.48 24.13 54.16 -18.57 21.52 54.98 -20.34 20.73 54.78 -21.25 22.32 53.81 -19.74 21.64 53.31 -18.46 3 0 9.99-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 24 21.73 56.19 -19.81 22.34 56.21 -19.02 21.51 57.55 -21.84 20.66 57.76 -22.71 21.09 57.36 -20.38 21.42 58.60 -19.54 2 0 11.79-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 25 22.80 57.45 -22.12 23.38 57.27 -21.33 22.75 56.52 -24.40 22.42 56.79 -25.55 23.30 57.61 -23.48 24.83 57.63 -23.52 3 0 14.91-999 ?-999 ?-999 ? MG MG C 802 mALA~C 26 22.63 55.30 -23.88 22.88 55.24 -22.92 20.63 54.09 -24.84 20.14 53.33 -25.68 22.16 54.15 -24.67 22.67 52.83 -24.06 2 0 13.58-999 ?-999 ?-999 ? MG MG C 802 mASN~C 27 19.91 54.89 -24.06 20.47 55.55 -23.56 17.95 53.44 -23.55 17.08 52.84 -24.19 18.44 54.83 -23.95 17.73 55.33 -25.22 2 0 11.98-999 ?-999 ?-999 ? MG MG C 802 mLEU.C 28 18.53 52.92 -22.47 19.16 53.55 -22.01 18.13 51.59 -20.49 18.85 52.31 -19.81 18.28 51.57 -22.01 19.48 50.70 -22.39 3 0 8.96-999 ?-999 ?-999 ? MG MG C 802 mSER~C 29 17.19 50.81 -19.96 16.57 50.37 -20.62 18.15 49.60 -18.09 18.57 48.77 -18.89 17.12 50.65 -18.51 15.71 50.25 -18.05 2 0 5.17-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 30 18.56 49.66 -16.83 18.21 50.43 -16.30 18.85 47.25 -16.40 19.53 46.30 -16.77 19.47 48.64 -16.30 19.82 48.95 -14.84 3 0 4.47-999 ?-999 ?-999 ? MG MG C 802 mGLY~C 31 17.55 47.17 -16.10 17.16 48.03 -15.79 16.84 45.37 -17.62 17.11 44.18 -17.80 16.78 45.94 -16.22-999.99-999.99-999.99 1 0 -4.19-999 ?-999 ?-999 ? MG MG C 802s mASP~C 32 16.62 46.22 -18.62 16.40 47.15 -18.32 18.11 45.35 -20.40 18.28 44.30 -21.03 16.70 45.80 -20.03 16.15 46.88 -20.96 2 0 7.20-999 ?-999 ?-999 ? MG MG C 802 mPHE~C 33 19.14 46.10 -19.97 18.87 46.92 -19.47 20.77 44.26 -19.76 21.33 43.43 -20.48 20.53 45.69 -20.22 21.54 46.64 -19.55 3 0 8.73-999 ?-999 ?-999 ? MG MG C 802 mILE~C 34 20.38 43.97 -18.52 19.97 44.73 -18.02 19.71 41.59 -18.77 20.23 40.56 -19.10 20.53 42.63 -17.99 20.24 42.60 -16.46 3 0 9.10-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 35 18.45 41.91 -19.09 18.17 42.81 -18.75 18.16 40.70 -21.27 17.98 39.61 -21.81 17.59 41.00 -19.88 16.18 41.59 -20.03 2 0 10.37-999 ?-999 ?-999 ? MG MG C 802 mILE~C 36 18.86 41.68 -21.84 18.93 42.51 -21.30 20.74 40.69 -23.07 20.96 39.77 -23.87 19.46 41.50 -23.17 19.72 42.87 -23.85 3 0 12.69-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 37 21.57 41.02 -22.08 21.27 41.79 -21.53 22.62 38.81 -21.55 23.46 37.99 -21.91 22.82 40.29 -21.84 23.58 40.91 -20.67 2 0 13.90-999 ?-999 ?-999 ? MG MG C 802 mARG~C 38 21.53 38.49 -20.86 20.93 39.27 -20.67 20.58 36.30 -21.55 20.38 35.09 -21.40 21.23 37.12 -20.44 20.35 37.12 -19.18 2 0 14.81-999 ?-999 ?-999 ? MG MG C 802 mGLY.C 39 20.24 36.96 -22.65 20.43 37.94 -22.61 18.11 36.24 -23.80 17.50 35.73 -24.75 19.63 36.28 -23.80-999.99-999.99-999.99 1 0 14.44-999 ?-999 ?-999 ? MG MG D 803 mSER.C 40 17.48 36.77 -22.76 18.10 37.19 -22.09 15.23 37.77 -23.43 14.06 37.53 -23.75 16.01 36.75 -22.63 15.61 36.88 -21.15 2 0 15.28-999 ?-999 ?-999 ? MG MG C 802 mMET.C 41 15.85 38.90 -23.72 16.80 38.94 -23.40 16.00 40.25 -25.70 17.23 40.27 -25.66 15.21 39.99 -24.43 15.20 41.24 -23.54 2 0 14.11-999 ?-999 ?-999 ? MG MG C 802 mASP.C 42 15.31 40.41 -26.82 14.33 40.23 -26.74 16.51 42.24 -27.90 15.94 43.08 -27.19 15.96 40.83 -28.05 14.99 40.81 -29.25 2 0 11.68-999 ?-999 ?-999 ? MG MG D 803 mMET.C 43 17.62 42.48 -28.58 18.07 41.65 -28.92 17.01 44.69 -29.34 16.50 44.43 -30.42 18.15 43.81 -28.81 19.22 43.69 -29.89 2 0 13.07-999 ?-999 ?-999 ? MG MG D 803 mPRO.C 44 16.60 45.73 -28.59 17.04 45.85 -27.69 16.16 47.35 -30.32 17.35 47.69 -30.29 15.57 46.60 -29.14 15.26 47.57 -27.99 3 0 14.97-999 ?-999 ?-999 ? MG MG D 803 mLYS.C 45 15.39 47.58 -31.37 14.47 47.18 -31.38 15.94 49.86 -32.03 15.07 50.30 -31.27 15.98 48.39 -32.42 15.45 48.09 -33.83 2 0 14.95-999 ?-999 ?-999 ? MG MG D 803 mGLY.C 46 16.92 50.60 -32.50 17.49 50.15 -33.20 18.24 51.94 -30.99 18.91 52.95 -30.81 17.14 51.94 -32.03-999.99-999.99-999.99 1 0 18.42-999 ?-999 ?-999 ? MG MG D 803 mVAL.C 47 18.44 50.81 -30.31 17.83 50.06 -30.54 20.83 50.35 -29.97 20.90 49.37 -30.72 19.51 50.74 -29.31 19.17 49.78 -28.14 3 0 16.09-999 ?-999 ?-999 ? MG MG C 802 mASN~C 48 21.86 51.12 -29.67 21.64 51.89 -29.06 23.89 49.82 -29.34 24.32 50.13 -28.22 23.19 50.86 -30.19 24.00 52.16 -30.21 2 0 18.11-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 49 24.03 48.61 -29.87 23.64 48.52 -30.79 26.15 47.79 -28.81 26.73 47.12 -27.94 24.69 47.51 -29.15 24.56 46.18 -29.93 2 0 17.60-999 ?-999 ?-999 ? MG MG D 803 mALA~C 50 26.77 48.76 -29.50 26.22 49.19 -30.21 28.34 49.56 -27.72 29.44 49.44 -27.18 28.15 49.11 -29.18 28.69 50.17 -30.14 2 0 19.76-999 ?-999 ?-999 ? MG MG C 802 mPHE~C 51 27.28 50.07 -27.08 26.47 50.17 -27.66 27.55 49.28 -24.73 27.97 49.47 -23.58 27.33 50.46 -25.66 26.02 51.14 -25.23 3 0 16.62-999 ?-999 ?-999 ? MG MG C 802 mPHE~C 52 27.28 48.07 -25.20 27.07 48.03 -26.18 28.70 46.58 -23.79 28.83 46.07 -22.68 27.31 46.92 -24.30 26.63 45.72 -24.96 3 0 15.76-999 ?-999 ?-999 ? MG MG C 802 mTHR~C 53 29.73 46.89 -24.56 29.49 47.31 -25.44 31.46 47.38 -22.85 31.87 46.77 -21.84 31.10 46.61 -24.12 32.14 46.88 -25.24 2 0 18.64-999 ?-999 ?-999 ? MG MG C 802 mGLN~C 54 31.29 48.69 -22.88 30.96 49.07 -23.75 30.58 49.23 -20.56 30.98 49.19 -19.40 31.57 49.50 -21.69 31.62 50.99 -22.02 2 0 17.64-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 55 29.30 49.09 -20.89 29.09 49.20 -21.86 28.66 47.49 -19.13 28.59 47.43 -17.90 28.30 48.78 -19.85 26.89 48.68 -20.43 3 0 13.89-999 ?-999 ?-999 ? MG MG C 802 mSER~C 56 29.04 46.46 -19.88 29.02 46.64 -20.86 30.67 45.37 -18.35 30.70 44.83 -17.25 29.45 45.19 -19.26 29.73 44.13 -20.32 2 0 15.22-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 57 31.67 46.13 -18.81 31.52 46.49 -19.74 32.52 47.11 -16.70 33.04 46.74 -15.64 32.87 46.42 -18.02 33.88 47.27 -18.80 2 0 17.77-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 58 31.66 48.12 -16.78 31.29 48.28 -17.69 30.40 48.13 -14.62 30.56 48.25 -13.40 31.29 48.91 -15.59 30.60 50.23 -15.97 2 0 15.56-999 ?-999 ?-999 ? MG MG C 802 mVAL~C 59 29.48 47.33 -15.15 29.41 47.37 -16.15 29.55 45.42 -13.61 29.35 45.09 -12.43 28.66 46.46 -14.29 27.47 45.81 -15.07 3 0 13.11-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 60 30.55 44.92 -14.34 30.57 45.23 -15.29 32.26 44.63 -12.58 32.43 44.00 -11.54 31.51 43.99 -13.75 32.51 43.48 -14.79 2 0 16.50-999 ?