HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-FEB-08 3C5P COMPND PROTEIN BAS0735 OF UNKNOWN FUNCTION; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; SOURCE 3 ORGANISM_TAXID: 260799; SOURCE 4 STRAIN: STERNE; SOURCE 5 GENE: BAS0735, BA_0772, GBAA0772; 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: PMCSG19 AUTHOR Y.KIM,G.JOACHIMIAK,P.GORNICKI,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 15 8 HET MSE A 22 8 HET MSE A 24 8 HET MSE A 47 8 HET MSE A 112 8 HET MSE A 186 8 HET MSE B 15 8 HET MSE B 22 8 HET MSE B 24 8 HET MSE B 47 8 HET MSE B 112 8 HET MSE B 186 8 HET MSE C 1 8 HET MSE C 15 8 HET MSE C 22 8 HET MSE C 24 8 HET MSE C 47 8 HET MSE C 112 8 HET MSE C 186 8 HET MSE D 1 8 HET MSE D 15 8 HET MSE D 22 8 HET MSE D 24 8 HET MSE D 47 8 HET MSE D 112 8 HET MSE D 186 8 HET MSE E 1 8 HET MSE E 15 8 HET MSE E 22 8 HET MSE E 24 8 HET MSE E 47 8 HET MSE E 112 8 HET MSE E 186 8 HET MSE F 1 8 HET MSE F 15 8 HET MSE F 22 8 HET MSE F 24 8 HET MSE F 47 8 HET MSE F 112 8 HET MSE F 186 8 HET MG A 301 1 HET MG A 302 1 HET MG B 302 1 HET MG B 301 1 HET MG C 302 1 HET MG C 301 1 HET MG D 302 1 HET MG D 301 1 HET MG E 302 1 HET MG E 301 1 HET MG F 302 1 HET MG F 301 1 SITE 1 AC1 4 PRO A 126 ASP A 128 ASP A 148 LEU A 182 SITE 1 AC2 5 ASP A 148 ALA A 181 GLY A 183 ASN A 185 SITE 1 AC3 4 PRO B 126 ASP B 128 ASP B 148 LEU B 182 SITE 1 AC4 5 ASP B 148 ALA B 181 GLY B 183 ASN B 185 SITE 1 AC5 4 PRO C 126 ASP C 128 ASP C 148 LEU C 182 SITE 1 AC6 6 ASP C 148 ALA C 181 LEU C 182 GLY C 183 SITE 1 AC7 5 PRO D 126 ASP D 128 ASP D 148 LEU D 182 SITE 1 AC8 5 ASP D 148 ALA D 181 GLY D 183 ASN D 185 SITE 1 AC9 4 PRO E 126 ASP E 128 ASP E 148 LEU E 182 SITE 1 BC1 5 ASP E 148 ALA E 181 GLY E 183 ASN E 185 SITE 1 BC2 5 ASP F 148 ALA F 181 GLY F 183 ASN F 185 SITE 1 BC3 4 PRO F 126 ASP F 128 ASP F 148 LEU F 182 mMETA 1 50.56 -1.59 21.84 51.53 -1.41 21.96 48.29 -0.61 21.39 47.60 -0.55 20.36 49.10 -1.87 21.66 48.49 -2.60 22.87 2 0 35.86-999 ?-999 ?-999 ? MG MG B 302 mTHR.A 2 48.35 0.35 22.31 48.79 0.07 23.16 48.94 2.72 21.96 49.91 2.67 22.70 47.80 1.72 22.09 46.81 2.19 23.19 2 0 34.15-999 ?-999 ?-999 ? MG MG B 302 mASN.A 3 48.80 3.64 21.02 47.88 3.75 20.64 49.98 5.82 21.09 51.00 6.28 21.65 49.94 4.40 20.60 50.04 4.36 19.09 2 0 30.94-999 ?-999 ?-999 ? MG MG B 302 mILE^A 4 48.87 6.52 20.89 48.11 6.01 20.50 47.74 8.14 22.26 46.60 7.72 22.08 48.81 7.93 21.23 48.54 8.78 19.99 3 0 29.82-999 ?-999 ?-999 ? MG MG B 302 mILE^A 5 48.11 8.78 23.36 49.09 8.97 23.45 47.31 10.61 24.73 48.39 11.04 25.14 47.13 9.15 24.33 46.97 8.09 25.49 3 0 28.44-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 6 46.23 11.37 24.56 45.42 10.85 24.31 45.36 13.23 25.91 44.27 12.69 26.11 46.20 12.82 24.71 45.58 13.44 23.47 2 0 25.32-999 ?-999 ?-999 ? MG MG A 301 mILE^A 7 45.83 14.19 26.69 46.77 14.48 26.48 44.82 16.26 27.48 45.78 17.01 27.28 45.05 14.78 27.76 45.81 14.75 29.06 3 0 21.82-999 ?-999 ?-999 ? MG MG A 301 mARG^A 8 43.55 16.69 27.51 42.89 15.98 27.76 42.60 18.76 28.42 41.78 18.18 29.14 43.18 18.05 27.20 42.16 18.05 26.08 2 0 19.90-999 ?-999 ?-999 ? MG MG A 301 mALA^A 9 43.05 19.99 28.67 43.75 20.30 28.03 42.05 22.12 29.23 42.69 22.73 28.35 42.54 20.81 29.78 43.62 21.07 30.77 2 0 16.25-999 ?-999 ?-999 ? MG MG A 301 mSER^A 10 40.92 22.58 29.72 40.48 22.00 30.41 39.85 24.65 30.44 39.22 24.09 31.34 40.39 23.85 29.26 39.31 23.63 28.21 2 0 15.34-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 11 40.12 25.94 30.43 40.71 26.24 29.69 38.78 27.89 30.68 39.33 28.62 29.85 39.59 26.84 31.42 40.73 27.51 32.20 3 0 12.54-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 12 37.49 27.98 30.97 37.17 27.38 31.70 35.60 29.64 31.08 35.22 29.13 32.13 36.65 28.93 30.23 36.00 28.22 29.05 3 0 14.44-999 ?-999 ?-999 ? MG MG A 301 mILE.A 13 35.16 30.83 30.66 35.68 31.22 29.89 32.82 31.23 30.36 32.84 31.62 29.20 34.01 31.48 31.27 34.23 32.98 31.36 3 0 15.18-999 ?-999 ?-999 ? MG MG A 301 mPRO.A 14 31.76 30.58 30.88 31.86 30.32 31.84 29.73 31.50 29.53 29.21 31.43 28.42 30.58 30.30 30.06 29.75 29.38 30.95 3 0 18.63-999 ?-999 ?-999 ? MG MG A 301 mMETA 15 29.61 32.56 30.32 30.08 32.45 31.19 29.42 34.52 28.76 30.57 34.34 28.41 28.86 33.78 29.96 28.95 34.78 31.11 2 0 20.12-999 ?-999 ?-999 ? MG MG A 301 mSER.A 16 28.66 35.41 28.17 27.69 35.41 28.43 30.17 37.38 27.86 31.15 37.79 27.25 29.26 36.32 27.22 28.18 36.99 26.41 2 0 21.92-999 ?-999 ?-999 ? MG MG A 301 mTRP.A 17 29.86 37.81 29.08 29.12 37.31 29.52 30.68 38.66 31.13 29.78 38.10 31.73 30.54 38.94 29.69 29.73 40.22 29.51 3 0 20.19-999 ?-999 ?-999 ? MG MG A 301 mTHR.A 18 31.81 39.06 31.70 32.49 39.46 31.09 31.12 39.86 33.90 30.51 40.75 33.32 32.02 38.89 33.13 33.51 39.01 33.53 2 0 17.20-999 ?-999 ?-999 ? MG MG A 301 mGLU.A 19 31.02 39.61 35.20 31.50 38.78 35.48 30.75 41.89 35.97 31.95 42.16 35.90 30.30 40.44 36.15 30.72 39.94 37.54 2 0 18.08-999 ?-999 ?-999 ? MG MG A 301 mALA.A 20 29.81 42.83 35.90 28.88 42.47 35.98 30.82 44.85 36.96 30.36 44.64 38.07 30.13 44.24 35.72 28.85 45.00 35.39 2 0 20.45-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 21 31.92 45.60 36.79 32.29 45.55 35.86 32.40 47.89 37.62 32.55 48.30 36.48 32.50 46.40 37.91 33.97 46.08 38.16 2 0 19.76-999 ?-999 ?-999 ? MG MG A 301 mMETA 22 32.16 48.70 38.65 31.95 48.24 39.51 33.33 50.77 39.28 33.54 50.43 40.44 32.20 50.14 38.49 30.88 50.76 38.90 2 0 22.77-999 ?-999 ?-999 ? MG MG A 301 mASP^A 23 34.09 51.66 38.67 33.91 51.76 37.69 34.57 53.85 39.63 34.45 54.59 38.69 35.09 52.43 39.40 36.40 52.47 38.61 2 0 23.17-999 ?-999 ?-999 ? MG MG A 301 mMETA 24 34.27 54.24 40.85 34.42 53.58 41.59 34.76 56.68 40.62 34.38 57.81 40.31 33.74 55.61 41.00 33.20 55.93 42.39 2 0 26.53-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 25 36.06 56.33 40.63 36.22 55.37 40.88 36.98 57.83 38.89 37.05 59.02 38.68 37.12 57.28 40.31 38.49 56.64 40.50 2 0 26.87-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 26 36.76 56.92 37.95 36.59 56.01 38.31 35.33 57.32 35.99 35.10 57.99 35.00 36.75 57.21 36.53 37.38 56.07 35.76 2 0 27.36-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 27 34.38 56.67 36.64 34.71 56.14 37.43 32.70 55.54 35.33 31.59 55.36 34.89 32.99 56.72 36.23-999.99-999.99-999.99 1 0 28.36-999 ?-999 ?-999 ? MG MG A 301 mGLN^A 28 33.71 54.74 35.04 34.55 54.93 35.53 32.81 52.43 34.57 32.73 52.20 35.76 33.51 53.66 34.06 34.84 53.19 33.55 2 0 26.00-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 29 32.34 51.62 33.64 32.42 51.96 32.70 32.46 49.38 33.07 32.45 49.54 31.86 31.75 50.36 33.97 30.24 50.34 33.68 3 0 24.22-999 ?-999 ?-999 ? MG MG A 301 mILE^A 30 33.09 48.37 33.63 32.93 48.25 34.61 33.48 46.10 32.92 33.08 45.63 33.98 33.96 47.54 32.83 35.44 47.60 33.35 3 0 21.30-999 ?-999 ?-999 ? MG MG A 301 mGLN^A 31 33.54 45.39 31.81 33.62 45.91 30.96 34.33 43.30 30.78 34.60 43.92 29.77 33.51 43.94 31.89 32.08 43.42 31.93 2 0 19.50-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 32 34.75 42.06 31.02 34.42 41.68 31.88 34.82 40.28 29.36 33.82 39.78 29.89 35.61 41.33 30.11 36.74 40.70 30.90 3 0 17.78-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 33 35.26 39.96 28.15 36.10 40.41 27.88 34.71 37.57 27.72 35.78 37.16 28.13 34.53 39.02 27.31 34.87 39.19 25.85 2 0 19.25-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 34 33.63 36.80 27.62 32.82 37.27 27.27 33.80 34.48 26.80 34.27 34.87 25.69 33.66 35.41 27.99-999.99-999.99-999.99 1 0 18.18-999 ?-999 ?-999 ? MG MG A 301 mASP^A 35 33.40 33.23 27.00 32.97 33.06 27.89 32.27 31.66 25.52 32.22 30.76 24.68 33.59 32.21 26.00 34.49 31.10 26.54 2 0 19.41-999 ?-999 ?-999 ? MG MG A 301 mSER^A 36 31.18 32.21 26.05 31.34 32.70 26.91 29.61 30.67 24.95 29.21 30.43 23.81 29.88 32.10 25.40 29.81 33.04 24.19 2 0 22.25-999 ?-999 ?-999 ? MG MG A 301 mARG^A 37 29.84 29.71 25.84 30.05 30.04 26.76 29.60 27.41 26.66 29.97 27.79 27.77 29.77 28.31 25.45 31.01 27.89 24.66 2 0 22.54-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 38 29.04 26.22 26.43 28.72 26.08 25.50 30.14 24.30 27.50 31.18 24.62 26.93 28.92 25.22 27.48 27.64 24.42 27.29 2 0 22.44-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 39 30.00 23.16 28.17 29.12 23.04 28.63 31.17 21.43 26.90 30.15 21.00 26.36 31.09 22.18 28.20 30.90 21.21 29.36 3 0 21.60-999 ?-999 ?-999 ? MG MG A 302 mTHR^A 40 32.38 21.30 26.39 33.09 21.81 26.87 34.12 20.32 24.98 34.90 21.23 25.29 32.64 20.47 25.22 32.00 21.04 23.94 2 0 23.45-999 ?-999 ?-999 ? MG MG A 301 mPRO^A 41 34.52 19.16 24.42 33.79 18.54 24.16 36.45 19.39 22.89 37.64 19.29 22.60 35.94 18.87 24.23 35.98 17.34 24.25 3 0 23.44-999 ?-999 ?-999 ? MG MG A 301 mHIS^A 42 35.56 19.94 22.07 34.68 20.15 22.49 36.26 21.65 20.39 36.00 22.16 19.31 35.89 20.20 20.67 34.73 19.79 19.76 3 0 25.58-999 ?-999 ?-999 ? MG MG A 301 mALA^A 43 36.89 22.30 21.36 37.24 21.73 22.10 38.48 24.17 21.08 38.86 25.29 21.44 37.04 23.74 21.31 36.51 24.34 22.59 2 0 23.23-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 44 39.29 23.29 20.50 38.86 22.42 20.26 40.88 24.72 19.25 40.23 24.73 18.21 40.71 23.59 20.27 41.47 22.37 19.72 3 0 23.22-999 ?-999 ?-999 ? MG MG A 301 mASN^A 45 41.79 25.65 19.53 42.22 25.55 20.43 40.89 27.55 18.25 40.88 28.31 17.28 42.11 26.71 18.59 42.72 26.12 17.32 2 0 23.72-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 46 39.86 27.42 19.06 40.00 26.83 19.85 38.58 29.46 19.51 37.69 30.27 19.25 38.63 28.11 18.80 37.43 27.24 19.21 2 0 23.97-999 ?-999 ?-999 ? MG MG A 301 mMETA 47 39.55 29.69 20.39 40.19 28.93 20.50 38.45 31.14 22.06 38.18 32.25 22.47 39.64 30.93 21.13 39.76 32.12 20.17 2 0 21.19-999 ?-999 ?-999 ? MG MG A 301 mARG^A 48 37.74 30.06 22.37 38.03 29.23 21.90 37.04 29.52 24.68 36.28 28.77 25.29 36.64 30.11 23.33 35.42 29.37 22.79 2 0 20.20-999 ?-999 ?-999 ? MG MG A 301 mSER^A 49 38.24 29.86 25.13 38.81 30.35 24.47 39.84 30.41 26.93 40.66 30.81 26.11 38.68 29.52 26.48 39.05 28.04 26.61 2 0 16.57-999 ?-999 ?-999 ? MG MG A 301 mARG^A 50 39.89 30.70 28.23 39.17 30.29 28.78 42.29 30.87 28.75 43.33 31.51 28.51 40.94 31.57 28.76 40.61 32.03 30.19 2 0 13.50-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 51 42.29 29.56 29.00 41.37 29.20 29.15 43.17 27.39 28.49 42.10 26.85 28.79 43.52 28.75 29.06 44.04 28.50 30.51 3 0 12.96-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 52 44.10 26.84 27.72 44.96 27.34 27.71 45.23 24.93 26.95 46.26 25.55 26.67 43.89 25.62 26.98 43.57 26.04 25.58 2 0 15.86-999 ?-999 ?-999 ? MG MG A 301 mGLN^A 53 45.23 23.64 27.25 44.33 23.26 27.46 46.20 21.42 26.90 45.19 20.84 27.33 46.48 22.87 27.28 47.13 22.98 28.66 2 0 16.84-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 54 47.09 20.86 26.06 47.81 21.48 25.77 48.35 18.80 25.71 49.32 19.31 25.19 46.99 19.47 25.62 46.47 19.37 24.20 2 0 20.17-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 55 48.42 17.68 26.42 47.59 17.44 26.92 49.39 15.61 25.69 48.34 14.99 25.86 49.65 16.90 26.44 50.06 16.55 27.84 3 0 21.63-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 56 50.32 15.23 24.83 51.13 15.82 24.76 51.30 13.13 24.44 52.47 13.50 24.29 50.16 14.03 24.08 50.15 14.34 22.59 3 0 25.35-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 57 50.96 11.96 24.97 50.00 11.90 25.21 51.94 9.99 23.92 50.90 9.53 23.47 51.92 10.88 25.16 51.54 10.01 26.34 3 0 27.34-999 ?-999 ?-999 ? MG MG A 301 mASP^A 58 53.12 9.76 23.38 53.88 10.19 23.87 54.17 7.78 22.51 55.36 7.94 22.72 53.28 8.96 22.19 53.93 9.80 21.09 2 0 29.42-999 ?-999 ?-999 ? MG MG B 302 mPHE^A 59 53.57 6.60 22.57 52.61 6.59 22.28 55.12 4.86 21.88 56.27 4.42 22.05 54.30 5.43 23.02 53.38 4.39 23.61 3 0 31.82-999 ?-999 ?-999 ? MG MG B 302 mTYR^A 60 54.53 4.87 20.69 53.57 5.14 20.70 56.58 5.25 19.38 57.59 4.67 19.01 55.26 4.51 19.48 54.41 4.79 18.25 3 0 29.41-999 ?-999 ?-999 ? MG MG B 302 mLYS^A 61 56.57 6.53 19.70 55.69 6.88 20.02 58.61 7.38 20.89 59.77 7.78 20.86 57.78 7.35 19.60 57.41 8.79 19.17 2 0 27.92-999 ?-999 ?-999 ? MG MG B 302 mGLN^A 62 58.09 7.09 22.04 57.19 6.69 21.89 58.92 8.81 23.63 60.06 9.23 23.82 58.69 7.31 23.38 60.01 6.53 23.55 2 0 31.25-999 ?-999 ?-999 ? MG MG B 302 mGLU^A 63 57.80 9.62 23.61 56.93 9.13 23.60 56.60 11.66 24.30 55.51 11.12 24.17 57.82 11.09 23.61 57.80 11.63 22.18 2 0 29.75-999 ?-999 ?-999 ? MG MG B 302 mVAL^A 64 56.79 12.76 25.01 57.74 12.94 25.25 55.72 14.95 24.65 56.76 15.61 24.62 55.68 13.62 25.40 55.70 13.90 26.91 3 0 26.43-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 65 54.60 15.32 24.05 53.87 14.64 24.08 53.40 17.41 24.09 52.38 16.84 24.52 54.47 16.63 23.39 54.08 16.49 21.94 3 0 25.38-999 ?-999 ?-999 ? MG MG A 301 mSER^A 66 53.60 18.71 24.18 54.44 19.02 23.73 52.24 20.74 24.00 53.00 21.18 23.14 52.67 19.58 24.88 53.37 20.16 26.08 2 0 21.95-999 ?-999 ?-999 ? MG MG A 301 mTYR^A 67 51.04 21.26 24.25 50.52 20.76 24.94 49.91 23.37 24.56 49.14 22.91 25.40 50.56 22.45 23.54 49.56 22.08 22.45 3 0 20.97-999 ?-999 ?-999 ? MG MG A 301 mALA^A 68 50.22 24.65 24.50 50.83 24.91 23.74 49.15 26.88 24.85 49.77 27.52 23.99 49.70 25.59 25.48 50.75 25.89 26.51 2 0 17.81-999 ?-999 ?-999 ? MG MG A 301 mASN^A 69 47.98 27.29 25.28 47.49 26.70 25.93 46.69 29.34 25.77 46.20 28.79 26.76 47.50 28.56 24.79 46.77 28.40 23.46 2 0 17.24-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 70 46.59 30.63 25.51 47.19 30.92 24.77 44.72 32.21 25.26 45.13 32.56 24.14 45.68 31.52 26.25 46.47 32.57 27.05 2 0 15.34-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 71 43.47 32.42 25.65 43.24 32.03 26.54 42.81 34.64 24.67 43.82 35.15 25.13 42.53 33.15 24.80-999.99-999.99-999.99 1 0 17.05-999 ?-999 ?-999 ? MG MG A 301 mILE^A 72 41.93 35.38 24.04 41.15 34.91 23.63 41.30 37.43 25.06 40.17 37.03 25.18 42.18 36.79 24.02 41.89 37.37 22.64 3 0 18.54-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 73 41.81 38.38 25.83 42.80 38.51 25.74 40.53 40.48 26.08 41.35 41.25 25.58 40.93 39.17 26.72 41.54 39.40 28.14 2 0 17.17-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 74 39.23 40.70 26.08 38.69 39.95 26.46 37.96 42.62 26.72 37.09 42.03 27.36 38.65 41.92 25.57 37.60 41.56 24.55 2 0 20.09-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 75 38.33 43.85 27.00 39.11 44.22 26.48 36.69 45.57 27.33 37.08 46.23 26.36 37.61 44.58 28.02 38.55 45.24 29.02 2 0 20.18-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 76 35.44 45.61 27.80 35.26 44.96 28.53 34.30 47.61 28.34 33.92 47.33 29.47 34.45 46.53 27.28 33.14 45.79 27.08 2 0 23.24-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 77 34.63 48.84 27.99 34.95 48.94 27.04 33.41 50.87 28.49 33.42 51.36 27.37 34.53 49.94 28.93 35.84 50.72 29.02 3 0 24.63-999 ?-999 ?-999 ? MG MG A 301 mILE^A 78 32.45 51.12 29.36 32.47 50.58 30.20 31.83 53.40 29.82 31.85 53.44 31.05 31.45 52.12 29.07 30.04 51.65 29.49 3 0 27.62-999 ?-999 ?-999 ? MG MG A 301 mSER^A 79 32.15 54.44 29.05 32.07 54.28 28.07 31.41 56.49 30.20 30.26 56.26 29.81 32.57 55.71 29.63 33.30 56.55 28.59 2 0 29.65-999 ?-999 ?-999 ? MG MG A 301 mPRO^A 80 31.70 57.42 31.11 32.65 57.44 31.40 29.89 58.94 30.48 28.65 58.89 30.47 30.67 58.32 31.63 31.49 59.40 32.33 3 0 31.92-999 ?-999 ?-999 ? MG MG A 301 mASP^A 81 30.61 59.49 29.50 31.60 59.43 29.66 29.11 59.18 27.52 28.41 59.61 26.61 30.02 60.13 28.33 31.12 60.71 27.43 2 0 34.85-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 82 29.13 57.89 27.86 29.81 57.65 28.55 28.90 56.04 26.27 28.59 54.86 26.19 28.20 56.94 27.27-999.99-999.99-999.99 1 0 33.62-999 ?-999 ?-999 ? MG MG A 301 mSER^A 83 29.83 56.61 25.51 29.95 57.59 25.67 31.16 54.50 25.08 31.59 54.41 26.22 30.60 55.84 24.53 31.74 56.71 24.00 2 0 32.96-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 84 31.16 53.46 24.26 30.68 53.62 23.39 33.11 51.90 23.87 33.23 52.24 22.72 31.80 52.18 24.62 30.81 50.96 24.61 3 0 29.78-999 ?-999 ?-999 ? MG MG A 301 mASN^A 85 34.11 51.33 24.53 33.88 51.04 25.46 35.98 49.79 24.27 35.94 49.38 25.42 35.43 51.14 23.92 36.44 52.20 24.38 2 0 28.03-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 86 36.47 49.06 23.28 36.39 49.46 22.37 38.59 47.85 23.49 39.17 48.68 22.79 37.08 47.78 23.56 36.52 46.70 22.64 2 0 25.48-999 ?-999 ?-999 ? MG MG A 301 mARG^A 87 39.23 47.01 24.28 38.63 46.46 24.87 41.01 45.44 24.32 40.32 44.62 24.92 40.67 46.89 24.29 41.28 47.54 25.50 2 0 23.47-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 88 42.12 45.13 23.70 42.69 45.90 23.42 43.82 43.43 24.04 44.76 44.20 23.91 42.44 43.75 23.46 42.30 43.53 21.94 2 0 21.95-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 89 43.94 42.31 24.74 43.07 41.86 24.95 45.30 40.32 25.19 44.24 39.66 25.16 45.26 41.83 25.16-999.99-999.99-999.99 1 0 19.32-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 90 46.50 39.75 25.29 47.27 40.38 25.23 47.59 37.88 26.60 48.77 38.22 26.60 46.62 38.29 25.46 46.98 37.65 24.11 2 0 17.49-999 ?-999 ?-999 ? MG MG A 301 mALA^A 91 47.07 37.15 27.58 46.08 37.05 27.54 49.15 35.87 28.05 49.11 35.29 26.97 47.92 36.55 28.62 47.12 35.53 29.40 2 0 14.13-999 ?-999 ?-999 ? MG MG A 301 mSER^A 92 50.25 35.94 28.80 50.17 36.56 29.57 51.17 33.65 28.63 50.29 33.24 29.38 51.45 35.15 28.48 52.60 35.55 29.39 2 0 14.95-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 93 51.93 32.84 27.90 52.54 33.30 27.26 53.09 30.82 28.72 53.37 29.64 28.58 51.84 31.38 28.05 51.63 30.67 26.70 2 0 15.10-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 94 53.84 31.66 29.43 53.47 32.58 29.50 54.90 30.19 31.13 55.80 29.40 31.39 55.09 31.23 30.04 55.82 32.42 30.64 2 0 15.25-999 ?-999 ?-999 ? MG MG A 301 mASN^A 95 53.74 30.22 31.77 53.06 30.84 31.38 52.40 28.36 32.71 51.71 27.96 33.64 53.50 29.39 32.95 53.15 30.26 34.15 2 0 12.23-999 ?-999 ?-999 ? MG MG A 301 mILE^A 96 52.23 27.98 31.44 52.67 28.56 30.76 52.40 25.71 30.61 52.73 25.66 29.42 51.45 26.80 31.12 50.36 27.08 30.07 3 0 13.15-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 97 52.84 24.86 31.53 52.37 24.91 32.41 53.55 22.51 31.57 52.54 22.23 32.23 53.92 23.93 31.23 55.19 24.30 31.99 3 0 15.61-999 ?-999 ?-999 ? MG MG A 301 mCYH^A 98 54.40 21.62 31.08 55.17 22.03 30.59 55.65 19.76 31.70 56.63 19.79 30.95 54.28 20.21 31.25 53.90 19.58 29.91 2 0 17.93-999 ?-999 ?-999 ? MG MG A 301 mTHR^A 99 55.72 19.33 32.95 54.84 19.09 33.36 57.12 17.90 34.38 56.10 17.22 34.59 57.00 19.23 33.62 57.24 20.52 34.49 2 0 18.94-999 ?-999 ?-999 ? MG MG A 301 mASP^A 100 58.36 17.54 34.74 59.06 18.17 34.43 58.24 15.06 34.82 57.58 14.21 35.41 58.66 16.33 35.53 57.94 16.31 36.90 2 0 21.32-999 ?-999 ?-999 ? MG MG A 301 mILE^A 101 58.61 14.95 33.54 59.10 15.75 33.19 59.25 12.68 33.21 60.46 12.87 33.22 58.31 13.77 32.74 58.52 14.06 31.23 3 0 23.91-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 102 58.69 11.56 33.65 57.69 11.56 33.65 59.01 9.10 33.46 57.83 8.75 33.54 59.49 10.42 34.08 59.58 10.37 35.62 3 0 26.71-999 ?-999 ?-999 ? MG MG A 301 mTRP^A 103 59.94 8.39 32.81 60.86 8.78 32.84 59.93 5.88 32.96 60.89 5.83 33.75 59.61 7.14 32.13 60.26 7.09 30.74 3 0 30.00-999 ?-999 ?-999 ? MG MG A 301 mASN^A 104 59.10 4.85 32.78 58.30 5.09 32.23 59.02 2.43 32.27 58.78 2.76 31.10 59.35 3.51 33.33 58.56 3.32 34.63 2 0 32.60-999 ?-999 ?-999 ? MG MG A 301 mSER^A 105 59.00 1.15 32.67 59.22 1.02 33.63 57.26 0.10 31.11 57.07 -0.16 29.91 58.68 0.04 31.71 58.88 -1.32 32.37 2 0 35.79-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 106 56.27 0.44 31.95 56.57 0.70 32.86 54.13 1.73 31.70 53.04 1.78 32.30 54.86 0.41 31.55-999.99-999.99-999.99 1 0 34.24-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 107 54.74 2.80 31.17 55.63 2.60 30.76 55.04 5.32 31.50 56.26 5.22 31.57 54.14 4.13 31.22-999.99-999.99-999.99 1 0 30.77-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 108 54.38 6.47 31.66 53.39 6.38 31.59 54.21 8.52 32.89 53.01 8.33 32.96 55.06 7.72 31.92 55.30 8.49 30.58 3 0 27.66-999 ?-999 ?-999 ? MG MG A 301 mGLN^A 109 54.84 9.38 33.68 55.83 9.26 33.72 54.75 11.79 34.29 55.90 11.94 33.89 54.11 10.40 34.42 53.91 10.02 35.87 2 0 24.16-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 110 53.97 12.80 34.60 53.10 12.52 35.01 53.33 15.03 35.13 52.25 14.55 35.51 54.34 14.18 34.38 54.33 14.52 32.88 3 0 21.02-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 111 53.67 16.29 35.38 54.62 16.53 35.19 52.33 18.25 34.85 53.22 18.78 34.18 52.67 17.19 35.90 53.12 17.83 37.21 2 0 17.27-999 ?-999 ?-999 ? MG MG A 301 mMETA 112 51.04 18.54 34.71 50.43 17.90 35.17 50.22 20.82 34.87 49.41 20.61 35.77 50.59 19.69 33.92 49.35 19.36 33.10 2 0 15.22-999 ?-999 ?-999 ? MG MG A 301 mSER^A 113 50.82 21.99 34.68 51.51 21.99 33.96 50.24 24.36 34.61 50.98 24.61 33.65 50.46 23.17 35.47 51.49 23.51 36.54 2 0 11.74-999 ?-999 ?-999 ? MG MG A 301 mALA^A 114 49.20 25.10 34.97 48.73 24.74 35.78 48.57 27.42 35.28 47.93 27.26 36.33 48.76 26.30 34.29 47.48 26.05 33.56 2 0 9.75-999 ?-999 ?-999 ? MG MG A 301 mSER^A 115 49.16 28.55 34.96 49.78 28.49 34.18 48.77 30.89 34.67 49.72 31.19 33.97 48.89 29.76 35.69 50.03 30.03 36.67 2 0 7.24-999 ?-999 ?-999 ? MG MG A 301 mALA^A 116 47.60 31.49 34.54 46.86 31.11 35.09 46.68 33.73 34.26 45.61 33.48 34.79 47.49 32.63 33.63 46.88 32.21 32.30 2 0 8.35-999 ?-999 ?-999 ? MG MG A 301 mSER^A 117 47.20 34.95 34.20 48.08 34.98 33.74 45.74 36.87 33.69 45.70 36.44 32.56 46.51 36.12 34.76 47.54 37.05 35.37 2 0 8.26-999 ?-999 ?-999 ? MG MG A 301 mASN^A 118 45.12 37.97 34.04 45.19 38.20 35.01 45.28 39.93 32.62 45.53 40.81 33.42 44.40 38.76 33.04 43.06 39.25 33.60 2 0 11.13-999 ?-999 ?-999 ? MG MG A 301 mPRO^A 119 45.74 39.96 31.36 45.36 39.27 30.74 46.22 42.39 31.06 47.03 43.31 31.12 46.72 40.95 30.96 46.98 40.62 29.50 3 0 14.19-999 ?-999 ?-999 ? MG MG A 301 mLEU^A 120 44.90 42.60 31.09 44.34 41.78 31.13 43.92 44.51 32.40 43.62 45.70 32.51 44.40 43.98 31.06 43.29 44.17 30.03 3 0 16.22-999 ?-999 ?-999 ? MG MG A 301 mASN^A 121 43.87 43.65 33.40 44.04 42.70 33.12 44.59 43.37 35.71 44.49 42.16 35.98 43.59 44.04 34.78 42.17 43.63 35.13 2 0 14.21-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 122 45.57 44.13 36.19 45.45 45.11 36.03 46.39 43.17 38.33 46.96 42.22 38.89 46.72 43.52 36.89 48.03 44.38 36.78 3 0 12.85-999 ?-999 ?-999 ? MG MG A 301 mTYR^A 123 45.44 43.91 38.90 45.13 44.67 38.34 44.37 42.18 40.40 44.19 41.70 41.53 44.90 43.63 40.23 43.81 44.65 40.57 3 0 12.04-999 ?-999 ?-999 ? MG MG A 301 mALA^A 124 44.11 41.51 39.28 44.32 42.03 38.45 44.65 39.07 39.56 45.79 39.10 39.02 43.58 40.15 39.27 42.90 39.89 37.96 2 0 8.93-999 ?-999 ?-999 ? MG MG A 301 mPRO^A 125 44.32 38.13 40.44 43.43 38.26 40.89 45.09 36.01 39.53 44.03 35.99 38.94 45.22 36.99 40.69 44.67 36.39 41.97 3 0 5.40-999 ?-999 ?-999 ? MG MG A 301 mPRO^A 126 46.14 35.23 39.19 46.97 35.36 39.73 45.05 33.05 38.33 44.95 32.62 39.51 45.99 34.26 38.07 47.43 33.75 37.88 3 0 -4.45-999 ?-999 ?-999 ? MG MG A 301s mVAL^A 127 44.39 32.49 37.30 44.31 33.08 36.49 44.94 30.07 37.49 45.93 30.16 36.75 43.84 31.10 37.41 43.04 30.54 36.22 3 0 4.40-999 ?-999 ?-999 ? MG MG A 301 mASP^A 128 44.73 29.06 38.32 43.86 29.09 38.81 45.03 26.65 38.51 43.97 26.48 39.13 45.71 28.01 38.48 46.50 28.23 39.77 2 0 -4.83-999 ?-999 ?-999 ? MG MG A 301s mTYR^A 129 45.63 25.67 37.83 46.23 25.99 37.09 46.76 23.54 38.08 47.67 23.97 37.38 45.42 24.27 38.15 44.38 23.63 37.21 3 0 8.16-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 130 46.89 22.45 38.81 46.23 22.35 39.56 47.43 20.08 38.58 46.73 19.72 39.54 47.95 21.50 38.50 49.28 21.67 39.31 3 0 10.99-999 ?-999 ?-999 ? MG MG A 301 mLEU^A 131 47.76 19.28 37.56 48.22 19.73 36.79 48.70 17.01 37.56 49.62 17.26 36.77 47.45 17.86 37.60 46.54 17.43 36.47 3 0 14.55-999 ?-999 ?-999 ? MG MG A 301 mASN^A 132 48.72 16.00 38.43 48.00 16.05 39.12 49.06 13.78 37.69 48.10 13.20 38.20 49.71 14.94 38.37 50.16 14.55 39.76 2 0 17.63-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 133 49.57 13.47 36.50 50.38 13.98 36.24 49.95 11.38 35.37 51.10 11.65 35.03 48.95 12.45 35.69 48.27 13.01 34.41 3 0 20.46-999 ?-999 ?-999 ? MG MG A 301 mCYH^A 134 49.46 10.16 35.50 48.50 10.12 35.79 49.46 8.23 34.15 48.26 8.05 34.23 50.20 8.98 35.26 50.21 8.21 36.57 2 0 24.09-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 135 50.17 7.87 33.08 51.13 8.16 33.14 50.31 5.75 31.75 51.54 5.67 31.71 49.61 7.12 31.93 49.73 7.91 30.59 3 0 26.75-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 136 49.54 4.67 31.65 48.56 4.84 31.73 49.99 2.93 29.97 49.03 3.33 29.29 50.14 3.36 31.42 49.57 2.26 32.35 2 0 30.49-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 137 50.93 2.10 29.52 51.60 1.86 30.22 49.65 0.99 27.69 49.31 1.06 26.51 50.97 1.58 28.14 52.02 0.49 28.03 2 0 33.47-999 ?-999 ?-999 ? MG MG A 301 mASP^A 138 48.91 0.41 28.65 49.34 0.44 29.55 46.58 0.83 27.86 45.72 0.49 27.05 47.60 -0.20 28.39 47.10 -0.97 29.63 2 0 34.58-999 ?-999 ?-999 ? MG MG A 301 mGLY^A 139 46.74 2.09 28.31 47.51 2.20 28.93 45.24 3.92 29.11 44.94 5.10 29.01 45.86 3.19 27.93-999.99-999.99-999.99 1 0 31.58-999 ?-999 ?-999 ? MG MG A 301 mSER^A 140 45.03 3.26 30.24 45.40 2.33 30.26 45.10 4.98 32.07 46.34 4.94 32.09 44.28 3.90 31.34 43.70 2.85 32.31 2 0 29.49-999 ?-999 ?-999 ? MG MG A 302 mILE^A 141 44.41 5.94 32.67 43.42 5.83 32.65 44.71 7.26 34.74 43.66 6.84 35.19 45.09 7.05 33.29 44.85 8.36 32.52 3 0 25.88-999 ?-999 ?-999 ? MG MG A 302 mASP^A 142 45.57 7.99 35.44 46.30 8.39 34.89 45.84 9.64 37.26 47.03 9.99 37.25 45.46 8.19 36.87 46.39 7.18 37.53 2 0 23.43-999 ?-999 ?-999 ? MG MG A 302 mVAL^A 143 44.86 10.48 37.60 43.97 10.04 37.73 44.81 12.47 39.17 43.81 12.11 39.78 45.10 11.92 37.77 44.32 12.76 36.73 3 0 19.63-999 ?-999 ?-999 ? MG MG A 302 mGLN^A 144 45.71 13.33 39.67 46.53 13.41 39.10 45.49 15.56 40.59 46.53 16.15 40.25 45.51 14.09 40.93 46.65 13.87 41.93 2 0 16.68-999 ?-999 ?-999 ? MG MG A 302 mGLY^A 145 44.32 16.18 40.70 43.58 15.63 41.08 43.87 18.49 41.42 43.21 18.10 42.38 44.20 17.56 40.29-999.99-999.99-999.99 1 0 13.39-999 ?-999 ?-999 ? MG MG A 302 mGLU^A 146 44.34 19.72 41.30 45.06 19.82 40.61 43.55 21.98 41.19 44.20 22.12 40.16 43.86 20.81 42.11 44.95 21.24 43.03 2 0 9.70-999 ?-999 ?-999 ? MG MG A 302 mHIS^A 147 42.60 22.84 41.54 42.08 22.57 42.36 41.63 25.14 41.55 40.85 24.81 42.45 42.35 24.07 40.77 41.53 23.77 39.54 3 0 7.27-999 ?-999 ?-999 ? MG MG A 302 mASP^A 148 41.87 26.42 41.20 42.61 26.53 40.54 39.60 27.29 41.47 39.24 26.64 40.47 41.08 27.54 41.75 41.50 28.88 41.13 2 0 4.25-999 ?-999 ?-999 ? MG MG A 302s mGLY^A 149 38.72 27.79 42.35 39.16 28.36 43.05 36.49 28.21 41.17 35.28 28.06 41.07 37.26 27.53 42.29-999.99-999.99-999.99 1 0 6.01-999 ?-999 ?-999 ? MG MG A 302 mPHE^A 150 37.20 28.94 40.32 38.19 28.89 40.46 37.61 29.93 38.16 38.81 30.08 38.45 36.58 29.74 39.29 36.13 31.10 39.89 3 0 8.03-999 ?-999 ?-999 ? MG MG A 302 mPRO^A 151 37.17 29.94 36.87 37.94 30.05 36.25 35.39 28.36 36.16 35.38 27.63 37.13 35.81 29.82 36.33 35.91 30.54 34.98 3 0 10.82-999 ?-999 ?-999 ? MG MG A 302 mCYH^A 152 35.04 27.94 34.95 34.95 28.66 34.27 36.08 25.77 34.26 36.95 26.37 33.59 34.81 26.51 34.70 33.74 26.30 33.63 2 0 13.16-999 ?-999 ?-999 ? MG MG A 302 mPHE^A 153 36.17 24.49 34.63 35.41 24.16 35.19 36.83 22.38 33.59 35.83 21.83 34.02 37.32 23.65 34.24 38.21 23.30 35.43 3 0 13.40-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 154 37.51 21.93 32.55 38.24 22.53 32.24 38.44 19.92 31.52 39.38 20.54 30.99 37.18 20.64 31.95 36.22 20.81 30.76 2 0 16.67-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 155 38.46 18.61 31.76 37.63 18.26 32.20 39.10 16.51 30.71 38.12 15.89 31.17 39.60 17.77 31.41 40.41 17.41 32.66 3 0 18.09-999 ?-999 ?-999 ? MG MG A 301 mTYR^A 156 39.76 16.14 29.61 40.53 16.73 29.38 40.58 14.18 28.41 41.67 14.74 28.27 39.38 14.97 28.83 38.68 15.39 27.56 3 0 21.79-999 ?-999 ?-999 ? MG MG A 301 mLYS^A 157 40.38 12.89 28.19 39.47 12.55 28.47 40.89 11.53 26.27 39.68 11.35 26.11 41.42 12.06 27.58 41.87 10.92 28.51 2 0 24.38-999 ?-999 ?-999 ? MG MG A 301 mGLN^A 158 41.79 11.32 25.32 42.73 11.53 25.59 42.54 9.93 23.53 43.69 10.34 23.51 41.43 10.82 24.00 41.26 11.97 23.01 2 0 27.53-999 ?-999 ?-999 ? MG MG A 301 mVAL^A 159 42.21 8.72 23.12 41.24 8.55 22.95 43.17 7.12 21.58 42.10 6.66 21.18 43.25 7.74 22.95 43.12 6.67 24.04 3 0 30.39-999 ?-999 ?-999 ? MG MG A 301 mASP^A 160 44.31 7.11 20.86 45.08 7.54 21.33 43.34 7.13 18.62 42.58 6.39 17.97 44.41 6.53 19.51 44.21 5.00 19.54 2 0 30.50-999 ?-999 ?-999 ? MG MG B 302 mPHE^A 161 43.22 8.46 18.66 43.77 8.91 19.36 40.86 8.90 17.83 40.07 9.35 16.96 42.36 9.19 17.73 42.81 8.94 16.28 3 0 28.70-999 ?-999 ?-999 ? MG MG B 302 mGLY^A 162 40.46 8.17 18.87 41.21 7.86 19.46 38.28 9.00 19.75 38.70 10.18 19.71 39.06 7.86 19.11-999.99-999.99-999.99 1 0 31.98-999 ?-999 ?-999 ? MG MG B 302 mPRO^A 163 37.14 8.66 20.37 36.95 7.68 20.46 36.80 10.18 22.20 37.62 9.49 22.80 36.27 9.72 20.86 34.90 9.04 21.00 3 0 31.46-999 ?-999 ?-999 ? MG MG A 301 mPHE^A 164 36.37 11.35 22.65 35.70 11.79 22.04 36.10 11.36 25.11 34.93 11.00 25.02 36.82 11.95 23.89 36.49 13.43 23.86 3 0 27.77-999 ?-999 ?-999 ? MG MG A 301 mGLU^A 165 36.78 11.29 26.24 37.74 11.55 26.17 36.35 11.89 28.58 37.45 12.42 28.76 36.16 10.85 27.48 36.76 9.52 27.92 2 0 26.61-999 ?-999 ?-999 ? MG MG A 302 mLYS^A 166 35.28 12.18 29.31 34.45 11.68 29.05 36.18 12.63 31.58 35.91 11.56 32.13 35.34 13.14 30.41 33.93 13.48 30.90 2 0 23.27-999 ?-999 ?-999 ? MG MG A 302 mILE^A 167 37.21 13.39 31.94 37.39 14.16 31.32 37.36 13.75 34.36 37.04 13.08 35.33 38.00 13.10 33.14 39.46 13.57 32.99 3 0 21.00-999 ?-999 ?-999 ? MG MG A 302 mTYR^A 168 37.18 15.07 34.30 37.46 15.48 33.43 36.23 17.23 34.92 36.93 17.83 34.10 36.64 15.84 35.41 37.67 15.97 36.53 3 0 17.89-999 ?-999 ?-999 ? MG MG A 302 mTHR^A 169 35.10 17.72 35.42 34.60 17.08 36.01 34.29 19.81 36.42 33.85 19.19 37.37 34.64 19.08 35.13 33.40 19.08 34.21 2 0 16.47-999 ?-999 ?-999 ? MG MG A 302 mHIS^A 170 34.51 21.12 36.44 34.99 21.47 35.63 33.23 23.12 37.03 33.67 23.89 36.17 34.06 21.96 37.55 35.26 22.49 38.35 3 0 13.54-999 ?-999 ?-999 ? MG MG A 302 mASP^A 171 32.01 23.24 37.56 31.79 22.57 38.26 30.85 25.26 38.26 30.06 24.97 39.15 31.10 24.28 37.12 29.78 23.67 36.63 2 0 14.65-999 ?-999 ?-999 ? MG MG A 302 mPHE^A 172 31.49 26.43 38.21 32.01 26.60 37.37 29.98 27.80 39.64 29.59 27.91 40.81 31.41 27.36 39.33 32.33 28.56 39.15 3 0 12.36-999 ?-999 ?-999 ? MG MG A 302 mARG^A 173 29.19 28.01 38.60 29.60 27.84 37.70 26.90 27.39 39.40 25.90 27.73 40.00 27.82 28.46 38.81 27.23 29.14 37.56 2 0 15.61-999 ?-999 ?-999 ? MG MG A 302 mGLU^A 174 27.28 26.12 39.30 28.04 25.98 38.67 27.15 24.85 41.45 26.61 24.06 42.22 26.60 25.05 40.05 26.69 23.69 39.33 2 0 16.91-999 ?-999 ?-999 ? MG MG A 302 mTHR^A 175 28.22 25.56 41.79 28.37 26.35 41.20 29.06 26.26 43.99 29.53 26.03 45.10 29.08 25.19 42.91 30.51 25.03 42.40 2 0 13.91-999 ?-999 ?-999 ? MG MG A 302 mGLY^A 176 28.53 27.42 43.63 28.19 27.44 42.68 29.63 29.50 44.44 29.66 30.49 45.16 28.44 28.55 44.52-999.99-999.99-999.99 1 0 13.62-999 ?-999 ?-999 ? MG MG A 302 mASP^A 177 30.60 29.21 43.58 30.39 28.48 42.94 31.84 31.20 42.76 30.96 31.38 41.93 31.87 29.94 43.61 33.02 29.04 43.18 2 0 10.25-999 ?-999 ?-999 ? MG MG A 302 mTHR^A 178 32.82 32.07 42.99 33.48 31.79 43.68 34.34 33.75 41.99 35.26 33.11 42.50 32.90 33.33 42.26 32.17 34.45 43.01 2 0 10.19-999 ?-999 ?-999 ? MG MG A 302 mALA^A 179 34.54 34.82 41.21 33.70 35.28 40.93 36.82 35.52 42.02 38.04 35.60 41.88 35.90 35.25 40.82 35.84 36.46 39.90 2 0 9.28-999 ?-999 ?-999 ? MG MG A 302 mALA^A 180 36.23 35.66 43.20 35.23 35.70 43.18 37.92 34.51 44.51 39.04 34.61 45.01 37.01 35.73 44.42 36.08 35.79 45.62 2 0 7.77-999 ?-999 ?-999 ? MG MG A 302 mALA^A 181 37.43 33.38 44.02 36.59 33.49 43.50 39.36 31.94 43.42 40.01 30.90 43.45 38.08 32.08 44.23 37.12 30.96 43.87 2 0 -4.63-999 ?-999 ?-999 ? MG MG A 302s mLEU^A 182 39.73 33.00 42.72 39.16 33.81 42.88 42.07 33.36 42.59 43.17 33.02 42.21 40.85 32.99 41.82 40.67 34.08 40.79 3 0 -4.50-999 ?-999 ?-999 ? MG MG A 301s mGLY^A 183 41.88 34.12 43.64 40.94 34.47 43.72 43.15 33.22 45.51 42.68 32.12 45.19 42.94 34.42 44.60-999.99-999.99-999.99 1 0 -4.64-999 ?-999 ?-999 ? MG MG A 301s mGLY^A 184 43.85 33.43 46.62 44.17 34.37 46.74 44.99 31.28 46.99 45.74 31.53 46.04 44.11 32.36 47.58-999.99-999.99-999.99 1 0 4.07-999 ?-999 ?-999 ? MG MG A 302 mASN^A 185 44.90 30.07 47.53 44.43 30.05 48.41 44.36 28.05 46.22 43.20 28.45 46.23 45.46 28.90 46.87 46.32 28.07 47.82 2 0 -3.95-999 ?-999 ?-999 ? MG MG A 302s mMETA 186 44.73 26.92 45.64 45.68 26.64 45.80 42.78 25.42 45.68 43.09 24.38 46.26 43.79 26.16 44.82 44.53 25.18 43.91 2 0 4.10-999 ?-999 ?-999 ? MG MG A 302 mASP^A 187 41.58 25.96 45.75 41.40 26.66 45.06 40.10 24.14 46.55 39.83 23.43 47.51 40.60 25.57 46.76 39.43 26.57 46.78 2 0 -4.72-999 ?-999 ?-999 ? MG MG A 302s mTYR^A 188 39.99 23.71 45.30 40.31 24.36 44.61 40.52 21.36 44.73 41.66 21.71 44.40 39.44 22.39 44.99 38.51 22.46 43.77 3 0 7.86-999 ?-999 ?-999 ? MG MG A 302 mSER^A 189 40.17 20.08 44.87 39.32 19.93 45.38 40.15 17.81 43.88 38.97 17.74 44.22 40.99 19.00 44.32 42.09 18.58 45.29 2 0 10.90-999 ?-999 ?-999 ? MG MG A 302 mPHE^A 190 40.73 16.91 43.08 41.66 17.13 42.81 40.97 14.53 42.34 42.15 14.74 42.09 40.03 15.69 42.67 39.11 15.98 41.49 3 0 14.48-999 ?-999 ?-999 ? MG MG A 302 mTHR^A 191 40.41 13.32 42.36 39.46 13.35 42.65 40.26 11.41 40.92 39.04 11.37 41.02 41.09 12.09 41.99 41.25 11.15 43.22 2 0 18.04-999 ?-999 ?-999 ? MG MG A 302 mLYS^A 192 40.92 10.89 39.90 41.91 11.02 39.90 41.02 9.16 38.14 42.11 9.44 37.63 40.19 10.20 38.86 39.59 11.19 37.86 2 0 20.69-999 ?-999 ?-999 ? MG MG A 302 mARG^A 193 40.50 7.93 38.16 39.73 7.82 38.79 40.06 6.54 36.20 38.88 6.24 36.43 41.02 6.85 37.34 41.28 5.60 38.18 2 0 24.30-999 ?-999 ?-999 ? MG MG A 302 mLEU^A 194 40.56 6.65 34.97 41.48 7.06 34.96 40.47 4.98 33.12 40.93 5.00 31.98 39.85 6.23 33.77 39.77 7.37 32.75 3 0 26.30-999 ?-999 ?-999 ? MG MG A 302 mTHR^B 2 24.10 29.65 13.99 23.16 29.97 14.16 26.62 30.16 14.16 26.72 31.27 13.59 25.51 29.18 13.74 25.76 28.84 12.25 2 0 34.15-999 ?-999 ?-999 ? MG MG A 301 mASN^B 3 27.47 29.75 15.11 27.37 28.80 15.38 29.89 30.41 15.22 30.60 31.31 14.76 28.47 30.66 15.68 28.49 30.55 17.19 2 0 30.82-999 ?-999 ?-999 ? MG MG A 301 mILE^B 4 30.30 29.16 15.39 29.59 28.52 15.66 31.71 27.86 14.00 30.99 26.86 13.95 31.67 28.78 15.20 32.16 28.07 16.48 3 0 29.77-999 ?-999 ?-999 ? MG MG A 301 mILE^B 5 32.53 28.19 13.01 32.88 29.13 13.01 34.37 27.02 11.76 35.07 27.99 11.58 32.85 27.18 12.03 31.93 27.22 10.78 3 0 28.41-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 6 34.83 25.78 11.76 34.11 25.09 11.77 36.65 24.58 10.54 35.92 23.67 10.16 36.26 25.44 11.74 36.59 24.73 13.03 2 0 25.27-999 ?-999 ?-999 ? MG MG B 302 mILE^B 7 37.79 24.92 9.93 38.25 25.70 10.35 39.69 23.74 9.20 40.52 24.55 9.65 38.33 24.21 8.78 38.55 25.14 7.56 3 0 21.73-999 ?-999 ?-999 ? MG MG B 302 mARG^B 8 39.93 22.43 9.08 39.18 21.91 8.68 41.96 21.25 8.33 41.37 20.63 7.46 41.19 21.84 9.52 40.94 20.75 10.58 2 0 19.90-999 ?-999 ?-999 ? MG MG B 302 mALA^B 9 43.27 21.45 8.28 43.64 21.97 9.05 45.21 20.14 7.71 45.91 20.56 8.64 44.07 20.95 7.16 44.62 22.08 6.31 2 0 16.24-999 ?-999 ?-999 ? MG MG B 302 mSER^B 10 45.41 18.96 7.16 44.74 18.65 6.48 47.36 17.68 6.40 46.79 17.17 5.43 46.56 18.21 7.58 46.16 17.10 8.54 2 0 15.35-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 11 48.68 17.82 6.47 48.99 18.45 7.18 50.38 16.08 6.35 51.09 16.44 7.29 49.56 17.10 5.56 50.53 18.03 4.81 3 0 12.53-999 ?-999 ?-999 ? MG MG B 302 mPHE^B 12 50.30 14.82 5.97 49.73 14.65 5.16 51.52 12.73 5.77 50.98 12.57 4.67 51.02 13.81 6.70 50.10 13.20 7.76 3 0 14.46-999 ?-999 ?-999 ? MG MG B 302 mILE^B 13 52.56 12.02 6.20 52.95 12.37 7.06 52.61 9.62 6.30 53.00 9.45 7.46 53.08 10.84 5.51 54.62 10.80 5.52 3 0 15.14-999 ?-999 ?-999 ? MG MG B 302 mPRO^B 14 51.79 8.77 5.69 51.61 8.94 4.72 52.23 6.62 6.90 51.92 5.92 7.83 51.23 7.69 6.45 50.20 7.09 5.49 3 0 18.49-999 ?-999 ?-999 ? MG MG B 301 mMETB 15 53.39 6.47 6.29 53.57 7.15 5.58 55.02 5.68 7.98 54.82 6.74 8.54 54.32 5.36 6.66 55.38 5.14 5.58 2 0 19.96-999 ?-999 ?-999 ? MG MG B 301 mSER^B 16 55.86 4.79 8.49 55.87 3.89 8.05 58.01 5.83 9.22 58.56 6.69 9.95 56.70 5.18 9.63 56.99 4.01 10.51 2 0 21.88-999 ?-999 ?-999 ? MG MG B 302 mTRP^B 17 58.50 5.39 8.06 57.99 4.64 7.64 59.41 6.14 6.00 58.65 5.39 5.43 59.69 5.95 7.47 60.89 5.07 7.74 3 0 20.31-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 18 59.99 7.18 5.42 60.41 7.85 6.04 60.83 6.19 3.36 61.68 5.58 4.02 60.02 7.32 3.97 60.62 8.66 3.54 2 0 17.48-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 19 60.56 5.90 2.09 59.83 6.45 1.69 62.78 5.19 1.36 63.18 6.35 1.25 61.30 4.87 1.37 60.79 4.76 -0.06 2 0 18.44-999 ?-999 ?-999 ? MG MG B 301 mALA^B 20 63.59 4.16 1.48 63.12 3.27 1.48 65.63 5.06 0.42 65.18 4.94 -0.70 65.03 4.30 1.59 65.67 2.91 1.68 2 0 20.65-999 ?-999 ?-999 ? MG MG B 301 mLYS^B 21 66.67 5.84 0.69 66.83 6.02 1.66 68.95 5.95 -0.17 69.61 6.43 0.75 67.50 6.37 -0.39 67.38 7.89 -0.47 2 0 19.85-999 ?-999 ?-999 ? MG MG B 301 mMETB 22 69.43 5.05 -1.01 68.79 4.74 -1.71 71.73 5.40 -1.73 71.38 5.88 -2.80 70.78 4.56 -0.91 70.83 3.13 -1.43 2 0 21.36-999 ?-999 ?-999 ? MG MG C 301 mASP^B 23 72.95 5.56 -1.25 73.11 5.10 -0.37 75.16 5.42 -2.09 75.90 5.31 -1.15 73.95 6.32 -1.95 74.31 7.55 -1.09 2 0 18.64-999 ?-999 ?-999 ? MG MG C 301 mMETB 24 75.36 4.74 -3.21 74.67 4.86 -3.93 77.85 4.76 -3.45 78.96 4.20 -3.59 76.56 3.90 -3.32 76.44 2.82 -4.40 2 0 20.55-999 ?-999 ?-999 ? MG MG C 301 mGLU^B 25 77.68 6.09 -3.38 76.73 6.37 -3.51 79.37 6.96 -1.72 80.59 7.11 -1.51 78.81 7.06 -3.14 78.44 8.54 -3.45 2 0 17.18-999 ?-999 ?-999 ? MG MG C 301 mTHR^B 26 78.48 6.71 -0.75 77.54 6.64 -1.09 78.47 5.19 1.35 78.68 5.07 2.55 78.84 6.55 0.66 78.35 7.80 1.53 2 0 17.22-999 ?-999 ?-999 ? MG MG C 301 mGLY^B 27 77.97 4.17 0.61 78.11 4.31 -0.37 76.01 3.23 2.06 75.32 2.29 2.50 77.29 2.95 1.20-999.99-999.99-999.99 1 0 20.96-999 ?-999 ?-999 ? MG MG C 301 mGLN^B 28 75.68 4.50 2.29 76.20 5.16 1.76 73.18 4.81 2.79 72.85 5.16 1.66 74.63 4.87 3.24 74.84 6.29 3.69 2 0 19.76-999 ?-999 ?-999 ? MG MG C 301 mVAL^B 29 72.30 4.45 3.71 72.72 4.15 4.57 70.32 5.62 4.31 70.64 5.72 5.49 70.87 4.49 3.48 70.21 3.15 3.86 3 0 21.47-999 ?-999 ?-999 ? MG MG C 301 mILE^B 30 69.53 6.49 3.70 69.39 6.29 2.72 67.40 7.43 4.37 66.86 6.94 3.37 68.92 7.62 4.41 69.33 9.06 3.82 3 0 19.89-999 ?-999 ?-999 ? MG MG C 301 mGLN^B 31 66.73 7.78 5.47 67.30 7.90 6.29 64.73 8.84 6.56 65.30 8.89 7.64 65.28 7.96 5.45 64.55 6.64 5.41 2 0 19.56-999 ?-999 ?-999 ? MG MG B 302 mPHE^B 32 63.63 9.54 6.26 63.31 9.36 5.33 61.76 9.85 7.92 61.11 8.93 7.38 62.97 10.47 7.19 62.54 11.72 6.43 3 0 17.71-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 33 61.46 10.34 9.12 62.03 11.10 9.44 59.03 10.17 9.34 58.81 11.33 8.99 60.38 9.78 9.89 60.45 10.19 11.34 2 0 19.18-999 ?-999 ?-999 ? MG MG B 302 mGLY^B 34 58.13 9.18 9.25 58.51 8.28 9.47 55.81 9.70 10.01 56.23 10.05 11.10 56.73 9.38 8.85-999.99-999.99-999.99 1 0 18.20-999 ?-999 ?-999 ? MG MG B 302 mASP^B 35 54.51 9.59 9.76 54.29 9.22 8.86 52.73 8.85 11.19 51.96 8.96 12.14 53.53 10.01 10.75 52.63 11.07 10.18 2 0 19.29-999 ?-999 ?-999 ? MG MG B 302 mSER^B 36 52.92 7.75 10.48 53.30 7.89 9.57 51.10 6.39 11.44 50.78 6.18 12.59 52.58 6.45 11.01 53.53 6.21 12.17 2 0 22.05-999 ?-999 ?-999 ? MG MG B 302 mARG^B 37 50.19 6.56 10.48 50.50 6.34 9.56 48.07 6.83 9.51 48.59 6.88 8.40 48.86 7.02 10.76 48.97 8.52 10.90 2 0 22.35-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 38 46.77 6.65 9.68 46.49 6.43 10.61 45.03 8.09 8.64 45.18 8.89 9.58 45.85 6.78 8.56 44.94 5.55 8.52 2 0 22.15-999 ?-999 ?-999 ? MG MG B 301 mPHE^B 39 44.17 8.33 7.66 44.14 7.63 6.94 42.50 9.66 8.93 41.77 8.74 9.28 43.36 9.55 7.66 42.47 9.59 6.41 3 0 21.17-999 ?-999 ?-999 ? MG MG B 301 mTHR^B 40 42.60 10.80 9.60 43.27 11.45 9.25 41.67 12.55 11.06 42.62 13.31 10.81 41.77 11.06 10.77 42.30 10.33 12.02 2 0 23.30-999 ?-999 ?-999 ? MG MG B 302 mPRO^B 41 40.51 12.99 11.55 39.81 12.28 11.66 41.01 14.76 13.21 41.34 15.93 13.44 40.31 14.40 11.90 38.79 14.51 12.05 3 0 23.57-999 ?-999 ?-999 ? MG MG B 302 mHIS^B 42 41.23 13.75 14.06 41.19 12.84 13.64 42.99 14.05 15.79 43.40 13.68 16.89 41.50 14.00 15.47 40.83 12.93 16.31 3 0 25.52-999 ?-999 ?-999 ? MG MG B 302 mALA^B 43 43.80 14.50 14.84 43.34 14.91 14.05 45.87 15.73 15.32 47.03 15.99 14.99 45.25 14.39 14.98 45.85 13.87 13.70 2 0 23.07-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 44 45.11 16.58 16.00 44.21 16.23 16.24 46.57 17.88 17.52 46.29 17.22 18.52 45.60 17.91 16.34 44.44 18.85 16.70 3 0 23.12-999 ?-999 ?-999 ? MG MG B 302 mASN^B 45 47.69 18.59 17.40 47.83 19.00 16.50 49.37 17.47 18.82 49.97 17.32 19.88 48.62 18.75 18.51 47.87 19.20 19.75 2 0 23.80-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 46 49.34 16.54 17.87 49.03 16.87 16.98 51.10 14.90 17.54 51.73 13.89 17.84 49.71 15.16 18.13 48.66 14.26 17.51 2 0 23.95-999 ?-999 ?-999 ? MG MG B 302 mMETB 47 51.57 15.83 16.72 50.97 16.61 16.60 52.90 14.60 15.03 53.97 14.13 14.67 52.87 15.71 16.07 53.99 15.48 17.08 2 0 21.23-999 ?-999 ?-999 ? MG MG B 302 mARG^B 48 51.73 14.21 14.54 50.93 14.64 14.98 51.18 13.92 12.16 50.32 13.42 11.45 51.62 13.24 13.45 50.66 12.11 13.83 2 0 20.04-999 ?-999 ?-999 ? MG MG B 302 mSER^B 49 51.79 15.07 11.88 52.32 15.45 12.63 52.96 16.39 10.19 53.70 16.86 11.05 51.67 15.70 10.57 50.53 16.72 10.55 2 0 16.45-999 ?-999 ?-999 ? MG MG B 302 mARG^B 50 53.22 16.46 8.89 52.68 15.84 8.32 53.76 18.79 8.58 54.50 19.62 9.07 54.23 17.36 8.38 54.48 17.08 6.89 2 0 13.33-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 51 52.51 19.06 8.21 52.00 18.28 7.86 50.52 20.30 8.86 49.78 19.38 8.51 51.95 20.40 8.31 51.92 21.05 6.92 3 0 12.94-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 52 50.15 21.23 9.72 50.87 21.91 9.90 48.35 22.70 10.31 49.12 23.64 10.58 48.84 21.28 10.35 49.02 20.96 11.80 2 0 15.91-999 ?-999 ?-999 ? MG MG B 302 mGLN^B 53 47.07 22.89 10.00 46.58 22.05 9.74 44.98 24.20 10.34 44.26 23.34 9.86 46.46 24.23 10.04 46.68 24.94 8.72 2 0 16.90-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 54 44.53 25.13 11.17 45.24 25.73 11.55 42.72 26.70 11.36 43.37 27.57 11.94 43.11 25.25 11.48 42.81 24.73 12.88 2 0 20.18-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 55 41.69 26.98 10.58 41.33 26.22 10.04 39.77 28.28 11.14 38.99 27.40 10.80 41.16 28.33 10.56 41.13 28.94 9.15 3 0 21.47-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 56 39.48 29.20 12.04 40.21 29.87 12.17 37.48 30.54 12.54 38.00 31.61 12.90 38.20 29.23 12.75 38.40 29.09 14.24 3 0 25.23-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 57 36.30 30.47 11.94 36.02 29.57 11.62 34.41 31.73 12.82 33.64 30.79 13.02 35.51 31.68 11.79 35.04 31.99 10.34 3 0 27.34-999 ?-999 ?-999 ? MG MG B 302 mASP^B 58 34.39 32.86 13.50 35.02 33.55 13.16 32.51 34.13 14.28 32.80 35.32 14.28 33.54 33.07 14.63 34.42 33.56 15.74 2 0 29.38-999 ?-999 ?-999 ? MG MG A 301 mPHE^B 59 31.32 33.69 13.95 31.19 32.71 14.01 29.71 35.39 14.70 29.23 36.49 14.55 30.29 34.63 13.53 29.21 33.93 12.74 3 0 31.88-999 ?-999 ?-999 ? MG MG A 301 mTYR^B 60 29.78 34.82 15.88 30.16 33.90 15.90 30.22 36.74 17.33 29.72 37.84 17.51 29.33 35.53 17.05 29.27 34.58 18.23 3 0 29.44-999 ?-999 ?-999 ? MG MG A 301 mLYS^B 61 31.53 36.55 17.36 31.79 35.60 17.19 32.83 38.44 16.36 33.46 39.49 16.45 32.50 37.62 17.61 33.82 37.03 18.13 2 0 27.75-999 ?-999 ?-999 ? MG MG A 301 mGLN^B 62 32.42 37.93 15.20 31.78 37.18 15.32 34.36 38.53 13.64 34.86 39.64 13.41 32.85 38.43 13.87 32.17 39.72 13.51 2 0 31.06-999 ?-999 ?-999 ? MG MG A 301 mGLU^B 63 35.05 37.38 13.66 34.46 36.57 13.61 37.03 36.03 13.08 36.37 34.97 13.06 36.51 37.27 13.76 36.87 37.10 15.21 2 0 29.66-999 ?-999 ?-999 ? MG MG A 301 mVAL^B 64 38.25 36.10 12.56 38.64 37.03 12.54 40.17 34.58 12.87 40.95 35.49 13.19 38.92 34.89 12.06 39.24 34.99 10.57 3 0 26.42-999 ?-999 ?-999 ? MG MG B 302 mPHE^B 65 40.33 33.31 13.24 39.59 32.71 12.94 42.20 31.70 13.29 41.56 30.94 12.59 41.51 32.84 14.01 41.11 32.39 15.41 3 0 25.21-999 ?-999 ?-999 ? MG MG B 302 mSER^B 66 43.50 31.57 13.46 43.93 32.27 14.03 45.35 29.91 13.61 46.07 30.63 14.27 44.21 30.46 12.82 44.75 30.88 11.48 2 0 21.91-999 ?-999 ?-999 ? MG MG B 302 mTYR^B 67 45.56 28.62 13.47 44.94 28.14 12.86 47.42 27.29 13.10 46.83 26.70 12.19 46.62 27.97 14.17 46.02 26.95 15.12 3 0 21.03-999 ?-999 ?-999 ? MG MG B 302 mALA^B 68 48.75 27.38 13.19 49.08 27.90 13.98 50.68 25.98 12.91 51.19 26.46 13.90 49.62 26.74 12.20 50.27 27.75 11.36 2 0 17.78-999 ?-999 ?