-999 ?-999 ? MG MG C 802 mARG~C 61 32.67 45.89 -12.76 32.49 46.26 -13.66 32.45 46.84 -10.46 32.92 46.69 -9.33 33.34 46.64 -11.69 33.84 48.00 -12.21 2 0 17.80-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 62 31.18 47.18 -10.69 30.96 47.32 -11.65 30.07 46.00 -8.84 30.10 46.00 -7.61 30.21 47.31 -9.61 28.85 47.80 -10.12 3 0 15.06-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 63 29.94 44.89 -9.57 29.92 45.04 -10.56 31.10 43.27 -8.10 30.99 42.77 -6.97 29.85 43.58 -8.92 29.60 42.47 -9.94 2 0 15.83-999 ?-999 ?-999 ? MG MG C 802 mGLU~C 64 32.27 43.57 -8.65 32.20 43.97 -9.56 33.72 44.20 -6.70 34.30 43.75 -5.70 33.54 43.33 -7.95 34.74 43.49 -8.89 2 0 19.51-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 65 33.23 45.44 -6.76 32.88 45.70 -7.65 32.33 45.75 -4.47 32.72 45.72 -3.30 33.22 46.31 -5.58 32.77 47.72 -5.96 3 0 19.39-999 ?-999 ?-999 ? MG MG C 802 mILE~C 66 31.13 45.29 -4.83 30.92 45.40 -5.80 30.83 43.40 -3.27 30.73 43.16 -2.06 30.22 44.69 -3.84 28.78 44.49 -4.40 3 0 18.01-999 ?-999 ?-999 ? MG MG C 802 mASN~C 67 31.49 42.61 -4.12 31.44 42.92 -5.07 33.37 41.73 -2.73 33.65 40.97 -1.80 32.22 41.41 -3.68 32.78 40.63 -4.88 2 0 20.71-999 ?-999 ?-999 ? MG MG C 802 mALA~C 68 34.02 42.87 -2.97 33.70 43.37 -3.77 34.60 43.58 -0.71 35.24 43.21 0.28 35.12 43.31 -2.12 35.81 44.55 -2.71 2 0 23.25-999 ?-999 ?-999 ? MG MG C 802 mLEU~C 69 33.42 44.19 -0.64 33.06 44.47 -1.53 32.32 43.12 1.30 32.52 42.97 2.51 32.71 44.43 0.61 31.47 45.27 0.34 3 0 22.63-999 ?-999 ?-999 ? MG MG C 802 mASN~C 70 31.77 42.17 0.54 31.58 42.46 -0.40 32.65 40.19 1.76 32.51 39.58 2.82 31.46 40.83 1.07 31.09 39.89 -0.07 2 0 23.06-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 71 33.80 40.29 1.11 33.74 40.82 0.27 35.51 40.35 2.87 35.92 39.66 3.81 35.04 39.69 1.57 36.11 39.80 0.47 2 0 26.31-999 ?-999 ?-999 ? MG MG C 802 mILE~C 72 35.43 41.67 2.91 35.13 42.10 2.06 34.88 41.96 5.30 35.39 41.72 6.41 35.75 42.42 4.12 35.64 43.95 3.88 3 0 27.57-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 73 33.58 41.80 5.05 33.33 42.03 4.11 32.96 39.97 6.63 32.60 39.66 7.78 32.61 41.34 6.03 31.22 41.29 5.40 2 0 27.06-999 ?-999 ?-999 ? MG MG C 802 mLYS~C 74 33.66 39.15 5.86 33.87 39.51 4.95 34.97 37.93 7.56 34.99 37.03 8.40 34.08 37.83 6.32 34.79 37.06 5.20 2 0 29.38-999 ?-999 ?-999 ? MG MG C 802 mGLY~C 75 35.67 39.06 7.69 35.59 39.67 6.91 35.68 39.61 10.13 36.24 39.65 11.22 36.49 39.35 8.86-999.99-999.99-999.99 1 0 32.14-999 ?-999 ?-999 ? MG MG C 802 mLEU.C 76 34.37 39.78 9.97 34.05 39.71 9.02 32.76 38.77 11.57 31.93 38.83 12.48 33.48 40.03 11.10 32.44 41.10 10.74 3 0 31.79-999 ?-999 ?-999 ? MG MG C 802 mLEU.C 77 33.05 37.65 10.93 33.68 37.75 10.16 33.00 36.04 12.74 34.17 36.28 13.03 32.48 36.38 11.35 32.87 35.26 10.39 3 0 32.69-999 ?-999 ?-999 ? MG MG C 802 mVAL.C 78 32.11 35.53 13.59 31.17 35.55 13.24 31.87 33.60 15.00 30.67 33.42 14.81 32.49 35.00 14.89 32.06 35.94 16.07 3 0 36.01-999 ?-999 ?-999 ? MG MG C 802 mPHE.C 79 32.70 32.61 15.28 33.64 32.93 15.45 31.78 30.72 13.99 31.02 29.76 13.92 32.29 31.20 15.35 31.20 30.95 16.42 3 0 37.92-999 ?-999 ?-999 ? MG MG C 802 mGLY.C 80 32.21 31.41 12.94 32.82 32.17 13.17 30.49 31.65 11.13 30.01 31.32 10.04 31.82 31.06 11.57-999.99-999.99-999.99 1 0 34.97-999 ?-999 ?-999 ? MG MG C 802 mSER.C 81 29.91 32.52 11.96 30.46 32.73 12.77 28.60 34.65 11.81 29.48 35.28 12.40 28.59 33.12 11.71 27.54 32.56 12.68 2 0 32.66-999 ?-999 ?-999 ? MG MG C 802 mGLY~D -1 39.72 49.56 -58.81 39.03 49.21 -59.43 40.77 49.25 -56.61 39.96 48.34 -56.45 40.75 50.09 -57.87-999.99-999.99-999.99 1 0 24.45-999 ?-999 ?-999 ? MG MG E 804 mHIS~D 0 41.66 49.61 -55.69 42.15 50.46 -55.87 40.62 48.59 -53.66 40.33 47.47 -53.25 41.87 48.78 -54.51 43.03 49.28 -53.65 3 0 27.44-999 ?-999 ?-999 ? MG MG E 804 mMET~D 1 39.86 49.66 -53.42 40.14 50.51 -53.87 37.67 48.56 -53.13 37.16 47.67 -52.43 38.69 49.51 -52.53 38.03 50.85 -52.18 2 0 27.09-999 ?-999 ?-999 ? MG MG E 804 mPHE~D 2 37.36 48.71 -54.42 37.87 49.42 -54.91 36.80 46.42 -55.15 35.99 45.53 -55.03 36.34 47.87 -55.01 35.85 48.43 -56.35 3 0 26.72-999 ?-999 ?-999 ? MG MG E 804 mGLU~D 3 38.09 46.21 -55.39 38.64 47.03 -55.54 38.51 44.18 -54.04 38.18 42.99 -53.95 38.62 44.84 -55.42 40.05 44.81 -55.98 2 0 29.52-999 ?-999 ?-999 ? MG MG E 804 mLYS~D 4 38.74 44.95 -52.97 39.04 45.88 -53.20 37.11 44.08 -51.34 36.82 43.01 -50.79 38.57 44.45 -51.60 39.01 45.48 -50.57 2 0 27.75-999 ?-999 ?-999 ? MG MG D 803 mILE~D 5 36.20 44.97 -51.75 36.59 45.79 -52.16 34.35 43.46 -52.34 33.64 42.61 -51.80 34.77 44.72 -51.58 33.92 45.95 -52.02 3 0 24.96-999 ?-999 ?-999 ? MG MG D 803 mARG~D 6 34.80 43.33 -53.58 35.37 44.10 -53.89 34.92 40.85 -53.73 34.18 39.88 -53.74 34.48 42.16 -54.40 35.08 42.30 -55.79 2 0 25.53-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 7 36.12 40.85 -53.15 36.62 41.72 -53.26 35.76 39.36 -51.23 35.44 38.19 -50.98 36.64 39.68 -52.44 38.09 39.95 -52.00 2 0 25.31-999 ?-999 ?-999 ? MG MG D 803 mILE~D 8 35.36 40.39 -50.49 35.68 41.28 -50.80 33.15 39.64 -49.74 32.63 38.70 -49.11 34.51 40.17 -49.32 34.40 41.43 -48.44 3 0 22.00-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 9 32.59 40.19 -50.81 33.10 40.94 -51.21 31.38 38.19 -51.68 30.47 37.43 -51.35 31.31 39.68 -51.33 30.83 40.47 -52.55 3 0 20.61-999 ?-999 ?-999 ? MG MG D 803 mALA~D 10 32.47 37.77 -52.33 33.14 38.49 -52.52 32.73 35.52 -51.44 32.15 34.42 -51.40 32.63 36.37 -52.70 33.86 36.19 -53.56 2 0 21.92-999 ?-999 ?-999 ? MG MG D 803 mASP~D 11 33.47 36.00 -50.45 33.90 36.89 -50.65 32.30 35.18 -48.44 32.02 34.17 -47.77 33.63 35.28 -49.17 34.67 35.93 -48.26 2 0 20.44-999 ?-999 ?-999 ? MG MG D 803 mILE~D 12 31.48 36.24 -48.52 31.86 37.03 -49.00 29.25 35.13 -48.60 28.56 34.37 -47.91 30.13 36.19 -47.94 29.45 37.58 -47.94 3 0 16.94-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 13 29.27 35.07 -49.93 29.82 35.78 -50.37 28.95 32.64 -50.20 28.10 31.81 -49.90 28.53 34.03 -50.66 28.72 34.18 -52.18 2 0 17.50-999 ?-999 ?-999 ? MG MG D 803 mASP~D 14 30.26 32.40 -50.11 30.84 33.18 -50.37 30.40 30.80 -48.24 30.00 29.67 -47.93 30.80 31.11 -49.68 32.32 31.07 -49.77 2 0 18.76-999 ?-999 ?-999 ? MG MG D 803 mSER~D 15 30.54 31.78 -47.36 30.94 32.62 -47.73 28.64 31.24 -45.86 28.29 30.32 -45.11 30.13 31.63 -45.96 30.39 32.93 -45.19 2 0 15.99-999 ?-999 ?-999 ? MG MG D 803 mGLN~D 16 27.77 31.93 -46.60 28.18 32.66 -47.16 26.10 30.18 -47.05 25.31 29.46 -46.47 26.34 31.62 -46.58 25.55 32.56 -47.48 2 0 13.37-999 ?