-999 ? MG MG B 302 mASN^B 69 51.06 24.82 12.40 50.55 24.51 11.59 52.80 23.11 12.07 52.19 22.71 11.10 52.14 24.09 13.00 51.67 23.38 14.25 2 0 17.35-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 70 54.06 22.76 12.37 54.42 23.24 13.16 55.29 20.62 12.49 55.46 20.80 13.69 54.82 21.76 11.59 56.08 22.37 10.84 2 0 15.49-999 ?-999 ?-999 ? MG MG B 302 mGLY^B 71 55.52 19.45 11.91 55.31 19.41 10.93 57.54 18.44 12.91 58.19 19.31 12.36 56.04 18.34 12.69-999.99-999.99-999.99 1 0 17.03-999 ?-999 ?-999 ? MG MG B 302 mILE^B 72 58.09 17.54 13.72 57.46 16.96 14.23 60.00 16.57 12.65 59.35 15.62 12.32 59.53 17.44 13.81 59.98 16.80 15.10 3 0 18.69-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 73 61.12 16.94 12.03 61.47 17.82 12.35 62.94 15.34 11.65 63.76 15.89 12.41 61.79 16.15 11.00 62.33 17.10 9.90 2 0 17.14-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 74 62.97 14.05 11.38 62.25 13.72 10.77 64.60 12.43 10.81 63.88 11.78 10.07 63.99 13.20 11.95 63.41 12.21 12.98 2 0 19.98-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 75 65.92 12.50 10.64 66.42 13.12 11.23 67.29 10.54 10.22 68.00 10.72 11.20 66.50 11.69 9.60 67.34 12.52 8.66 2 0 20.12-999 ?-999 ?-999 ? MG MG C 301 mLYS^B 76 67.13 9.35 9.67 66.50 9.33 8.89 68.88 7.84 9.12 68.57 7.70 7.94 67.82 8.19 10.14 66.81 7.07 10.20 2 0 21.84-999 ?-999 ?-999 ? MG MG C 301 mVAL^B 77 70.12 7.66 9.52 70.29 7.82 10.49 71.76 5.93 8.94 72.38 5.84 9.99 71.13 7.26 8.54 72.21 8.35 8.40 3 0 20.24-999 ?-999 ?-999 ? MG MG C 301 mILE^B 78 71.61 4.91 8.11 71.00 5.08 7.33 73.58 3.68 7.59 73.57 4.00 6.42 72.29 3.65 8.36 71.48 2.41 7.92 3 0 22.79-999 ?-999 ?-999 ? MG MG C 301 mSER^B 79 74.68 3.33 8.26 74.49 3.07 9.21 76.42 1.94 7.26 75.70 0.99 7.55 76.03 3.33 7.67 77.04 3.87 8.67 2 0 21.88-999 ?-999 ?-999 ? MG MG C 301 mPRO^B 80 77.54 1.78 6.54 78.10 2.59 6.41 78.31 -0.51 7.06 78.72 -1.60 6.76 77.85 0.46 6.01 79.01 0.74 5.04 3 0 23.93-999 ?-999 ?-999 ? MG MG C 301 mASP^B 81 78.25 -0.13 8.31 77.87 0.78 8.48 77.57 -1.38 10.27 77.75 -2.07 11.28 78.71 -1.04 9.31 79.93 -0.44 10.01 2 0 26.22-999 ?-999 ?-999 ? MG MG C 301 mGLY^B 82 76.38 -0.87 9.95 76.39 -0.26 9.15 74.82 -0.18 11.79 73.85 -0.43 12.52 75.19 -1.17 10.71-999.99-999.99-999.99 1 0 27.22-999 ?-999 ?-999 ? MG MG C 301 mSER^B 83 75.55 0.93 11.90 76.32 0.99 11.27 74.07 2.86 12.35 73.93 3.03 11.14 75.19 1.98 12.89 76.40 2.83 13.27 2 0 25.33-999 ?-999 ?-999 ? MG MG C 301 mVAL^B 84 73.25 3.40 13.24 73.39 3.11 14.19 72.51 5.68 13.50 73.26 5.78 14.46 72.25 4.33 12.83 70.81 3.77 13.02 3 0 24.10-999 ?-999 ?-999 ? MG MG C 301 mASN^B 85 71.93 6.74 12.94 71.39 6.54 12.13 70.94 8.94 13.11 70.64 9.08 11.92 72.08 8.08 13.49 73.33 8.76 12.96 2 0 21.63-999 ?-999 ?-999 ? MG MG C 301 mLYS^B 86 70.32 9.54 14.10 70.65 9.31 15.02 69.75 11.84 14.02 70.62 12.07 14.80 69.25 10.45 13.86 68.15 10.21 14.84 2 0 21.49-999 ?-999 ?-999 ? MG MG C 301 mARG^B 87 69.21 12.75 13.24 68.69 12.36 12.49 67.93 14.67 13.52 67.02 13.97 13.13 69.35 14.18 13.47 70.07 14.88 12.31 2 0 19.10-999 ?-999 ?-999 ? MG MG C 301 mTHR^B 88 67.74 15.90 13.94 68.58 16.44 14.04 66.27 17.92 13.86 67.18 18.72 14.08 66.42 16.42 14.22 66.11 16.08 15.69 2 0 20.44-999 ?-999 ?-999 ? MG MG C 301 mGLY^B 89 65.14 18.29 13.29 64.49 17.55 13.11 63.42 19.98 12.97 62.61 19.05 12.96 64.90 19.68 12.95-999.99-999.99-999.99 1 0 19.24-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 90 63.05 21.26 12.98 63.79 21.93 13.07 61.50 22.73 11.91 62.09 23.76 12.08 61.66 21.61 12.88 61.06 21.99 14.22 2 0 17.70-999 ?-999 ?-999 ? MG MG B 302 mALA^B 91 60.68 22.51 10.90 60.26 21.60 10.94 59.77 24.73 10.36 58.91 24.70 11.24 60.40 23.47 9.84 59.47 22.84 8.80 2 0 14.44-999 ?-999 ?-999 ? MG MG B 302 mSER^B 92 60.18 25.86 9.78 60.91 25.76 9.10 58.08 27.10 9.76 57.67 26.34 8.86 59.57 27.12 10.15 60.34 28.25 9.50 2 0 15.22-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 93 57.26 27.88 10.45 57.69 28.41 11.18 55.44 29.29 9.57 54.26 29.64 9.52 55.83 27.92 10.11 54.93 27.59 11.32 2 0 15.01-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 94 56.45 30.06 9.18 57.34 29.62 9.19 55.29 31.53 7.58 54.54 32.49 7.45 56.24 31.44 8.77 57.58 32.09 8.43 2 0 15.53-999 ?-999 ?-999 ? MG MG B 302 mASN^B 95 55.32 30.50 6.74 55.88 29.74 7.07 53.36 29.62 5.49 52.92 29.15 4.46 54.61 30.48 5.46 55.48 29.92 4.32 2 0 12.40-999 ?-999 ?-999 ? MG MG B 302 mILE^B 96 52.81 29.40 6.67 53.33 29.74 7.45 50.59 29.76 7.31 50.56 30.09 8.50 51.54 28.72 6.78 51.61 27.54 7.74 3 0 13.12-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 97 49.81 30.31 6.41 49.72 29.82 5.55 47.68 31.53 6.30 47.23 30.71 5.49 49.14 31.55 6.72 49.91 32.75 6.11 3 0 15.54-999 ?-999 ?-999 ? MG MG B 302 mCYH^B 98 46.96 32.45 6.93 47.45 32.94 7.64 45.51 34.19 6.17 45.95 35.10 6.86 45.60 32.73 6.62 44.74 32.49 7.84 2 0 17.96-999 ?-999 ?-999 ? MG MG B 302 mTHR^B 99 44.92 34.42 5.01 44.29 33.72 4.68 44.01 36.08 3.48 43.11 35.28 3.26 45.21 35.64 4.32 46.54 35.43 3.53 2 0 18.89-999 ?-999 ?-999 ? MG MG B 302 mASP^B 100 43.98 37.35 3.09 44.76 37.89 3.40 41.51 37.65 2.83 40.60 37.25 2.10 42.89 37.90 2.28 42.99 37.37 0.88 2 0 21.16-999 ?-999 ?-999 ? MG MG B 302 mILE^B 101 41.38 37.89 4.14 42.24 38.12 4.59 39.21 38.96 4.38 39.55 40.14 4.50 40.13 37.82 4.84 40.35 37.83 6.34 3 0 23.72-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 102 38.07 38.58 3.83 37.95 37.59 3.76 35.67 39.15 3.78 35.16 38.10 3.37 37.09 39.54 3.35 37.19 39.75 1.82 3 0 26.47-999 ?-999 ?-999 ? MG MG B 302 mTRP^B 103 35.06 40.01 4.61 35.64 40.79 4.86 32.64 40.36 4.09 32.70 41.50 3.65 33.70 39.85 5.11 33.57 40.58 6.44 3 0 29.64-999 ?-999 ?-999 ? MG MG B 302 mASN^B 104 31.69 39.50 3.71 31.82 38.57 4.04 29.37 40.00 3.84 29.49 39.59 4.99 30.56 39.91 2.89 30.21 38.92 1.75 2 0 31.55-999 ?-999 ?-999 ? MG MG B 302 mSER^B 105 28.24 40.53 3.37 28.31 40.89 2.44 26.62 39.15 4.68 26.14 38.99 5.83 27.02 40.56 4.17 25.88 41.18 3.37 2 0 35.07-999 ?-999 ?-999 ? MG MG B 302 mGLY^B 106 26.88 38.15 3.83 27.44 38.41 3.05 27.37 35.84 4.67 26.99 34.75 5.10 26.39 36.79 4.03-999.99-999.99-999.99 1 0 33.78-999 ?-999 ?-999 ? MG MG B 302 mGLY^B 107 28.63 36.25 4.73 28.81 37.16 4.36 31.03 36.01 5.27 31.18 37.20 5.55 29.66 35.38 5.31-999.99-999.99-999.99 1 0 30.70-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 108 32.03 35.20 4.92 31.75 34.26 4.70 34.25 34.79 3.97 34.09 33.58 3.96 33.40 35.67 4.87 34.03 35.72 6.27 3 0 27.55-999 ?-999 ?-999 ? MG MG B 302 mGLN^B 109 35.15 35.41 3.21 35.09 36.41 3.25 37.50 34.82 3.01 37.76 35.77 3.75 36.12 34.67 2.41 36.15 35.21 0.98 2 0 24.13-999 ?-999 ?-999 ? MG MG B 302 mPHE^B 110 38.38 33.89 2.67 38.00 33.15 2.12 40.61 32.88 2.39 40.07 31.99 1.75 39.78 33.97 3.07 39.91 33.88 4.60 3 0 21.03-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 111 41.93 32.97 2.54 42.22 33.66 3.21 43.85 31.48 2.74 44.78 32.14 3.23 42.84 32.14 1.80 43.55 32.96 0.73 2 0 17.26-999 ?-999 ?-999 ? MG MG B 302 mMETB 112 43.65 30.18 2.98 42.78 29.83 2.66 45.68 28.89 2.65 45.35 28.13 1.73 44.66 29.37 3.65 44.02 28.16 4.32 2 0 15.22-999 ?-999 ?-999 ? MG MG B 302 mSER^B 113 46.93 29.32 2.82 47.03 30.05 3.50 49.13 28.19 2.99 49.37 28.74 4.07 48.02 28.73 2.06 48.55 29.75 1.07 2 0 11.72-999 ?-999 ?-999 ? MG MG B 302 mALA^B 114 49.74 27.07 2.60 49.44 26.74 1.70 51.94 26.09 2.56 51.80 25.65 1.42 50.76 26.40 3.41 50.25 25.15 3.98 2 0 9.77-999 ?-999 ?-999 ? MG MG B 302 mSER^B 115 53.11 26.34 3.11 53.06 26.82 3.99 55.42 25.58 3.52 55.83 26.42 4.30 54.36 25.96 2.48 54.86 27.12 1.61 2 0 7.43-999 ?-999 ?-999 ? MG MG B 302 mALA^B 116 55.87 24.34 3.51 55.44 23.75 2.83 58.09 23.24 3.73 57.90 22.47 2.79 56.90 23.91 4.45 56.31 22.97 5.47 2 0 8.49-999 ?-999 ?-999 ? MG MG B 302 mSER^B 117 59.30 23.55 4.18 59.31 24.28 4.87 60.92 21.74 4.60 60.43 21.60 5.72 60.50 22.87 3.68 61.67 23.85 3.59 2 0 8.83-999 ?-999 ?-999 ? MG MG B 302 mASN^B 118 61.86 20.92 4.14 61.97 20.94 3.14 63.79 20.91 5.63 64.61 21.47 4.90 62.65 20.09 5.03 63.19 18.87 4.27 2 0 11.38-999 ?-999 ?-999 ? MG MG B 302 mPRO^B 119 63.85 20.98 6.96 63.16 20.43 7.44 66.25 21.19 7.51 67.23 21.80 7.93 64.86 21.80 7.63 64.41 21.79 9.09 3 0 14.56-999 ?-999 ?-999 ? MG MG B 302 mLEU^B 120 66.33 20.00 6.94 65.47 19.67 6.56 68.17 19.22 5.46 69.30 18.76 5.26 67.59 19.25 6.88 67.42 17.84 7.44 3 0 14.54-999 ?-999 ?-999 ? MG MG C 301 mASN^B 121 67.41 19.68 4.46 66.44 19.75 4.68 67.35 21.33 2.61 66.25 21.30 2.06 67.98 20.04 3.15 67.88 18.90 2.12 2 0 12.68-999 ?-999 ?-999 ? MG MG C 302 mVAL^B 122 68.06 22.44 2.78 68.93 22.30 3.26 67.14 23.74 0.82 66.28 24.55 0.41 67.59 23.75 2.30 68.65 24.87 2.53 3 0 11.43-999 ?-999 ?-999 ? MG MG C 302 mTYR^B 123 67.72 22.82 0.04 68.31 22.17 0.50 66.40 21.81 -1.80 66.02 21.74 -2.99 67.47 22.82 -1.40 68.76 22.59 -2.18 3 0 10.65-999 ?-999 ?-999 ? MG MG C 302 mALA^B 124 65.93 21.02 -0.81 66.46 21.05 0.04 63.46 21.06 -1.12 63.33 22.10 -0.44 64.73 20.19 -1.01 64.58 19.15 0.11 2 0 9.51-999 ?-999 ?-999 ? MG MG B 302 mPRO^B 125 62.53 20.65 -1.99 62.73 19.75 -2.36 60.26 21.39 -1.29 59.99 20.32 -0.72 61.34 21.42 -2.36 60.83 20.70 -3.61 3 0 5.70-999 ?-999 ?-999 ? MG MG B 302 mPRO^B 126 59.65 22.54 -1.03 60.01 23.33 -1.54 57.33 21.85 -0.54 57.14 21.65 -1.74 58.56 22.63 -0.08 58.26 24.13 -0.03 3 0 -4.61-999 ?-999 ?-999 ? MG MG B 302s mVAL^B 127 56.51 21.42 0.41 56.89 21.48 1.34 54.19 22.06 0.19 54.27 22.88 1.11 55.18 20.90 0.10 54.77 19.78 1.04 3 0 4.29-999 ?-999 ?-999 ? MG MG B 302 mASP^B 128 53.28 22.13 -0.78 53.20 21.32 -1.36 50.98 23.00 -1.06 50.61 22.01 -1.69 52.47 23.33 -0.95 52.92 24.09 -2.19 2 0 -4.61-999 ?-999 ?-999 ? MG MG B 302s mTYR^B 129 50.13 23.83 -0.45 50.55 24.44 0.22 48.06 25.15 -0.45 48.32 25.73 0.60 48.70 23.81 -0.75 47.98 22.72 0.03 3 0 7.98-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 130 47.21 25.63 -1.35 47.15 25.12 -2.21 44.96 26.56 -1.19 44.51 26.08 -2.24 46.44 26.83 -1.04 46.84 28.03 -1.92 3 0 10.84-999 ?-999 ?-999 ? MG MG B 302 mLEU^B 131 44.21 26.86 -0.14 44.73 27.12 0.68 42.12 28.17 -0.25 42.31 29.01 0.64 42.76 26.79 -0.20 42.21 26.02 0.98 3 0 14.34-999 ?-999 ?-999 ? MG MG B 302 mASN^B 132 41.33 28.39 -1.29 41.43 27.73 -2.04 39.05 29.08 -0.77 38.35 28.26 -1.37 40.40 29.50 -1.33 40.27 30.00 -2.76 2 0 17.25-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 133 38.69 29.61 0.39 39.28 30.35 0.72 36.51 30.23 1.38 36.90 31.35 1.70 37.50 29.12 1.07 37.87 28.37 2.37 3 0 20.22-999 ?-999 ?-999 ? MG MG B 302 mCYH^B 134 35.24 29.91 1.26 35.05 28.96 1.03 33.12 30.33 2.36 32.41 29.40 1.99 34.20 30.90 1.45 33.63 31.30 0.10 2 0 23.92-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 135 33.01 30.89 3.56 33.58 31.70 3.69 30.90 31.24 4.74 31.00 32.47 4.91 32.13 30.36 4.58 32.88 30.29 5.93 3 0 26.47-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 136 29.73 30.62 4.71 29.80 29.63 4.63 27.85 31.28 6.18 28.03 30.28 6.88 28.47 31.35 4.78 27.49 30.81 3.74 2 0 30.14-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 137 27.12 32.32 6.56 26.99 33.00 5.84 25.72 31.28 8.46 25.58 31.09 9.67 26.56 32.46 7.93 25.81 33.80 8.05 2 0 33.20-999 ?-999 ?-999 ? MG MG B 302 mASP^B 138 25.20 30.47 7.55 25.37 30.77 6.62 25.31 27.95 8.00 24.77 26.86 8.13 24.45 29.24 7.88 23.42 29.01 6.78 2 0 34.27-999 ?-999 ?-999 ? MG MG B 302 mGLY^B 139 26.63 28.06 7.93 26.99 28.98 7.78 27.91 26.31 6.72 28.83 25.52 6.68 27.46 26.88 8.05-999.99-999.99-999.99 1 0 31.17-999 ?-999 ?-999 ? MG MG B 302 mSER^B 140 27.23 26.68 5.64 26.41 27.21 5.85 29.13 26.72 3.97 29.54 27.84 4.26 27.68 26.34 4.28 26.80 27.03 3.26 2 0 29.65-999 ?-999 ?-999 ? MG MG B 302 mILE^B 141 29.90 25.81 3.41 29.51 24.89 3.33 31.42 25.84 1.50 30.78 24.95 0.94 31.23 26.18 2.96 32.37 25.62 3.83 3 0 25.89-999 ?-999 ?-999 ? MG MG B 302 mASP^B 142 32.32 26.57 0.87 32.81 27.23 1.44 34.03 26.65 -0.75 34.52 27.73 -0.44 32.55 26.40 -0.54 31.69 27.40 -1.31 2 0 23.89-999 ?-999 ?-999 ? MG MG B 301 mVAL^B 143 34.72 25.64 -1.27 34.15 24.96 -1.74 36.84 25.19 -2.50 36.40 24.28 -3.20 36.18 25.53 -1.17 36.54 24.43 -0.16 3 0 20.15-999 ?-999 ?-999 ? MG MG B 301 mGLN^B 144 37.91 25.91 -2.84 38.11 26.68 -2.23 40.15 25.49 -3.67 40.76 26.50 -3.28 38.70 25.57 -4.01 38.50 26.57 -5.12 2 0 17.14-999 ?-999 ?-999 ? MG MG B 301 mGLY^B 145 40.69 24.28 -3.81 40.08 23.60 -4.23 42.97 23.52 -4.50 42.55 23.07 -5.57 42.04 23.97 -3.40-999.99-999.99-999.99 1 0 13.71-999 ?-999 ?-999 ? MG MG B 301 mGLU^B 146 44.25 23.66 -4.19 44.41 24.19 -3.36 46.37 22.54 -4.05 46.51 23.07 -2.95 45.32 23.08 -4.98 45.94 24.16 -5.83 2 0 10.03-999 ?-999 ?-999 ? MG MG B 301 mHIS^B 147 47.10 21.52 -4.47 46.85 21.17 -5.38 49.16 20.16 -4.44 48.82 19.64 -5.48 48.18 20.97 -3.65 47.61 20.07 -2.55 3 0 7.37-999 ?-999 ?-999 ? MG MG B 301 mASP^B 148 50.38 20.02 -3.91 50.54 20.59 -3.10 50.79 17.71 -4.39 49.91 17.45 -3.57 51.38 19.12 -4.48 52.73 19.23 -3.77 2 0 4.19-999 ?-999 ?-999 ? MG MG B 301s mGLY^B 149 51.25 16.83 -5.27 51.98 17.16 -5.87 51.23 14.51 -4.28 50.89 13.34 -4.33 50.72 15.48 -5.33-999.99-999.99-999.99 1 0 5.93-999 ?-999 ?-999 ? MG MG B 301 mPHE^B 150 52.04 14.99 -3.35 52.22 15.97 -3.42 52.91 15.02 -1.09 53.20 16.21 -1.26 52.62 14.14 -2.31 53.90 13.57 -2.84 3 0 7.64-999 ?-999 ?-999 ? MG MG B 301 mPRO^B 151 52.78 14.49 0.16 53.05 15.19 0.82 50.84 13.06 0.66 50.27 13.15 -0.40 52.37 13.19 0.68 52.93 13.22 2.11 3 0 10.46-999 ?-999 ?-999 ? MG MG B 301 mCYH^B 152 50.20 12.83 1.81 50.81 12.67 2.59 48.15 14.11 2.47 48.76 14.76 3.33 48.74 12.82 1.93 48.34 11.75 2.89 2 0 12.81-999 ?-999 ?-999 ? MG MG B 301 mPHE^B 153 46.96 14.47 1.99 46.58 13.82 1.32 44.87 15.45 2.83 44.15 14.66 2.18 46.28 15.71 2.40 46.22 16.67 1.26 3 0 13.27-999 ?-999 ?-999 ? MG MG B 301 mGLU^B 154 44.46 16.09 3.92 45.14 16.70 4.33 42.56 17.23 4.90 43.25 18.00 5.56 43.11 15.89 4.45 43.07 14.83 5.57 2 0 16.59-999 ?-999 ?-999 ? MG MG B 302 mPHE^B 155 41.32 17.51 4.54 40.88 16.80 3.98 39.29 18.44 5.53 38.56 17.58 5.02 40.66 18.74 4.93 40.53 19.60 3.70 3 0 17.98-999 ?-999 ?-999 ? MG MG B 302 mTYR^B 156 38.95 19.11 6.64 39.63 19.77 6.95 37.01 20.16 7.81 37.70 21.10 8.27 37.67 18.88 7.32 37.86 18.00 8.52 3 0 21.69-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 157 35.68 20.22 7.74 35.23 19.51 7.20 34.33 20.71 9.68 34.00 19.53 9.72 34.97 21.28 8.44 33.96 22.00 7.54 2 0 24.31-999 ?-999 ?-999 ? MG MG B 302 mGLN^B 158 34.19 21.55 10.70 34.60 22.44 10.52 32.75 22.44 12.44 33.38 23.50 12.65 33.48 21.21 11.96 34.46 20.78 13.04 2 0 27.47-999 ?-999 ?-999 ? MG MG B 302 mVAL^B 159 31.45 22.33 12.66 31.08 21.40 12.54 29.97 23.42 14.41 29.26 22.47 14.73 30.65 23.49 13.04 29.70 23.95 11.87 3 0 30.41-999 ?-999 ?-999 ? MG MG B 302 mASP^B 160 30.20 24.45 15.22 30.86 25.10 14.86 29.82 23.41 17.41 28.92 22.91 18.11 29.54 24.61 16.52 28.01 24.83 16.38 2 0 30.35-999 ?-999 ?-999 ? MG MG A 301 mPHE^B 161 31.07 22.94 17.36 31.65 23.43 16.71 30.88 20.48 17.86 31.03 19.49 18.59 31.56 21.82 18.17 31.45 22.16 19.65 3 0 28.81-999 ?-999 ?-999 ? MG MG A 301 mGLY^B 162 30.16 20.44 16.74 30.06 21.33 16.29 30.59 18.22 15.75 31.79 18.38 16.00 29.56 19.21 16.24-999.99-999.99-999.99 1 0 32.25-999 ?-999 ?-999 ? MG MG A 301 mPRO^B 163 30.14 17.16 15.05 29.15 17.11 14.96 31.93 16.77 13.36 31.68 17.90 12.93 31.08 16.17 14.49 30.16 15.07 13.94 3 0 31.50-999 ?-999 ?-999 ? MG MG B 302 mPHE^B 164 32.94 16.04 12.93 33.08 15.18 13.43 33.20 15.90 10.53 32.69 14.79 10.47 33.78 16.45 11.83 35.18 15.86 12.02 3 0 27.77-999 ?-999 ?-999 ? MG MG B 302 mGLU^B 165 33.29 16.71 9.48 33.64 17.62 9.68 34.08 16.38 7.20 34.81 17.38 7.23 32.89 16.28 8.15 31.74 17.14 7.63 2 0 26.68-999 ?-999 ?-999 ? MG MG B 302 mLYS^B 166 34.27 15.36 6.36 33.66 14.58 6.52 34.99 16.48 4.26 33.88 16.58 3.72 35.27 15.38 5.31 35.29 14.02 4.62 2 0 23.34-999 ?-999 ?-999 ? MG MG B 301 mILE^B 167 36.00 17.29 3.98 36.79 17.21 4.60 36.62 17.64 1.60 36.03 17.62 0.52 35.95 18.22 2.85 36.58 19.56 3.20 3 0 21.15-999 ?-999 ?-999 ? MG MG B 301 mTYR^B 168 37.85 17.15 1.76 38.20 17.24 2.69 39.83 15.83 1.20 40.47 16.30 2.14 38.60 16.54 0.67 39.00 17.62 -0.33 3 0 18.01-999 ?-999 ?-999 ? MG MG B 301 mTHR^B 169 40.17 14.70 0.59 39.54 14.41 -0.12 42.22 13.61 -0.25 41.69 13.43 -1.35 41.38 13.97 0.97 41.06 12.69 1.77 2 0 16.47-999 ?-999 ?-999 ? MG MG B 301 mHIS^B 170 43.53 13.52 -0.06 43.84 13.81 0.84 45.35 11.97 -0.57 45.99 12.15 0.47 44.41 13.04 -1.11 45.19 14.19 -1.74 3 0 13.51-999 ?-999 ?-999 ? MG MG B 301 mASP^B 171 45.42 10.85 -1.27 44.87 10.85 -2.11 47.16 9.45 -1.99 46.76 8.93 -3.01 46.21 9.72 -0.86 45.30 8.50 -0.71 2 0 14.41-999 ?-999 ?-999 ? MG MG B 301 mPHE^B 172 48.43 9.78 -1.82 48.68 10.08 -0.89 49.49 8.24 -3.43 49.65 8.01 -4.63 49.35 9.68 -2.94 50.71 10.33 -2.62 3 0 12.01-999 ?-999 ?-999 ? MG MG B 301 mARG^B 173 49.42 7.27 -2.53 49.26 7.54 -1.58 48.39 5.40 -3.83 48.61 4.54 -4.66 49.56 5.91 -3.00 49.96 4.93 -1.89 2 0 15.20-999 ?-999 ?-999 ? MG MG B 301 mGLU^B 174 47.17 5.92 -3.62 47.15 6.60 -2.89 46.10 6.05 -5.80 45.48 5.55 -6.73 45.99 5.52 -4.41 44.68 6.04 -3.80 2 0 16.72-999 ?-999 ?-999 ? MG MG B 301 mTHR^B 175 46.92 7.07 -5.93 47.55 7.17 -5.17 48.19 7.81 -7.88 48.29 8.28 -9.00 46.88 7.94 -7.07 46.49 9.38 -6.61 2 0 13.95-999 ?-999 ?-999 ? MG MG B 301 mGLY^B 176 49.16 7.11 -7.30 48.93 6.82 -6.38 51.41 7.97 -8.13 51.77 8.29 -9.26 50.45 6.82 -7.94-999.99-999.99-999.99 1 0 13.46-999 ?-999 ?-999 ? MG MG B 301 mASP^B 177 51.83 8.60 -7.04 51.51 8.20 -6.18 53.94 9.56 -6.27 54.00 8.64 -5.45 52.70 9.77 -7.11 51.97 11.04 -6.64 2 0 10.04-999 ?-999 ?-999 ? MG MG B 301 mTHR^B 178 54.92 10.44 -6.45 54.67 11.21 -7.03 56.66 11.52 -5.08 56.03 12.58 -5.20 56.23 10.27 -5.85 57.26 9.91 -6.94 2 0 9.65-999 ?-999 ?-999 ? MG MG B 301 mALA^B 179 57.72 11.41 -4.29 58.09 10.48 -4.23 58.81 13.62 -4.56 59.27 14.69 -4.16 58.26 12.57 -3.59 59.34 12.14 -2.62 2 0 8.85-999 ?-999 ?-999 ? MG MG B 301 mALA^B 180 58.75 13.31 -5.85 58.47 12.36 -6.04 57.92 15.25 -7.04 58.13 16.39 -7.44 59.08 14.28 -6.88 59.39 13.60 -8.19 2 0 7.10-999 ?-999 ?-999 ? MG MG B 301 mALA^B 181 56.72 14.81 -6.71 56.70 13.86 -6.39 55.61 16.82 -5.83 54.74 17.69 -5.82 55.54 15.65 -6.80 54.26 14.84 -6.58 2 0 -4.17-999 ?-999 ?-999 ? MG MG B 301s mLEU^B 182 56.66 16.84 -5.00 57.21 16.01 -5.01 57.39 19.28 -4.93 56.99 20.38 -4.59 56.95 18.02 -4.16 57.99 17.68 -3.09 3 0 -4.31-999 ?-999 ?-999 ? MG MG B 301s mGLY^B 183 58.22 19.12 -5.95 58.46 18.17 -6.14 57.77 20.61 -7.82 56.65 20.08 -7.90 58.74 20.22 -6.73-999.99-999.99-999.99 1 0 -4.35-999 ?-999 ?-999 ? MG MG B 301s mGLY^B 184 58.19 21.54 -8.68 59.12 21.87 -8.53 56.14 22.76 -9.17 56.27 23.43 -8.15 57.32 22.02 -9.75-999.99-999.99-999.99 1 0 4.47-999 ?-999 ?-999 ? MG MG B 301 mASN^B 185 54.99 22.63 -9.81 55.04 22.00 -10.59 52.93 22.46 -8.57 53.24 21.30 -8.38 53.77 23.33 -9.41 52.96 23.67 -10.63 2 0 -4.31-999 ?-999 ?-999 ? MG MG B 301s mMETB 186 51.84 23.01 -8.06 51.77 24.00 -8.17 50.08 21.48 -8.50 49.55 22.08 -9.41 50.87 22.18 -7.41 50.01 23.01 -6.47 2 0 4.39-999 ?-999 ?-999 ? MG MG B 301 mASP^B 187 50.03 20.17 -8.40 50.30 19.82 -7.50 48.16 18.87 -9.41 47.63 18.35 -10.35 49.63 19.32 -9.51 50.64 18.14 -9.69 2 0 -5.33-999 ?-999 ?-999 ? MG MG B 301s mTYR^B 188 47.51 19.10 -8.28 48.06 19.53 -7.57 45.27 19.94 -7.73 45.71 20.76 -6.92 46.10 18.75 -8.14 45.90 17.68 -7.08 3 0 8.45-999 ?-999 ?-999 ? MG MG B 301 mSER^B 189 44.06 20.01 -8.26 43.88 19.39 -9.02 41.82 20.24 -7.44 41.58 19.16 -7.96 43.10 20.95 -7.74 42.88 22.09 -8.72 2 0 11.44-999 ?-999 ?-999 ? MG MG B 301 mPHE^B 190 41.00 20.84 -6.59 41.40 21.64 -6.14 38.70 21.51 -5.93 39.10 22.63 -5.56 39.65 20.37 -6.33 39.68 19.36 -5.21 3 0 14.85-999 ?-999 ?-999 ? MG MG B 301 mTHR^B 191 37.42 21.19 -5.95 37.25 20.23 -6.20 35.35 21.30 -4.82 35.12 20.11 -5.10 36.37 22.10 -5.64 35.83 22.70 -6.98 2 0 18.32-999 ?-999 ?-999 ? MG MG B 301 mLYS^B 192 34.79 21.89 -3.77 35.07 22.84 -3.62 32.92 22.14 -2.27 33.32 23.24 -1.90 33.83 21.17 -2.93 34.54 20.34 -1.87 2 0 21.13-999 ?-999 ?-999 ? MG MG B 301 mARG^B 193 31.67 21.72 -2.11 31.49 20.82 -2.50 30.02 21.60 -0.43 29.50 20.57 -0.80 30.66 22.51 -1.43 29.59 22.98 -2.41 2 0 24.67-999 ?-999 ?-999 ? MG MG B 301 mLEU^B 194 30.10 21.98 0.85 30.72 22.75 1.00 28.20 22.23 2.43 28.44 23.13 3.25 29.32 21.33 1.92 30.23 20.99 3.10 3 0 26.82-999 ?-999 ?-999 ? MG MG B 301 mMETC 1 106.84 45.78 -21.80 107.67 45.73 -22.36 104.75 44.59 -21.13 104.76 43.96 -22.19 105.61 45.84 -20.97 104.78 47.09 -21.32 2 0 35.44-999 ?-999 ?-999 ? MG MG D 302 mTHR^C 2 104.01 44.23 -20.07 104.18 44.77 -19.25 101.72 43.59 -20.78 101.16 44.61 -20.40 103.03 43.13 -20.15 102.73 42.55 -18.77 2 0 34.12-999 ?-999 ?-999 ? MG MG D 302 mASN^C 3 101.22 42.82 -21.73 101.72 41.96 -21.88 98.80 42.51 -21.95 97.82 43.16 -21.59 100.05 43.20 -22.49 100.26 42.79 -23.94 2 0 30.57-999 ?-999 ?-999 ? MG MG D 302 mILE^C 4 98.85 41.18 -21.91 99.76 40.80 -22.05 97.93 39.37 -20.55 98.93 38.64 -20.55 97.68 40.35 -21.68 97.33 39.55 -22.94 3 0 29.81-999 ?-999 ?-999 ? MG MG D 302 mILE^C 5 97.03 39.35 -19.57 96.33 40.07 -19.63 95.70 37.72 -18.38 94.73 38.39 -18.09 97.06 38.35 -18.51 97.43 38.97 -17.17 3 0 28.01-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 6 95.65 36.41 -18.61 96.53 35.98 -18.83 94.45 34.82 -17.29 95.47 34.15 -17.02 94.42 35.68 -18.56 94.30 34.79 -19.79 2 0 25.09-999 ?-999 ?-999 ? MG MG C 302 mILE^C 7 93.36 34.86 -16.52 92.73 35.60 -16.75 92.00 32.93 -15.84 90.90 33.37 -16.24 93.11 33.90 -15.43 92.64 34.60 -14.15 3 0 21.59-999 ?-999 ?-999 ? MG MG C 302 mARG^C 8 92.27 31.63 -15.74 93.19 31.43 -15.41 90.87 29.83 -14.86 91.71 29.44 -14.06 91.31 30.62 -16.09 91.90 29.67 -17.12 2 0 19.69-999 ?-999 ?-999 ? MG MG C 302 mALA^C 9 89.57 29.58 -14.69 88.99 29.97 -15.40 88.26 27.69 -14.18 87.52 27.90 -15.16 89.05 28.81 -13.58 88.16 29.64 -12.74 2 0 16.00-999 ?-999 ?-999 ? MG MG C 302 mSER^C 10 88.39 26.50 -13.62 89.02 26.45 -12.85 87.21 24.47 -13.02 87.99 24.15 -12.12 87.65 25.37 -14.15 88.49 24.61 -15.17 2 0 15.14-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 11 85.95 24.05 -13.09 85.43 24.42 -13.85 84.93 21.85 -12.81 84.07 21.92 -13.69 85.40 23.13 -12.11 84.20 23.73 -11.43 3 0 12.40-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 12 85.44 20.69 -12.41 86.06 20.73 -11.62 84.94 18.21 -12.27 85.50 18.14 -11.18 85.06 19.49 -13.14 86.04 19.27 -14.31 3 0 14.17-999 ?-999 ?-999 ? MG MG C 302 mILE^C 13 84.19 17.22 -12.77 83.66 17.47 -13.58 85.06 15.00 -13.02 84.78 14.82 -14.20 84.18 15.89 -12.16 82.77 15.28 -12.13 3 0 15.06-999 ?-999 ?-999 ? MG MG C 302 mPRO^C 14 86.12 14.41 -12.41 86.17 14.50 -11.42 86.63 12.34 -13.69 87.17 11.84 -14.67 87.11 13.69 -13.21 88.29 13.51 -12.25 3 0 18.51-999 ?-999 ?-999 ? MG MG C 302 mMETC 15 85.62 11.75 -13.03 85.26 12.30 -12.28 84.24 10.46 -14.64 83.93 11.53 -15.11 85.12 10.40 -13.40 84.35 9.78 -12.23 2 0 20.07-999 ?-999 ?-999 ? MG MG C 302 mSER^C 16 83.82 9.31 -15.17 84.20 8.49 -14.75 81.45 9.47 -15.82 80.57 9.84 -16.60 82.88 9.31 -16.30 82.98 8.01 -17.08 2 0 21.88-999 ?-999 ?-999 ? MG MG C 302 mTRP^C 17 81.21 9.18 -14.54 82.04 8.99 -14.02 79.96 9.46 -12.50 80.89 9.02 -11.83 79.87 9.14 -13.97 79.26 7.75 -14.12 3 0 20.10-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 18 79.00 10.20 -11.97 78.31 10.56 -12.60 78.59 9.10 -9.89 78.31 8.14 -10.59 79.00 10.43 -10.53 78.09 11.60 -10.12 2 0 17.18-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 19 78.57 9.03 -8.58 78.75 9.88 -8.07 76.80 7.49 -7.95 76.02 8.42 -7.84 78.29 7.75 -7.99 78.96 7.64 -6.64 2 0 18.33-999 ?-999 ?-999 ? MG MG C 301 mALA^C 20 76.42 6.22 -8.08 77.15 5.55 -8.01 74.23 6.20 -7.05 74.68 5.97 -5.95 75.03 5.90 -8.29 74.89 4.47 -8.69 2 0 20.64-999 ?-999 ?-999 ? MG MG C 301 mLYS^C 21 73.05 6.78 -7.23 72.89 7.12 -8.15 70.91 6.02 -6.54 70.49 6.04 -7.69 72.10 6.87 -6.14 71.62 8.31 -5.90 2 0 19.89-999 ?-999 ?-999 ? MG MG C 301 mMETC 22 70.37 5.28 -5.59 70.84 5.33 -4.71 68.09 4.95 -4.92 68.33 5.25 -3.78 69.20 4.46 -5.84 69.53 2.96 -5.61 2 0 21.22-999 ?-999 ?-999 ? MG MG B 301 mASP^C 23 66.87 5.06 -5.42 66.77 4.82 -6.38 64.72 4.43 -4.48 64.10 4.09 -5.46 65.78 5.50 -4.57 65.24 6.82 -5.11 2 0 18.33-999 ?-999 ?-999 ? MG MG B 301 mMETC 24 64.50 3.90 -3.31 64.98 4.32 -2.54 62.15 3.07 -3.53 61.42 2.14 -3.83 63.60 2.78 -3.18 63.75 2.12 -1.80 2 0 19.62-999 ?-999 ?-999 ? MG MG B 301 mGLU^C 25 61.74 4.34 -3.50 62.46 5.01 -3.35 59.89 4.38 -5.08 58.74 4.01 -5.36 60.31 4.67 -3.68 60.03 6.16 -3.46 2 0 16.48-999 ?-999 ?-999 ? MG MG B 301 mTHR^C 26 60.87 4.54 -5.95 61.77 4.54 -5.51 61.38 3.53 -8.15 60.95 3.21 -9.25 60.72 4.69 -7.37 61.29 6.08 -7.81 2 0 16.22-999 ?-999 ?-999 ? MG MG B 301 mGLY^C 27 62.42 2.92 -7.58 62.65 3.30 -6.68 64.34 2.20 -9.04 65.13 1.35 -9.44 63.15 1.80 -8.18-999.99-999.99-999.99 1 0 19.87-999 ?-999 ?-999 ? MG MG B 301 mGLN^C 28 64.49 3.49 -9.33 63.86 4.12 -8.88 66.92 3.95 -9.65 67.08 4.13 -8.45 65.54 3.90 -10.25 65.25 5.26 -10.79 2 0 19.49-999 ?-999 ?-999 ? MG MG B 301 mVAL^C 29 67.92 3.81 -10.49 67.65 3.59 -11.43 69.74 5.10 -10.98 69.50 5.02 -12.19 69.29 3.97 -10.09 70.10 2.67 -10.38 3 0 21.77-999 ?-999 ?-999 ? MG MG B 301 mILE^C 30 70.35 6.14 -10.42 70.54 6.01 -9.45 72.21 7.74 -11.10 72.82 7.68 -10.04 70.71 7.35 -11.17 69.89 8.56 -10.66 3 0 20.76-999 ?-999 ?-999 ? MG MG B 301 mGLN^C 31 72.77 8.16 -12.23 72.17 8.08 -13.03 74.14 9.89 -13.19 73.43 9.90 -14.19 74.14 8.70 -12.29 75.11 7.68 -12.86 2 0 19.79-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 32 74.96 10.89 -12.84 75.38 10.77 -11.94 76.51 11.92 -14.42 77.49 11.50 -13.82 75.19 12.06 -13.71 75.20 13.33 -12.89 3 0 17.64-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 33 76.53 12.29 -15.69 75.65 12.59 -16.04 78.86 13.15 -15.96 78.63 14.32 -15.72 77.76 12.24 -16.49 77.49 12.54 -17.97 2 0 19.20-999 ?-999 ?-999 ? MG MG C 302 mGLY^C 34 80.05 12.57 -15.80 80.06 11.60 -16.02 81.92 14.01 -16.49 81.34 14.14 -17.57 81.22 13.31 -15.34-999.99-999.99-999.99 1 0 18.00-999 ?-999 ?-999 ? MG MG C 302 mASP^C 35 83.15 14.47 -16.27 83.51 14.25 -15.36 85.05 14.40 -17.81 85.70 14.78 -18.77 83.89 15.22 -17.27 84.40 16.53 -16.68 2 0 18.94-999 ?-999 ?-999 ? MG MG C 302 mSER^C 36 85.30 13.26 -17.17 84.93 13.21 -16.25 87.43 12.67 -18.27 87.81 12.43 -19.41 86.07 12.19 -17.80 85.28 11.63 -18.97 2 0 21.89-999 ?-999 ?-999 ? MG MG C 302 mARG^C 37 88.15 13.36 -17.39 87.68 13.52 -16.52 90.22 14.27 -16.43 89.62 14.38 -15.37 89.50 13.85 -17.69 89.47 15.01 -18.69 2 0 22.44-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 38 91.53 14.49 -16.56 91.90 14.33 -17.47 92.47 16.44 -15.41 91.91 17.15 -16.25 92.32 14.92 -15.43 93.69 14.25 -15.48 2 0 22.18-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 39 93.22 16.96 -14.45 93.50 16.31 -13.74 94.26 18.75 -15.78 95.23 18.10 -16.19 93.59 18.37 -14.47 94.51 18.70 -13.29 3 0 21.09-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 40 93.75 19.79 -16.44 92.88 20.12 -16.06 93.90 21.79 -17.88 92.74 22.10 -17.64 94.40 20.37 -17.61 94.18 19.52 -18.89 2 0 23.01-999 ?-999 ?-999 ? MG MG C 302 mPRO^C 41 94.81 22.65 -18.36 95.72 22.26 -18.47 93.82 24.17 -20.08 93.25 25.22 -20.41 94.47 24.04 -18.71 95.84 24.72 -18.73 3 0 23.23-999 ?-999 ?-999 ? MG MG C 302 mHIS^C 42 93.91 23.10 -20.87 94.22 22.26 -20.41 92.16 22.69 -22.57 91.91 22.11 -23.62 93.57 23.18 -22.28 94.56 22.37 -23.10 3 0 25.29-999 ?-999 ?-999 ? MG MG C 302 mALA^C 43 91.25 22.94 -21.65 91.54 23.60 -20.95 88.87 23.21 -22.30 87.74 22.77 -22.52 89.94 22.31 -21.67 89.53 21.88 -20.28 2 0 22.78-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 44 89.23 24.45 -22.60 90.22 24.61 -22.56 87.31 25.01 -24.10 87.76 24.42 -25.08 88.23 25.46 -22.96 88.89 26.78 -23.39 3 0 22.77-999 ?-999 ?-999 ? MG MG C 302 mASN^C 45 86.01 25.32 -23.97 85.78 25.73 -23.09 84.92 23.59 -25.36 84.30 23.19 -26.36 85.05 25.06 -25.05 85.43 25.82 -26.31 2 0 23.45-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 46 85.52 22.78 -24.51 85.94 23.24 -23.73 84.33 20.68 -24.08 84.11 19.49 -24.27 85.56 21.34 -24.69 86.82 20.79 -24.05 2 0 23.68-999 ?-999 ?-999 ? MG MG C 302 mMETC 47 83.53 21.46 -23.36 83.79 22.42 -23.37 82.80 19.83 -21.68 82.04 18.91 -21.43 82.38 20.92 -22.64 81.31 20.40 -23.59 2 0 20.94-999 ?-999 ?-999 ? MG MG C 302 mARG^C 48 84.01 19.94 -21.14 84.55 20.71 -21.50 84.74 19.72 -18.79 85.73 19.44 -18.10 84.49 19.01 -20.12 85.76 18.26 -20.58 2 0 19.79-999 ?-999 ?-999 ? MG MG C 302 mSER^C 49 83.83 20.62 -18.45 83.17 20.84 -19.17 82.39 21.51 -16.71 81.56 21.88 -17.53 83.83 21.24 -17.13 84.63 22.56 -17.13 2 0 16.23-999 ?-999 ?-999 ? MG MG C 302 mARG^C 50 82.08 21.31 -15.43 82.78 20.82 -14.91 80.73 23.28 -15.02 79.70 23.81 -15.44 80.83 21.77 -14.88 80.74 21.37 -13.40 2 0 13.09-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 51 81.82 23.99 -14.69 82.57 23.43 -14.33 83.23 25.84 -15.40 84.25 25.24 -15.04 81.87 25.44 -14.84 81.70 26.12 -13.48 3 0 12.76-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 52 83.27 26.82 -16.30 82.39 27.10 -16.66 84.38 28.90 -16.80 83.33 29.41 -17.19 84.54 27.41 -16.68 85.10 26.80 -17.95 2 0 15.59-999 ?-999 ?-999 ? MG MG C 302 mGLN^C 53 85.40 29.63 -16.40 86.18 29.10 -16.06 86.79 31.57 -16.84 87.79 31.06 -16.31 85.37 31.07 -16.48 84.92 31.63 -15.15 2 0 16.60-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 54 86.89 32.54 -17.74 86.04 32.77 -18.21 88.02 34.71 -17.96 87.26 35.29 -18.72 88.17 33.19 -17.99 88.76 32.78 -19.34 2 0 19.94-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 55 88.77 35.34 -17.07 89.26 34.76 -16.42 90.16 37.12 -17.75 91.18 36.46 -17.53 88.86 36.78 -17.07 88.93 37.29 -15.68 3 0 21.26-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 56 90.13 38.13 -18.60 89.23 38.56 -18.72 91.52 40.03 -19.04 90.62 40.83 -19.28 91.33 38.54 -19.27 91.25 38.25 -20.75 3 0 24.96-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 57 92.68 40.40 -18.53 93.29 39.64 -18.29 94.07 42.19 -19.35 95.11 41.55 -19.52 93.03 41.79 -18.34 93.44 42.17 -16.87 3 0 27.15-999 ?-999 ?-999 ? MG MG C 302 mASP^C 58 93.75 43.27 -20.02 92.97 43.76 -19.63 95.00 45.12 -20.85 94.29 46.14 -20.91 94.44 43.72 -21.18 93.40 43.81 -22.27 2 0 29.28-999 ?-999 ?-999 ? MG MG D 302 mPHE^C 59 96.27 45.15 -20.50 96.77 44.29 -20.60 96.97 47.38 -21.12 96.91 48.58 -20.86 96.85 46.38 -20.02 98.20 46.14 -19.34 3 0 31.80-999 ?-999 ?-999 ? MG MG D 302 mTYR^C 60 97.10 46.88 -22.34 97.06 45.88 -22.40 96.02 48.55 -23.77 96.09 49.73 -24.02 97.29 47.73 -23.48 97.70 46.89 -24.67 3 0 29.39-999 ?-999 ?-999 ? MG MG D 302 mLYS^C 61 94.86 47.91 -23.73 94.94 46.95 -23.47 93.08 49.16 -22.77 92.20 50.03 -22.82 93.60 48.56 -24.05 92.57 47.53 -24.52 2 0 27.67-999 ?-999 ?-999 ? MG MG D 302 mGLN^C 62 93.64 48.71 -21.63 94.45 48.16 -21.82 91.70 48.56 -20.02 90.85 49.42 -19.80 93.14 48.98 -20.24 93.34 50.44 -19.81 2 0 31.03-999 ?-999 ?-999 ? MG MG D 302 mGLU^C 63 91.44 47.25 -20.12 92.27 46.70 -20.25 90.17 45.27 -19.48 91.13 44.52 -19.72 90.10 46.66 -20.07 89.55 46.40 -21.43 2 0 29.72-999 ?-999 ?-999 ? MG MG D 302 mVAL^C 64 89.12 44.91 -18.74 88.48 45.65 -18.51 87.84 42.89 -19.15 86.79 43.44 -19.31 88.94 43.55 -18.33 88.53 43.49 -16.87 3 0 26.21-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 65 88.07 41.69 -19.65 89.01 41.36 -19.51 86.82 39.63 -19.65 87.72 39.15 -18.98 87.03 40.94 -20.36 87.46 40.61 -21.76 3 0 25.06-999 ?-999 ?-999 ? MG MG C 302 mSER^C 66 85.66 39.03 -19.85 85.03 39.48 -20.47 84.45 36.86 -19.93 83.55 37.30 -20.64 85.39 37.79 -19.17 84.79 38.11 -17.82 2 0 21.76-999 ?-999 ?-999 ? MG MG C 302 mTYR^C 67 84.64 35.57 -19.73 85.31 35.36 -19.02 83.46 33.60 -19.44 84.19 33.24 -18.56 83.96 34.55 -20.47 84.95 33.85 -21.41 3 0 20.74-999 ?-999 ?-999 ? MG MG C 302 mALA^C 68 82.24 33.14 -19.56 81.73 33.46 -20.36 80.89 31.13 -19.19 80.10 31.37 -20.11 81.71 32.23 -18.56 80.89 32.99 -17.52 2 0 17.52-999 ?-999 ?-999 ? MG MG C 302 mASN^C 69 81.06 29.92 -18.70 81.75 29.82 -17.99 79.95 27.73 -18.25 80.62 27.60 -17.24 80.24 28.85 -19.23 80.86 28.32 -20.51 2 0 16.92-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 70 78.93 26.94 -18.55 78.40 27.22 -19.35 78.63 24.59 -18.68 78.33 24.70 -19.86 78.63 25.77 -17.76 77.22 25.87 -17.19 2 0 14.98-999 ?-999 ?-999 ? MG MG C 302 mGLY^C 71 78.91 23.42 -18.14 79.24 23.49 -17.20 77.29 21.73 -19.10 76.36 22.22 -18.44 78.74 22.16 -18.87-999.99-999.99-999.99 1 0 16.48-999 ?-999 ?-999 ? MG MG C 302 mILE^C 72 77.10 20.83 -20.06 77.93 20.66 -20.60 75.74 19.05 -19.28 76.65 18.20 -19.17 75.86 20.15 -20.34 75.90 19.56 -21.75 3 0 18.47-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 73 74.67 19.08 -18.48 74.06 19.85 -18.64 73.59 16.89 -18.00 72.47 17.13 -18.46 74.44 18.04 -17.45 73.68 18.60 -16.28 2 0 16.83-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 74 74.09 15.66 -17.93 74.99 15.60 -17.49 72.99 13.56 -17.36 73.87 13.06 -16.68 73.35 14.53 -18.47 74.13 13.82 -19.62 2 0 19.71-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 75 71.69 13.32 -17.18 71.10 13.85 -17.78 70.90 11.03 -16.83 70.23 10.98 -17.84 71.21 12.36 -16.18 69.95 12.89 -15.55 2 0 19.95-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 76 71.39 9.95 -16.23 71.94 10.13 -15.42 70.39 7.82 -15.72 70.94 7.52 -14.67 71.11 8.63 -16.76 72.40 7.94 -17.14 2 0 22.11-999 ?-999 ?-999 ? MG MG B 301 mVAL^C 77 69.15 7.50 -16.04 68.91 7.74 -16.98 67.97 5.43 -15.56 67.49 5.22 -16.68 68.24 6.87 -15.11 66.90 7.61 -15.11 3 0 20.36-999 ?-999 ?-999 ? MG MG B 301 mILE^C 78 68.25 4.47 -14.70 68.67 4.76 -13.84 66.65 2.67 -14.39 66.53 2.67 -13.18 67.96 3.09 -15.03 69.06 2.16 -14.52 3 0 22.73-999 ?-999 ?-999 ? MG MG B 301 mSER^C 79 65.68 2.28 -15.19 65.92 2.24 -16.17 64.34 0.54 -14.11 65.22 -0.24 -14.41 64.38 1.95 -14.66 63.30 2.19 -15.70 2 0 21.59-999 ?-999 ?-999 ? MG MG B 301 mPRO^C 80 63.34 0.22 -13.29 62.72 0.96 -13.04 62.88 -2.15 -13.91 63.28 -3.30 -13.81 63.20 -1.15 -12.80 62.02 -1.05 -11.83 3 0 23.23-999 ?-999 ?-999 ? MG MG B 301 mASP^C 81 62.13 -1.72 -14.93 61.76 -0.80 -14.82 63.15 -2.60 -17.03 63.08 -3.09 -18.15 61.91 -2.56 -16.11 60.68 -2.08 -16.91 2 0 25.04-999 ?-999 ?-999 ? MG MG B 301 mGLY^C 82 64.27 -2.04 -16.58 64.17 -1.55 -15.71 65.82 -1.15 -18.41 66.91 -1.15 -18.95 65.53 -2.15 -17.30-999.99-999.99-999.99 1 0 26.42-999 ?-999 ?-999 ? MG MG B 301 mSER^C 83 64.86 -0.30 -18.78 63.96 -0.46 -18.38 66.19 1.77 -19.12 66.21 2.00 -17.92 65.19 0.76 -19.73 63.94 1.48 -20.26 2 0 25.04-999 ?-999 ?-999 ? MG MG B 301 mVAL^C 84 67.06 2.30 -19.97 67.10 1.86 -20.87 67.32 4.64 -20.33 66.87 4.52 -21.47 67.88 3.44 -19.60 69.41 3.28 -19.93 3 0 24.39-999 ?-999 ?-999 ? MG MG B 301 mASN^C 85 67.31 5.78 -19.66 67.68 5.73 -18.73 67.71 8.13 -19.88 67.83 8.46 -18.71 66.82 7.00 -20.25 65.37 7.26 -19.82 2 0 21.94-999 ?-999 ?-999 ? MG MG B 301 mLYS^C 86 68.38 8.73 -20.86 68.24 8.33 -21.76 68.45 11.18 -20.81 67.67 11.26 -21.75 69.22 9.88 -20.56 70.54 9.82 -21.35 2 0 22.14-999 ?-999 ?-999 ? MG MG B 301 mARG^C 87 68.63 12.15 -19.93 69.22 11.88 -19.17 69.15 14.52 -19.99 70.16 14.31 -19.32 68.04 13.48 -20.07 67.10 13.76 -18.92 2 0 19.65-999 ?-999 ?-999 ? MG MG B 301 mTHR^C 88 68.96 15.66 -20.64 68.11 15.72 -21.17 69.39 18.09 -20.19 68.22 18.37 -20.42 69.96 16.71 -20.56 70.82 16.80 -21.83 2 0 20.62-999 ?-999 ?-999 ? MG MG B 301 mGLY^C 89 70.24 18.91 -19.58 71.10 18.46 -19.31 71.29 21.07 -19.16 72.37 20.48 -19.09 69.98 20.32 -19.31-999.99-999.99-999.99 1 0 18.96-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 90 71.20 22.40 -19.07 70.26 22.74 -19.10 72.09 24.32 -17.91 71.11 25.03 -18.00 72.37 23.25 -18.94 72.68 23.93 -20.28 2 0 17.13-999 ?-999 ?-999 ? MG MG C 302 mALA^C 91 72.96 24.40 -16.92 73.67 23.71 -16.95 72.99 26.84 -16.44 73.71 27.09 -17.41 72.87 25.42 -15.88 73.94 25.20 -14.87 2 0 13.91-999 ?-999 ?-999 ? MG MG C 302 mSER^C 92 72.28 27.76 -15.79 71.67 27.39 -15.09 73.85 29.64 -15.86 74.53 29.21 -14.93 72.40 29.17 -16.07 71.43 29.93 -15.17 2 0 14.66-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 93 74.34 30.51 -16.72 73.75 30.72 -17.50 75.51 32.44 -15.77 76.49 33.12 -15.50 75.66 31.10 -16.50 76.48 31.28 -17.82 2 0 14.84-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 94 74.28 32.78 -15.42 73.61 32.05 -15.57 74.68 34.51 -13.62 74.83 35.71 -13.39 73.92 34.08 -14.88 72.44 34.06 -14.57 2 0 15.14-999 ?-999 ?-999 ? MG MG C 302 mASN^C 95 75.13 33.54 -12.82 74.89 32.62 -13.11 77.35 33.47 -11.69 77.96 33.18 -10.66 75.90 33.84 -11.60 75.34 33.15 -10.39 2 0 12.09-999 ?-999 ?-999 ? MG MG C 302 mILE^C 96 77.90 33.47 -12.89 77.26 33.59 -13.66 79.81 34.63 -13.58 79.54 34.97 -14.72 79.32 33.30 -13.06 79.64 32.18 -14.03 3 0 12.86-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 97 80.48 35.40 -12.76 80.85 34.96 -11.94 81.98 37.33 -12.69 82.71 36.72 -11.92 80.64 36.81 -13.09 79.55 37.71 -12.40 3 0 15.42-999 ?-999 ?-999 ? MG MG C 302 mCYH^C 98 82.27 38.51 -13.21 81.59 38.87 -13.85 83.06 40.62 -12.46 82.59 41.42 -13.29 83.46 39.21 -12.87 84.41 39.20 -14.07 2 0 17.81-999 ?-999 ?-999 ? MG MG C 302 mTHR^C 99 83.23 40.92 -11.17 83.74 40.22 -10.67 83.79 42.94 -9.78 84.88 42.45 -9.48 82.73 42.15 -10.54 81.56 41.87 -9.52 2 0 18.86-999 ?-999 ?-999 ? MG MG C 302 mASP^C 100 83.41 44.18 -9.46 82.52 44.44 -9.85 85.47 45.42 -9.30 86.51 45.41 -8.68 84.18 45.08 -8.63 84.40 44.48 -7.24 2 0 21.25-999 ?-999 ?-999 ? MG MG C 302 mILE^C 101 85.42 45.75 -10.57 84.50 45.81 -10.96 87.11 47.38 -10.97 86.44 48.36 -11.30 86.66 45.99 -11.31 86.48 45.85 -12.82 3 0 23.77-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 102 88.26 47.47 -10.30 88.68 46.60 -10.07 90.24 48.90 -10.47 91.03 47.97 -10.36 88.82 48.77 -9.96 88.81 48.99 -8.44 3 0 26.61-999 ?-999 ?-999 ? MG MG C 302 mTRP^C 103 90.56 50.06 -11.04 89.82 50.73 -11.00 92.65 51.31 -10.85 92.12 52.29 -10.36 91.86 50.29 -11.64 91.72 50.80 -13.09 3 0 29.75-999 ?-999 ?-999 ? MG MG C 302 mASN^C 104 93.92 51.07 -10.68 94.22 50.12 -10.77 96.02 52.27 -11.20 96.16 51.57 -12.20 94.79 52.18 -10.38 95.09 52.36 -8.91 2 0 32.44-999 ?-999 ?-999 ? MG MG C 302 mSER^C 105 96.90 53.19 -10.80 96.62 53.75 -10.03 98.97 52.00 -11.41 99.87 51.78 -12.21 98.18 53.31 -11.48 99.00 54.45 -10.88 2 0 35.49-999 ?-999 ?-999 ? MG MG C 302 mGLY^C 106 98.61 51.13 -10.46 97.77 51.35 -9.98 98.99 48.71 -10.93 99.79 47.79 -11.12 99.43 49.96 -10.19-999.99-999.99-999.99 1 0 33.43-999 ?-999 ?-999 ? MG MG C 302 mGLY^C 107 97.72 48.66 -11.33 97.22 49.52 -11.23 95.63 47.45 -11.80 95.01 48.52 -11.85 97.15 47.44 -11.88-999.99-999.99-999.99 1 0 30.59-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 108 95.03 46.27 -11.68 95.64 45.48 -11.68 93.24 45.16 -10.48 93.92 44.17 -10.32 93.61 46.17 -11.54 92.94 45.84 -12.91 3 0 27.39-999 ?-999 ?-999 ? MG MG C 302 mGLN^C 109 92.19 45.43 -9.72 91.84 46.36 -9.78 90.23 44.08 -9.37 89.63 44.86 -10.09 91.63 44.39 -8.87 91.63 44.81 -7.40 2 0 24.12-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 110 89.74 42.90 -9.02 90.40 42.33 -8.53 88.08 41.18 -8.67 88.97 40.55 -8.13 88.37 42.51 -9.33 88.16 42.35 -10.83 3 0 20.97-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 111 86.84 40.74 -8.77 86.26 41.29 -9.37 85.76 38.60 -9.07 84.86 38.98 -9.81 86.36 39.56 -8.06 85.29 40.00 -7.08 2 0 17.19-999 ?-999 ?-999 ? MG MG C 302 mMETC 112 86.26 37.38 -9.12 87.12 37.24 -8.63 84.69 35.53 -8.91 85.22 34.94 -7.96 85.54 36.35 -9.87 86.51 35.40 -10.54 2 0 15.02-999 ?-999 ?-999 ? MG MG C 302 mSER^C 113 83.38 35.45 -9.14 83.03 36.10 -9.81 81.77 33.61 -9.35 81.41 34.05 -10.43 82.58 34.46 -8.42 81.69 35.07 -7.34 2 0 11.51-999 ?-999 ?-999 ? MG MG C 302 mALA^C 114 81.51 32.38 -8.94 81.87 32.19 -8.02 79.91 30.57 -8.81 80.34 30.08 -7.74 80.78 31.40 -9.72 81.74 30.48 -10.49 2 0 9.49-999 ?-999 ?-999 ? MG MG C 302 mSER^C 115 78.67 30.40 -9.24 78.49 30.85 -10.11 76.79 29.01 -9.61 76.20 29.73 -10.44 77.67 29.66 -8.53 76.87 30.63 -7.66 2 0 6.94-999 ?-999 ?-999 ? MG MG C 302 mALA^C 116 76.74 27.68 -9.65 77.29 27.22 -8.95 75.18 25.80 -10.09 75.77 24.94 -9.42 75.92 26.98 -10.66 76.76 26.56 -11.82 2 0 8.13-999 ?-999 ?-999 ? MG MG C 302 mSER^C 117 73.87 25.77 -10.34 73.56 26.59 -10.83 73.03 23.49 -10.90 73.22 23.68 -12.10 72.96 24.67 -9.95 71.53 25.14 -10.01 2 0 8.59-999 ?-999 ?-999 ? MG MG C 302 mASN^C 118 72.81 22.28 -10.40 72.94 22.18 -9.42 70.95 21.49 -11.83 70.04 21.55 -11.01 72.42 21.21 -11.34 72.64 19.83 -10.69 2 0 10.95-999 ?-999 ?-999 ? MG MG C 302 mPRO^C 119 70.72 21.71 -13.15 71.52 21.58 -13.74 68.37 20.96 -13.74 67.17 21.21 -13.92 69.39 22.10 -13.65 69.70 22.62 -15.06 3 0 14.08-999 ?-999 ?-999 ? MG MG C 302 mLEU^C 120 68.85 19.72 -13.65 69.84 19.67 -13.56 67.64 18.10 -12.25 66.70 17.33 -12.05 68.00 18.55 -13.67 68.69 17.40 -14.39 3 0 15.01-999 ?-999 ?-999 ? MG MG B 301 mASN^C 121 68.41 18.59 -11.27 69.07 19.27 -11.57 67.88 19.27 -8.92 68.58 20.28 -8.83 68.27 18.14 -9.88 69.55 17.44 -9.40 2 0 13.96-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 122 66.76 19.10 -8.21 66.34 18.20 -8.31 66.76 20.09 -5.93 67.14 21.15 -5.33 66.23 20.18 -7.37 64.68 20.19 -7.36 3 0 11.12-999 ?-999 ?-999 ? MG MG B 302 mTYR^C 123 66.80 18.83 -5.42 66.50 18.12 -6.06 68.72 18.92 -3.71 69.20 18.72 -2.58 67.25 18.56 -4.01 67.00 17.08 -3.64 3 0 11.96-999 ?-999 ?-999 ? MG MG B 302 mALA^C 124 69.43 19.47 -4.70 68.89 19.68 -5.52 71.21 21.23 -4.58 70.46 22.06 -5.10 70.87 19.73 -4.58 71.66 18.98 -5.68 2 0 9.19-999 ?-999 ?-999 ? MG MG C 302 mPRO^C 125 72.34 21.56 -3.96 72.78 20.76 -3.56 73.90 23.14 -4.96 74.22 22.23 -5.72 72.93 22.88 -3.83 73.71 22.79 -2.52 3 0 5.58-999 ?-999 ?-999 ? MG MG C 302 mPRO^C 126 74.38 24.39 -5.05 74.09 25.01 -4.32 76.73 24.70 -5.80 77.09 24.69 -4.61 75.24 24.81 -6.14 74.82 26.26 -6.36 3 0 -4.19-999 ?-999 ?-999 ? MG MG C 302s mVAL^C 127 77.58 24.60 -6.81 77.16 24.54 -7.72 79.44 26.02 -6.66 79.02 26.72 -7.54 79.00 24.59 -6.57 79.76 23.72 -7.59 3 0 4.16-999 ?-999 ?-999 ? MG MG C 302 mASP^C 128 80.27 26.45 -5.72 80.64 25.74 -5.13 82.07 28.03 -5.52 82.76 27.20 -4.92 80.58 27.85 -5.58 80.05 28.39 -4.25 2 0 -4.58-999 ?-999 ?-999 ? MG MG C 302s mTYR^C 129 82.56 29.12 -6.10 81.99 29.53 -6.81 83.87 31.16 -5.76 83.07 31.76 -6.46 83.83 29.64 -5.69 84.93 29.03 -6.52 3 0 7.89-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 130 84.75 31.79 -4.99 85.16 31.24 -4.26 86.56 33.52 -5.09 87.15 33.21 -4.06 85.07 33.19 -5.25 84.11 34.22 -4.58 3 0 10.83-999 ?-999 ?-999 ? MG MG C 302 mLEU^C 131 87.14 34.11 -6.16 86.55 34.15 -6.97 88.49 36.13 -6.12 87.86 36.81 -6.93 88.49 34.64 -6.15 89.30 34.23 -7.37 3 0 14.46-999 ?-999 ?-999 ? MG MG C 302 mASN^C 132 89.23 36.65 -5.16 89.50 36.01 -4.44 90.96 38.12 -5.82 91.92 37.53 -5.32 89.61 38.04 -5.18 89.66 38.54 -3.77 2 0 17.36-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 133 91.05 38.81 -6.94 90.22 39.28 -7.25 92.88 40.19 -7.87 92.14 41.10 -8.16 92.34 38.83 -7.63 92.39 37.91 -8.91 3 0 20.29-999 ?-999 ?-999 ? MG MG C 302 mCYH^C 134 94.17 40.32 -7.68 94.65 39.51 -7.35 95.89 41.29 -8.99 96.79 40.51 -8.76 94.82 41.56 -7.94 95.39 42.12 -6.64 2 0 23.95-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 135 95.75 41.88 -10.17 94.91 42.40 -10.28 97.55 43.05 -11.31 97.01 44.14 -11.34 96.75 41.75 -11.20 96.11 41.46 -12.56 3 0 26.34-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 136 98.86 42.91 -11.38 99.16 41.96 -11.43 100.28 44.31 -12.77 100.46 43.39 -13.55 99.75 44.04 -11.38 100.91 43.72 -10.45 2 0 29.99-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 137 100.54 45.57 -13.07 100.29 46.22 -12.35 102.34 45.17 -14.87 102.50 45.01 -16.08 101.12 45.96 -14.37 101.40 47.45 -14.42 2 0 33.10-999 ?-999 ?-999 ? MG MG C 302 mASP^C 138 103.17 44.67 -13.96 102.92 44.89 -13.02 104.01 42.38 -14.58 104.90 41.58 -14.82 104.33 43.86 -14.35 105.43 43.97 -13.30 2 0 34.29-999 ?-999 ?-999 ? MG MG C 302 mGLY^C 139 102.75 41.99 -14.48 102.09 42.67 -14.16 102.08 39.76 -13.63 101.43 38.71 -13.79 102.42 40.63 -14.81-999.99-999.99-999.99 1 0 31.33-999 ?-999 ?-999 ? MG MG C 302 mSER^C 140 102.47 40.18 -12.43 102.93 41.07 -12.41 100.77 39.43 -10.72 100.04 40.39 -10.97 102.22 39.34 -11.26 103.22 39.64 -10.17 2 0 29.36-999 ?-999 ?-999 ? MG MG C 302 mILE^C 141 100.38 38.39 -9.99 101.07 37.68 -9.85 99.02 37.93 -8.00 99.88 37.19 -7.51 99.05 38.32 -9.47 98.15 37.36 -10.26 3 0 25.74-999 ?-999 ?-999 ? MG MG C 302 mASP^C 142 98.02 38.47 -7.31 97.51 39.16 -7.81 96.24 37.58 -5.92 95.30 38.34 -6.22 97.71 38.08 -5.96 97.94 39.27 -5.03 2 0 23.76-999 ?-999 ?-999 ? MG MG C 301 mVAL^C 143 96.07 36.31 -5.56 96.92 35.85 -5.29 94.41 35.10 -4.18 95.17 34.29 -3.66 94.76 35.65 -5.55 94.78 34.45 -6.50 3 0 20.00-999 ?-999 ?-999 ? MG MG C 301 mGLN^C 144 93.29 35.54 -3.60 92.91 36.37 -4.00 91.34 34.22 -2.82 90.38 34.92 -3.13 92.68 34.83 -2.45 92.55 35.66 -1.16 2 0 17.15-999 ?-999 ?-999 ? MG MG C 301 mGLY^C 145 91.29 32.89 -2.74 92.13 32.47 -2.38 89.47 31.34 -2.05 90.07 31.08 -1.00 90.12 32.13 -3.16-999.99-999.99-999.99 1 0 13.72-999 ?-999 ?