-999 ?-999 ? MG MG D 803 mASN~D 17 26.80 29.78 -48.12 27.40 30.47 -48.51 27.08 27.37 -47.62 26.40 26.36 -47.46 26.66 28.42 -48.64 27.48 28.26 -49.92 2 0 15.93-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 18 28.19 27.61 -46.93 28.66 28.47 -47.17 27.70 26.62 -44.72 27.40 25.54 -44.18 28.65 26.68 -45.90 30.10 26.98 -45.51 2 0 16.43-999 ?-999 ?-999 ? MG MG D 803 mILE~D 19 27.19 27.78 -44.31 27.55 28.58 -44.80 24.95 27.07 -43.61 24.45 26.28 -42.80 26.20 27.84 -43.25 25.86 29.30 -42.87 3 0 12.82-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 20 24.45 27.25 -44.84 24.95 27.90 -45.41 23.48 25.01 -45.20 22.61 24.26 -44.76 23.25 26.52 -45.26 22.77 26.94 -46.66 2 0 12.72-999 ?-999 ?-999 ? MG MG D 803 mMET~D 21 24.67 24.57 -45.61 25.28 25.28 -45.96 25.08 22.67 -44.09 24.54 21.60 -43.74 25.02 23.15 -45.54 26.33 22.83 -46.25 2 0 16.04-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 22 25.72 23.46 -43.24 26.09 24.30 -43.63 24.48 23.04 -41.12 24.24 22.15 -40.28 25.83 23.05 -41.84 26.86 23.92 -41.11 3 0 15.18-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 23 23.60 23.98 -41.46 23.96 24.68 -42.08 21.47 22.69 -41.35 20.77 22.07 -40.54 22.22 23.97 -40.93 21.43 25.20 -41.38 3 0 12.27-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 24 21.66 22.30 -42.60 22.26 22.90 -43.14 21.55 19.88 -42.36 20.77 19.05 -41.90 21.04 21.09 -43.13 21.29 20.95 -44.63 2 0 15.04-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 25 22.87 19.78 -42.21 23.38 20.53 -42.63 23.06 18.61 -40.02 22.97 17.53 -39.43 23.50 18.67 -41.48 25.03 18.78 -41.54 3 0 17.59-999 ?-999 ?-999 ? MG MG D 803 mALA~D 26 22.78 19.78 -39.44 22.90 20.57 -40.04 20.83 19.69 -37.88 20.34 19.57 -36.74 22.34 19.86 -38.04 22.80 21.19 -37.41 2 0 15.67-999 ?-999 ?-999 ? MG MG D 803 mASN~D 27 20.09 19.66 -39.00 20.65 19.57 -39.82 18.09 20.92 -38.20 17.18 20.77 -37.37 18.62 19.74 -39.00 17.98 18.43 -38.50 2 0 14.90-999 ?-999 ?-999 ? MG MG D 803 mLEU.D 28 18.67 22.09 -38.44 19.39 22.05 -39.14 17.99 24.38 -38.76 18.62 24.42 -39.81 18.29 23.31 -37.74 19.44 23.82 -36.86 3 0 11.27-999 ?-999 ?-999 ? MG MG D 803 mSER~D 29 17.02 25.23 -38.44 16.42 24.92 -37.71 17.85 27.50 -38.50 18.31 27.29 -37.36 16.89 26.50 -39.14 15.47 27.02 -39.03 2 0 8.07-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 30 18.16 28.59 -39.21 17.77 28.62 -40.13 18.37 30.20 -37.34 19.07 30.45 -36.35 19.00 29.64 -38.62 19.29 30.74 -39.65 3 0 5.42-999 ?-999 ?-999 ? MG MG D 803 mGLY~D 31 17.05 30.37 -37.35 16.61 30.16 -38.22 16.52 29.86 -34.97 16.80 30.30 -33.85 16.32 30.81 -36.15-999.99-999.99-999.99 1 0 4.02-999 ?-999 ?-999 ? MG MG D 803 mASP~D 32 16.40 28.56 -35.23 16.13 28.36 -36.17 18.05 27.65 -33.64 18.25 27.59 -32.43 16.64 27.53 -34.20 16.49 26.11 -34.77 2 0 7.82-999 ?-999 ?-999 ? MG MG D 803 mPHE~D 33 19.03 27.83 -34.54 18.73 27.85 -35.49 20.56 29.14 -33.13 21.17 29.00 -32.06 20.42 27.98 -34.12 21.35 28.20 -35.33 3 0 8.35-999 ?-999 ?-999 ? MG MG D 803 mILE~D 34 20.00 30.29 -33.48 19.54 30.29 -34.37 19.39 31.19 -31.26 19.90 31.54 -30.20 20.09 31.46 -32.59 19.50 32.71 -33.28 3 0 6.93-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 35 18.23 30.54 -31.31 17.90 30.31 -32.22 18.35 29.28 -29.13 18.32 29.43 -27.91 17.54 30.20 -30.06 16.13 29.66 -30.32 2 0 8.89-999 ?-999 ?-999 ? MG MG D 803 mILE~D 36 19.06 28.32 -29.72 18.93 28.26 -30.71 21.15 28.24 -28.39 21.47 28.15 -27.21 19.96 27.45 -28.94 20.42 26.24 -29.76 3 0 11.78-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 37 21.80 29.02 -29.25 21.44 29.00 -30.18 22.64 30.82 -27.69 23.51 31.11 -26.86 22.94 29.84 -28.83 23.49 30.66 -30.01 2 0 11.90-999 ?-999 ?-999 ? MG MG D 803 mARG~D 38 21.43 31.36 -27.67 20.82 31.03 -28.39 20.54 31.74 -25.39 20.20 32.45 -24.44 21.07 32.38 -26.67 20.04 33.35 -27.23 2 0 12.17-999 ?-999 ?-999 ? MG MG D 803 mGLY.D 39 20.43 30.40 -25.40 20.69 29.98 -26.27 18.48 29.51 -24.07 18.01 29.11 -23.01 19.99 29.63 -24.23-999.99-999.99-999.99 1 0 14.80-999 ?-999 ?-999 ? MG MG D 803 mSER.D 40 17.73 29.84 -25.12 18.24 30.09 -25.94 15.65 28.49 -25.46 14.51 28.21 -25.11 16.27 29.82 -25.03 15.67 30.94 -25.86 2 0 13.61-999 ?-999 ?-999 ? MG MG D 803 mMET.D 41 16.42 27.69 -26.20 17.35 28.04 -26.32 16.91 25.32 -26.38 18.11 25.48 -26.55 15.94 26.42 -26.77 15.83 26.53 -28.30 2 0 13.68-999 ?-999 ?-999 ? MG MG D 803 mASP.D 42 16.40 24.20 -25.84 15.42 24.22 -25.68 17.95 22.56 -26.79 17.36 22.60 -27.86 17.28 23.07 -25.53 16.49 21.90 -24.92 2 0 16.76-999 ?-999 ?-999 ? MG MG D 803 mMET.D 43 19.17 22.05 -26.65 19.57 22.20 -25.75 19.02 20.10 -28.14 18.86 19.19 -27.32 19.85 21.35 -27.75 21.26 20.93 -27.29 2 0 16.83-999 ?-999 ?-999 ? MG MG D 803 mPRO.D 44 18.50 20.04 -29.38 18.63 20.84 -29.97 18.72 17.61 -29.71 19.92 17.73 -30.01 17.78 18.82 -29.78 17.34 19.11 -31.22 3 0 17.61-999 ?-999 ?-999 ? MG MG D 803 mLYS.D 45 18.18 16.47 -29.30 17.18 16.49 -29.20 19.76 14.79 -30.26 20.83 14.19 -30.12 19.01 15.30 -29.04 18.19 14.18 -28.41 2 0 21.20-999 ?-999 ?-999 ? MG MG D 803 mGLY.D 46 19.22 15.04 -31.44 18.37 15.57 -31.41 20.82 15.52 -33.31 21.37 15.22 -34.38 19.84 14.57 -32.66-999.99-999.99-999.99 1 0 20.79-999 ?-999 ?-999 ? MG MG D 803 mVAL.D 47 21.03 16.69 -32.71 20.52 16.85 -31.87 23.39 17.24 -32.92 23.72 17.16 -31.74 21.97 17.64 -33.29 21.69 19.09 -32.83 3 0 18.20-999 ?-999 ?-999 ? MG MG D 803 mASN~D 48 24.22 16.99 -33.93 23.80 17.01 -34.84 26.34 17.92 -33.09 26.29 19.02 -33.65 25.62 16.69 -33.69 26.31 16.21 -34.97 2 0 20.32-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 49 27.00 17.71 -31.95 26.98 16.76 -31.64 28.82 19.42 -32.06 28.97 20.64 -32.06 27.69 18.80 -31.25 28.22 18.31 -29.91 2 0 20.25-999 ?-999 ?-999 ? MG MG D 803 mALA~D 50 29.59 18.59 -32.76 29.36 17.62 -32.69 30.16 19.94 -34.76 30.70 21.02 -35.06 30.68 19.13 -33.57 31.63 18.02 -34.03 2 0 21.21-999 ?-999 ?-999 ? MG MG D 803 mPHE~D 51 29.08 19.47 -35.41 28.80 18.55 -35.13 27.97 21.63 -35.87 28.16 22.67 -36.50 28.40 20.28 -36.45 27.13 19.64 -37.00 3 0 18.46-999 ?-999 ?-999 ? MG MG D 803 mPHE~D 52 27.37 21.60 -34.68 27.30 20.70 -34.26 28.01 23.83 -33.81 27.87 25.02 -34.07 26.88 22.84 -34.07 26.10 22.54 -32.78 3 0 15.92-999 ?-999 ?-999 ? MG MG D 803 mTHR~D 53 29.14 23.34 -33.30 29.10 22.36 -33.11 30.84 24.75 -34.37 31.16 25.94 -34.44 30.31 24.17 -33.06 31.43 23.39 -32.35 2 0 17.74-999 ?-999 ?