-999 ? MG MG C 301 mGLU^C 146 88.22 30.99 -2.31 87.87 31.39 -3.15 86.63 29.23 -2.41 86.13 29.69 -3.40 87.41 30.12 -1.49 86.41 30.94 -0.72 2 0 10.03-999 ?-999 ?-999 ? MG MG C 301 mHIS^C 147 86.52 27.95 -2.10 87.07 27.66 -1.32 84.99 25.97 -2.03 85.49 25.67 -0.93 85.63 27.07 -2.88 86.39 26.45 -4.03 3 0 7.50-999 ?-999 ?-999 ? MG MG C 301 mASP^C 148 83.86 25.42 -2.51 83.49 25.90 -3.30 84.25 23.05 -2.04 85.14 23.07 -2.89 83.25 24.21 -1.93 81.96 23.83 -2.68 2 0 4.27-999 ?-999 ?-999 ? MG MG C 301s mGLY^C 149 84.13 22.04 -1.17 83.37 22.11 -0.53 84.88 19.87 -2.28 85.49 18.79 -2.23 85.09 20.92 -1.20-999.99-999.99-999.99 1 0 6.13-999 ?-999 ?-999 ? MG MG C 301 mPHE^C 150 84.03 20.17 -3.26 83.65 21.10 -3.20 83.11 20.00 -5.51 82.43 20.99 -5.30 83.69 19.22 -4.31 82.64 18.24 -3.77 3 0 7.75-999 ?-999 ?-999 ? MG MG C 301 mPRO^C 151 83.37 19.57 -6.77 82.86 20.15 -7.39 85.65 18.90 -7.33 86.18 19.23 -6.27 84.20 18.50 -7.34 83.71 18.40 -8.79 3 0 10.56-999 ?-999 ?-999 ? MG MG C 301 mCYH^C 152 86.31 18.87 -8.48 85.82 18.44 -9.24 87.62 20.84 -9.14 86.75 21.18 -9.98 87.66 19.43 -8.58 88.54 18.60 -9.47 2 0 12.85-999 ?-999 ?-999 ? MG MG C 301 mPHE^C 153 88.59 21.64 -8.68 89.21 21.20 -8.03 90.17 23.19 -9.51 91.08 22.70 -8.84 88.74 23.02 -9.06 88.54 23.87 -7.84 3 0 13.04-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 154 90.37 23.87 -10.62 89.54 24.13 -11.12 91.74 25.67 -11.50 90.78 26.15 -12.09 91.72 24.21 -11.06 92.15 23.28 -12.18 2 0 16.40-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 155 92.83 26.38 -11.21 93.52 25.87 -10.69 94.36 27.97 -12.22 95.36 27.58 -11.60 93.00 27.77 -11.62 92.87 28.70 -10.43 3 0 17.84-999 ?-999 ?-999 ? MG MG C 302 mTYR^C 156 94.42 28.59 -13.40 93.53 28.86 -13.77 95.89 30.29 -14.50 94.91 31.00 -14.70 95.70 28.84 -14.09 95.82 27.98 -15.35 3 0 21.54-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 157 97.15 30.70 -14.65 97.82 29.98 -14.42 98.25 31.93 -16.44 99.03 30.99 -16.64 97.55 32.04 -15.10 98.51 32.64 -14.07 2 0 24.26-999 ?-999 ?-999 ? MG MG C 302 mGLN^C 158 97.99 32.87 -17.35 97.30 33.54 -17.07 99.04 34.28 -19.18 98.15 35.07 -19.52 98.69 32.87 -18.66 97.86 32.12 -19.69 2 0 27.32-999 ?-999 ?-999 ? MG MG C 302 mVAL^C 159 100.32 34.60 -19.28 101.00 33.91 -19.03 101.13 36.04 -21.19 101.86 35.20 -21.66 100.61 35.95 -19.75 101.40 36.76 -18.69 3 0 30.33-999 ?-999 ?-999 ? MG MG C 302 mASP^C 160 100.69 37.07 -21.91 100.03 37.64 -21.42 101.12 36.15 -24.20 102.04 35.96 -24.97 101.13 37.34 -23.28 102.50 38.00 -23.28 2 0 30.23-999 ?-999 ?-999 ? MG MG D 302 mPHE^C 161 100.06 35.35 -24.14 99.37 35.68 -23.50 101.03 33.08 -24.68 101.24 32.20 -25.51 99.92 34.13 -24.93 99.83 34.44 -26.42 3 0 28.53-999 ?-999 ?-999 ? MG MG D 302 mGLY^C 162 101.72 33.18 -23.55 101.50 33.98 -23.00 102.16 30.85 -22.68 100.96 30.57 -22.83 102.73 32.19 -23.18-999.99-999.99-999.99 1 0 31.91-999 ?-999 ?-999 ? MG MG D 302 mPRO^C 163 103.01 30.02 -22.08 103.97 30.29 -22.12 101.52 29.16 -20.29 101.43 30.32 -19.89 102.53 28.80 -21.41 103.79 28.24 -20.77 3 0 31.23-999 ?-999 ?-999 ? MG MG C 302 mPHE^C 164 100.80 28.15 -19.80 100.93 27.29 -20.29 100.65 27.93 -17.39 101.21 26.85 -17.32 99.89 28.28 -18.66 98.81 27.24 -18.78 3 0 27.46-999 ?-999 ?-999 ? MG MG C 302 mGLU^C 165 100.66 28.80 -16.38 100.29 29.70 -16.60 100.04 28.07 -14.13 98.94 28.62 -14.28 101.19 28.42 -15.06 101.96 29.55 -14.42 2 0 26.70-999 ?-999 ?-999 ? MG MG C 302 mLYS^C 166 100.28 27.18 -13.17 101.23 26.87 -13.14 99.11 27.66 -11.07 100.11 28.07 -10.50 99.24 26.71 -12.25 99.61 25.34 -11.75 2 0 23.43-999 ?-999 ?-999 ? MG MG C 301 mILE^C 167 97.90 28.05 -10.72 97.15 27.70 -11.28 97.46 28.07 -8.39 98.14 28.17 -7.39 97.74 28.93 -9.58 96.61 29.94 -9.76 3 0 21.20-999 ?-999 ?-999 ? MG MG C 301 mTYR^C 168 96.47 27.20 -8.53 96.07 27.19 -9.45 95.09 25.30 -8.03 94.33 25.60 -8.93 96.01 26.34 -7.46 95.24 27.19 -6.47 3 0 18.19-999 ?-999 ?-999 ? MG MG C 301 mTHR^C 169 95.17 24.07 -7.51 95.95 23.94 -6.90 93.73 22.32 -6.56 94.51 22.20 -5.64 94.19 23.02 -7.83 94.76 21.93 -8.76 2 0 16.61-999 ?-999 ?-999 ? MG MG C 301 mHIS^C 170 92.48 21.86 -6.54 91.95 22.10 -7.35 91.32 19.81 -5.96 90.51 19.84 -6.90 91.95 21.08 -5.43 90.93 21.89 -4.63 3 0 13.72-999 ?-999 ?-999 ? MG MG C 301 mASP^C 171 91.68 18.70 -5.34 92.23 18.84 -4.52 90.57 16.63 -4.71 91.21 16.08 -3.80 91.30 17.40 -5.82 92.57 16.68 -6.24 2 0 14.53-999 ?-999 ?-999 ? MG MG C 301 mPHE^C 172 89.24 16.57 -4.78 88.85 16.93 -5.63 88.77 14.57 -3.37 88.60 14.12 -2.25 88.44 16.02 -3.69 86.95 16.17 -3.96 3 0 12.27-999 ?-999 ?-999 ? MG MG C 301 mARG^C 173 89.24 13.83 -4.36 89.29 14.26 -5.26 90.97 12.36 -3.34 91.29 11.31 -2.80 89.62 12.47 -4.07 89.44 11.53 -5.28 2 0 15.58-999 ?-999 ?-999 ? MG MG C 301 mGLU^C 174 91.75 13.44 -3.28 91.50 14.18 -3.91 92.36 13.76 -0.93 92.59 12.99 -0.02 92.89 13.49 -2.33 93.93 14.60 -2.65 2 0 16.74-999 ?-999 ?-999 ? MG MG C 301 mTHR^C 175 91.60 14.84 -0.81 91.31 15.21 -1.69 90.03 14.79 1.15 89.59 15.23 2.21 91.24 15.45 0.47 90.94 16.96 0.27 2 0 13.93-999 ?-999 ?-999 ? MG MG C 301 mGLY^C 176 89.50 13.73 0.52 89.92 13.56 -0.37 87.08 13.62 1.22 86.50 13.62 2.30 88.42 12.91 1.06-999.99-999.99-999.99 1 0 13.69-999 ?-999 ?-999 ? MG MG C 301 mASP^C 177 86.60 14.23 0.15 87.13 14.11 -0.68 84.29 14.31 -0.57 84.52 13.24 -1.15 85.38 15.00 0.23 85.60 16.42 -0.31 2 0 10.25-999 ?-999 ?-999 ? MG MG C 301 mTHR^C 178 83.13 14.94 -0.62 83.17 15.89 -0.32 81.05 15.30 -1.84 81.36 16.48 -1.85 81.90 14.29 -1.08 81.10 13.71 0.14 2 0 9.81-999 ?-999 ?-999 ? MG MG C 301 mALA^C 179 79.98 14.83 -2.47 79.93 13.83 -2.51 78.23 16.51 -1.96 77.38 17.36 -2.23 78.98 15.73 -3.05 77.99 14.95 -3.93 2 0 8.95-999 ?-999 ?-999 ? MG MG C 301 mALA^C 180 78.57 16.20 -0.72 79.24 15.47 -0.63 78.61 18.27 0.56 77.97 19.22 1.03 77.97 16.90 0.41 78.13 16.09 1.70 2 0 7.14-999 ?-999 ?-999 ? MG MG C 301 mALA^C 181 79.87 18.37 0.14 80.23 17.54 -0.29 80.12 20.70 -0.55 80.42 21.87 -0.33 80.65 19.58 0.32 82.11 19.32 0.03 2 0 -4.22-999 ?-999 ?-999 ? MG MG C 301s mLEU^C 182 79.30 20.33 -1.54 79.23 19.34 -1.67 77.73 22.24 -1.50 77.52 23.38 -1.91 78.58 21.30 -2.34 77.67 20.58 -3.32 3 0 4.25-999 ?-999 ?-999 ? MG MG C 301s mGLY^C 183 77.25 21.75 -0.36 77.63 20.86 -0.10 76.88 23.25 1.56 78.06 23.13 1.85 76.27 22.45 0.43-999.99-999.99-999.99 1 0 -4.00-999 ?-999 ?-999 ? MG MG C 301s mGLY^C 184 76.05 24.08 2.20 75.12 24.10 1.83 77.37 25.99 2.85 77.02 26.72 1.92 76.47 24.88 3.34-999.99-999.99-999.99 1 0 4.50-999 ?-999 ?-999 ? MG MG C 301 mASN^C 185 78.54 26.10 3.47 78.71 25.40 4.15 80.58 26.81 2.18 80.71 25.65 1.81 79.47 27.18 3.15 80.06 27.66 4.46 2 0 -4.19-999 ?-999 ?-999 ? MG MG C 301s mMETC 186 81.37 27.80 1.77 81.06 28.72 1.98 83.69 27.08 2.05 84.28 27.89 2.77 82.61 27.50 1.06 83.05 28.64 0.18 2 0 4.57-999 ?-999 ?-999 ? MG MG C 301 mASP^C 187 83.93 25.78 2.05 83.57 25.30 1.26 86.19 25.04 2.94 86.84 24.43 3.76 84.66 25.11 3.10 84.01 23.73 3.39 2 0 -5.33-999 ?-999 ?-999 ? MG MG C 301s mTYR^C 188 86.75 25.64 1.90 86.08 26.05 1.28 88.62 27.06 1.23 87.94 27.65 0.40 88.21 25.69 1.69 88.64 24.75 0.56 3 0 8.45-999 ?-999 ?-999 ? MG MG C 301 mSER^C 189 89.73 27.57 1.75 90.09 27.05 2.52 91.81 28.61 0.80 92.43 27.62 1.18 90.33 28.79 1.19 90.13 30.00 2.11 2 0 11.48-999 ?-999 ?-999 ? MG MG C 301 mPHE^C 190 92.34 29.53 0.01 91.70 30.23 -0.30 94.21 30.88 -0.74 93.41 31.74 -1.11 93.75 29.49 -0.36 94.01 28.53 -1.54 3 0 14.92-999 ?-999 ?-999 ? MG MG C 301 mTHR^C 191 95.52 31.07 -0.65 96.01 30.30 -0.25 97.39 31.89 -1.93 98.12 31.00 -1.53 96.18 32.27 -1.09 96.54 33.15 0.11 2 0 18.37-999 ?-999 ?-999 ? MG MG C 301 mLYS^C 192 97.56 32.53 -3.08 96.82 33.17 -3.31 99.20 33.62 -4.53 98.40 34.46 -4.93 98.71 32.33 -3.93 98.35 31.40 -5.07 2 0 21.11-999 ?-999 ?-999 ? MG MG C 301 mARG^C 193 100.51 33.79 -4.61 101.05 33.17 -4.04 101.92 34.20 -6.56 102.65 33.25 -6.34 101.08 34.83 -5.46 101.99 35.79 -4.71 2 0 24.61-999 ?-999 ?-999 ? MG MG C 301 mLEU^C 194 101.78 34.76 -7.76 100.92 35.26 -7.87 102.54 35.69 -9.90 103.38 35.89 -10.77 102.79 34.64 -8.82 102.87 33.22 -9.43 3 0 27.02-999 ?-999 ?-999 ? MG MG C 301 mMETD 1 92.73 4.73 -28.71 93.55 4.17 -28.79 91.88 7.05 -28.32 92.29 7.41 -27.22 91.52 5.56 -28.59 90.56 4.97 -27.54 2 0 35.55-999 ?-999 ?-999 ? MG MG C 302 mTHR^D 2 91.73 7.89 -29.34 91.57 7.43 -30.22 90.47 9.93 -28.75 89.44 9.67 -29.38 91.82 9.34 -29.18 92.29 10.03 -30.47 2 0 34.13-999 ?-999 ?-999 ? MG MG C 302 mASN^D 3 90.48 10.72 -27.69 91.39 10.99 -27.40 88.59 12.35 -27.69 87.47 12.27 -28.18 89.25 11.14 -27.04 89.53 11.43 -25.56 2 0 30.57-999 ?-999 ?-999 ? MG MG C 302 mILE^D 4 89.28 13.48 -27.67 90.22 13.39 -27.34 89.67 15.51 -28.95 90.88 15.49 -28.69 88.68 14.73 -28.09 88.19 15.57 -26.88 3 0 29.70-999 ?-999 ?-999 ? MG MG C 302 mILE^D 5 89.16 16.17 -29.99 88.16 16.10 -30.07 89.39 18.27 -31.30 88.18 18.40 -31.47 90.00 16.92 -30.93 90.32 16.10 -32.21 3 0 28.45-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 6 90.24 19.28 -31.45 91.20 19.00 -31.46 90.25 21.38 -32.87 91.38 21.20 -33.33 89.78 20.68 -31.57 90.24 21.46 -30.33 2 0 25.19-999 ?-999 ?-999 ? MG MG D 302 mILE^D 7 89.36 22.17 -33.45 88.43 22.12 -33.08 89.46 24.51 -34.17 88.32 24.85 -33.88 89.76 23.05 -34.55 89.03 22.73 -35.87 3 0 21.56-999 ?-999 ?-999 ? MG MG D 302 mARG^D 8 90.48 25.35 -34.18 91.36 24.96 -34.46 90.45 27.62 -35.03 91.39 27.42 -35.82 90.29 26.74 -33.80 91.26 27.08 -32.68 2 0 19.74-999 ?-999 ?-999 ? MG MG D 302 mALA^D 9 89.52 28.55 -35.24 88.75 28.52 -34.61 89.75 30.91 -35.78 89.01 31.26 -34.87 89.67 29.50 -36.34 88.55 29.40 -37.31 2 0 16.03-999 ?-999 ?-999 ? MG MG D 302 mSER^D 10 90.64 31.72 -36.32 91.18 31.35 -37.07 90.96 34.01 -36.97 91.71 33.72 -37.89 90.76 33.07 -35.81 91.94 33.13 -34.84 2 0 15.17-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 11 90.25 35.12 -36.95 89.59 35.18 -36.20 90.83 37.42 -37.25 90.10 37.93 -36.39 90.44 36.14 -37.96 89.15 36.34 -38.78 3 0 12.33-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 12 91.99 37.96 -37.57 92.48 37.54 -38.33 93.21 40.13 -37.59 93.76 39.80 -38.64 92.46 39.12 -36.78 93.33 38.65 -35.62 3 0 14.17-999 ?-999 ?-999 ? MG MG D 302 mILE^D 13 93.26 41.36 -37.11 92.71 41.52 -36.29 95.32 42.63 -36.90 95.21 43.10 -35.76 94.08 42.38 -37.75 93.31 43.69 -37.92 3 0 14.94-999 ?-999 ?-999 ? MG MG D 302 mPRO^D 14 96.50 42.32 -37.45 96.43 41.99 -38.39 98.15 43.85 -36.27 98.89 43.97 -35.32 97.78 42.45 -36.76 98.79 41.95 -37.81 3 0 18.29-999 ?-999 ?-999 ? MG MG D 302 mMETD 15 97.67 44.90 -36.91 97.06 44.68 -37.67 97.15 46.72 -35.37 96.25 46.02 -34.97 98.03 46.26 -36.51 97.91 47.28 -37.65 2 0 19.75-999 ?-999 ?-999 ? MG MG D 302 mSER^D 16 97.44 47.90 -34.86 98.20 48.38 -35.30 95.56 49.17 -34.28 94.52 49.26 -33.63 96.73 48.43 -33.75 97.61 49.40 -33.02 2 0 21.51-999 ?-999 ?-999 ? MG MG D 302 mTRP^D 17 95.75 49.73 -35.47 96.66 49.58 -35.86 94.74 50.18 -37.60 95.82 50.04 -38.16 94.71 50.49 -36.12 94.90 51.97 -35.85 3 0 19.91-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 18 93.57 50.04 -38.23 92.76 50.03 -37.65 94.02 51.22 -40.23 94.17 52.22 -39.49 93.52 49.91 -39.68 92.11 49.69 -40.22 2 0 16.93-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 19 94.32 51.24 -41.52 94.11 50.41 -42.03 93.89 53.57 -42.32 92.76 53.33 -42.72 94.92 52.44 -42.09 95.71 52.08 -43.34 2 0 18.54-999 ?-999 ?-999 ? MG MG D 302 mALA^D 20 94.28 54.78 -42.03 95.24 54.85 -41.77 92.59 56.01 -43.40 93.12 55.72 -44.47 93.37 55.91 -42.10 94.17 57.20 -41.87 2 0 20.46-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 21 91.32 56.41 -43.33 90.95 56.38 -42.40 90.24 58.29 -44.30 89.86 58.66 -43.20 90.57 56.85 -44.52 89.25 56.10 -44.66 2 0 19.58-999 ?-999 ?-999 ? MG MG D 302 mMETD 22 90.35 59.11 -45.33 90.61 58.69 -46.19 88.98 60.98 -46.03 88.91 60.59 -47.18 90.09 60.52 -45.13 91.32 61.34 -45.42 2 0 20.85-999 ?-999 ?-999 ? MG MG E 301 mASP^D 23 88.12 61.82 -45.51 88.28 62.06 -44.55 87.24 63.83 -46.52 87.39 64.56 -45.57 87.03 62.35 -46.31 85.70 62.10 -45.60 2 0 18.15-999 ?-999 ?-999 ? MG MG E 301 mMETD 24 87.28 64.30 -47.75 87.16 63.65 -48.50 86.18 66.49 -47.67 86.17 67.73 -47.66 87.50 65.74 -47.88 88.12 66.15 -49.22 2 0 19.70-999 ?-999 ?-999 ? MG MG E 301 mGLU^D 25 85.08 65.74 -47.53 85.23 64.76 -47.57 83.66 66.92 -45.91 83.43 68.13 -45.70 83.77 66.39 -47.34 82.59 65.45 -47.63 2 0 16.43-999 ?-999 ?-999 ? MG MG E 301 mTHR^D 26 83.83 66.01 -44.95 84.01 65.09 -45.30 85.08 66.83 -42.94 85.08 67.47 -41.89 83.76 66.31 -43.53 83.24 65.08 -42.77 2 0 15.90-999 ?-999 ?-999 ? MG MG E 301 mGLY^D 27 86.20 66.59 -43.65 86.00 66.19 -44.54 88.20 65.82 -42.24 89.33 65.98 -41.80 87.58 66.90 -43.17-999.99-999.99-999.99 1 0 19.64-999 ?-999 ?-999 ? MG MG E 301 mGLN^D 28 87.49 64.71 -41.99 86.70 64.56 -42.57 88.70 62.62 -41.34 88.62 62.17 -42.46 87.87 63.80 -40.94 86.65 63.19 -40.37 2 0 19.15-999 ?-999 ?-999 ? MG MG E 301 mVAL^D 29 89.44 62.07 -40.39 89.47 62.58 -39.53 89.47 59.77 -39.74 89.15 60.06 -38.61 90.14 60.83 -40.60 91.63 60.99 -40.27 3 0 21.03-999 ?-999 ?-999 ? MG MG E 301 mILE^D 30 89.26 58.57 -40.28 89.61 58.50 -41.22 89.52 56.25 -39.60 90.17 55.95 -40.61 88.58 57.46 -39.59 87.29 56.95 -40.36 3 0 19.73-999 ?-999 ?-999 ? MG MG E 301 mGLN^D 31 89.62 55.57 -38.47 89.27 56.04 -37.66 89.50 53.39 -37.46 88.82 53.88 -36.60 90.19 54.24 -38.46 91.67 54.24 -38.18 2 0 19.25-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 32 89.65 52.08 -37.61 90.15 51.82 -38.44 90.25 50.43 -35.98 91.35 50.31 -36.52 89.12 51.13 -36.68 88.30 50.12 -37.39 3 0 17.57-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 33 89.96 49.97 -34.78 89.01 50.08 -34.49 91.29 47.96 -34.41 90.40 47.18 -34.77 90.96 49.37 -33.95 90.45 49.36 -32.54 2 0 18.99-999 ?-999 ?-999 ? MG MG D 302 mGLY^D 34 92.57 47.63 -34.42 93.18 48.37 -34.12 93.21 45.41 -33.62 92.64 45.70 -32.55 93.02 46.29 -34.84-999.99-999.99-999.99 1 0 17.73-999 ?-999 ?-999 ? MG MG D 302 mASP^D 35 94.02 44.35 -33.76 94.47 44.29 -34.65 95.64 43.38 -32.13 95.95 42.66 -31.18 94.22 43.39 -32.67 93.83 42.00 -33.14 2 0 19.09-999 ?-999 ?-999 ? MG MG D 302 mSER^D 36 96.51 44.17 -32.74 96.16 44.58 -33.58 98.54 43.15 -31.73 99.02 43.09 -30.60 97.85 44.42 -32.20 97.80 45.43 -31.06 2 0 21.87-999 ?-999 ?-999 ? MG MG D 302 mARG^D 37 98.59 42.13 -32.58 98.15 42.30 -33.46 99.71 40.17 -33.47 99.40 40.55 -34.56 99.25 40.90 -32.24 98.33 40.03 -31.43 2 0 22.16-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 38 100.48 39.12 -33.28 100.77 38.98 -32.33 100.08 36.94 -34.32 99.21 36.77 -33.47 100.87 38.25 -34.37 102.37 37.99 -34.30 2 0 21.83-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 39 100.37 36.03 -35.24 101.04 36.33 -35.92 100.01 34.02 -33.90 101.13 34.02 -33.41 99.74 34.72 -35.22 100.23 33.85 -36.38 3 0 20.82-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 40 98.97 33.45 -33.31 98.09 33.63 -33.75 97.87 31.85 -31.83 96.76 32.34 -32.07 99.14 32.63 -32.12 99.52 33.46 -30.88 2 0 22.92-999 ?-999 ?-999 ? MG MG D 302 mPRO^D 41 98.03 30.63 -31.30 98.98 30.35 -31.14 96.23 30.13 -29.66 95.15 29.63 -29.36 96.86 29.80 -31.00 97.46 28.38 -30.97 3 0 23.25-999 ?-999 ?-999 ? MG MG D 302 mHIS^D 42 96.89 30.95 -28.85 97.66 31.41 -29.28 95.62 32.38 -27.24 95.65 33.02 -26.17 96.49 31.14 -27.45 97.73 31.21 -26.57 3 0 25.34-999 ?-999 ?-999 ? MG MG D 302 mALA^D 43 94.85 32.73 -28.25 94.75 32.03 -28.96 92.74 33.96 -27.86 92.03 34.97 -27.92 94.20 34.03 -28.30 94.29 34.60 -29.70 2 0 22.79-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 44 92.29 32.79 -27.42 92.99 32.07 -27.34 90.45 33.60 -26.04 91.22 33.91 -25.14 90.88 32.60 -27.10 90.60 31.19 -26.57 3 0 22.94-999 ?-999 ?-999 ? MG MG D 302 mASN^D 45 89.22 34.10 -26.16 88.76 33.89 -27.03 89.48 36.10 -24.69 89.28 36.66 -23.62 88.62 34.90 -25.10 88.35 34.04 -23.87 2 0 23.75-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 46 90.44 36.47 -25.54 90.52 35.90 -26.35 90.72 38.88 -25.93 91.20 39.99 -25.69 91.28 37.63 -25.27 92.72 37.43 -25.78 2 0 23.98-999 ?-999 ?-999 ? MG MG D 302 mMETD 47 89.69 38.69 -26.76 89.35 37.75 -26.77 90.14 40.31 -28.54 90.05 41.46 -28.96 89.12 39.77 -27.55 88.61 40.90 -26.67 2 0 21.17-999 ?-999 ?-999 ? MG MG D 302 mARG^D 48 91.12 39.48 -28.91 91.10 38.58 -28.47 91.89 39.28 -31.25 92.85 38.90 -31.94 92.13 39.89 -29.88 93.53 39.51 -29.38 2 0 19.99-999 ?-999 ?-999 ? MG MG D 302 mSER^D 49 90.62 39.17 -31.64 89.95 39.41 -30.93 88.99 39.41 -33.43 88.17 39.81 -32.60 90.26 38.73 -32.99 90.04 37.21 -33.02 2 0 16.36-999 ?-999 ?-999 ? MG MG D 302 mARG^D 50 88.81 39.51 -34.75 89.56 39.16 -35.31 86.54 39.02 -35.26 85.38 39.31 -34.97 87.60 40.10 -35.29 87.82 40.71 -36.69 2 0 13.35-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 51 86.95 37.77 -35.49 87.94 37.71 -35.65 86.88 35.45 -34.94 88.07 35.30 -35.24 86.07 36.61 -35.50 85.63 36.24 -36.94 3 0 12.92-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 52 86.23 34.62 -34.14 85.27 34.86 -33.98 85.91 32.34 -33.37 84.75 32.55 -32.98 86.89 33.46 -33.55 87.55 33.87 -32.23 2 0 15.74-999 ?-999 ?-999 ? MG MG D 302 mGLN^D 53 86.35 31.14 -33.69 87.32 31.12 -33.96 86.26 28.72 -33.24 87.39 28.51 -33.69 85.47 29.96 -33.64 84.83 29.76 -35.01 2 0 16.97-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 54 85.66 27.92 -32.36 84.82 28.30 -31.98 85.18 25.49 -32.15 84.13 25.53 -31.52 86.21 26.61 -32.00 86.78 26.63 -30.59 2 0 20.28-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 55 85.45 24.54 -33.03 86.23 24.73 -33.64 85.43 22.18 -32.42 86.63 21.99 -32.62 84.67 23.33 -33.08 84.28 22.94 -34.49 3 0 21.54-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 56 84.71 21.43 -31.60 83.74 21.66 -31.58 84.56 19.08 -31.02 83.36 19.00 -30.75 85.31 20.38 -30.80 85.26 20.73 -29.29 3 0 25.27-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 57 85.26 18.08 -31.54 86.21 18.28 -31.79 85.08 15.84 -30.65 86.28 15.64 -30.41 84.62 16.81 -31.71 84.64 16.26 -33.16 3 0 27.40-999 ?-999 ?-999 ? MG MG D 302 mASP^D 58 84.07 15.30 -29.99 83.16 15.56 -30.33 83.88 12.96 -29.23 82.71 12.60 -29.39 84.24 14.40 -28.87 83.38 14.85 -27.71 2 0 29.17-999 ?-999 ?-999 ? MG MG C 302 mPHE^D 59 84.91 12.15 -29.35 85.80 12.56 -29.14 84.32 9.93 -28.63 83.60 8.98 -28.84 84.75 10.78 -29.77 86.01 10.24 -30.44 3 0 31.64-999 ?-999 ?-999 ? MG MG C 302 mTYR^D 60 84.72 10.27 -27.41 85.42 10.98 -27.38 82.60 9.79 -26.15 81.88 8.80 -26.01 84.15 9.63 -26.25 84.89 10.02 -24.97 3 0 29.17-999 ?-999 ?-999 ? MG MG C 302 mLYS^D 61 82.08 11.00 -26.28 82.75 11.72 -26.46 79.89 11.08 -27.47 78.66 11.03 -27.47 80.64 11.23 -26.16 80.36 12.64 -25.63 2 0 27.64-999 ?-999 ?-999 ? MG MG C 302 mGLN^D 62 80.63 11.02 -28.59 81.59 10.86 -28.39 79.18 12.37 -30.16 77.98 12.24 -30.44 80.08 11.16 -29.97 79.38 9.90 -30.46 2 0 30.92-999 ?-999 ?-999 ? MG MG C 302 mGLU^D 63 79.80 13.53 -30.00 80.79 13.46 -29.89 80.02 15.86 -30.58 81.25 15.75 -30.51 79.12 14.80 -29.99 78.83 15.18 -28.56 2 0 29.33-999 ?-999 ?-999 ? MG MG C 302 mVAL^D 64 79.43 16.89 -31.17 78.43 16.80 -31.24 79.78 19.33 -30.99 78.59 19.64 -30.88 80.20 18.02 -31.67 80.08 18.16 -33.18 3 0 26.70-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 65 80.75 20.07 -30.50 81.68 19.72 -30.64 81.13 22.48 -30.53 82.22 22.34 -31.07 80.47 21.31 -29.82 81.00 21.22 -28.42 3 0 25.48-999 ?-999 ?-999 ? MG MG D 302 mSER^D 66 80.49 23.64 -30.49 79.63 23.62 -29.99 80.89 26.06 -30.30 79.83 26.30 -29.73 81.04 24.82 -31.14 80.34 25.06 -32.48 2 0 22.11-999 ?-999 ?-999 ? MG MG D 302 mTYR^D 67 81.97 26.83 -30.25 82.79 26.42 -30.65 82.22 29.14 -30.77 82.99 28.85 -31.71 81.96 28.16 -29.65 83.05 28.26 -28.59 3 0 21.33-999 ?-999 ?-999 ? MG MG D 302 mALA^D 68 81.57 30.28 -30.69 80.96 30.37 -29.90 81.72 32.68 -31.04 81.00 32.92 -30.05 81.75 31.31 -31.67 80.69 31.23 -32.69 2 0 18.12-999 ?-999 ?-999 ? MG MG D 302 mASN^D 69 82.50 33.60 -31.61 83.05 33.29 -32.39 83.13 35.97 -32.02 83.89 35.62 -32.92 82.52 34.94 -31.09 83.26 34.94 -29.76 2 0 17.43-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 70 82.78 37.22 -31.78 82.05 37.32 -31.09 84.02 39.25 -31.43 83.52 39.39 -30.30 83.38 38.35 -32.45 82.34 39.22 -33.13 2 0 15.60-999 ?-999 ?-999 ? MG MG D 302 mGLY^D 71 85.11 39.91 -31.83 85.52 39.59 -32.68 84.78 42.28 -31.13 83.75 42.32 -31.82 85.63 41.02 -31.04-999.99-999.99-999.99 1 0 17.24-999 ?-999 ?-999 ? MG MG D 302 mILE^D 72 85.22 43.31 -30.41 86.04 43.09 -29.87 85.14 45.53 -31.50 86.34 45.63 -31.67 84.58 44.63 -30.40 84.73 45.26 -29.00 3 0 18.59-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 73 84.25 46.15 -32.28 83.31 45.85 -32.13 84.77 48.54 -32.58 83.84 48.99 -31.88 84.65 47.16 -33.26 83.58 47.21 -34.38 2 0 17.00-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 74 85.91 49.20 -32.73 86.62 48.70 -33.23 86.43 51.51 -33.30 87.48 51.33 -33.92 86.03 50.57 -32.19 87.08 50.69 -31.08 2 0 19.86-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 75 85.59 52.50 -33.57 84.78 52.53 -32.97 86.48 54.67 -33.98 86.03 55.14 -32.96 85.84 53.44 -34.63 84.50 53.78 -35.28 2 0 19.67-999 ?-999 ?-999 ? MG MG E 301 mLYS^D 76 87.55 55.16 -34.57 87.87 54.65 -35.37 88.07 57.44 -35.12 88.42 57.19 -36.29 88.18 56.35 -34.05 89.64 56.05 -33.71 2 0 21.27-999 ?-999 ?-999 ? MG MG E 301 mVAL^D 77 87.58 58.63 -34.75 87.34 58.71 -33.79 88.23 60.94 -35.34 87.92 61.56 -34.32 87.45 59.70 -35.75 85.97 60.06 -36.02 3 0 19.65-999 ?-999 ?-999 ? MG MG E 301 mILE^D 78 89.25 61.31 -36.11 89.45 60.70 -36.88 89.29 63.67 -36.55 88.89 63.48 -37.69 89.98 62.54 -35.81 91.46 62.44 -36.23 3 0 22.18-999 ?-999 ?-999 ? MG MG E 301 mSER^D 79 89.11 64.82 -35.92 89.52 64.87 -35.00 89.30 67.02 -37.04 90.46 67.05 -36.68 88.38 65.91 -36.56 87.30 66.43 -35.61 2 0 21.18-999 ?-999 ?-999 ? MG MG E 301 mPRO^D 80 88.80 67.92 -37.90 87.84 67.81 -38.14 90.35 69.78 -37.34 91.33 70.45 -37.61 89.65 68.98 -38.42 88.67 69.87 -39.16 3 0 22.90-999 ?-999 ?-999 ? MG MG E 301 mASP^D 81 89.86 69.72 -36.13 89.12 69.07 -35.99 91.13 69.69 -34.10 91.41 70.06 -32.98 90.40 70.58 -35.10 89.25 71.36 -34.47 2 0 25.14-999 ?-999 ?-999 ? MG MG E 301 mGLY^D 82 91.45 68.48 -34.53 91.10 68.24 -35.43 91.56 66.88 -32.57 92.23 66.09 -31.89 92.26 67.62 -33.70-999.99-999.99-999.99 1 0 26.13-999 ?-999 ?-999 ? MG MG E 301 mSER^D 83 90.26 67.12 -32.33 89.89 67.87 -32.88 89.37 64.86 -31.76 89.26 64.60 -32.96 89.47 66.32 -31.33 88.07 66.90 -31.14 2 0 24.39-999 ?-999 ?-999 ? MG MG E 301 mVAL^D 84 89.44 63.91 -30.85 89.63 64.19 -29.92 88.03 61.88 -30.68 87.80 62.08 -29.53 89.24 62.54 -31.31 90.55 61.69 -31.31 3 0 23.45-999 ?-999 ?-999 ? MG MG E 301 mASN^D 85 87.22 61.17 -31.45 87.44 61.17 -32.43 86.07 58.98 -31.13 86.33 58.56 -32.25 86.11 60.45 -30.86 84.79 61.03 -31.29 2 0 20.93-999 ?-999 ?-999 ? MG MG E 301 mLYS^D 86 85.73 58.21 -30.11 85.60 58.69 -29.24 84.07 56.38 -30.25 83.26 56.99 -29.59 85.54 56.79 -30.27 86.31 56.06 -29.19 2 0 21.02-999 ?-999 ?-999 ? MG MG E 301 mARG^D 87 83.71 55.36 -31.01 84.42 55.07 -31.65 82.65 53.28 -30.81 83.71 52.79 -31.16 82.40 54.74 -30.92 81.57 54.97 -32.16 2 0 18.69-999 ?-999 ?-999 ? MG MG E 301 mTHR^D 88 81.65 52.54 -30.36 80.77 52.98 -30.23 80.73 50.31 -30.44 79.61 50.73 -30.28 81.92 51.17 -30.12 82.50 51.06 -28.68 2 0 20.12-999 ?-999 ?-999 ? MG MG E 301 mGLY^D 89 80.98 49.12 -30.96 81.95 48.92 -31.07 80.40 46.75 -31.41 81.62 46.52 -31.50 79.91 48.18 -31.33-999.99-999.99-999.99 1 0 19.56-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 90 79.48 45.80 -31.36 78.54 46.14 -31.27 79.03 43.65 -32.49 77.81 43.53 -32.37 79.83 44.38 -31.44 79.62 43.67 -30.10 2 0 17.97-999 ?-999 ?-999 ? MG MG D 302 mALA^D 91 79.73 43.13 -33.50 80.70 43.38 -33.47 78.36 41.10 -34.02 78.76 40.45 -33.03 79.15 42.27 -34.55 80.22 41.77 -35.47 2 0 14.70-999 ?-999 ?-999 ? MG MG D 302 mSER^D 92 77.25 40.84 -34.70 77.04 41.49 -35.43 77.16 38.42 -34.67 77.94 38.33 -35.62 76.41 39.72 -34.40 75.18 39.78 -35.28 2 0 15.56-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 93 76.91 37.41 -33.83 76.33 37.64 -33.06 76.57 35.05 -34.83 77.00 33.91 -35.04 77.48 36.07 -34.09 78.06 35.44 -32.81 2 0 15.57-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 94 75.37 35.47 -35.28 75.21 36.45 -35.17 74.95 33.75 -37.04 74.60 32.58 -37.24 74.38 34.53 -35.87 73.13 35.23 -36.39 2 0 16.00-999 ?-999 ?-999 ? MG MG D 302 mASN^D 95 75.83 34.40 -37.80 76.05 35.32 -37.49 77.80 33.16 -38.81 78.56 33.01 -39.78 76.40 33.78 -38.99 76.36 34.77 -40.14 2 0 12.75-999 ?-999 ?-999 ? MG MG D 302 mILE^D 96 78.14 32.81 -37.56 77.55 33.19 -36.85 78.74 30.61 -36.78 78.26 30.48 -35.63 79.28 31.93 -37.31 80.27 32.52 -36.34 3 0 13.54-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 97 78.79 29.62 -37.66 79.39 29.78 -38.45 78.87 27.20 -37.80 79.88 27.28 -38.52 78.03 28.42 -37.47 76.72 28.43 -38.30 3 0 15.91-999 ?-999 ?-999 ? MG MG D 302 mCYH^D 98 78.45 26.09 -37.21 77.70 26.24 -36.57 77.87 23.91 -37.96 76.82 23.82 -37.34 79.00 24.79 -37.47 79.57 24.22 -36.20 2 0 18.20-999 ?-999 ?-999 ? MG MG D 302 mTHR^D 99 78.08 23.23 -39.07 79.03 23.06 -39.33 77.15 21.51 -40.62 78.31 21.13 -40.85 76.92 22.78 -39.80 76.38 24.02 -40.60 2 0 19.30-999 ?-999 ?-999 ? MG MG D 302 mASP^D 100 76.05 20.87 -41.03 75.21 21.36 -40.80 77.00 18.59 -41.07 78.03 18.19 -41.64 76.06 19.57 -41.75 76.41 19.73 -43.25 2 0 21.67-999 ?-999 ?-999 ? MG MG D 302 mILE^D 101 76.66 18.24 -39.84 75.85 18.71 -39.48 76.96 15.89 -39.58 75.79 15.52 -39.47 77.41 17.26 -39.09 77.13 17.36 -37.58 3 0 24.19-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 102 77.90 15.13 -40.13 78.79 15.58 -40.22 78.59 12.81 -39.87 79.80 13.04 -39.83 77.64 13.77 -40.57 77.79 13.64 -42.10 3 0 26.85-999 ?-999 ?-999 ? MG MG D 302 mTRP^D 103 78.04 11.73 -39.31 77.05 11.68 -39.44 78.86 9.43 -39.37 77.83 8.91 -39.80 78.81 10.73 -38.58 78.19 10.46 -37.21 3 0 30.04-999 ?-999 ?-999 ? MG MG D 302 mASN^D 104 80.07 8.90 -39.54 80.83 9.48 -39.24 81.00 6.62 -39.19 81.35 6.99 -38.06 80.23 7.56 -40.13 80.93 7.65 -41.49 2 0 32.43-999 ?-999 ?-999 ? MG MG D 302 mSER^D 105 81.27 5.41 -39.68 80.89 5.25 -40.59 83.38 4.98 -38.40 83.74 4.74 -37.25 82.05 4.42 -38.94 82.29 3.17 -39.82 2 0 35.61-999 ?-999 ?-999 ? MG MG D 302 mGLY^D 106 84.08 5.74 -39.24 83.57 6.05 -40.04 85.73 7.53 -38.55 86.88 7.97 -38.48 85.47 6.09 -38.97-999.99-999.99-999.99 1 0 33.98-999 ?-999 ?-999 ? MG MG D 302 mGLY^D 107 84.66 8.26 -38.25 83.78 7.79 -38.33 83.61 10.49 -38.26 82.51 9.97 -38.46 84.80 9.65 -37.85-999.99-999.99-999.99 1 0 30.89-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 108 83.85 11.79 -38.40 84.82 12.03 -38.41 83.20 13.87 -39.51 84.38 14.21 -39.61 82.79 12.78 -38.53 82.45 13.40 -37.15 3 0 27.72-999 ?-999 ?-999 ? MG MG D 302 mGLN^D 109 82.22 14.41 -40.24 81.34 13.94 -40.16 81.48 16.74 -40.71 80.38 16.52 -40.23 82.43 15.60 -41.07 82.25 15.27 -42.55 2 0 24.26-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 110 81.92 17.97 -40.99 82.85 18.00 -41.35 81.60 20.37 -41.51 82.65 20.32 -42.15 81.07 19.14 -40.76 80.96 19.44 -39.26 3 0 21.14-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 111 80.86 21.47 -41.40 80.06 21.38 -40.81 81.23 23.88 -41.15 80.20 24.22 -40.58 81.21 22.69 -42.10 80.21 22.95 -43.22 2 0 17.37-999 ?-999 ?-999 ? MG MG D 302 mMETD 112 82.39 24.50 -41.00 83.16 24.04 -41.43 82.36 26.95 -41.20 83.14 27.11 -42.13 82.50 25.77 -40.26 83.85 25.86 -39.54 2 0 15.24-999 ?-999 ?-999 ? MG MG D 302 mSER^D 113 81.38 27.82 -40.93 80.87 27.62 -40.09 80.99 30.32 -41.10 79.96 30.62 -40.49 81.10 28.95 -41.82 79.82 28.67 -42.62 2 0 11.97-999 ?-999 ?-999 ? MG MG D 302 mALA^D 114 82.04 31.14 -41.21 82.80 30.78 -41.74 81.69 33.57 -41.60 82.21 33.61 -42.72 82.02 32.47 -40.60 83.33 32.76 -39.91 2 0 9.94-999 ?-999 ?-999 ? MG MG D 302 mSER^D 115 80.78 34.43 -41.18 80.29 34.12 -40.36 80.18 36.77 -40.76 79.23 36.60 -39.97 80.50 35.70 -41.83 79.35 35.55 -42.84 2 0 7.70-999 ?-999 ?-999 ? MG MG D 302 mALA^D 116 80.96 37.85 -40.72 81.70 37.85 -41.39 80.87 40.32 -40.38 81.83 40.60 -41.10 80.74 38.94 -39.77 81.69 38.81 -38.65 2 0 8.83-999 ?-999 ?-999 ? MG MG D 302 mSER^D 117 79.92 41.19 -40.07 79.22 40.85 -39.44 80.77 43.46 -39.75 81.29 43.05 -38.72 79.93 42.54 -40.62 78.51 43.09 -40.71 2 0 9.19-999 ?-999 ?-999 ? MG MG D 302 mASN^D 118 80.89 44.72 -40.17 80.70 44.85 -41.14 80.02 46.55 -38.84 79.33 47.12 -39.69 81.28 45.78 -39.26 82.29 46.70 -39.94 2 0 11.51-999 ?-999 ?-999 ? MG MG D 302 mPRO^D 119 79.71 46.53 -37.54 80.48 46.33 -36.94 78.01 48.27 -36.98 76.88 48.62 -36.67 78.35 46.78 -37.05 78.36 46.19 -35.63 3 0 14.66-999 ?-999 ?-999 ? MG MG D 302 mLEU^D 120 79.01 49.12 -37.27 79.93 48.72 -37.29 78.55 50.77 -39.01 77.77 51.64 -39.42 78.75 50.54 -37.51 79.91 51.38 -37.00 3 0 14.33-999 ?-999 ?-999 ? MG MG E 301 mASN^D 121 79.26 49.99 -39.81 79.96 49.45 -39.34 78.04 48.85 -41.62 78.43 47.74 -42.00 79.05 49.95 -41.26 80.38 49.72 -41.99 2 0 13.07-999 ?-999 ?-999 ? MG MG E 302 mVAL^D 122 76.75 49.14 -41.46 76.55 50.07 -41.16 75.78 47.66 -43.18 75.24 46.61 -43.52 75.72 48.13 -41.73 74.30 48.66 -41.38 3 0 11.59-999 ?-999 ?-999 ? MG MG E 302 mTYR^D 123 76.46 48.43 -44.03 76.97 49.18 -43.61 77.81 47.68 -45.98 77.99 47.41 -47.16 76.44 48.17 -45.47 76.01 49.42 -46.24 3 0 10.96-999 ?-999 ?-999 ? MG MG E 302 mALA^D 124 78.78 47.59 -45.07 78.50 47.80 -44.14 80.27 45.66 -45.50 79.63 44.93 -44.71 80.12 47.19 -45.47 81.16 47.80 -44.53 2 0 9.53-999 ?-999 ?-999 ? MG MG D 302 mPRO^D 125 81.15 45.19 -46.41 81.75 45.88 -46.81 81.79 42.90 -45.65 82.82 43.26 -45.08 81.19 43.77 -46.77 82.10 43.75 -48.02 3 0 5.77-999 ?-999 ?-999 ? MG MG D 302 mPRO^D 126 81.12 41.79 -45.32 80.30 41.65 -45.88 82.92 40.25 -44.50 83.30 40.10 -45.66 81.54 40.87 -44.25 80.48 39.77 -44.31 3 0 -4.89-999 ?-999 ?-999 ? MG MG D 302s mVAL^D 127 83.64 39.88 -43.45 83.37 40.31 -42.59 84.13 37.54 -43.71 83.19 37.24 -43.01 84.75 38.90 -43.58 85.61 38.66 -42.34 3 0 4.55-999 ?-999 ?-999 ? MG MG D 302 mASP^D 128 84.69 36.68 -44.53 85.55 36.97 -44.96 85.09 34.30 -44.81 86.11 34.46 -45.49 84.06 35.40 -44.77 83.33 35.45 -46.13 2 0 -4.72-999 ?-999 ?-999 ? MG MG D 302s mTYR^D 129 84.81 33.19 -44.13 84.17 33.31 -43.37 84.45 30.76 -44.44 83.38 30.92 -43.86 85.45 31.91 -44.51 86.70 31.62 -43.67 3 0 7.90-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 130 84.79 29.63 -45.08 85.56 29.76 -45.71 85.12 27.20 -44.86 85.94 27.08 -45.75 84.11 28.34 -44.88 82.99 28.01 -45.92 3 0 10.93-999 ?-999 ?-999 ? MG MG D 302 mLEU^D 131 85.09 26.38 -43.81 84.43 26.64 -43.11 85.11 23.96 -43.85 84.14 23.80 -43.10 85.95 25.20 -43.74 86.71 25.11 -42.43 3 0 14.42-999 ?-999 ?-999 ? MG MG D 302 mASN^D 132 85.48 23.08 -44.78 86.14 23.44 -45.44 85.95 20.76 -44.19 87.03 20.53 -44.74 84.95 21.73 -44.81 84.64 21.31 -46.24 2 0 17.41-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 133 85.59 20.20 -43.04 84.63 20.34 -42.78 86.09 18.04 -42.00 84.91 17.78 -41.73 86.55 19.46 -42.25 86.90 20.17 -40.93 3 0 20.37-999 ?-999 ?-999 ? MG MG D 302 mCYH^D 134 87.04 17.12 -42.12 87.96 17.47 -42.31 87.71 15.16 -40.91 88.92 15.13 -41.13 86.76 15.73 -41.96 86.96 15.04 -43.30 2 0 24.04-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 135 87.17 14.75 -39.77 86.17 14.76 -39.77 87.85 12.80 -38.42 86.78 12.30 -38.08 87.97 14.31 -38.63 87.54 15.02 -37.35 3 0 26.56-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 136 88.95 12.09 -38.63 89.76 12.63 -38.86 89.01 10.23 -37.06 89.46 11.03 -36.22 88.96 10.62 -38.53 90.17 10.04 -39.26 2 0 30.17-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 137 88.58 9.01 -36.74 88.33 8.44 -37.52 89.84 8.47 -34.62 89.90 8.21 -33.41 88.48 8.58 -35.33 87.70 7.26 -35.20 2 0 33.10-999 ?-999 ?-999 ? MG MG D 302 mASP^D 138 90.92 8.70 -35.36 90.71 9.04 -36.28 93.07 9.78 -34.77 94.26 9.76 -34.48 92.27 8.48 -34.87 93.00 7.50 -35.79 2 0 34.11-999 ?-999 ?-999 ? MG MG D 302 mGLY^D 139 92.41 10.91 -35.03 91.49 10.78 -35.40 93.64 12.84 -36.01 94.33 13.85 -35.90 93.01 12.21 -34.78-999.99-999.99-999.99 1 0 31.09-999 ?-999 ?-999 ? MG MG D 302 mSER^D 140 93.40 12.25 -37.18 92.95 11.36 -37.09 92.64 13.77 -38.87 91.48 13.52 -38.51 93.76 12.87 -38.46 93.92 11.83 -39.56 2 0 29.37-999 ?-999 ?-999 ? MG MG D 302 mILE^D 141 92.98 14.81 -39.62 93.96 14.90 -39.78 92.27 15.96 -41.62 93.42 15.94 -42.06 91.99 15.71 -40.15 91.93 17.04 -39.34 3 0 25.72-999 ?-999 ?-999 ? MG MG D 302 mASP^D 142 91.21 16.16 -42.40 90.33 15.96 -41.97 90.48 17.87 -43.93 89.25 17.76 -43.95 91.35 16.64 -43.76 90.90 15.58 -44.76 2 0 23.74-999 ?-999 ?-999 ? MG MG D 301 mVAL^D 143 91.12 19.03 -44.08 92.12 18.94 -44.12 90.49 20.93 -45.56 91.49 20.77 -46.28 90.42 20.32 -44.16 90.98 21.32 -43.15 3 0 19.99-999 ?-999 ?-999 ? MG MG D 302 mGLN^D 144 89.42 21.62 -45.95 88.64 21.57 -45.34 88.69 23.69 -47.07 87.46 23.74 -46.94 89.43 22.38 -47.19 88.89 21.54 -48.32 2 0 17.01-999 ?-999 ?-999 ? MG MG D 301 mGLY^D 145 89.45 24.77 -47.13 90.42 24.61 -47.35 88.96 27.09 -48.00 89.75 27.01 -48.92 88.90 26.07 -46.90-999.99-999.99-999.99 1 0 13.51-999 ?-999 ?-999 ? MG MG D 301 mGLU^D 146 88.09 28.07 -47.87 87.37 27.91 -47.20 88.10 30.44 -47.68 87.51 30.34 -46.60 88.17 29.27 -48.64 86.99 29.34 -49.56 2 0 9.86-999 ?-999 ?-999 ? MG MG D 301 mHIS^D 147 88.68 31.57 -48.07 89.17 31.52 -48.94 88.80 33.99 -48.07 89.38 33.90 -49.17 88.56 32.76 -47.25 89.52 32.72 -46.05 3 0 7.39-999 ?-999 ?-999 ? MG MG D 301 mASP^D 148 88.36 35.13 -47.54 87.84 35.03 -46.70 90.12 36.73 -48.00 90.75 36.29 -47.04 88.64 36.40 -48.17 87.78 37.50 -47.56 2 0 4.36-999 ?-999 ?-999 ? MG MG D 301s mGLY^D 149 90.67 37.48 -48.94 90.04 37.75 -49.67 92.56 38.77 -47.74 93.78 38.95 -47.61 92.07 37.87 -48.88-999.99-999.99-999.99 1 0 6.12-999 ?-999 ?-999 ? MG MG D 301 mPHE^D 150 91.65 39.31 -46.92 90.71 39.01 -47.11 91.09 39.93 -44.69 89.97 39.53 -44.94 92.01 40.25 -45.86 91.74 41.66 -46.36 3 0 7.87-999 ?-999 ?-999 ? MG MG D 301 mPRO^D 151 91.54 40.08 -43.41 90.78 39.95 -42.77 93.61 39.07 -42.74 93.93 38.44 -43.75 92.84 40.36 -42.85 92.50 40.85 -41.45 3 0 10.49-999 ?-999 ?-999 ? MG MG D 302 mCYH^D 152 93.90 38.64 -41.53 93.54 39.20 -40.78 93.82 36.31 -40.91 92.84 36.53 -40.18 94.69 37.43 -41.36 95.77 37.67 -40.32 2 0 12.81-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 153 94.18 35.11 -41.32 95.00 35.07 -41.90 94.36 32.96 -40.33 95.45 32.73 -40.87 93.42 33.97 -40.92 92.68 33.41 -42.13 3 0 12.86-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 154 93.98 32.37 -39.21 93.14 32.74 -38.80 93.88 30.10 -38.24 92.77 30.28 -37.74 94.77 31.27 -38.65 95.65 31.75 -37.49 2 0 16.25-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 155 94.35 28.89 -38.47 95.27 28.86 -38.87 94.46 26.73 -37.47 95.50 26.40 -38.02 93.57 27.73 -38.15 92.99 27.12 -39.43 3 0 17.74-999 ?-999 ?-999 ? MG MG D 302 mTYR^D 156 94.08 26.25 -36.29 93.23 26.64 -35.92 94.08 24.00 -35.26 92.84 24.09 -35.14 94.89 25.22 -35.64 95.53 25.80 -34.41 3 0 21.44-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 157 94.77 22.86 -35.06 95.70 22.87 -35.43 94.83 21.39 -33.01 96.01 21.70 -32.79 94.17 21.71 -34.34 94.11 20.44 -35.20 2 0 24.21-999 ?-999 ?-999 ? MG MG D 302 mGLN^D 158 94.06 20.77 -32.12 93.12 20.61 -32.41 94.06 18.99 -30.41 92.88 18.86 -30.03 94.59 20.35 -30.84 94.28 21.39 -29.80 2 0 27.41-999 ?-999 ?-999 ? MG MG D 302 mVAL^D 159 94.91 17.97 -30.45 95.85 18.17 -30.72 94.61 16.28 -28.60 95.74 16.35 -28.09 94.39 16.65 -30.09 94.81 15.54 -31.13 3 0 30.39-999 ?-999 ?-999 ? MG MG D 302 mASP^D 160 93.52 15.94 -27.92 92.67 16.10 -28.43 94.34 16.26 -25.60 95.24 15.76 -24.93 93.55 15.40 -26.57 94.15 13.98 -26.57 2 0 30.41-999 ?-999 ?-999 ? MG MG C 302 mPHE^D 161 94.01 17.55 -25.53 93.25 17.79 -26.12 96.22 18.63 -24.90 96.94 19.10 -24.03 94.71 18.51 -24.65 94.42 18.22 -23.18 3 0 28.65-999 ?-999 ?-999 ? MG MG C 302 mGLY^D 162 96.69 18.22 -26.08 95.97 17.93 -26.72 98.57 19.58 -26.89 97.85 20.55 -26.70 98.12 18.21 -26.42-999.99-999.99-999.99 1 0 32.15-999 ?-999 ?-999 ? MG MG C 302 mPRO^D 163 99.78 19.68 -27.47 100.36 18.87 -27.43 99.22 21.32 -29.27 98.56 20.47 -29.84 100.14 20.96 -28.11 101.55 20.69 -28.65 3 0 31.32-999 ?-999 ?-999 ? MG MG D 302 mPHE^D 164 99.18 22.60 -29.58 99.67 23.18 -28.93 99.33 22.85 -32.02 100.54 22.88 -31.96 98.50 23.10 -30.76 98.33 24.60 -30.60 3 0 27.56-999 ?-999 ?-999 ? MG MG D 302 mGLU^D 165 98.68 22.59 -33.15 97.69 22.56 -33.06 98.82 23.23 -35.53 97.60 23.20 -35.75 99.41 22.38 -34.40 99.39 20.91 -34.78 2 0 26.41-999 ?-999 ?-999 ? MG MG D 302 mLYS^D 166 99.67 23.98 -36.23 100.63 23.88 -35.95 98.58 24.04 -38.43 99.17 23.07 -38.92 99.23 24.85 -37.31 100.41 25.67 -37.86 2 0 23.37-999 ?-999 ?-999 ? MG MG D 302 mILE^D 167 97.37 24.41 -38.83 96.91 25.07 -38.24 97.14 24.74 -41.24 97.71 24.28 -42.22 96.78 23.86 -40.05 95.26 23.73 -39.94 3 0 21.20-999 ?-999 ?-999 ? MG MG D 301 mTYR^D 168 96.79 26.02 -41.14 96.43 26.28 -40.24 96.84 28.37 -41.71 96.02 28.66 -40.82 96.93 26.95 -42.24 95.84 26.73 -43.29 3 0 18.07-999 ?-999 ?-999 ? MG MG D 301 mTHR^D 169 97.68 29.26 -42.25 98.34 28.86 -42.88 97.62 31.49 -43.22 98.25 31.10 -44.20 97.62 30.68 -41.94 98.81 31.11 -41.07 2 0 16.55-999 ?-999 ?-999 ? MG MG D 301 mHIS^D 170 96.89 32.61 -43.23 96.30 32.72 -42.43 97.37 34.95 -43.80 96.70 35.51 -42.92 96.96 33.58 -44.32 95.62 33.70 -45.04 3 0 13.54-999 ?-999 ?-999 ? MG MG D 301 mASP^D 171 98.46 35.49 -44.35 98.90 34.93 -45.05 98.83 37.81 -45.07 99.64 37.82 -45.99 98.94 36.81 -43.94 100.39 36.69 -43.49 2 0 14.55-999 ?-999 ?-999 ? MG MG D 301 mPHE^D 172 97.84 38.70 -44.97 97.38 38.68 -44.08 98.57 40.59 -46.50 98.60 41.03 -47.65 97.48 39.60 -46.06 96.17 40.35 -45.76 3 0 12.19-999 ?-999 ?-999 ? MG MG D 301 mARG^D 173 99.46 40.95 -45.60 99.33 40.61 -44.67 101.63 41.03 -46.75 102.30 41.60 -47.58 100.55 41.81 -46.01 101.11 42.64 -44.85 2 0 15.34-999 ?-999 ?-999 ? MG MG D 301 mGLU^D 174 101.77 39.74 -46.47 101.21 39.43 -45.70 102.22 38.73 -48.69 103.02 38.76 -49.63 102.68 38.88 -47.24 102.87 37.49 -46.58 2 0 16.69-999 ?-999 ?-999 ? MG MG D 301 mTHR^D 175 100.91 38.58 -48.86 100.37 38.73 -48.03 99.77 39.48 -50.82 98.89 39.37 -51.67 100.33 38.24 -50.15 99.18 37.21 -50.00 2 0 13.90-999 ?-999 ?-999 ? MG MG D 301 mGLY^D 176 100.28 40.65 -50.41 100.89 40.55 -49.63 98.51 42.26 -51.27 98.09 42.49 -52.41 99.98 41.95 -51.04-999.99-999.99-999.99 1 0 13.91-999 ?-999 ?-999 ? MG MG D 301 mASP^D 177 97.74 42.28 -50.19 98.24 42.27 -49.33 95.68 43.48 -49.49 96.33 44.09 -48.64 96.29 42.33 -50.28 95.74 41.01 -49.76 2 0 10.53-999 ?-999 ?-999 ? MG MG D 301 mTHR^D 178 94.40 43.75 -49.75 93.94 43.05 -50.29 92.41 44.72 -48.63 91.81 43.67 -48.83 93.76 44.98 -49.28 93.59 45.96 -50.46 2 0 9.86-999 ?-999 ?-999 ? MG MG D 301 mALA^D 179 91.92 45.69 -47.86 92.54 46.45 -47.71 89.51 45.45 -48.38 88.38 45.06 -48.10 90.58 45.61 -47.30 90.29 46.82 -46.46 2 0 8.98-999 ?-999 ?-999 ? MG MG D 301 mALA^D 180 89.86 45.74 -49.62 90.78 46.13 -49.72 88.61 44.02 -50.84 87.51 43.66 -51.25 88.96 45.51 -50.74 89.59 46.01 -52.03 2 0 7.32-999 ?-999 ?-999 ? MG MG D 301 mALA^D 181 89.56 43.17 -50.45 90.38 43.60 -50.08 88.24 41.27 -49.68 87.72 40.18 -49.88 89.39 41.74 -50.56 90.67 41.02 -50.20 2 0 -4.31-999 ?-999 ?-999 ? MG MG D 301s mLEU^D 182 87.84 42.11 -48.72 88.43 42.90 -48.60 85.37 41.63 -48.80 84.60 40.70 -48.53 86.62 41.86 -47.93 86.38 43.00 -46.95 3 0 -4.13-999 ?-999 ?-999 ? MG MG D 302s mGLY^D 183 85.18 42.44 -49.84 85.88 43.16 -49.92 84.22 41.18 -51.80 85.20 40.43 -51.77 84.07 42.30 -50.78-999.99-999.99-999.99 1 0 -4.40-999 ?-999 ?-999 ? MG MG D 301s mGLY^D 184 83.24 41.03 -52.69 82.46 41.65 -52.57 83.16 38.63 -53.26 82.36 38.42 -52.37 83.33 40.04 -53.77-999.99-999.99-999.99 1 0 4.28-999 ?-999 ?-999 ? MG MG D 301 mASN^D 185 83.90 37.69 -53.83 84.47 38.02 -54.57 85.07 35.95 -52.53 85.95 36.80 -52.35 83.86 36.29 -53.39 83.84 35.36 -54.61 2 0 -4.13-999 ?-999 ?-999 ? MG MG D 301s mMETD 186 85.14 34.72 -52.02 84.35 34.14 -52.22 87.51 34.05 -52.11 87.56 33.11 -52.87 86.29 34.30 -51.23 85.97 33.07 -50.41 2 0 4.34-999 ?-999 ?-999 ? MG MG D 301 mASP^D 187 88.50 34.92 -51.98 88.44 35.48 -51.15 90.51 33.84 -52.94 90.99 33.41 -53.98 89.57 35.05 -52.96 90.40 36.34 -52.69 2 0 -5.05-999 ?-999 ?-999 ? MG MG D 301s mTYR^D 188 90.79 33.32 -51.75 90.22 33.67 -51.00 91.25 30.97 -51.24 90.08 30.89 -50.86 91.85 32.33 -51.57 92.82 32.76 -50.46 3 0 8.30-999 ?-999 ?-999 ? MG MG D 301 mSER^D 189 92.06 29.91 -51.38 92.95 30.11 -51.79 92.78 27.66 -50.58 93.92 27.90 -50.95 91.62 28.58 -50.95 90.75 27.92 -52.02 2 0 11.31-999 ?-999 ?-999 ? MG MG D 301 mPHE^D 190 92.47 26.61 -49.83 91.50 26.53 -49.61 92.88 24.31 -48.99 91.71 24.20 -48.67 93.48 25.65 -49.39 94.29 26.23 -48.22 3 0 14.87-999 ?-999 ?-999 ? MG MG D 301 mTHR^D 191 93.72 23.28 -49.05 94.59 23.49 -49.49 94.57 21.52 -47.68 95.73 21.86 -47.99 93.38 21.98 -48.52 93.11 20.94 -49.67 2 0 18.24-999 ?-999 ?-999 ? MG MG D 301 mLYS^D 192 94.28 20.76 -46.62 93.31 20.55 -46.47 94.95 19.01 -45.05 93.82 18.89 -44.56 95.35 20.28 -45.75 95.72 21.34 -44.71 2 0 21.11-999 ?-999 ?-999 ? MG MG D 301 mARG^D 193 95.87 18.06 -45.00 96.66 18.21 -45.60 96.85 16.83 -43.12 98.01 17.03 -43.47 95.71 16.90 -44.13 95.62 15.61 -44.96 2 0 24.67-999 ?-999 ?-999 ? MG MG D 301 mLEU^D 194 96.51 16.56 -41.87 95.57 16.24 -41.76 97.24 15.67 -39.66 96.16 15.59 -39.07 97.46 16.72 -40.76 97.36 18.14 -40.17 3 0 26.66-999 ?-999 ?-999 ? MG MG D 301 mMETE 1 36.96 68.26 -65.63 36.45 67.40 -65.68 39.21 69.42 -65.89 39.74 70.11 -66.79 37.71 69.56 -65.55 37.50 70.33 -64.21 2 0 36.17-999 ?-999 ?-999 ? MG MG F 301 mTHR^E 2 39.88 68.54 -65.18 39.30 68.00 -64.56 41.55 66.93 -65.67 40.91 66.05 -65.09 41.32 68.37 -65.29 41.93 68.68 -63.93 2 0 34.24-999 ?-999 ?-999 ? MG MG F 301 mASN^E 3 42.42 66.69 -66.64 42.95 67.49 -66.95 43.81 64.62 -66.77 43.78 63.44 -66.46 42.56 65.34 -67.17 42.47 65.36 -68.69 2 0 30.87-999 ?-999 ?-999 ? MG MG F 301 mILE^E 4 44.92 65.33 -66.82 44.78 66.31 -66.96 46.94 65.48 -65.60 47.01 66.70 -65.65 46.23 64.72 -66.67 47.03 64.89 -67.98 3 0 29.77-999 ?-999 ?-999 ? MG MG F 301 mILE^E 5 47.47 64.80 -64.61 47.30 63.82 -64.60 49.49 64.74 -63.27 49.42 63.57 -62.91 48.23 65.54 -63.63 47.35 66.12 -62.41 3 0 28.28-999 ?-999 ?-999 ? MG MG E 302 mLYS^E 6 50.65 65.36 -63.47 50.54 66.32 -63.72 52.73 65.19 -62.12 52.81 66.39 -61.85 51.95 64.70 -63.33 52.81 64.96 -64.55 2 0 25.19-999 ?-999 ?-999 ? MG MG E 302 mILE^E 7 53.33 64.26 -61.40 53.14 63.33 -61.69 55.53 64.07 -60.69 55.65 62.92 -61.14 54.18 64.61 -60.27 53.75 63.88 -58.98 3 0 21.71-999 ?-999 ?-999 ? MG MG E 302 mARG^E 8 56.55 64.91 -60.56 56.32 65.80 -60.17 58.81 64.73 -59.79 58.69 65.76 -59.11 57.88 64.54 -60.97 58.36 65.39 -62.13 2 0 19.85-999 ?-999 ?-999 ? MG MG E 302 mALA^E 9 59.71 63.75 -59.59 59.61 62.99 -60.23 62.11 63.47 -59.14 62.27 62.62 -60.03 60.74 63.76 -58.54 60.44 62.76 -57.48 2 0 16.25-999 ?-999 ?-999 ? MG MG E 302 mSER^E 10 63.12 64.16 -58.64 62.86 64.77 -57.89 65.43 64.07 -57.92 65.27 64.92 -57.02 64.47 64.04 -59.12 64.75 65.18 -60.10 2 0 15.35-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 11 66.40 63.16 -57.86 66.35 62.45 -58.57 68.76 63.46 -57.54 69.15 62.67 -58.43 67.43 63.21 -56.83 67.49 61.90 -56.01 3 0 12.44-999 ?-999 ?-999 ? MG MG E 302 mPHE^E 12 69.46 64.56 -57.19 69.07 65.09 -56.43 71.81 65.52 -57.12 71.58 66.14 -56.08 70.70 64.89 -57.92 70.43 65.78 -59.12 3 0 14.36-999 ?-999 ?-999 ? MG MG E 302 mILE^E 13 73.03 65.36 -57.62 73.07 64.76 -58.42 74.57 67.16 -57.93 74.87 66.95 -59.08 74.21 65.99 -57.04 75.39 65.02 -56.97 3 0 15.29-999 ?-999 ?-999 ? MG MG E 302 mPRO^E 14 74.55 68.40 -57.40 74.41 68.44 -56.41 76.07 69.71 -58.85 76.19 70.31 -59.91 74.71 69.58 -58.23 74.48 70.74 -57.27 3 0 18.69-999 ?-999 ?-999 ? MG MG E 301 mMETE 15 77.08 69.15 -58.20 76.82 68.59 -57.42 78.98 68.29 -59.55 78.38 67.24 -59.68 78.44 69.39 -58.64 79.36 69.67 -57.45 2 0 20.29-999 ?-999 ?-999 ? MG MG E 302 mSER^E 16 80.12 68.55 -60.19 80.57 69.40 -59.90 81.14 66.35 -60.64 81.00 65.30 -61.26 80.65 67.65 -61.22 81.78 68.30 -61.99 2 0 21.97-999 ?-999 ?-999 ? MG MG E 302 mTRP^E 17 81.73 66.44 -59.46 81.78 67.37 -59.09 81.93 65.39 -57.33 81.93 66.49 -56.79 82.26 65.27 -58.78 83.78 65.21 -58.91 3 0 20.23-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 18 81.64 64.26 -56.71 81.56 63.46 -57.29 82.79 64.61 -54.63 83.81 64.75 -55.33 81.45 64.25 -55.27 80.95 62.88 -54.77 2 0 17.27-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 19 82.80 64.79 -53.32 81.94 64.61 -52.85 84.93 64.06 -52.47 84.50 62.97 -52.11 83.99 65.23 -52.64 83.60 65.83 -51.30 2 0 18.23-999 ?-999 ?-999 ? MG MG E 301 mALA^E 20 86.21 64.27 -52.74 86.45 65.22 -52.92 87.30 62.46 -51.40 87.32 63.09 -50.36 87.16 63.17 -52.75 88.49 63.70 -53.16 2 0 20.46-999 ?-999 ?-999 ? MG MG E 301 mLYS^E 21 87.40 61.13 -51.42 87.13 60.71 -52.29 89.23 59.77 -50.56 89.46 59.28 -51.67 87.88 60.38 -50.25 86.96 59.23 -49.84 2 0 19.80-999 ?