-999 ? MG MG D 803 mGLN~D 54 30.92 23.91 -35.40 30.61 22.98 -35.22 30.50 25.41 -37.29 30.95 26.44 -37.81 31.42 24.35 -36.70 31.56 23.15 -37.63 2 0 17.93-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 55 29.19 25.15 -37.19 28.98 24.26 -36.81 28.34 27.45 -36.87 28.29 28.53 -37.49 28.18 26.12 -37.61 26.79 25.54 -37.37 3 0 14.23-999 ?-999 ?-999 ? MG MG D 803 mSER~D 56 28.53 27.39 -35.55 28.55 26.46 -35.17 29.88 29.42 -35.27 29.78 30.65 -35.42 28.70 28.61 -34.76 28.95 28.28 -33.28 2 0 13.73-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 57 30.98 28.73 -35.54 30.90 27.74 -35.41 31.97 30.04 -37.36 32.45 31.14 -37.60 32.19 29.39 -36.00 33.35 28.41 -36.08 2 0 16.44-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 58 31.23 29.37 -38.24 30.88 28.49 -37.94 30.03 31.17 -39.51 30.20 32.15 -40.26 30.99 29.97 -39.57 30.52 28.91 -40.58 2 0 15.12-999 ?-999 ?-999 ? MG MG D 803 mVAL~D 59 29.05 31.11 -38.62 28.98 30.24 -38.14 28.97 33.46 -37.88 28.74 34.60 -38.31 28.15 32.26 -38.39 26.98 31.91 -37.43 3 0 11.72-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 60 29.92 33.21 -36.99 29.96 32.26 -36.68 31.68 34.83 -37.69 31.89 36.06 -37.80 30.83 34.28 -36.54 31.71 33.83 -35.36 2 0 14.23-999 ?-999 ?-999 ? MG MG D 803 mARG~D 61 32.15 33.95 -38.58 31.95 33.00 -38.36 32.01 35.31 -40.63 32.48 36.34 -41.12 32.89 34.40 -39.76 33.44 33.22 -40.56 2 0 16.34-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 62 30.73 34.94 -40.82 30.47 34.10 -40.35 29.65 37.15 -41.06 29.68 38.17 -41.78 29.82 35.76 -41.65 28.44 35.09 -41.78 3 0 13.77-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 63 29.43 37.19 -39.75 29.39 36.30 -39.31 30.53 39.31 -39.21 30.45 40.51 -39.49 29.27 38.46 -39.04 28.97 38.20 -37.56 2 0 13.29-999 ?-999 ?-999 ? MG MG D 803 mGLU~D 64 31.70 38.68 -39.09 31.63 37.70 -38.90 33.22 39.91 -40.65 33.80 40.98 -40.84 32.97 39.40 -39.23 34.13 38.55 -38.74 2 0 17.10-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 65 32.79 39.15 -41.65 32.39 38.28 -41.36 32.04 40.83 -43.30 32.48 41.77 -43.96 32.90 39.59 -43.04 32.51 38.46 -44.00 3 0 17.81-999 ?-999 ?-999 ? MG MG D 803 mILE~D 66 30.81 40.82 -42.78 30.57 39.98 -42.29 30.51 43.17 -42.21 30.52 44.30 -42.72 29.92 41.96 -42.95 28.47 41.63 -42.52 3 0 16.09-999 ?-999 ?-999 ? MG MG D 803 mASN~D 67 31.02 42.94 -41.01 30.89 42.01 -40.68 32.92 44.59 -41.01 33.15 45.81 -41.03 31.72 44.01 -40.26 32.15 43.49 -38.89 2 0 18.00-999 ?-999 ?-999 ? MG MG D 803 mALA~D 68 33.70 43.72 -41.66 33.42 42.76 -41.57 34.39 45.02 -43.63 35.00 46.05 -43.95 34.85 44.17 -42.44 35.68 42.98 -42.91 2 0 21.13-999 ?-999 ?-999 ? MG MG D 803 mLEU~D 69 33.31 44.60 -44.29 32.94 43.73 -43.98 32.34 46.77 -44.91 32.60 47.78 -45.57 32.76 45.38 -45.38 31.56 44.67 -46.00 3 0 20.88-999 ?-999 ?-999 ? MG MG D 803 mASN~D 70 31.70 46.82 -43.74 31.55 45.93 -43.30 32.45 48.98 -42.85 32.38 50.20 -43.03 31.28 48.10 -43.21 30.38 47.94 -41.99 2 0 20.71-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 71 33.53 48.37 -42.35 33.43 47.39 -42.19 35.35 49.74 -43.37 35.82 50.86 -43.35 34.75 49.14 -42.08 35.79 48.33 -41.31 2 0 23.69-999 ?-999 ?-999 ? MG MG D 803 mILE~D 72 35.28 49.01 -44.49 34.91 48.09 -44.38 34.82 50.75 -46.11 35.30 51.80 -46.53 35.72 49.57 -45.76 35.69 48.53 -46.90 3 0 25.59-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 73 33.52 50.58 -45.89 33.28 49.68 -45.53 32.80 52.93 -45.39 32.47 54.02 -45.87 32.54 51.63 -46.17 31.12 51.12 -45.87 2 0 24.84-999 ?-999 ?-999 ? MG MG D 803 mLYS~D 74 33.40 52.84 -44.21 33.58 51.90 -43.90 34.67 54.99 -44.26 34.68 56.20 -44.03 33.76 54.06 -43.46 34.37 53.72 -42.09 2 0 26.62-999 ?-999 ?-999 ? MG MG D 803 mGLY~D 75 35.43 54.42 -45.19 35.35 53.42 -45.23 35.52 56.08 -47.04 36.09 57.02 -47.62 36.29 55.20 -46.07-999.99-999.99-999.99 1 0 27.32-999 ?-999 ?-999 ? MG MG E 804 mLEU~D 76 34.24 55.77 -47.25 33.94 54.95 -46.76 32.57 57.61 -47.33 31.84 58.42 -47.91 33.35 56.57 -48.11 32.37 55.68 -48.86 3 0 24.67-999 ?-999 ?-999 ? MG MG E 804 mLEU~D 77 32.72 57.61 -46.00 33.28 56.87 -45.62 32.76 59.94 -45.50 33.97 60.00 -45.78 32.08 58.63 -45.21 32.13 58.33 -43.71 3 0 26.08-999 ?-999 ?-999 ? MG MG E 804 mVAL.D 78 31.98 60.99 -45.46 31.01 60.80 -45.32 32.14 63.02 -44.33 30.96 63.03 -43.95 32.53 62.32 -45.62 32.01 63.02 -46.89 3 0 24.18-999 ?-999 ?-999 ? MG MG E 804 mPHE.D 79 33.17 63.49 -43.64 34.05 63.34 -44.09 32.51 63.24 -41.28 31.80 63.67 -40.37 33.03 64.18 -42.36 32.13 65.41 -42.49 3 0 26.71-999 ?-999 ?-999 ? MG MG E 804 mGLY.D 80 32.86 61.97 -41.38 33.42 61.77 -42.19 31.00 60.53 -40.52 30.52 59.75 -39.69 32.45 60.96 -40.40-999.99-999.99-999.99 1 0 29.53-999 ?-999 ?-999 ? MG MG E 804 mSER.D 81 30.32 60.99 -41.56 30.87 61.53 -42.21 28.56 60.23 -43.12 29.34 60.38 -44.08 28.89 60.74 -41.73 28.09 62.01 -41.42 2 0 28.67-999 ?-999 ?-999 ? MG MG E 804 mHIS~E 0 14.19 34.36 -44.17 13.88 34.16 -43.23 15.90 35.52 -45.55 16.17 36.26 -46.51 14.64 34.65 -45.55 13.53 35.35 -46.33 3 0 8.00-999 ?-999 ?-999 ? MG MG D 803 mMET~E 1 16.69 35.44 -44.47 16.41 34.74 -43.81 18.84 36.20 -45.47 19.30 37.21 -46.01 17.84 36.32 -44.31 18.55 36.07 -42.98 2 0 6.86-999 ?-999 ?-999 ? MG MG D 803 mPHE~E 2 19.17 34.98 -45.86 18.67 34.24 -45.42 19.79 35.24 -48.26 20.60 35.71 -49.06 20.22 34.80 -46.86 20.74 33.37 -46.86 3 0 9.73-999 ?-999 ?-999 ? MG MG D 803 mGLU~E 3 18.50 35.09 -48.54 17.95 34.63 -47.84 18.01 37.10 -49.86 18.31 37.68 -50.91 17.98 35.57 -49.82 16.58 35.03 -50.09 2 0 12.13-999 ?-999 ?-999 ? MG MG D 803 mLYS~E 4 17.74 37.74 -48.73 17.46 37.15 -47.97 19.30 39.65 -48.83 19.57 40.63 -49.54 17.84 39.20 -48.65 17.28 39.73 -47.32 2 0 11.89-999 ?-999 ?-999 ? MG MG D 803 mILE~E 5 20.22 38.93 -48.19 19.85 38.18 -47.64 22.11 39.08 -49.74 22.76 39.97 -50.29 21.64 39.24 -48.30 22.49 38.38 -47.35 3 0 12.56-999 ?-999 ?-999 ? MG MG D 803 mARG~E 6 21.77 37.95 -50.37 21.24 37.32 -49.81 21.69 38.81 -52.71 22.45 39.24 -53.58 22.17 37.71 -51.76 21.68 36.34 -52.24 2 0 15.34-999 ?-999 ?-999 ? MG MG D 803 mLYS~E 7 20.47 39.30 -52.52 19.95 38.87 -51.77 20.78 41.68 -53.18 21.07 42.39 -54.15 19.95 40.38 -53.36 18.47 40.65 -53.07 2 0 16.96-999 ?-999 ?-999 ? MG MG D 803 mILE~E 8 21.15 41.97 -51.94 20.83 41.33 -51.24 23.35 42.99 -52.28 23.88 43.94 -52.87 21.97 43.15 -51.66 22.06 43.46 -50.16 3 0 17.19-999 ?-999 ?-999 ? MG MG D 803 mLEU~E 9 23.92 41.79 -52.20 23.40 41.10 -51.69 25.19 41.81 -54.33 26.12 42.40 -54.88 25.23 41.55 -52.82 25.77 40.15 -52.54 3 0 18.68-999 ?-999 ?-999 ? MG MG D 803 mALA~E 10 24.12 41.38 -54.99 23.45 40.90 -54.43 23.85 43.11 -56.74 24.42 43.61 -57.71 23.99 41.62 -56.43 22.82 40.83 -57.00 2 0 21.25-999 ?-999 ?-999 ? MG MG D 803 mASP~E 11 23.10 43.82 -55.91 22.67 43.28 -55.18 24.24 46.02 -55.83 24.52 47.02 -56.50 22.93 45.27 -56.06 21.86 45.78 -55.11 2 0 22.11-999 ?-999 ?-999 ? MG MG D 803 mILE~E 12 25.05 45.53 -54.89 24.70 44.74 -54.39 27.26 46.00 -55.87 27.90 46.98 -56.29 26.35 46.15 -54.64 27.03 45.56 -53.37 3 0 22.66-999 ?-999 ?-999 ? MG MG D 803 mGLU~E 13 27.29 44.81 -56.45 26.75 44.11 -55.98 27.64 45.56 -58.79 28.49 46.16 -59.44 28.06 44.59 -57.67 27.92 43.14 -58.14 2 0 25.04-999 ?-999 ?-999 ? MG MG D 803 mASP~E 14 26.33 45.73 -58.98 25.75 45.20 -58.36 26.24 48.07 -59.72 26.66 48.79 -60.63 25.82 46.62 -60.02 24.30 46.53 -60.10 2 0 26.60-999 ?-999 ?-999 ? MG MG E 804 mSER~E 15 26.11 48.47 -58.46 25.75 47.78 -57.84 27.97 50.08 -58.32 28.34 51.14 -58.87 26.48 49.83 -58.04 26.15 50.04 -56.55 2 0 24.27-999 ?-999 ?-999 ? MG MG E 804 mGLN~E 16 28.81 49.10 -57.97 28.38 48.31 -57.54 30.56 49.38 -59.68 31.39 50.20 -60.06 30.25 49.22 -58.20 31.01 48.02 -57.65 2 0 24.01-999 ?-999 ?-999 ? MG MG E 804 mASN~E 17 29.89 48.59 -60.52 29.24 47.98 -60.08 29.80 50.03 -62.51 30.56 50.57 -63.31 30.11 48.65 -61.97 29.31 47.57 -62.69 2 0 23.26-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 18 28.69 50.62 -62.05 28.19 50.09 -61.37 29.27 53.00 -62.06 29.66 53.88 -62.81 28.30 51.94 -62.53 26.85 52.26 -62.15 2 0 20.32-999 ?-999 ?-999 ? MG MG E 804 mILE~E 19 29.65 52.93 -60.79 29.22 52.20 -60.25 31.95 53.77 -61.02 32.54 54.81 -61.33 30.64 53.85 -60.25 30.88 53.59 -58.76 3 0 18.94-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 20 32.41 52.56 -61.34 31.85 51.79 -61.02 33.58 53.12 -63.46 34.52 53.82 -63.85 33.65 52.43 -62.10 34.06 50.96 -62.24 2 0 19.43-999 ?-999 ?-999 ? MG MG E 804 mMET~E 21 32.45 52.98 -64.15 31.76 52.39 -63.73 32.24 55.17 -65.25 32.91 55.90 -65.98 32.28 53.66 -65.42 31.05 53.17 -66.20 2 0 17.45-999 ?-999 ?-999 ? MG MG E 804 mLEU~E 22 31.49 55.66 -64.25 31.00 54.97 -63.71 32.82 57.69 -63.66 33.15 58.79 -64.10 31.44 57.10 -64.01 30.41 57.44 -62.94 3 0 14.48-999 ?-999 ?-999 ? MG MG E 804 mLEU~E 23 33.61 56.95 -62.87 33.18 56.12 -62.52 35.84 57.46 -63.82 36.57 58.44 -64.01 34.99 57.37 -62.55 35.64 56.40 -61.54 3 0 14.77-999 ?-999 ?-999 ? MG MG E 804 mLYS~E 24 35.72 56.47 -64.70 35.09 55.74 -64.43 36.07 57.73 -66.79 36.94 58.44 -67.31 36.47 56.49 -65.97 36.24 55.21 -66.76 2 0 14.94-999 ?-999 ?-999 ? MG MG E 804 mLEU~E 25 34.77 57.98 -66.87 34.20 57.33 -66.37 34.72 60.47 -67.08 35.02 61.39 -67.86 34.25 59.13 -67.64 32.72 59.10 -67.65 3 0 11.81-999 ?-999 ?-999 ? MG MG E 804 mALA~E 26 34.76 60.57 -65.76 34.49 59.72 -65.30 36.69 61.93 -64.98 37.22 63.00 -64.61 35.17 61.80 -65.06 34.57 61.83 -63.67 2 0 9.82-999 ?-999 ?-999 ? MG MG E 804 mASN~E 27 37.40 60.86 -65.33 36.83 60.12 -65.67 39.33 60.99 -63.80 40.24 61.79 -63.54 38.85 60.79 -65.24 39.53 61.82 -66.18 2 0 11.99-999 ?-999 ?-999 ? MG MG E 804 mLEU.E 28 38.67 60.29 -62.88 37.94 59.72 -63.26 39.25 58.96 -60.93 38.61 58.00 -61.37 39.00 60.35 -61.46 37.83 60.92 -60.66 3 0 13.84-999 ?-999 ?-999 ? MG MG E 804 mSER~E 29 40.14 58.84 -59.96 40.77 59.61 -59.85 39.07 57.77 -58.04 38.58 58.87 -57.77 40.14 57.63 -59.14 41.50 57.37 -58.49 2 0 17.54-999 ?-999 ?-999 ? MG MG E 804 mLEU~E 30 38.74 56.66 -57.40 39.18 55.82 -57.71 38.34 57.65 -55.20 37.62 58.45 -54.64 37.78 56.74 -56.32 37.40 55.36 -55.80 3 0 19.06-999 ?-999 ?-999 ? MG MG E 804 mGLY~E 31 39.64 57.52 -54.94 40.12 56.83 -55.49 40.19 59.83 -54.27 39.96 60.67 -53.38 40.28 58.35 -53.92-999.99-999.99-999.99 1 0 20.33-999 ?-999 ?-999 ? MG MG E 804 mASP~E 32 40.36 60.15 -55.55 40.59 59.37 -56.14 38.81 62.02 -55.71 38.64 63.13 -55.19 40.21 61.52 -56.03 40.42 61.63 -57.55 2 0 16.94-999 ?-999 ?-999 ? MG MG E 804 mPHE~E 33 37.80 61.21 -56.04 38.06 60.35 -56.48 36.22 61.89 -54.28 35.68 62.93 -53.91 36.42 61.60 -55.77 35.43 60.52 -56.23 3 0 15.88-999 ?-999 ?-999 ? MG MG E 804 mILE~E 34 36.67 60.97 -53.44 37.11 60.19 -53.88 37.18 62.41 -51.51 36.60 63.15 -50.70 36.51 61.12 -51.99 37.10 59.89 -51.27 3 0 19.25-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 35 38.38 62.70 -52.02 38.72 62.05 -52.70 38.45 65.19 -52.04 38.54 66.20 -51.35 39.10 63.89 -51.57 40.56 63.85 -51.98 2 0 19.04-999 ?-999 ?-999 ? MG MG E 804 mILE~E 36 37.83 65.18 -53.23 37.91 64.32 -53.74 35.86 66.54 -52.81 35.56 67.66 -52.37 37.10 66.36 -53.69 36.66 66.25 -55.17 3 0 15.74-999 ?-999 ?-999 ? MG MG E 804 mLYS~E 37 35.19 65.42 -52.55 35.62 64.59 -52.90 34.12 65.92 -50.38 33.21 66.53 -49.80 33.92 65.43 -51.82 33.28 64.03 -51.86 2 0 17.30-999 ?-999 ?-999 ? MG MG E 804 mARG~E 38 35.31 65.68 -49.83 35.97 65.25 -50.44 36.23 67.42 -48.32 36.50 67.89 -47.22 35.59 66.04 -48.44 36.49 64.98 -47.79 2 0 20.52-999 ?-999 ?-999 ? MG MG E 804 mGLY.E 39 36.47 68.08 -49.46 36.25 67.57 -50.29 38.53 69.54 -49.48 39.08 70.64 -49.46 37.02 69.43 -49.44-999.99-999.99-999.99 1 0 19.25-999 ?-999 ?-999 ? MG MG E 804 mSER.E 40 39.22 68.41 -49.57 38.66 67.59 -49.61 41.33 68.68 -50.97 42.40 69.29 -51.04 40.69 68.42 -49.61 41.24 67.12 -49.02 2 0 20.27-999 ?-999 ?-999 ? MG MG E 804 mMET.E 41 40.70 68.20 -52.05 39.83 67.76 -51.82 40.36 69.33 -54.13 39.13 69.26 -54.02 41.23 68.32 -53.42 41.13 66.96 -54.13 2 0 17.10-999 ?-999 ?-999 ? MG MG E 804 mASP.E 42 40.96 70.28 -54.86 41.95 70.28 -54.81 39.40 70.42 -56.72 39.87 69.39 -57.18 40.16 71.21 -55.67 41.06 72.21 -56.42 2 0 14.43-999 ?-999 ?-999 ? MG MG E 804 mMET.E 43 38.22 70.90 -57.11 37.85 71.65 -56.56 38.45 70.56 -59.49 38.71 71.71 -59.83 37.56 70.31 -58.27 36.19 70.94 -58.50 2 0 10.94-999 ?-999 ?-999 ? MG MG E 804 mPRO.E 44 38.95 69.48 -60.13 38.75 68.59 -59.72 38.94 70.41 -62.43 37.75 70.15 -62.60 39.74 69.69 -61.35 40.12 68.27 -61.79 3 0 9.66-999 ?-999 ?-999 ? MG MG E 804 mLYS.E 45 39.59 71.33 -63.14 40.58 71.38 -62.96 38.24 71.34 -65.22 37.21 71.73 -65.77 38.88 72.16 -64.11 39.83 73.21 -64.70 2 0 7.25-999 ?-999 ?-999 ? MG MG E 804 mGLY.E 46 38.86 70.21 -65.54 39.67 70.02 -64.98 37.33 68.33 -66.20 36.82 67.60 -67.06 38.39 69.34 -66.60-999.99-999.99-999.99 1 0 5.77-999 ?-999 ?-999 ? MG MG E 804 mVAL.E 47 37.01 68.25 -64.90 37.51 68.89 -64.31 34.59 67.85 -64.61 34.25 68.94 -64.12 35.99 67.29 -64.43 36.16 66.89 -62.93 3 0 5.98-999 ?-999 ?