-999 ?-999 ? MG MG E 301 mMETE 22 90.12 59.78 -49.57 89.83 60.23 -48.72 91.59 57.98 -48.84 91.03 57.93 -47.78 91.41 59.18 -49.75 92.49 60.21 -49.56 2 0 21.18-999 ?-999 ?-999 ? MG MG D 301 mASP^E 23 92.36 57.01 -49.29 92.79 57.20 -50.17 94.05 55.58 -48.35 94.76 55.44 -49.30 92.57 55.78 -48.55 91.98 54.64 -49.37 2 0 18.39-999 ?-999 ?-999 ? MG MG D 301 mMETE 24 94.52 55.53 -47.13 93.83 55.53 -46.40 96.59 54.16 -47.19 97.79 54.05 -47.29 95.97 55.50 -46.92 96.39 56.00 -45.54 2 0 19.82-999 ?-999 ?-999 ? MG MG D 301 mGLU^E 25 95.74 53.15 -47.32 94.78 53.40 -47.24 96.74 51.68 -48.97 97.75 51.05 -49.18 96.19 51.80 -47.56 95.03 50.84 -47.38 2 0 16.76-999 ?-999 ?-999 ? MG MG D 301 mTHR^E 26 96.07 52.33 -49.91 95.32 52.89 -49.55 96.90 53.54 -51.96 97.42 53.50 -53.06 96.37 52.25 -51.33 95.11 51.86 -52.10 2 0 16.83-999 ?-999 ?-999 ? MG MG D 301 mGLY^E 27 96.72 54.67 -51.29 96.31 54.52 -50.39 96.08 56.59 -52.78 96.35 57.63 -53.36 97.08 55.99 -51.80-999.99-999.99-999.99 1 0 20.34-999 ?-999 ?-999 ? MG MG D 301 mGLN^E 28 94.95 55.93 -52.98 94.82 55.14 -52.39 93.05 57.46 -53.56 92.57 57.48 -52.44 93.99 56.36 -53.99 93.12 55.20 -54.38 2 0 19.44-999 ?-999 ?-999 ? MG MG D 301 mVAL^E 29 92.76 58.38 -54.46 93.23 58.27 -55.34 90.66 59.08 -55.02 90.80 58.83 -56.19 91.84 59.45 -54.17 92.43 60.81 -54.59 3 0 21.69-999 ?-999 ?-999 ? MG MG D 301 mILE^E 30 89.47 58.99 -54.45 89.43 59.26 -53.49 87.08 59.37 -55.14 86.64 59.69 -54.04 88.36 58.51 -55.28 88.17 56.94 -55.22 3 0 20.37-999 ?-999 ?-999 ? MG MG D 301 mGLN^E 31 86.50 59.70 -56.29 86.94 59.30 -57.09 84.32 59.87 -57.23 84.63 58.89 -57.90 85.34 60.56 -56.37 85.73 61.90 -56.99 2 0 19.59-999 ?-999 ?-999 ? MG MG E 302 mPHE^E 32 83.10 60.39 -57.21 82.98 61.12 -56.54 81.45 61.03 -58.91 81.43 62.17 -58.44 82.04 59.90 -58.10 80.94 59.27 -57.28 3 0 17.79-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 33 80.96 60.73 -60.10 81.00 59.76 -60.35 79.04 62.28 -60.44 78.15 61.49 -60.14 80.40 61.78 -60.95 80.31 61.36 -62.42 2 0 19.14-999 ?-999 ?-999 ? MG MG E 302 mGLY^E 34 78.91 63.60 -60.36 79.77 64.11 -60.46 76.96 64.64 -61.45 77.39 64.25 -62.53 77.63 64.22 -60.15-999.99-999.99-999.99 1 0 17.96-999 ?-999 ?-999 ? MG MG E 302 mASP^E 35 75.92 65.45 -61.34 75.80 65.84 -60.42 75.31 67.11 -63.06 74.71 67.49 -64.06 75.04 65.74 -62.46 73.60 65.64 -62.00 2 0 19.45-999 ?-999 ?-999 ? MG MG E 302 mSER^E 36 76.23 67.85 -62.45 76.62 67.41 -61.64 75.43 69.97 -63.43 75.42 70.44 -64.56 76.63 69.18 -62.93 77.69 69.09 -64.03 2 0 22.24-999 ?-999 ?-999 ? MG MG E 302 mARG^E 37 74.42 70.12 -62.57 74.51 69.61 -61.71 72.77 71.67 -61.66 73.06 71.25 -60.54 73.29 70.98 -62.90 72.16 70.16 -63.53 2 0 22.43-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 38 72.01 72.74 -61.85 72.02 73.11 -62.78 69.82 72.71 -60.74 69.57 71.66 -61.35 71.22 73.31 -60.76 71.17 74.83 -60.88 2 0 22.22-999 ?-999 ?-999 ? MG MG E 301 mPHE^E 39 68.90 73.37 -60.04 69.24 74.18 -59.57 66.80 73.21 -61.29 66.89 74.31 -61.82 67.52 72.90 -59.98 66.78 73.52 -58.79 3 0 21.35-999 ?-999 ?-999 ? MG MG E 301 mTHR^E 40 66.11 72.21 -61.83 66.22 71.33 -61.37 64.34 71.22 -63.22 64.75 70.07 -63.05 65.26 72.42 -63.00 66.07 72.69 -64.29 2 0 23.36-999 ?-999 ?-999 ? MG MG E 302 mPRO^E 41 63.09 71.50 -63.57 62.89 72.47 -63.70 62.26 69.72 -65.08 61.50 68.79 -65.36 62.12 70.42 -63.73 60.78 71.16 -63.66 3 0 23.25-999 ?-999 ?-999 ? MG MG E 302 mHIS^E 42 63.23 70.16 -65.88 63.91 70.74 -65.43 64.38 68.80 -67.64 64.99 68.86 -68.70 63.29 69.82 -67.31 63.54 71.07 -68.13 3 0 25.35-999 ?-999 ?-999 ? MG MG E 302 mALA^E 43 64.60 67.86 -66.74 63.88 67.76 -66.06 65.50 65.57 -67.03 66.37 64.71 -66.88 65.81 67.05 -66.75 66.56 67.21 -65.43 2 0 23.01-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 44 64.28 65.29 -67.46 63.68 66.09 -67.54 64.73 63.34 -68.88 65.04 64.03 -69.86 63.87 63.92 -67.77 62.41 63.85 -68.26 3 0 22.95-999 ?-999 ?-999 ? MG MG E 302 mASN^E 45 65.12 62.08 -68.72 64.88 61.68 -67.83 67.19 61.94 -70.08 67.84 61.55 -71.03 65.82 61.35 -69.78 64.97 61.33 -71.05 2 0 23.78-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 46 67.61 62.87 -69.24 67.03 62.98 -68.43 70.01 62.99 -68.82 71.14 63.44 -69.00 68.80 63.64 -69.48 68.60 65.06 -68.96 2 0 23.92-999 ?-999 ?-999 ? MG MG E 302 mMETE 47 69.77 61.94 -68.05 68.81 61.66 -68.05 71.54 62.19 -66.32 72.67 61.91 -65.92 70.80 61.26 -67.27 71.76 60.52 -68.19 2 0 21.21-999 ?-999 ?-999 ? MG MG E 302 mARG^E 48 70.89 63.30 -65.97 70.02 63.44 -66.44 70.69 64.08 -63.65 70.44 65.08 -62.99 71.43 64.21 -64.97 71.36 65.66 -65.45 2 0 20.10-999 ?-999 ?-999 ? MG MG E 302 mSER^E 49 70.34 62.85 -63.28 70.45 62.17 -63.99 70.32 61.17 -61.49 70.49 60.28 -62.32 69.86 62.56 -61.93 68.32 62.64 -61.86 2 0 16.51-999 ?-999 ?-999 ? MG MG E 302 mARG^E 50 70.51 60.99 -60.18 70.47 61.83 -59.64 69.47 58.88 -59.63 69.44 57.73 -60.09 70.76 59.68 -59.61 71.27 59.81 -58.17 2 0 13.45-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 51 68.39 59.49 -59.16 68.57 60.40 -58.77 66.11 59.89 -59.84 66.17 61.10 -59.57 67.08 58.90 -59.21 66.64 58.56 -57.79 3 0 12.85-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 52 65.24 59.39 -60.71 65.43 58.44 -60.99 62.86 59.34 -61.30 62.89 58.15 -61.61 64.12 60.16 -61.21 64.45 60.87 -62.51 2 0 15.71-999 ?-999 ?-999 ? MG MG E 302 mGLN^E 53 61.75 59.98 -60.97 61.88 60.94 -60.73 59.39 60.27 -61.46 59.38 61.43 -61.06 60.47 59.31 -60.99 60.15 58.85 -59.60 2 0 16.80-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 54 58.49 59.80 -62.33 58.74 58.91 -62.72 56.04 59.65 -62.54 55.99 58.55 -63.11 57.27 60.54 -62.66 57.37 61.10 -64.06 2 0 20.15-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 55 55.04 60.11 -61.79 55.25 60.95 -61.28 52.80 60.34 -62.45 52.85 61.54 -62.25 53.75 59.42 -61.74 53.27 59.17 -60.30 3 0 21.51-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 56 51.97 59.77 -63.33 52.12 58.79 -63.45 49.60 60.01 -63.71 49.29 58.86 -64.02 50.96 60.53 -64.03 51.10 60.36 -65.49 3 0 25.25-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 57 48.76 60.83 -63.10 49.12 61.72 -62.82 46.55 60.91 -63.98 46.63 62.07 -64.34 47.41 60.37 -62.88 46.85 60.54 -61.45 3 0 27.16-999 ?-999 ?-999 ? MG MG E 302 mASP^E 58 45.78 60.00 -64.56 45.79 59.11 -64.11 43.55 60.08 -65.43 43.04 58.95 -65.30 45.00 60.28 -65.74 45.39 59.31 -66.83 2 0 29.39-999 ?-999 ?-999 ? MG MG F 301 mPHE^E 59 42.85 61.20 -65.29 43.34 62.03 -65.57 40.52 60.85 -65.88 39.34 60.70 -65.61 41.50 61.19 -64.78 41.14 62.53 -64.17 3 0 31.80-999 ?-999 ?-999 ? MG MG F 301 mTYR^E 60 41.00 60.74 -67.10 41.99 60.81 -67.18 39.96 59.04 -68.50 38.87 58.58 -68.86 40.11 60.53 -68.22 40.65 61.27 -69.44 3 0 29.35-999 ?-999 ?-999 ? MG MG F 301 mLYS^E 61 41.04 58.29 -68.35 41.87 58.80 -68.15 40.88 56.20 -67.10 40.67 54.99 -66.96 40.99 56.84 -68.48 42.26 56.32 -69.18 2 0 27.83-999 ?-999 ?-999 ? MG MG F 301 mGLN^E 62 41.02 57.03 -66.06 40.97 58.00 -66.32 42.37 55.57 -64.57 42.15 54.39 -64.28 41.24 56.58 -64.67 39.96 56.00 -64.08 2 0 31.00-999 ?-999 ?-999 ? MG MG F 301 mGLU^E 63 43.59 56.04 -64.81 43.62 57.00 -65.10 45.90 56.02 -64.10 46.03 57.22 -64.34 44.76 55.21 -64.68 45.17 54.62 -66.01 2 0 29.46-999 ?-999 ?-999 ? MG MG F 301 mVAL^E 64 46.74 55.35 -63.31 46.44 54.44 -63.07 49.15 55.24 -63.53 49.31 54.03 -63.37 47.99 55.95 -62.87 48.16 55.82 -61.36 3 0 26.33-999 ?-999 ?-999 ? MG MG E 302 mPHE^E 65 49.97 55.98 -64.27 49.69 56.94 -64.34 52.41 55.88 -64.17 52.39 56.90 -63.51 51.15 55.42 -64.91 51.20 55.88 -66.35 3 0 25.32-999 ?-999 ?-999 ? MG MG E 302 mSER^E 66 53.51 55.17 -64.28 53.43 54.35 -64.85 55.97 55.28 -64.31 56.00 54.28 -64.94 54.72 55.62 -63.56 54.86 54.87 -62.26 2 0 21.91-999 ?-999 ?-999 ? MG MG E 302 mTYR^E 67 57.00 56.10 -64.18 56.85 56.85 -63.53 59.26 56.13 -63.87 59.15 57.04 -63.07 58.22 55.94 -64.91 58.33 57.04 -65.97 3 0 20.98-999 ?-999 ?-999 ? MG MG E 302 mALA^E 68 60.30 55.30 -63.92 60.28 54.69 -64.71 62.72 55.16 -63.56 62.89 54.37 -64.48 61.36 55.26 -62.92 61.18 54.08 -62.02 2 0 17.76-999 ?-999 ?-999 ? MG MG E 302 mASN^E 69 63.71 55.89 -63.08 63.46 56.57 -62.40 66.13 56.04 -62.65 65.93 56.88 -61.79 65.04 55.66 -63.58 65.28 56.38 -64.89 2 0 17.19-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 70 67.27 55.40 -62.81 67.24 54.66 -63.47 69.42 56.32 -63.09 69.29 56.06 -64.29 68.45 55.77 -62.07 69.10 54.53 -61.45 2 0 15.25-999 ?-999 ?-999 ? MG MG E 302 mGLY^E 71 70.42 57.05 -62.62 70.39 57.24 -61.64 72.57 56.50 -63.60 72.50 55.45 -62.96 71.48 57.52 -63.50-999.99-999.99-999.99 1 0 16.95-999 ?-999 ?-999 ? MG MG E 302 mILE^E 72 73.58 56.78 -64.42 73.43 57.58 -65.01 75.71 56.41 -63.27 75.86 57.59 -63.01 74.81 55.99 -64.44 75.59 56.17 -65.76 3 0 18.60-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 73 76.26 55.46 -62.53 75.90 54.54 -62.70 78.67 55.63 -62.23 78.96 54.64 -62.93 77.31 55.78 -61.57 77.24 54.91 -60.29 2 0 17.00-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 74 79.51 56.63 -62.01 79.12 57.39 -61.49 81.88 56.98 -61.43 81.86 58.13 -60.96 80.89 56.59 -62.50 81.10 57.56 -63.62 2 0 19.77-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 75 82.75 56.04 -61.05 82.60 55.14 -61.46 85.12 56.66 -60.85 85.48 55.92 -61.76 83.83 56.36 -60.10 84.05 55.26 -59.05 2 0 20.00-999 ?-999 ?-999 ? MG MG D 301 mLYS^E 76 85.75 57.77 -60.48 85.22 58.36 -59.87 88.07 57.75 -59.80 87.97 58.27 -58.68 87.09 58.11 -60.91 87.16 59.58 -61.22 2 0 21.76-999 ?-999 ?-999 ? MG MG D 301 mVAL^E 77 89.00 56.85 -60.06 88.93 56.41 -60.96 91.40 57.07 -59.52 91.95 56.63 -60.54 90.04 56.55 -59.07 90.12 55.04 -58.78 3 0 19.87-999 ?-999 ?-999 ? MG MG D 301 mILE^E 78 91.95 58.03 -58.79 91.39 58.36 -58.03 94.33 57.74 -58.34 94.38 57.79 -57.14 93.29 58.51 -59.12 93.45 59.98 -58.81 3 0 22.44-999 ?-999 ?-999 ? MG MG D 301 mSER^E 79 95.19 57.03 -59.04 95.06 57.08 -60.03 97.39 57.08 -57.89 97.63 58.17 -58.37 96.22 56.25 -58.39 96.73 55.21 -59.35 2 0 21.37-999 ?-999 ?-999 ? MG MG D 301 mPRO^E 80 98.15 56.53 -56.94 97.93 55.59 -56.67 100.17 57.80 -57.39 100.94 58.71 -57.10 99.23 57.27 -56.35 99.94 56.21 -55.50 3 0 23.15-999 ?-999 ?-999 ? MG MG D 301 mASP^E 81 100.12 57.24 -58.58 99.37 56.59 -58.73 100.52 58.49 -60.64 101.17 58.75 -61.64 101.10 57.57 -59.59 101.61 56.30 -60.24 2 0 25.35-999 ?-999 ?-999 ? MG MG D 301 mGLY^E 82 99.31 58.98 -60.47 98.84 58.67 -59.64 97.66 59.30 -62.31 96.66 59.96 -62.57 98.75 59.89 -61.45-999.99-999.99-999.99 1 0 26.59-999 ?-999 ?-999 ? MG MG D 301 mSER^E 83 97.81 58.05 -62.73 98.62 57.59 -62.36 95.47 57.37 -63.11 95.27 57.15 -61.93 96.88 57.42 -63.66 97.33 56.01 -63.97 2 0 24.81-999 ?-999 ?-999 ? MG MG D 301 mVAL^E 84 94.49 57.60 -63.97 94.79 57.78 -64.91 92.37 56.35 -64.13 92.68 55.90 -65.21 93.10 57.56 -63.54 92.37 58.90 -63.83 3 0 23.53-999 ?-999 ?-999 ? MG MG D 301 mASN^E 85 91.42 55.81 -63.38 91.35 56.22 -62.46 89.11 55.03 -63.59 88.75 55.49 -62.51 90.58 54.72 -63.86 90.97 53.37 -63.23 2 0 20.87-999 ?-999 ?-999 ? MG MG D 301 mLYS^E 86 88.29 54.75 -64.59 88.74 54.48 -65.44 86.17 53.47 -64.50 86.60 52.61 -65.23 86.84 54.85 -64.43 86.29 55.86 -65.43 2 0 20.92-999 ?-999 ?-999 ? MG MG D 301 mARG^E 87 85.20 53.24 -63.62 85.17 53.91 -62.87 82.86 52.75 -63.81 82.61 53.85 -63.28 84.26 52.13 -63.73 84.31 51.22 -62.51 2 0 18.53-999 ?-999 ?-999 ? MG MG D 301 mTHR^E 88 81.94 52.06 -64.47 82.27 51.23 -64.91 79.63 51.36 -64.18 79.86 50.24 -64.63 80.56 52.52 -64.50 80.17 53.10 -65.88 2 0 20.10-999 ?-999 ?-999 ? MG MG D 301 mGLY^E 89 78.59 51.64 -63.41 78.62 52.53 -62.97 76.24 51.50 -63.26 76.29 52.73 -63.24 77.50 50.68 -63.25-999.99-999.99-999.99 1 0 19.25-999 ?-999 ?-999 ? MG MG D 301 mLYS^E 90 75.10 50.82 -63.25 75.22 49.83 -63.30 72.96 50.85 -62.12 72.60 49.67 -62.23 73.81 51.50 -63.18 73.10 51.42 -64.53 2 0 17.67-999 ?-999 ?-999 ? MG MG E 302 mALA^E 91 72.63 51.63 -61.09 73.06 52.54 -61.15 70.45 50.53 -60.46 69.91 50.86 -61.48 71.73 51.22 -59.99 71.40 52.44 -59.12 2 0 14.28-999 ?-999 ?-999 ? MG MG E 302 mSER^E 92 69.94 49.56 -59.74 70.47 49.31 -58.93 67.49 49.86 -59.90 67.51 50.63 -58.97 68.69 48.93 -60.16 68.48 47.60 -59.46 2 0 15.08-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 93 66.45 49.78 -60.72 66.54 49.15 -61.49 64.16 49.81 -59.77 63.01 50.28 -59.70 65.27 50.61 -60.45 64.65 51.21 -61.71 2 0 15.07-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 94 64.46 48.60 -59.28 65.44 48.38 -59.30 62.68 48.31 -57.56 61.50 47.98 -57.32 63.43 47.71 -58.77 64.01 46.30 -58.49 2 0 15.50-999 ?-999 ?-999 ? MG MG E 302 mASN^E 95 63.34 49.20 -56.83 64.26 49.41 -57.17 62.37 51.28 -55.79 62.41 52.06 -54.81 62.77 49.82 -55.63 63.77 49.77 -54.50 2 0 12.35-999 ?-999 ?-999 ? MG MG E 302 mILE^E 96 62.04 51.67 -57.01 62.21 51.02 -57.75 60.13 52.68 -57.76 60.00 52.23 -58.89 61.49 52.97 -57.22 62.24 53.74 -58.25 3 0 13.09-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 97 59.11 52.88 -56.95 59.32 53.42 -56.13 56.67 53.30 -56.92 56.88 54.29 -56.20 57.80 52.34 -57.29 57.52 51.01 -56.55 3 0 15.65-999 ?-999 ?-999 ? MG MG E 302 mCYH^E 98 55.48 52.96 -57.37 55.45 52.13 -57.92 53.30 52.75 -56.63 52.94 51.90 -57.41 54.33 53.74 -57.08 53.89 54.43 -58.36 2 0 17.92-999 ?-999 ?-999 ? MG MG E 302 mTHR^E 99 52.81 52.86 -55.40 53.05 53.70 -54.93 50.82 52.37 -54.07 50.76 53.58 -53.87 51.98 51.80 -54.83 52.78 50.99 -53.81 2 0 19.14-999 ?-999 ?-999 ? MG MG E 302 mASP^E 100 49.94 51.49 -53.60 50.12 50.56 -53.90 47.85 52.80 -53.37 47.34 53.69 -52.69 48.82 51.88 -52.72 49.30 52.58 -51.44 2 0 21.28-999 ?-999 ?-999 ? MG MG E 302 mILE^E 101 47.61 52.63 -54.67 48.16 51.91 -55.09 45.21 53.23 -54.78 44.71 52.11 -54.74 46.62 53.43 -55.39 46.53 53.02 -56.88 3 0 23.97-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 102 44.60 54.29 -54.30 45.17 55.11 -54.26 42.41 55.32 -54.58 42.77 56.48 -54.51 43.20 54.24 -53.87 43.04 54.47 -52.35 3 0 26.67-999 ?-999 ?-999 ? MG MG E 302 mTRP^E 103 41.33 54.94 -55.25 41.11 53.97 -55.14 39.25 56.10 -55.35 38.77 55.22 -54.66 40.54 55.87 -56.07 40.18 55.24 -57.41 3 0 29.79-999 ?-999 ?-999 ? MG MG E 302 mASN^E 104 38.69 57.29 -55.50 39.34 57.96 -55.85 36.77 58.66 -56.14 37.49 59.09 -57.06 37.28 57.59 -55.19 37.10 58.10 -53.77 2 0 32.71-999 ?-999 ?-999 ? MG MG E 302 mSER^E 105 35.55 59.15 -55.88 35.12 58.75 -55.08 35.76 61.44 -56.74 35.90 62.07 -57.78 34.93 60.18 -56.74 33.53 60.51 -56.24 2 0 35.60-999 ?-999 ?-999 ? MG MG E 302 mGLY^E 106 36.31 61.78 -55.56 36.12 61.11 -54.84 38.38 63.10 -56.12 38.74 64.21 -56.52 37.10 62.99 -55.32-999.99-999.99-999.99 1 0 33.62-999 ?-999 ?-999 ? MG MG E 302 mGLY^E 107 39.06 61.97 -56.38 38.54 61.14 -56.19 41.10 60.66 -56.52 40.42 59.63 -56.47 40.44 61.97 -56.89-999.99-999.99-999.99 1 0 30.74-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 108 42.41 60.67 -56.26 42.82 61.59 -56.23 44.32 59.65 -55.10 44.88 60.74 -55.10 43.16 59.43 -56.03 43.69 58.83 -57.36 3 0 27.52-999 ?-999 ?-999 ? MG MG E 302 mGLN^E 109 44.68 58.65 -54.29 44.06 57.87 -54.27 46.77 57.59 -53.87 46.27 56.51 -54.13 45.92 58.74 -53.50 45.69 58.61 -52.02 2 0 24.06-999 ?-999 ?-999 ? MG MG E 302 mPHE^E 110 48.07 57.80 -53.80 48.32 58.76 -53.66 50.29 57.09 -53.17 50.46 58.22 -52.70 49.04 56.74 -53.93 49.35 56.55 -55.41 3 0 21.07-999 ?-999 ?-999 ? MG MG E 302 mLYS^E 111 51.20 56.14 -53.04 50.93 55.25 -53.38 53.63 56.24 -53.44 53.62 55.25 -54.17 52.49 56.44 -52.43 52.67 55.57 -51.21 2 0 17.31-999 ?-999 ?-999 ? MG MG E 302 mMETE 112 54.56 57.18 -53.51 54.34 58.00 -52.98 57.01 56.84 -53.37 57.27 57.67 -52.49 55.80 57.05 -54.29 56.08 58.33 -55.04 2 0 15.08-999 ?-999 ?-999 ? MG MG E 302 mSER^E 113 57.75 55.75 -53.56 57.39 55.14 -54.27 60.07 55.22 -53.78 59.84 54.64 -54.85 58.97 55.48 -52.80 58.83 54.24 -51.96 2 0 11.56-999 ?-999 ?-999 ? MG MG E 302 mALA^E 114 61.25 55.69 -53.41 61.23 56.24 -52.58 63.47 55.06 -53.07 63.51 55.59 -51.94 62.47 55.47 -54.12 62.92 56.71 -54.76 2 0 9.71-999 ?-999 ?-999 ? MG MG E 302 mSER^E 115 64.27 54.09 -53.47 63.98 53.66 -54.33 66.43 53.22 -53.86 66.05 52.48 -54.76 65.46 53.67 -52.76 65.09 52.53 -51.81 2 0 7.22-999 ?-999 ?-999 ? MG MG E 302 mALA^E 116 67.65 53.71 -53.82 67.82 54.37 -53.10 70.06 53.17 -54.23 70.56 54.10 -53.59 68.64 53.26 -54.80 68.60 54.11 -56.01 2 0 8.42-999 ?-999 ?-999 ? MG MG E 302 mSER^E 117 70.70 52.03 -54.47 70.19 51.37 -55.03 73.02 52.39 -54.90 72.69 52.72 -56.04 72.02 51.78 -53.96 72.26 50.29 -53.85 2 0 8.85-999 ?-999 ?-999 ? MG MG E 302 mASN^E 118 74.25 52.54 -54.43 74.31 52.55 -53.43 75.89 51.32 -55.77 76.26 50.47 -54.94 75.39 52.69 -55.31 76.50 53.47 -54.63 2 0 11.19-999 ?-999 ?-999 ? MG MG E 302 mPRO^E 119 75.96 51.12 -57.08 75.69 51.90 -57.65 77.94 49.66 -57.48 78.45 48.54 -57.63 76.42 49.84 -57.61 75.98 49.89 -59.08 3 0 14.52-999 ?-999 ?-999 ? MG MG E 302 mLEU^E 120 78.66 50.74 -57.19 78.12 51.55 -56.97 80.72 51.09 -55.84 81.88 50.78 -55.54 80.13 50.71 -57.19 80.68 51.63 -58.28 3 0 14.89-999 ?-999 ?-999 ? MG MG D 301 mASN^E 121 79.93 51.77 -55.02 79.08 52.07 -55.45 79.38 51.31 -52.60 78.23 51.72 -52.40 80.30 52.04 -53.61 80.31 53.55 -53.29 2 0 13.86-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 122 79.90 50.24 -51.98 80.89 50.13 -52.08 78.88 49.87 -49.82 77.94 49.52 -49.12 79.05 49.32 -51.23 79.63 47.88 -51.16 3 0 12.00-999 ?-999 ?-999 ? MG MG D 302 mTYR^E 123 79.81 50.74 -49.42 80.55 50.89 -50.07 78.77 52.60 -48.13 78.77 53.44 -47.22 79.74 51.39 -48.11 81.13 51.82 -47.65 3 0 11.86-999 ?-999 ?-999 ? MG MG E 302 mALA^E 124 77.93 52.66 -49.17 78.09 51.97 -49.88 75.53 53.01 -49.12 75.09 52.30 -50.03 76.88 53.67 -49.23 76.97 54.46 -50.55 2 0 8.69-999 ?-999 ?-999 ? MG MG E 302 mPRO^E 125 74.84 53.28 -48.01 75.39 53.70 -47.28 72.66 53.65 -49.02 73.16 54.60 -49.62 73.42 52.99 -47.88 73.04 53.65 -46.55 3 0 5.54-999 ?-999 ?-999 ? MG MG E 302 mPRO^E 126 71.45 53.16 -49.32 71.18 52.38 -48.76 70.15 55.19 -50.11 69.94 55.54 -48.94 70.61 53.75 -50.39 69.38 52.82 -50.40 3 0 -4.54-999 ?-999 ?-999 ? MG MG E 302s mVAL^E 127 69.97 56.02 -51.16 70.41 55.72 -52.01 67.72 56.90 -50.92 67.27 56.00 -51.64 69.17 57.27 -51.00 69.12 58.22 -52.20 3 0 4.39-999 ?-999 ?-999 ? MG MG E 302 mASP^E 128 66.97 57.65 -50.13 67.44 58.43 -49.71 64.69 58.54 -49.95 65.05 59.58 -49.40 65.57 57.32 -49.91 65.38 56.57 -48.58 2 0 -4.71-999 ?-999 ?-999 ? MG MG E 302s mTYR^E 129 63.54 58.42 -50.61 63.51 57.65 -51.26 61.12 58.57 -50.40 61.03 57.50 -50.96 62.43 59.34 -50.38 62.42 60.51 -51.37 3 0 8.09-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 130 60.10 59.10 -49.74 60.32 59.93 -49.23 57.74 59.57 -49.70 57.74 60.35 -48.75 58.77 58.48 -49.78 58.57 57.34 -48.70 3 0 10.81-999 ?-999 ?-999 ? MG MG E 302 mLEU^E 131 56.90 59.66 -50.72 57.04 58.97 -51.43 54.50 60.13 -50.71 54.14 59.24 -51.45 55.88 60.70 -50.79 55.95 61.46 -52.09 3 0 14.37-999 ?-999 ?-999 ? MG MG E 302 mASN^E 132 53.70 60.67 -49.81 54.16 61.27 -49.16 51.49 61.48 -50.49 51.36 62.57 -49.95 52.28 60.37 -49.81 51.80 60.19 -48.38 2 0 17.41-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 133 50.98 61.20 -51.68 51.05 60.24 -51.96 48.91 62.03 -52.67 48.47 60.92 -52.99 50.39 62.25 -52.48 51.09 62.40 -53.85 3 0 20.32-999 ?-999 ?-999 ? MG MG E 302 mCYH^E 134 48.15 63.08 -52.45 48.63 63.86 -52.03 46.48 63.99 -54.01 46.86 65.15 -54.01 46.74 63.09 -52.79 45.94 63.58 -51.60 2 0 24.00-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 135 45.85 63.45 -55.05 45.64 62.47 -54.95 44.02 64.41 -56.39 43.28 63.43 -56.51 45.52 64.24 -56.24 46.08 63.63 -57.53 3 0 26.49-999 ?-999 ?-999 ? MG MG E 302 mLYS^E 136 43.55 65.66 -56.38 44.25 66.37 -56.27 41.74 66.19 -57.97 42.55 66.67 -58.76 42.12 65.93 -56.52 41.72 67.14 -55.68 2 0 30.14-999 ?-999 ?-999 ? MG MG E 302 mLYS^E 137 40.50 65.87 -58.31 39.95 65.50 -57.56 40.12 67.47 -60.18 40.34 67.66 -61.35 40.01 66.05 -59.66 38.60 65.54 -59.76 2 0 33.15-999 ?-999 ?-999 ? MG MG E 302 mASP^E 138 40.00 68.46 -59.32 39.79 68.17 -58.38 41.64 70.20 -59.98 41.93 71.34 -60.35 40.16 69.84 -59.71 39.58 70.77 -58.63 2 0 34.38-999 ?-999 ?-999 ? MG MG E 302 mGLY^E 139 42.57 69.27 -59.76 42.23 68.41 -59.38 44.84 69.78 -58.85 46.06 69.68 -58.94 43.96 69.53 -60.06-999.99-999.99-999.99 1 0 31.29-999 ?-999 ?-999 ? MG MG E 302 mSER^E 140 44.27 70.11 -57.71 43.27 70.13 -57.72 45.65 69.13 -55.96 45.06 68.05 -56.15 45.10 70.42 -56.56 44.33 71.22 -55.53 2 0 29.47-999 ?-999 ?-999 ? MG MG E 302 mILE^E 141 46.78 69.25 -55.26 47.15 70.18 -55.18 47.79 68.34 -53.24 47.79 69.46 -52.78 47.40 68.09 -54.66 48.64 67.62 -55.42 3 0 25.87-999 ?-999 ?-999 ? MG MG E 302 mASP^E 142 48.14 67.29 -52.53 48.16 66.43 -53.05 49.49 66.26 -50.92 49.21 65.09 -51.20 48.47 67.38 -51.15 47.19 67.15 -50.37 2 0 23.58-999 ?-999 ?-999 ? MG MG E 301 mVAL^E 143 50.66 66.65 -50.42 50.66 67.59 -50.08 52.47 65.79 -48.99 52.78 66.84 -48.44 51.84 65.79 -50.38 52.87 66.30 -51.40 3 0 19.83-999 ?-999 ?-999 ? MG MG E 301 mGLN^E 144 52.65 64.61 -48.40 52.19 63.85 -48.84 54.69 63.70 -47.63 54.58 62.57 -48.10 53.46 64.47 -47.21 52.77 63.68 -46.12 2 0 17.04-999 ?-999 ?-999 ? MG MG E 301 mGLY^E 145 55.86 64.29 -47.44 55.83 65.17 -46.96 58.04 63.46 -46.80 57.92 64.11 -45.74 57.08 63.68 -47.92-999.99-999.99-999.99 1 0 13.69-999 ?-999 ?-999 ? MG MG E 301 mGLU^E 146 58.95 62.51 -47.04 58.77 62.01 -47.88 61.25 62.04 -47.13 61.02 61.56 -48.24 60.10 62.22 -46.18 59.90 60.90 -45.45 2 0 10.00-999 ?-999 ?-999 ? MG MG E 301 mHIS^E 147 62.47 62.41 -46.73 62.48 62.91 -45.87 64.97 62.09 -46.71 65.02 62.70 -45.64 63.67 62.07 -47.52 63.79 62.98 -48.74 3 0 7.45-999 ?-999 ?-999 ? MG MG E 301 mASP^E 148 66.00 61.39 -47.22 65.76 60.81 -47.99 67.88 62.91 -46.85 67.34 63.66 -47.66 67.36 61.47 -46.66 68.29 60.44 -47.29 2 0 4.27-999 ?-999 ?-999 ? MG MG E 301s mGLY^E 149 68.89 63.31 -46.08 69.31 62.58 -45.54 70.31 65.03 -47.14 70.90 66.12 -47.15 69.31 64.70 -46.05-999.99-999.99-999.99 1 0 5.75-999 ?-999 ?-999 ? MG MG E 301 mPHE^E 150 70.51 64.10 -48.06 69.91 63.30 -47.98 71.27 63.21 -50.19 70.84 62.08 -49.93 71.52 64.24 -49.09 72.92 64.04 -48.50 3 0 7.68-999 ?-999 ?-999 ? MG MG E 301 mPRO^E 151 71.52 63.60 -51.44 71.37 62.87 -52.11 70.77 65.86 -52.01 70.08 66.17 -51.04 71.97 64.93 -51.82 72.69 64.70 -53.14 3 0 10.34-999 ?-999 ?-999 ? MG MG E 301 mCYH^E 152 70.53 66.30 -53.25 71.13 65.90 -53.95 68.18 66.63 -53.97 68.18 65.60 -54.65 69.49 67.27 -53.54 69.95 68.22 -54.63 2 0 12.73-999 ?