-999 ? MG MG E 804 mASN~E 48 33.77 67.10 -65.33 34.18 66.27 -65.70 31.57 67.42 -64.25 31.52 66.39 -63.57 32.39 67.47 -65.54 31.76 66.59 -66.61 2 0 4.37-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 49 30.91 68.51 -63.92 30.98 69.25 -64.59 28.94 67.65 -62.63 28.65 67.07 -61.57 30.14 68.60 -62.68 29.68 70.03 -62.46 2 0 6.67-999 ?-999 ?-999 ? MG MG E 804 mALA~E 50 28.25 67.49 -63.76 28.57 68.03 -64.54 27.57 65.12 -63.61 26.89 64.36 -62.91 27.12 66.57 -63.80 26.30 66.74 -65.10 2 0 8.57-999 ?-999 ?-999 ? MG MG E 804 mPHE~E 51 28.71 64.73 -64.20 29.10 65.39 -64.85 29.59 63.32 -62.39 29.31 62.30 -61.77 29.30 63.42 -63.89 30.64 63.17 -64.61 3 0 9.40-999 ?-999 ?-999 ? MG MG E 804 mPHE~E 52 30.18 64.37 -61.81 30.34 65.15 -62.42 29.31 64.13 -59.51 29.34 63.32 -58.57 30.53 64.33 -60.39 31.26 65.61 -59.99 3 0 10.51-999 ?-999 ?-999 ? MG MG E 804 mTHR~E 53 28.23 64.83 -59.83 28.35 65.44 -60.62 26.38 63.31 -59.21 25.92 62.75 -58.22 26.98 64.71 -59.08 25.95 65.78 -59.52 2 0 12.59-999 ?-999 ?-999 ? MG MG E 804 mGLN~E 54 26.40 62.76 -60.42 26.84 63.32 -61.13 26.66 60.40 -59.92 26.12 59.48 -59.29 25.84 61.44 -60.68 25.84 61.16 -62.18 2 0 14.06-999 ?-999 ?-999 ? MG MG E 804 mLEU~E 55 27.98 60.55 -59.97 28.28 61.29 -60.58 28.60 59.78 -57.71 28.49 58.75 -57.04 28.90 59.71 -59.21 30.34 60.15 -59.50 3 0 14.93-999 ?-999 ?-999 ? MG MG E 804 mSER~E 56 28.44 60.99 -57.19 28.56 61.74 -57.85 26.85 60.46 -55.38 26.82 59.77 -54.34 28.12 61.21 -55.79 28.01 62.71 -55.47 2 0 16.50-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 57 25.82 60.55 -56.22 26.00 61.11 -57.03 24.68 58.36 -55.93 24.10 57.69 -55.05 24.54 59.88 -55.97 23.49 60.32 -56.99 2 0 18.53-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 58 25.48 57.80 -56.84 25.90 58.45 -57.47 26.56 55.87 -55.67 26.33 54.80 -55.11 25.69 56.35 -56.85 26.25 55.85 -58.19 2 0 19.86-999 ?-999 ?-999 ? MG MG E 804 mVAL~E 59 27.54 56.68 -55.28 27.66 57.50 -55.84 27.44 56.31 -52.84 27.58 55.42 -51.99 28.34 56.33 -54.09 29.54 57.27 -53.91 3 0 20.82-999 ?-999 ?-999 ? MG MG E 804 mGLU~E 60 26.50 57.24 -52.76 26.52 57.92 -53.49 24.69 55.93 -51.66 24.45 55.35 -50.60 25.53 57.21 -51.65 24.63 58.45 -51.69 2 0 22.75-999 ?-999 ?-999 ? MG MG E 804 mARG~E 61 24.27 55.49 -52.85 24.51 56.08 -53.62 24.38 53.06 -52.50 23.88 52.15 -51.82 23.53 54.24 -52.99 23.08 54.03 -54.44 2 0 24.48-999 ?-999 ?-999 ? MG MG E 804 mLEU~E 62 25.67 53.08 -52.84 25.95 53.86 -53.38 26.66 51.95 -50.88 26.59 50.89 -50.28 26.56 52.00 -52.41 27.96 52.15 -53.03 3 0 24.88-999 ?-999 ?-999 ? MG MG D 803 mLYS~E 63 26.82 53.12 -50.27 26.91 53.90 -50.89 25.55 52.68 -48.19 25.60 51.94 -47.21 26.84 53.22 -48.82 27.10 54.66 -48.40 2 0 24.01-999 ?-999 ?-999 ? MG MG D 803 mGLU~E 64 24.41 53.07 -48.76 24.52 53.67 -49.54 22.95 51.10 -48.35 22.38 50.47 -47.46 23.11 52.62 -48.24 21.97 53.26 -49.00 2 0 21.91-999 ?-999 ?-999 ? MG MG D 803 mLEU~E 65 23.44 50.53 -49.44 23.83 51.17 -50.11 24.19 48.37 -48.56 23.74 47.37 -47.98 23.38 49.08 -49.63 23.88 48.69 -51.03 3 0 19.96-999 ?-999 ?-999 ? MG MG D 803 mILE~E 66 25.39 48.87 -48.29 25.66 49.66 -48.84 25.58 48.43 -45.87 25.59 47.50 -45.06 26.23 48.26 -47.24 27.69 48.76 -47.28 3 0 19.26-999 ?-999 ?-999 ? MG MG D 803 mASN~E 67 24.98 49.59 -45.63 25.09 50.27 -46.35 23.05 48.87 -44.22 22.76 48.42 -43.11 24.23 49.82 -44.39 23.73 51.26 -44.31 2 0 18.34-999 ?-999 ?-999 ? MG MG D 803 mALA~E 68 22.37 48.56 -45.33 22.69 49.03 -46.15 21.73 46.23 -44.88 21.04 45.53 -44.11 21.26 47.61 -45.32 20.61 47.51 -46.70 2 0 15.83-999 ?-999 ?-999 ? MG MG D 803 mLEU~E 69 22.91 45.85 -45.35 23.33 46.51 -45.97 23.88 44.56 -43.51 23.67 43.58 -42.80 23.52 44.57 -45.00 24.79 44.36 -45.83 3 0 14.18-999 ?-999 ?-999 ? MG MG D 803 mASN~E 70 24.42 45.69 -43.04 24.60 46.39 -43.73 23.53 45.63 -40.74 23.63 45.00 -39.70 24.71 45.85 -41.62 25.20 47.25 -41.35 2 0 14.46-999 ?-999 ?-999 ? MG MG D 803 mLYS~E 71 22.41 46.23 -41.14 22.49 46.71 -42.01 20.67 44.74 -40.32 20.22 44.27 -39.28 21.18 46.17 -40.37 20.13 47.10 -40.99 2 0 12.81-999 ?-999 ?-999 ? MG MG D 803 mILE~E 72 20.73 44.03 -41.45 21.06 44.54 -42.24 21.16 41.82 -40.46 20.63 41.01 -39.70 20.33 42.62 -41.47 20.47 42.01 -42.87 3 0 9.66-999 ?-999 ?-999 ? MG MG D 803 mLYS~E 73 22.46 42.08 -40.46 22.74 42.81 -41.09 23.06 41.52 -38.10 23.39 40.64 -37.28 23.39 41.37 -39.60 24.82 41.84 -39.92 2 0 9.82-999 ?-999 ?-999 ? MG MG D 803 mLYS~E 74 22.39 42.62 -37.74 22.23 43.27 -38.48 21.05 41.69 -35.85 21.01 41.40 -34.65 21.95 42.83 -36.35 21.27 44.20 -36.20 2 0 10.01-999 ?-999 ?-999 ? MG MG D 803 mGLY~E 75 20.34 41.04 -36.79 20.43 41.44 -37.70 20.30 38.63 -36.02 19.70 37.64 -35.58 19.52 39.86 -36.49-999.99-999.99-999.99 1 0 6.26-999 ?-999 ?-999 ? MG MG D 803 mLEU~E 76 21.63 38.69 -36.12 21.97 39.54 -36.53 23.13 37.85 -34.29 23.93 37.03 -33.81 22.50 37.60 -35.67 23.60 37.32 -36.72 3 0 6.97-999 ?-999 ?-999 ? MG MG D 803 mLEU~E 77 22.76 38.95 -33.64 22.12 39.54 -34.13 22.82 38.20 -31.31 21.68 37.73 -31.39 23.29 39.25 -32.31 22.80 40.61 -31.81 3 0 9.86-999 ?-999 ?-999 ? MG MG D 803 mVAL.E 78 23.71 37.83 -30.40 24.63 38.21 -30.55 23.99 37.56 -28.03 25.17 37.87 -28.03 23.36 36.94 -29.27 23.91 35.51 -29.48 3 0 11.14-999 ?-999 ?-999 ? MG MG D 803 mPHE.E 79 23.17 37.77 -27.00 22.26 37.39 -27.16 24.00 39.92 -26.08 24.68 40.57 -25.26 23.58 38.48 -25.77 24.69 37.74 -25.01 3 0 14.46-999 ?-999 ?-999 ? MG MG D 803 mGLY.E 80 23.60 40.40 -27.24 23.09 39.74 -27.80 25.23 41.94 -28.34 25.66 43.09 -28.54 23.89 41.77 -27.65-999.99-999.99-999.99 1 0 14.46-999 ?-999 ?-999 ? MG MG D 803 mSER.E 81 25.87 40.84 -28.71 25.44 39.98 -28.43 27.23 39.92 -30.64 26.44 38.98 -30.80 27.13 40.90 -29.47 28.34 40.83 -28.54 2 0 14.86-999 ?-999 ?-999 ? MG MG D 803 mGLY~F -1 18.50 46.96 59.13 19.29 46.77 59.72 17.35 46.48 56.94 18.17 45.58 56.72 17.33 47.24 58.25-999.99-999.99-999.99 1 0 7.86-999 ?-999 ?-999 ? MG MG B 801 mHIS~F 0 16.45 46.86 56.04 15.94 47.69 56.29 17.53 45.89 53.99 17.79 44.78 53.52 16.25 46.10 54.81 15.13 46.68 53.94 3 0 7.97-999 ?-999 ?-999 ? MG MG B 801 mMET~F 1 18.33 46.94 53.82 18.09 47.76 54.34 20.46 45.78 53.45 20.92 44.88 52.71 19.49 46.82 52.91 20.22 48.15 52.69 2 0 8.80-999 ?-999 ?-999 ? MG MG B 801 mPHE~F 2 20.80 45.88 54.74 20.34 46.61 55.25 21.25 43.53 55.42 22.02 42.57 55.31 21.78 44.95 55.29 22.40 45.42 56.60 3 0 11.41-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 3 19.95 43.38 55.64 19.44 44.22 55.80 19.49 41.40 54.25 19.78 40.22 54.13 19.38 42.03 55.64 17.93 42.05 56.12 2 0 12.78-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 4 19.26 42.20 53.21 18.98 43.12 53.46 20.86 41.38 51.53 21.15 40.33 50.96 19.42 41.71 51.83 18.94 42.74 50.82 2 0 13.46-999 ?-999 ?-999 ? MG MG B 801 mILE~F 5 21.76 42.28 51.90 21.40 43.11 52.32 23.61 40.70 52.38 24.28 39.86 51.78 23.19 42.00 51.68 24.08 43.19 52.12 3 0 14.98-999 ?-999 ?-999 ? MG MG B 801 mARG~F 6 23.20 40.53 53.63 22.62 41.27 53.99 23.06 38.06 53.74 23.76 37.05 53.70 23.57 39.35 54.40 23.13 39.49 55.85 2 0 17.05-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 7 21.84 38.11 53.19 21.36 38.97 53.35 22.15 36.65 51.22 22.44 35.47 50.94 21.30 36.96 52.44 19.87 37.25 52.00 2 0 18.37-999 ?-999 ?-999 ? MG MG B 801 mILE~F 8 22.56 37.69 50.50 22.24 38.57 50.84 24.76 36.95 49.67 25.26 36.05 48.99 23.38 37.51 49.31 23.50 38.81 48.48 3 0 19.41-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 9 25.36 37.47 50.74 24.86 38.21 51.19 26.59 35.47 51.51 27.47 34.71 51.13 26.66 36.96 51.18 27.20 37.72 52.40 3 0 21.08-999 ?-999 ?-999 ? MG MG B 801 mALA~F 10 25.53 35.06 52.21 24.91 35.80 52.49 25.20 32.83 51.25 25.77 31.74 51.15 25.33 33.65 52.53 24.10 33.49 53.41 2 0 23.00-999 ?-999 ?-999 ? MG MG B 801 mASP~F 11 24.45 33.35 50.27 24.03 34.23 50.48 25.60 32.55 48.21 25.88 31.53 47.55 24.29 32.65 48.98 23.20 33.29 48.12 2 0 24.09-999 ?-999 ?-999 ? MG MG B 801 mILE~F 12 26.40 33.62 48.28 26.01 34.39 48.77 28.63 32.54 48.30 29.33 31.82 47.59 27.74 33.61 47.67 28.41 35.01 47.67 3 0 25.21-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 13 28.59 32.42 49.63 27.97 33.05 50.10 29.01 30.00 49.84 29.88 29.19 49.49 29.41 31.41 50.28 29.46 31.58 51.80 2 0 27.29-999 ?-999 ?-999 ? MG MG B 801 mASP~F 14 27.70 29.76 49.80 27.14 30.52 50.13 27.53 28.21 47.87 27.90 27.08 47.53 27.15 28.49 49.32 25.63 28.48 49.44 2 0 28.87-999 ?-999 ?-999 ? MG MG B 801 mSER~F 15 27.41 29.22 47.01 27.09 30.08 47.43 29.19 28.71 45.42 29.51 27.78 44.66 27.72 29.09 45.60 27.41 30.41 44.88 2 0 29.56-999 ?-999 ?-999 ? MG MG B 801 mGLN~F 16 30.07 29.41 46.14 29.66 30.14 46.68 31.78 27.66 46.54 32.56 26.96 45.90 31.50 29.10 46.12 32.27 30.05 47.04 2 0 31.24-999 ?-999 ?-999 ? MG MG B 801 mASN~F 17 31.14 27.23 47.63 30.56 27.92 48.07 30.89 24.83 47.09 31.59 23.85 46.85 31.31 25.86 48.13 30.53 25.66 49.43 2 0 33.31-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 18 29.75 25.07 46.46 29.28 25.91 46.75 30.15 24.11 44.20 30.40 23.03 43.64 29.24 24.16 45.43 27.78 24.47 45.10 2 0 34.47-999 ?-999 ?-999 ? MG MG B 801 mILE~F 19 30.65 25.28 43.78 30.33 26.08 44.30 32.86 24.60 42.96 33.36 23.86 42.11 31.58 25.36 42.66 31.87 26.82 42.29 3 0 35.38-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 20 33.38 24.75 44.18 32.87 25.35 44.79 34.39 22.54 44.47 35.25 21.82 43.96 34.61 24.05 44.53 35.14 24.50 45.89 2 0 37.38-999 ?-999 ?-999 ? MG MG B 801 mMET~F 21 33.23 22.10 44.96 32.65 22.82 45.34 32.76 20.17 43.49 33.30 19.10 43.14 32.85 20.67 44.93 31.50 20.46 45.63 2 0 39.18-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 22 32.10 20.95 42.64 31.75 21.80 43.03 33.26 20.54 40.48 33.48 19.66 39.64 31.93 20.57 41.24 30.88 21.45 40.55 3 0 39.98-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 23 34.16 21.48 40.78 33.84 22.15 41.45 36.32 20.28 40.59 37.06 19.71 39.78 35.50 21.51 40.18 36.25 22.77 40.60 3 0 41.26-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 24 36.17 19.88 41.85 35.56 20.44 42.40 36.37 17.47 41.63 37.16 16.65 41.15 36.88 18.71 42.37 36.68 18.59 43.88 2 0 43.48-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 25 35.05 17.35 41.51 34.54 18.11 41.91 34.82 16.13 39.36 34.90 15.04 38.78 34.44 16.21 40.84 32.92 16.27 41.01 3 0 44.85-999 ?-999 ?-999 ? MG MG B 801 mALA~F 26 35.08 17.28 38.75 35.00 18.08 39.34 36.98 17.29 37.11 37.43 17.18 35.96 35.46 17.34 37.33 34.86 18.61 36.70 2 0 45.61-999 ?-999 ?-999 ? MG MG B 801 mASN~F 27 37.75 17.32 38.19 37.23 17.18 39.04 39.61 18.70 37.25 40.49 18.58 36.38 39.22 17.53 38.16 40.00 16.24 37.82 2 0 46.99-999 ?-999 ?-999 ? MG MG B 801 mLEU.F 28 38.94 19.83 37.45 38.22 19.77 38.15 39.59 22.13 37.71 39.07 22.13 38.82 39.23 21.06 36.71 37.99 21.55 35.96 3 0 44.89-999 ?-999 ?-999 ? MG MG B 801 mSER~F 29 40.49 23.03 37.32 41.03 22.76 36.52 39.56 25.23 37.49 39.00 25.01 36.40 40.63 24.30 38.03 42.01 24.91 37.80 2 0 42.85-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 30 39.28 26.29 38.23 39.71 26.31 39.13 38.91 27.91 36.40 38.14 28.15 35.47 38.38 27.31 37.71 38.15 28.39 38.76 3 0 39.58-999 ?-999 ?-999 ? MG MG B 801 mGLY~F 31 40.23 28.12 36.33 40.72 27.92 37.18 40.60 27.66 33.93 40.23 28.10 32.84 40.88 28.59 35.10-999.99-999.99-999.99 1 0 41.49-999 ?-999 ?-999 ? MG MG B 801 mASP~F 32 40.77 26.35 34.16 41.11 26.13 35.08 39.02 25.43 32.67 38.74 25.36 31.46 40.46 25.35 33.12 40.71 23.92 33.60 2 0 44.24-999 ?-999 ?-999 ? MG MG B 801 mPHE~F 33 38.09 25.55 33.63 38.45 25.54 34.57 36.47 26.84 32.31 35.82 26.69 31.28 36.68 25.67 33.29 35.79 25.84 34.54 3 0 41.85-999 ?-999 ?-999 ? MG MG B 801 mILE~F 34 37.01 28.01 32.66 37.50 28.01 33.53 37.49 28.96 30.42 36.89 29.34 29.40 36.87 29.20 31.81 37.49 30.43 32.51 3 0 40.50-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 35 38.66 28.31 30.38 39.04 28.08 31.27 38.43 27.09 28.18 38.43 27.25 26.95 39.29 28.00 29.07 40.71 27.41 29.24 2 0 44.14-999 ?-999 ?-999 ? MG MG B 801 mILE~F 36 37.72 26.14 28.78 37.84 26.08 29.78 35.63 26.04 27.56 35.23 26.02 26.40 36.84 25.25 28.01 36.39 24.03 28.83 3 0 45.17-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 37 35.05 26.77 28.51 35.50 26.74 29.40 34.04 28.58 27.12 33.11 28.87 26.34 33.85 27.53 28.23 33.36 28.19 29.52 2 0 42.19-999 ?-999 ?-999 ? MG MG B 801 mARG~F 38 35.24 29.17 27.04 35.90 28.83 27.71 35.99 29.65 24.71 36.20 30.39 23.75 35.55 30.23 26.06 36.63 31.17 26.59 2 0 42.82-999 ?-999 ?-999 ? MG MG B 801 mGLY.F 39 36.15 28.33 24.65 36.00 27.85 25.52 38.03 27.56 23.14 38.44 27.29 22.00 36.53 27.65 23.40-999.99-999.99-999.99 1 0 46.53-999 ?-999 ?-999 ? MG MG B 801 mSER.F 40 38.85 27.74 24.17 38.38 27.89 25.04 40.94 26.41 24.42 42.13 26.17 24.16 40.30 27.73 24.01 40.93 28.88 24.80 2 0 47.97-999 ?-999 ?-999 ? MG MG B 801 mMET.F 41 40.16 25.54 25.04 39.21 25.85 25.13 39.66 23.19 25.22 38.45 23.40 25.32 40.67 24.27 25.55 40.90 24.35 27.08 2 0 49.19-999 ?-999 ?-999 ? MG MG B 801 mASP.F 42 40.17 22.04 24.78 41.15 22.07 24.59 38.78 20.42 25.95 39.44 20.54 26.97 39.35 20.84 24.62 40.21 19.66 24.16 2 0 51.23-999 ?-999 ?-999 ? MG MG B 801 mMET.F 43 37.57 19.89 25.92 37.09 19.99 25.04 37.83 17.95 27.37 37.84 17.03 26.55 37.01 19.21 27.07 35.59 18.80 26.70 2 0 49.82-999 ?-999 ?-999 ? MG MG B 801 mPRO.F 44 38.54 17.90 28.52 38.52 18.71 29.10 38.35 15.46 28.88 37.21 15.56 29.33 39.29 16.67 28.84 39.91 16.97 30.21 3 0 51.73-999 ?-999 ?-999 ? MG MG B 801 mLYS.F 45 38.81 14.32 28.38 39.79 14.31 28.14 37.39 12.63 29.55 36.34 11.98 29.58 37.91 13.19 28.22 38.51 12.11 27.31 2 0 53.99-999 ?-999 ?-999 ? MG MG B 801 mGLY.F 46 38.10 12.92 30.63 38.94 13.43 30.43 36.64 13.39 32.64 36.12 13.05 33.71 37.69 12.52 31.98-999.99-999.99-999.99 1 0 52.65-999 ?-999 ?-999 ? MG MG B 801 mVAL.F 47 36.31 14.53 32.03 36.77 14.69 31.16 33.90 15.00 32.36 33.49 14.91 31.19 35.33 15.44 32.64 35.54 16.90 32.18 3 0 49.05-999 ?-999 ?-999 ? MG MG B 801 mASN~F 48 33.14 14.72 33.42 33.62 14.76 34.29 30.95 15.58 32.74 31.05 16.69 33.29 31.73 14.38 33.26 31.12 13.88 34.58 2 0 48.22-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 49 30.18 15.37 31.68 30.13 14.41 31.40 28.37 17.08 31.84 28.17 18.30 31.83 29.48 16.47 31.00 28.88 15.97 29.69 2 0 46.88-999 ?-999 ?-999 ? MG MG B 801 mALA~F 50 27.65 16.23 32.58 27.88 15.27 32.48 27.16 17.59 34.61 26.56 18.62 34.96 26.59 16.74 33.45 25.69 15.61 33.95 2 0 44.59-999 ?-999 ?-999 ? MG MG B 801 mPHE~F 51 28.31 17.19 35.17 28.61 16.29 34.88 29.44 19.39 35.51 29.32 20.45 36.14 29.05 18.04 36.13 30.37 17.42 36.60 3 0 43.00-999 ?-999 ?-999 ? MG MG B 801 mPHE~F 52 29.96 19.33 34.28 30.04 18.41 33.89 29.18 21.50 33.40 29.31 22.71 33.60 30.36 20.56 33.59 31.01 20.24 32.24 3 0 42.63-999 ?-999 ?-999 ? MG MG B 801 mTHR~F 53 28.04 20.95 32.99 28.09 19.96 32.81 26.39 22.38 34.13 26.04 23.56 34.19 26.83 21.75 32.81 25.69 20.92 32.19 2 0 40.92-999 ?-999 ?-999 ? MG MG B 801 mGLN~F 54 26.41 21.59 35.20 26.71 20.66 35.02 26.96 23.17 36.99 26.53 24.16 37.60 26.01 22.07 36.51 26.00 20.91 37.50 2 0 38.53-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 55 28.25 22.97 36.74 28.44 22.10 36.28 29.02 25.24 36.36 29.10 26.32 36.96 29.28 23.93 37.08 30.64 23.39 36.64 3 0 37.86-999 ?-999 ?-999 ? MG MG B 801 mSER~F 56 28.71 25.15 35.06 28.69 24.22 34.71 27.26 27.13 34.88 27.33 28.37 34.99 28.42 26.35 34.26 28.06 25.99 32.82 2 0 37.13-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 57 26.21 26.42 35.28 26.31 25.43 35.17 25.40 27.75 37.14 24.96 28.88 37.40 25.03 27.07 35.83 23.90 26.07 36.05 2 0 34.57-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 58 26.19 27.08 37.96 26.52 26.20 37.62 27.46 28.85 39.16 27.34 29.82 39.94 26.52 27.65 39.27 27.05 26.58 40.25 2 0 32.82-999 ?-999 ?-999 ? MG MG B 801 mVAL~F 59 28.36 28.82 38.18 28.38 27.98 37.64 28.43 31.18 37.49 28.68 32.31 37.93 29.25 29.97 37.96 30.40 29.63 36.96 3 0 32.79-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 60 27.44 30.94 36.64 27.40 30.00 36.31 25.75 32.56 37.44 25.57 33.78 37.57 26.50 32.01 36.23 25.48 31.49 35.21 2 0 31.18-999 ?-999 ?-999 ? MG MG B 801 mARG~F 61 25.32 31.68 38.34 25.52 30.72 38.11 25.51 32.99 40.42 25.07 34.03 40.92 24.62 32.10 39.54 24.15 30.89 40.33 2 0 28.52-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 62 26.78 32.59 40.58 27.00 31.73 40.13 27.89 34.79 40.79 27.93 35.79 41.52 27.73 33.38 41.38 29.09 32.68 41.45 3 0 27.87-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 63 28.01 34.85 39.48 28.02 33.95 39.03 26.89 37.00 39.02 27.01 38.21 39.29 28.12 36.13 38.76 28.29 35.87 37.27 2 0 27.57-999 ?-999 ?-999 ? MG MG B 801 mGLU~F 64 25.71 36.38 38.94 25.77 35.41 38.70 24.33 37.57 40.63 23.81 38.67 40.86 24.44 37.07 39.19 23.25 36.18 38.86 2 0 25.08-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 65 24.79 36.78 41.59 25.15 35.90 41.26 25.64 38.41 43.21 25.23 39.35 43.90 24.77 37.19 43.00 25.23 36.05 43.92 3 0 22.92-999 ?-999 ?-999 ? MG MG B 801 mILE~F 66 26.83 38.42 42.60 27.03 37.59 42.07 27.12 40.79 42.06 27.14 41.89 42.62 27.74 39.57 42.73 29.16 39.24 42.23 3 0 22.93-999 ?-999 ?-999 ? MG MG B 801 mASN~F 67 26.53 40.59 40.88 26.62 39.66 40.51 24.68 42.26 41.06 24.51 43.48 41.15 25.82 41.68 40.20 25.26 41.22 38.87 2 0 22.19-999 ?-999 ?-999 ? MG MG B 801 mALA~F 68 23.91 41.37 41.69 24.16 40.42 41.51 23.31 42.63 43.74 22.70 43.65 44.11 22.81 41.77 42.58 22.07 40.53 43.10 2 0 19.18-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 69 24.45 42.23 44.31 24.84 41.40 43.92 25.47 44.35 44.95 25.24 45.36 45.64 25.04 42.97 45.42 26.22 42.19 46.00 3 0 17.84-999 ?-999 ?-999 ? MG MG B 801 mASN~F 70 26.06 44.41 43.76 26.23 43.53 43.32 25.23 46.59 42.92 25.31 47.81 43.10 26.43 45.69 43.18 27.22 45.53 41.89 2 0 18.56-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 71 24.11 46.00 42.53 24.18 45.01 42.38 22.36 47.36 43.65 21.92 48.52 43.70 22.88 46.78 42.33 21.81 45.97 41.62 2 0 16.68-999 ?-999 ?-999 ? MG MG B 801 mILE~F 72 22.43 46.58 44.72 22.74 45.64 44.54 22.96 48.28 46.42 22.49 49.29 46.95 22.06 47.10 46.03 22.09 46.01 47.12 3 0 13.45-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 73 24.25 48.14 46.10 24.46 47.27 45.66 24.87 50.53 45.76 25.27 51.61 46.26 25.25 49.18 46.38 26.63 48.73 45.90 2 0 14.40-999 ?-999 ?-999 ? MG MG B 801 mLYS~F 74 24.09 50.50 44.69 23.83 49.59 44.38 22.85 52.66 44.98 22.86 53.88 44.82 23.66 51.74 44.05 22.94 51.45 42.72 2 0 14.30-999 ?-999 ?-999 ? MG MG B 801 mGLY~F 75 22.19 52.08 45.99 22.25 51.08 46.00 22.36 53.65 47.94 21.88 54.47 48.72 21.46 52.85 47.01-999.99-999.99-999.99 1 0 10.52-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 76 23.67 53.38 47.88 23.91 52.65 47.23 25.33 55.24 47.91 26.14 56.00 48.47 24.67 54.10 48.69 25.77 53.15 49.15 3 0 11.77-999 ?-999 ?-999 ? MG MG B 801 mLEU~F 77 25.00 55.34 46.62 24.37 54.64 46.30 24.95 57.75 46.12 23.78 57.86 46.51 25.56 56.40 45.78 25.34 56.09 44.30 3 0 14.43-999 ?-999 ?-999 ? MG MG B 801 mVAL.F 78 25.79 58.78 46.02 26.72 58.52 45.76 25.78 60.88 44.99 26.97 60.94 44.64 25.37 60.15 46.26 26.05 60.74 47.52 3 0 15.11-999 ?-999 ?-999 ? MG MG B 801 mPHE.F 79 24.78 61.38 44.27 23.89 61.26 44.72 25.45 61.07 41.90 26.06 61.48 40.91 24.96 62.04 42.96 25.91 63.25 43.05 3 0 17.77-999 ?-999 ?-999 ? MG MG B 801 mGLY.F 80 25.19 59.78 42.10 24.64 59.60 42.92 27.11 58.30 41.44 27.68 57.55 40.63 25.67 58.73 41.18-999.99-999.99-999.99 1 0 18.27-999 ?-999 ?-999 ? MG MG B 801 mSER.F 81 27.69 58.74 42.56 27.09 59.33 43.11 29.22 57.87 44.36 28.39 58.11 45.24 29.07 58.40 42.93 29.98 59.62 42.72 2 0 19.27-999 ?-999 ?-999 ? MG MG B 801