-999 ?-999 ? MG MG E 301 mPHE^E 153 67.07 67.25 -53.59 67.22 68.09 -53.07 64.87 67.79 -54.50 64.76 68.88 -53.94 65.76 66.72 -53.91 65.13 66.13 -52.67 3 0 13.21-999 ?-999 ?-999 ? MG MG E 301 mGLU^E 154 64.23 67.50 -55.64 64.48 66.62 -56.05 61.98 67.68 -56.59 62.03 66.60 -57.20 63.26 68.41 -56.21 63.83 69.15 -57.43 2 0 16.57-999 ?-999 ?-999 ? MG MG E 302 mPHE^E 155 60.84 68.25 -56.22 60.94 69.07 -55.66 58.71 68.77 -57.33 58.62 69.89 -56.87 59.56 67.71 -56.63 58.81 67.12 -55.43 3 0 17.91-999 ?-999 ?-999 ? MG MG E 302 mTYR^E 156 58.07 68.39 -58.43 58.21 67.43 -58.69 55.93 68.68 -59.63 55.84 67.46 -59.80 57.24 69.30 -59.17 57.97 69.72 -60.42 3 0 21.57-999 ?-999 ?-999 ? MG MG E 302 mLYS^E 157 54.96 69.54 -59.90 55.22 70.49 -59.72 53.36 69.86 -61.75 53.78 71.01 -61.95 53.63 69.16 -60.42 52.57 69.55 -59.40 2 0 24.31-999 ?-999 ?-999 ? MG MG E 302 mGLN^E 158 52.63 69.17 -62.63 52.34 68.28 -62.31 50.90 69.22 -64.35 50.64 68.03 -64.36 52.30 69.68 -63.94 53.29 69.12 -64.92 2 0 27.49-999 ?-999 ?-999 ? MG MG E 302 mVAL^E 159 49.97 70.13 -64.65 50.25 71.08 -64.58 48.26 69.97 -66.48 48.59 71.04 -66.99 48.63 69.65 -65.05 47.44 70.04 -64.07 3 0 30.48-999 ?-999 ?-999 ? MG MG E 302 mASP^E 160 47.60 69.01 -67.12 47.47 68.17 -66.60 48.15 69.84 -69.40 47.85 70.81 -70.12 47.11 69.19 -68.47 45.81 70.00 -68.45 2 0 30.29-999 ?-999 ?-999 ? MG MG F 301 mPHE^E 161 49.38 69.29 -69.37 49.44 68.54 -68.71 50.92 71.16 -69.93 51.64 71.74 -70.71 50.53 69.70 -70.17 50.32 69.39 -71.67 3 0 28.59-999 ?-999 ?-999 ? MG MG F 301 mGLY^E 162 50.45 71.75 -68.82 49.88 71.15 -68.25 52.21 73.39 -68.12 53.06 72.50 -68.29 50.76 73.15 -68.51-999.99-999.99-999.99 1 0 32.03-999 ?-999 ?-999 ? MG MG F 301 mPRO^E 163 52.53 74.58 -67.57 51.81 75.27 -67.55 54.15 73.92 -65.79 53.20 73.46 -65.18 53.90 74.76 -67.04 53.94 76.25 -66.70 3 0 31.40-999 ?-999 ?-999 ? MG MG E 302 mPHE^E 164 55.40 73.70 -65.41 56.08 74.04 -66.05 55.53 73.96 -62.94 55.61 75.18 -63.08 55.72 73.03 -64.14 57.17 72.61 -64.15 3 0 27.64-999 ?-999 ?-999 ? MG MG E 302 mGLU^E 165 55.29 73.38 -61.75 55.14 72.40 -61.81 56.05 73.39 -59.43 56.00 72.17 -59.35 55.25 74.13 -60.48 53.82 74.33 -60.00 2 0 26.50-999 ?-999 ?-999 ? MG MG E 302 mLYS^E 166 56.81 74.14 -58.63 56.74 75.12 -58.80 56.77 73.12 -56.45 55.85 73.84 -56.04 57.66 73.57 -57.60 58.67 74.61 -57.14 2 0 23.10-999 ?-999 ?-999 ? MG MG E 301 mILE^E 167 57.00 71.91 -55.95 57.71 71.38 -56.43 57.17 71.66 -53.62 56.77 72.31 -52.64 56.27 71.42 -54.81 55.94 69.92 -54.93 3 0 21.00-999 ?-999 ?-999 ? MG MG E 301 mTYR^E 168 58.40 71.15 -53.71 58.59 70.69 -54.58 60.77 71.00 -53.19 60.96 70.24 -54.14 59.37 71.24 -52.65 59.02 70.21 -51.60 3 0 17.90-999 ?-999 ?-999 ? MG MG E 301 mTHR^E 169 61.77 71.65 -52.60 61.48 72.37 -51.96 64.03 71.29 -51.65 63.78 71.99 -50.65 63.17 71.31 -52.89 63.81 72.24 -53.91 2 0 16.30-999 ?-999 ?-999 ? MG MG E 301 mHIS^E 170 65.05 70.44 -51.71 65.08 69.90 -52.55 67.41 70.42 -51.27 67.80 69.66 -52.19 66.03 70.31 -50.65 65.88 69.00 -49.89 3 0 13.35-999 ?-999 ?-999 ? MG MG E 301 mASP^E 171 68.13 71.42 -50.77 67.64 71.99 -50.11 70.38 71.37 -49.95 70.48 72.17 -49.03 69.48 71.66 -51.15 69.61 73.12 -51.56 2 0 14.34-999 ?-999 ?-999 ? MG MG E 301 mPHE^E 172 71.04 70.22 -49.97 70.95 69.69 -50.81 72.94 70.81 -48.48 73.42 70.86 -47.34 71.85 69.82 -48.82 72.47 68.43 -49.01 3 0 11.83-999 ?-999 ?-999 ? MG MG E 301 mARG^E 173 73.33 71.62 -49.45 72.91 71.50 -50.35 73.83 73.91 -48.51 74.61 74.63 -47.92 74.35 72.60 -49.11 75.42 72.78 -50.21 2 0 15.06-999 ?-999 ?-999 ? MG MG E 301 mGLU^E 174 72.55 74.22 -48.62 72.03 73.70 -49.29 71.89 74.75 -46.32 72.01 75.49 -45.38 72.01 75.27 -47.75 70.60 75.75 -48.19 2 0 16.47-999 ?-999 ?-999 ? MG MG E 301 mTHR^E 175 71.65 73.45 -46.17 71.79 72.90 -46.99 72.32 72.24 -44.14 72.15 71.78 -43.01 71.20 72.92 -44.89 70.01 71.93 -45.06 2 0 13.51-999 ?-999 ?-999 ? MG MG E 301 mGLY^E 176 73.47 72.16 -44.79 73.42 72.47 -45.74 74.65 70.21 -43.84 75.15 69.80 -42.82 74.69 71.68 -44.17-999.99-999.99-999.99 1 0 13.22-999 ?-999 ?-999 ? MG MG E 301 mASP^E 177 74.05 69.41 -44.71 73.56 69.88 -45.45 75.28 67.40 -45.36 75.94 68.11 -46.13 74.11 67.97 -44.56 72.81 67.32 -45.03 2 0 9.69-999 ?-999 ?-999 ? MG MG E 301 mTHR^E 178 75.51 66.10 -45.18 74.85 65.65 -44.59 76.22 64.03 -46.28 75.10 63.58 -46.00 76.63 65.42 -45.81 77.84 65.30 -44.83 2 0 9.63-999 ?-999 ?-999 ? MG MG E 301 mALA^E 179 77.12 63.33 -46.99 77.99 63.80 -47.12 76.49 60.95 -46.44 76.08 59.83 -46.75 76.81 62.00 -47.52 77.96 61.52 -48.40 2 0 8.89-999 ?-999 ?-999 ? MG MG E 301 mALA^E 180 76.69 61.32 -45.19 77.08 62.23 -45.08 74.83 60.35 -43.93 74.31 59.34 -43.44 76.35 60.44 -44.08 76.96 60.95 -42.80 2 0 7.10-999 ?-999 ?-999 ? MG MG E 301 mALA^E 181 74.14 61.41 -44.35 74.69 62.10 -44.81 71.96 60.52 -45.00 70.77 60.26 -44.81 72.69 61.53 -44.13 72.20 62.95 -44.39 2 0 -3.93-999 ?-999 ?-999 ? MG MG E 301s mLEU^E 182 72.70 59.94 -45.94 73.61 60.34 -46.05 71.83 57.65 -45.87 70.98 56.87 -46.27 72.24 58.82 -46.73 73.35 58.39 -47.69 3 0 -4.43-999 ?-999 ?-999 ? MG MG E 302s mGLY^E 183 72.43 57.53 -44.69 72.96 58.34 -44.42 71.23 56.46 -42.85 70.60 57.51 -42.75 72.33 56.33 -43.87-999.99-999.99-999.99 1 0 -4.49-999 ?-999 ?-999 ? MG MG E 301s mGLY^E 184 71.00 55.38 -42.10 71.61 54.61 -42.26 68.54 55.78 -41.65 68.08 55.27 -42.66 69.91 55.36 -41.13-999.99-999.99-999.99 1 0 4.85-999 ?-999 ?-999 ? MG MG E 301 mASN^E 185 67.90 56.73 -40.98 68.42 57.15 -40.24 66.36 58.35 -42.19 67.32 59.11 -42.33 66.53 57.10 -41.33 65.70 57.16 -40.06 2 0 -4.28-999 ?-999 ?-999 ? MG MG E 301s mMETE 186 65.18 58.55 -42.80 64.50 57.83 -42.66 64.84 60.94 -42.67 63.81 61.12 -42.02 64.96 59.75 -43.61 63.72 59.58 -44.48 2 0 4.39-999 ?-999 ?-999 ? MG MG E 301 mASP^E 187 65.90 61.73 -42.59 66.60 61.51 -43.27 65.08 63.96 -41.81 64.68 64.59 -40.85 66.08 62.81 -41.62 67.50 63.43 -41.69 2 0 -4.87-999 ?-999 ?-999 ? MG MG E 301s mTYR^E 188 64.72 64.26 -43.04 65.09 63.65 -43.74 62.42 65.00 -43.68 62.19 63.96 -44.28 63.83 65.41 -43.31 64.37 66.28 -44.45 3 0 7.98-999 ?-999 ?-999 ? MG MG E 301 mSER^E 189 61.45 65.83 -43.34 61.71 66.58 -42.73 59.42 66.94 -44.16 59.83 67.97 -43.67 60.13 65.61 -43.87 59.32 64.70 -42.95 2 0 10.99-999 ?-999 ?-999 ? MG MG E 301 mPHE^E 190 58.38 66.89 -44.99 58.13 65.98 -45.30 56.29 67.80 -45.81 55.95 66.68 -46.16 57.69 68.10 -45.38 58.42 68.74 -46.55 3 0 14.54-999 ?-999 ?-999 ? MG MG E 301 mTHR^E 191 55.51 68.86 -45.86 55.98 69.73 -45.69 53.64 69.93 -47.04 54.00 71.08 -46.82 54.11 68.77 -46.13 53.35 68.66 -44.81 2 0 17.98-999 ?-999 ?-999 ? MG MG E 301 mLYS^E 192 52.89 69.60 -48.10 52.53 68.67 -48.10 51.29 70.44 -49.81 50.91 69.35 -50.23 52.64 70.58 -49.14 53.71 70.48 -50.20 2 0 20.79-999 ?-999 ?-999 ? MG MG E 301 mARG^E 193 50.59 71.57 -49.94 51.02 72.36 -49.49 49.47 72.67 -51.75 49.76 73.80 -51.46 49.33 71.65 -50.66 48.22 72.06 -49.70 2 0 24.46-999 ?-999 ?-999 ? MG MG E 301 mLEU^E 194 49.31 72.30 -53.02 49.16 71.32 -53.17 48.59 73.15 -55.40 47.92 72.15 -55.62 49.37 73.34 -54.07 50.82 73.83 -54.29 3 0 26.49-999 ?-999 ?-999 ? MG MG E 301 mMETF 1 79.76 77.64 -73.03 80.22 77.93 -72.19 77.97 76.22 -73.95 77.79 75.90 -72.77 79.07 77.21 -74.29 80.07 76.61 -75.31 2 0 36.20-999 ?-999 ?-999 ? MG MG E 302 mTHR^F 2 77.25 75.71 -74.96 77.57 75.98 -75.87 76.39 73.34 -74.45 77.16 72.74 -75.18 76.07 74.83 -74.70 74.94 74.97 -75.77 2 0 34.42-999 ?-999 ?-999 ? MG MG E 302 mASN^F 3 75.73 72.76 -73.44 74.98 73.33 -73.09 75.09 70.29 -73.12 75.49 69.13 -73.27 76.05 71.44 -72.89 76.18 71.56 -71.39 2 0 31.15-999 ?-999 ?-999 ? MG MG E 302 mILE^F 4 73.80 70.61 -73.08 73.61 71.57 -72.89 71.80 70.06 -74.35 71.27 71.15 -74.28 72.79 69.60 -73.30 72.14 69.20 -71.98 3 0 30.04-999 ?-999 ?-999 ? MG MG E 302 mILE^F 5 71.60 69.24 -75.37 72.25 68.49 -75.48 69.72 68.13 -76.42 70.32 67.08 -76.64 70.48 69.46 -76.24 70.87 70.15 -77.59 3 0 28.46-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 6 68.40 68.19 -76.29 68.06 69.11 -76.08 66.63 67.12 -77.68 66.13 68.18 -78.02 67.53 67.03 -76.43 66.72 66.89 -75.16 2 0 25.31-999 ?-999 ?-999 ? MG MG F 301 mILE^F 7 66.44 66.00 -78.36 67.00 65.22 -78.06 64.31 65.06 -79.04 64.53 63.92 -78.62 65.48 65.93 -79.46 66.12 65.31 -80.72 3 0 21.77-999 ?-999 ?-999 ? MG MG F 301 mARG^F 8 63.08 65.57 -79.14 63.04 66.51 -79.47 61.10 64.39 -80.00 60.91 65.22 -80.91 61.89 64.77 -78.79 60.98 65.50 -77.81 2 0 19.90-999 ?-999 ?-999 ? MG MG F 301 mALA^F 9 60.63 63.14 -80.01 60.92 62.60 -79.22 58.51 62.00 -80.56 58.53 61.27 -79.54 59.78 62.63 -81.12 60.54 61.63 -82.00 2 0 16.20-999 ?-999 ?-999 ? MG MG F 301 mSER^F 10 57.39 62.28 -81.21 57.48 62.79 -82.07 55.13 61.58 -81.74 54.88 62.44 -82.60 56.13 61.85 -80.66 55.59 62.90 -79.73 2 0 15.26-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 11 54.54 60.39 -81.68 54.87 59.80 -80.95 52.22 59.79 -81.85 52.24 59.08 -80.84 53.49 60.00 -82.63 53.87 58.71 -83.38 3 0 12.56-999 ?-999 ?-999 ? MG MG F 301 mPHE^F 12 51.12 60.40 -82.31 51.23 60.88 -83.18 48.58 60.49 -82.40 48.57 61.10 -83.46 49.86 60.34 -81.57 49.90 61.36 -80.45 3 0 14.37-999 ?-999 ?-999 ? MG MG F 301 mILE^F 13 47.51 59.89 -81.91 47.68 59.35 -81.08 45.45 61.06 -81.70 45.20 60.84 -80.51 46.21 60.02 -82.53 45.40 58.67 -82.52 3 0 15.17-999 ?-999 ?-999 ? MG MG F 301 mPRO^F 14 45.11 62.19 -82.30 45.25 62.22 -83.29 43.17 63.05 -80.95 42.79 63.69 -79.99 44.56 63.27 -81.50 44.60 64.47 -82.44 3 0 18.24-999 ?-999 ?-999 ? MG MG F 302 mMETF 15 42.41 62.14 -81.55 42.87 61.72 -82.33 41.02 60.87 -79.89 42.01 60.23 -79.56 41.03 61.79 -81.10 40.27 61.05 -82.22 2 0 19.88-999 ?-999 ?-999 ? MG MG F 302 mSER^F 16 39.88 60.77 -79.22 39.14 61.38 -79.52 39.74 58.40 -78.65 40.29 57.51 -78.03 39.77 59.81 -78.14 38.56 60.06 -77.31 2 0 21.95-999 ?-999 ?-999 ? MG MG F 301 mTRP^F 17 39.09 58.22 -79.80 38.72 59.06 -80.20 39.19 57.07 -81.92 38.82 58.10 -82.52 38.93 56.92 -80.43 37.52 56.41 -80.16 3 0 20.29-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 18 39.84 56.06 -82.50 40.23 55.39 -81.88 38.55 55.96 -84.60 37.55 55.58 -83.94 39.95 55.99 -83.96 40.77 54.77 -84.44 2 0 17.36-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 19 38.47 56.38 -85.86 39.31 56.71 -86.27 36.69 54.87 -86.74 37.47 53.97 -87.09 37.17 56.32 -86.53 37.18 57.18 -87.79 2 0 18.29-999 ?-999 ?-999 ? MG MG F 302 mALA^F 20 35.40 54.66 -86.50 34.87 55.50 -86.41 34.94 52.48 -87.64 34.72 52.97 -88.71 34.84 53.31 -86.39 33.36 53.42 -85.94 2 0 20.51-999 ?-999 ?-999 ? MG MG F 302 mLYS^F 21 35.23 51.20 -87.50 35.61 50.95 -86.60 33.88 49.33 -88.24 33.87 48.83 -87.13 35.01 50.26 -88.61 36.26 49.46 -88.95 2 0 20.02-999 ?-999 ?-999 ? MG MG F 302 mMETF 22 32.97 49.07 -89.15 33.17 49.40 -90.07 31.56 47.17 -89.71 31.88 47.25 -90.86 31.77 48.37 -88.80 30.62 49.36 -88.87 2 0 23.42-999 ?-999 ?-999 ? MG MG F 302 mASP^F 23 31.02 46.06 -89.22 30.81 46.11 -88.24 29.30 44.79 -90.30 28.55 44.47 -89.41 30.78 44.89 -90.06 31.30 43.61 -89.40 2 0 25.03-999 ?-999 ?-999 ? MG MG F 301 mMETF 24 28.87 45.07 -91.51 29.57 45.06 -92.22 26.52 44.29 -91.35 25.43 44.60 -90.86 27.48 45.37 -91.75 27.23 45.72 -93.20 2 0 27.73-999 ?-999 ?-999 ? MG MG F 302 mGLU^F 25 26.88 43.03 -91.60 27.81 42.93 -91.95 25.71 41.75 -89.88 24.57 41.63 -89.43 25.95 41.93 -91.38 26.51 40.64 -91.95 2 0 30.46-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 26 26.80 41.72 -89.13 27.65 41.83 -89.64 26.33 42.80 -86.92 25.69 42.69 -85.87 26.77 41.53 -87.68 28.12 41.01 -87.13 2 0 30.15-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 27 26.65 43.99 -87.44 27.06 43.95 -88.35 27.57 45.62 -85.79 27.62 46.71 -85.26 26.40 45.24 -86.71-999.99-999.99-999.99 1 0 29.60-999 ?-999 ?-999 ? MG MG F 301 mGLN^F 28 28.52 44.72 -85.62 28.36 43.86 -86.12 30.53 46.17 -85.22 30.67 46.44 -86.38 29.69 44.95 -84.79 30.53 43.71 -84.84 2 0 27.01-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 29 31.08 46.90 -84.26 30.99 46.51 -83.35 33.07 48.14 -83.74 33.07 47.78 -82.56 31.76 48.15 -84.53 30.94 49.33 -84.05 3 0 24.48-999 ?-999 ?-999 ? MG MG F 301 mILE^F 30 34.17 48.54 -84.37 34.04 48.97 -85.26 36.21 49.69 -83.73 36.19 50.46 -84.71 35.47 48.35 -83.78 36.23 47.28 -84.58 3 0 21.30-999 ?-999 ?-999 ? MG MG F 301 mGLN^F 31 36.83 49.99 -82.59 36.72 49.32 -81.85 38.86 51.04 -81.60 38.92 50.17 -80.73 37.62 51.21 -82.45 36.78 52.29 -81.84 2 0 19.68-999 ?-999 ?-999 ? MG MG F 301 mPHE^F 32 39.84 51.89 -81.84 39.65 52.54 -82.58 41.20 53.13 -80.26 40.78 54.20 -80.73 41.09 51.85 -81.09 42.25 51.67 -82.07 3 0 17.57-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 33 41.70 53.05 -79.04 41.99 52.14 -78.73 42.89 55.17 -78.78 43.97 54.69 -79.14 41.80 54.26 -78.25 42.06 53.93 -76.80 2 0 19.14-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 34 42.61 56.47 -78.85 41.66 56.69 -78.63 44.13 58.18 -77.97 44.00 57.68 -76.85 43.60 57.46 -79.20-999.99-999.99-999.99 1 0 17.95-999 ?-999 ?-999 ? MG MG F 301 mASP^F 35 44.74 59.35 -78.17 44.65 59.70 -79.10 44.69 61.27 -76.64 45.08 61.88 -75.65 45.45 60.05 -77.12 46.82 60.47 -77.63 2 0 19.45-999 ?-999 ?-999 ? MG MG F 301 mSER^F 36 43.60 61.60 -77.32 43.39 60.99 -78.09 43.64 63.94 -76.51 43.61 64.32 -75.35 42.79 62.77 -76.96 41.79 62.41 -75.85 2 0 22.15-999 ?-999 ?-999 ? MG MG F 301 mARG^F 37 44.41 64.50 -77.44 44.37 64.06 -78.34 45.64 66.35 -78.45 45.59 65.74 -79.53 45.22 65.67 -77.16 46.45 65.28 -76.36 2 0 22.44-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 38 46.04 67.61 -78.35 45.90 68.03 -77.46 48.17 68.31 -79.43 48.76 67.62 -78.61 46.64 68.30 -79.50 46.11 69.72 -79.61 2 0 21.58-999 ?-999 ?-999 ? MG MG F 302 mPHE^F 39 48.79 69.11 -80.29 48.17 69.64 -80.88 50.82 69.82 -79.11 50.41 70.93 -78.75 50.25 69.18 -80.36 50.68 69.95 -81.59 3 0 20.72-999 ?-999 ?-999 ? MG MG F 302 mTHR^F 40 51.75 69.13 -78.46 52.01 68.27 -78.90 53.61 68.87 -76.89 53.71 67.66 -77.09 52.32 69.62 -77.21 51.32 69.51 -76.04 2 0 23.26-999 ?-999 ?-999 ? MG MG F 302 mPRO^F 41 54.61 69.61 -76.42 54.39 70.58 -76.31 55.93 68.26 -74.79 56.82 67.45 -74.56 55.92 69.04 -76.11 56.82 70.27 -76.00 3 0 23.49-999 ?-999 ?-999 ? MG MG F 301 mHIS^F 42 54.93 68.50 -73.95 54.13 68.95 -74.36 54.39 66.80 -72.24 53.85 66.60 -71.16 55.02 68.14 -72.54 54.36 69.21 -71.68 3 0 25.46-999 ?-999 ?-999 ? MG MG F 301 mALA^F 43 54.45 65.89 -73.20 55.10 66.09 -73.93 54.41 63.47 -72.67 53.92 62.35 -72.76 53.63 64.70 -73.15 53.00 64.46 -74.53 2 0 22.94-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 44 55.61 63.68 -72.15 55.87 64.64 -72.05 55.84 61.70 -70.66 55.25 62.23 -69.72 56.46 62.56 -71.76 57.84 63.02 -71.29 3 0 23.10-999 ?-999 ?-999 ? MG MG F 301 mASN^F 45 55.98 60.38 -70.78 56.35 60.07 -71.66 54.12 59.55 -69.39 53.65 59.03 -68.40 55.61 59.47 -69.69 56.42 59.79 -68.43 2 0 23.75-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 46 53.39 60.21 -70.27 53.90 60.51 -71.08 51.11 59.38 -70.66 49.92 59.31 -70.38 51.99 60.48 -70.07 51.63 61.80 -70.72 2 0 23.87-999 ?-999 ?-999 ? MG MG F 301 mMETF 47 51.72 58.53 -71.48 52.71 58.66 -71.54 49.95 58.15 -73.12 48.92 57.54 -73.42 50.99 57.52 -72.23 50.33 56.50 -71.29 2 0 21.07-999 ?-999 ?-999 ? MG MG F 301 mARG^F 48 50.20 59.39 -73.55 50.98 59.83 -73.11 50.13 59.99 -75.93 50.11 60.97 -76.67 49.39 60.00 -74.60 49.02 61.44 -74.23 2 0 20.07-999 ?-999 ?-999 ? MG MG F 301 mSER^F 49 50.80 58.87 -76.23 50.82 58.19 -75.50 51.46 57.24 -77.96 51.62 56.35 -77.13 51.43 58.69 -77.53 52.85 59.26 -77.52 2 0 16.47-999 ?-999 ?-999 ? MG MG F 301 mARG^F 50 51.31 56.99 -79.26 51.00 57.77 -79.81 53.08 55.37 -79.65 53.45 54.36 -79.07 51.59 55.67 -79.81 51.16 55.58 -81.28 2 0 13.31-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 51 53.94 56.26 -80.14 53.50 57.03 -80.61 55.97 57.44 -79.42 55.45 58.54 -79.67 55.39 56.14 -80.00 56.03 55.85 -81.36 3 0 12.93-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 52 57.04 57.31 -78.66 57.41 56.37 -78.65 59.10 58.10 -77.91 59.49 56.97 -77.56 57.64 58.41 -77.92 57.14 58.33 -76.50 2 0 15.95-999 ?-999 ?-999 ? MG MG F 301 mGLN^F 53 59.92 59.06 -78.30 59.47 59.90 -78.61 62.10 60.17 -77.96 61.73 61.23 -78.50 61.36 58.86 -78.25 61.84 58.25 -79.54 2 0 16.94-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 54 63.09 60.09 -77.06 63.15 59.20 -76.62 65.46 60.82 -76.89 65.92 59.80 -76.36 63.99 61.21 -76.75 63.69 61.78 -75.37 2 0 20.27-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 55 66.21 61.63 -77.63 65.70 62.33 -78.12 68.33 62.71 -77.07 68.02 63.85 -77.41 67.66 61.48 -77.69 68.15 61.31 -79.12 3 0 21.67-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 56 69.23 62.45 -76.13 69.39 61.48 -75.95 71.42 63.49 -75.74 72.11 62.53 -75.41 69.93 63.52 -75.43 69.69 63.44 -73.92 3 0 25.44-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 57 71.91 64.52 -76.41 71.23 65.16 -76.76 73.95 65.51 -75.50 73.50 66.62 -75.20 73.34 64.65 -76.61 73.76 65.10 -78.05 3 0 27.43-999 ?-999 ?-999 ? MG MG F 301 mASP^F 58 74.97 64.95 -74.87 75.26 64.06 -75.23 77.07 65.89 -74.11 77.95 65.01 -74.04 75.62 65.58 -73.76 75.55 64.68 -72.56 2 0 29.40-999 ?-999 ?-999 ? MG MG E 302 mPHE^F 59 77.30 67.14 -74.47 76.50 67.73 -74.42 79.63 67.64 -73.78 80.82 67.41 -73.99 78.63 67.60 -74.92 78.55 68.96 -75.62 3 0 31.94-999 ?-999 ?-999 ? MG MG E 302 mTYR^F 60 79.13 67.92 -72.57 78.15 68.12 -72.58 80.50 66.55 -71.00 81.60 66.46 -70.49 79.92 67.93 -71.36 79.08 68.52 -70.22 3 0 29.46-999 ?-999 ?-999 ? MG MG E 302 mLYS^F 61 79.76 65.48 -71.27 78.87 65.70 -71.67 80.74 63.40 -72.28 81.30 62.29 -72.17 80.24 64.12 -71.01 79.11 63.25 -70.40 2 0 27.94-999 ?-999 ?-999 ? MG MG E 302 mGLN^F 62 80.56 64.06 -73.44 80.40 65.03 -73.30 79.88 62.10 -74.81 80.49 61.04 -74.95 80.60 63.44 -74.78 82.01 63.37 -75.38 2 0 31.23-999 ?-999 ?-999 ? MG MG E 302 mGLU^F 63 78.56 62.20 -74.67 78.24 63.14 -74.62 76.35 61.29 -75.26 75.84 62.40 -75.30 77.67 61.05 -74.59 77.33 60.78 -73.14 2 0 29.57-999 ?-999 ?-999 ? MG MG E 302 mVAL^F 64 75.79 60.20 -75.76 76.38 59.39 -75.77 73.59 59.16 -75.53 73.92 57.98 -75.54 74.42 60.22 -76.24 74.37 60.07 -77.77 3 0 26.70-999 ?-999 ?-999 ? MG MG F 301 mPHE^F 65 72.52 59.60 -74.88 72.44 60.60 -74.87 70.21 58.74 -74.95 69.88 59.71 -75.66 71.56 58.70 -74.26 71.35 59.12 -72.85 3 0 25.54-999 ?-999 ?-999 ? MG MG F 301 mSER^F 66 69.42 57.69 -74.75 69.77 56.97 -74.15 66.98 57.05 -74.64 67.20 56.14 -73.86 68.12 57.69 -75.42 68.24 57.00 -76.77 2 0 22.26-999 ?-999 ?-999 ? MG MG F 301 mTYR^F 67 65.76 57.49 -74.90 65.70 58.25 -75.55 63.66 56.60 -75.37 63.57 57.36 -76.33 64.63 56.90 -74.26 64.06 57.90 -73.26 3 0 21.11-999 ?-999 ?-999 ? MG MG F 301 mALA^F 68 62.95 55.49 -75.25 63.17 54.95 -74.44 60.77 54.41 -75.53 60.95 53.68 -74.56 61.95 55.11 -76.22 62.56 54.23 -77.27 2 0 17.85-999 ?-999 ?-999 ? MG MG F 301 mASN^F 69 59.56 54.63 -76.03 59.51 55.25 -76.82 57.23 53.88 -76.35 57.13 54.64 -77.30 58.42 53.98 -75.42 58.04 54.70 -74.12 2 0 17.33-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 70 56.34 52.94 -76.10 56.59 52.31 -75.36 53.92 53.03 -75.91 54.00 52.70 -74.71 55.11 52.83 -76.85 54.97 51.48 -77.57 2 0 15.40-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 71 52.82 53.56 -76.44 52.90 53.90 -77.38 50.95 52.25 -75.57 51.39 51.30 -76.20 51.61 53.62 -75.65-999.99-999.99-999.99 1 0 16.93-999 ?-999 ?-999 ? MG MG F 301 mILE^F 72 49.88 52.17 -74.79 49.68 53.00 -74.28 48.06 50.95 -75.83 47.51 51.98 -76.14 49.10 50.96 -74.71 48.46 50.90 -73.36 3 0 18.41-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 73 47.83 49.80 -76.44 48.41 49.03 -76.15 45.51 49.14 -76.85 45.55 48.09 -76.19 46.81 49.68 -77.46 47.28 48.79 -78.61 2 0 16.89-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 74 44.39 49.85 -77.07 44.53 50.70 -77.57 42.02 49.23 -77.70 41.62 50.17 -78.37 43.07 49.39 -76.61 42.50 50.30 -75.53 2 0 19.63-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 75 41.55 48.01 -77.84 41.91 47.34 -77.19 39.26 47.63 -78.14 39.14 46.85 -77.17 40.58 47.71 -78.87 40.91 46.37 -79.51 2 0 19.89-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 76 38.32 48.47 -78.57 38.65 49.07 -79.30 35.99 47.90 -79.10 35.92 48.35 -80.23 36.96 48.52 -78.06 36.62 49.96 -77.82 2 0 22.95-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 77 35.24 46.88 -78.72 35.38 46.59 -77.78 32.87 46.48 -79.13 32.57 46.06 -77.99 34.29 46.26 -79.66 34.58 44.73 -79.85 3 0 24.62-999 ?-999 ?-999 ? MG MG F 301 mILE^F 78 32.02 47.13 -79.92 32.44 47.50 -80.75 29.75 46.26 -80.35 29.77 46.22 -81.56 30.59 47.28 -79.59 30.04 48.71 -79.90 3 0 27.61-999 ?-999 ?-999 ? MG MG F 301 mSER^F 79 29.03 45.42 -79.62 29.10 45.56 -78.63 26.86 44.94 -80.67 26.44 46.01 -80.21 28.21 44.39 -80.24 28.00 43.23 -79.28 2 0 30.04-999 ?-999 ?-999 ? MG MG F 301 mPRO^F 80 26.17 44.21 -81.54 26.61 43.36 -81.82 23.93 44.96 -80.85 23.10 45.86 -80.95 24.86 44.65 -82.02 24.35 43.45 -82.82 3 0 32.36-999 ?-999 ?-999 ? MG MG F 301 mASP^F 81 24.08 44.24 -79.74 24.83 43.57 -79.79 23.76 45.49 -77.60 23.24 45.65 -76.50 23.23 44.42 -78.55 23.08 43.10 -77.79 2 0 35.12-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 82 24.79 46.21 -78.03 25.17 45.90 -78.90 26.26 46.93 -76.17 26.79 47.77 -75.43 25.31 47.35 -77.27-999.99-999.99-999.99 1 0 33.28-999 ?-999 ?-999 ? MG MG F 301 mSER^F 83 26.49 45.62 -76.04 25.88 45.04 -76.59 28.91 45.62 -75.65 29.19 45.63 -76.86 27.54 45.11 -75.18 27.50 43.59 -75.20 2 0 32.78-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 84 29.76 46.07 -74.73 29.41 46.05 -73.80 32.18 45.72 -74.46 32.08 45.39 -73.30 31.10 46.56 -75.11 31.29 48.13 -74.96 3 0 29.64-999 ?-999 ?-999 ? MG MG F 301 mASN^F 85 33.19 45.33 -75.22 33.08 45.59 -76.19 35.62 45.32 -75.09 35.73 45.81 -76.20 34.34 44.61 -74.69 34.36 43.15 -75.19 2 0 27.85-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 86 36.57 45.36 -74.17 36.30 44.94 -73.30 39.02 44.94 -74.39 38.88 43.90 -73.78 37.89 45.97 -74.42 38.15 47.08 -73.41 2 0 25.20-999 ?-999 ?-999 ? MG MG F 301 mARG^F 87 40.10 45.22 -75.11 39.99 46.03 -75.68 42.49 45.41 -75.06 42.41 46.50 -75.62 41.34 44.41 -75.08 41.52 43.51 -76.31 2 0 23.00-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 88 43.58 44.97 -74.45 43.55 43.99 -74.26 45.94 45.06 -74.63 45.98 43.83 -74.61 44.71 45.78 -74.10 44.67 45.87 -72.56 2 0 21.60-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 89 46.94 45.78 -75.10 46.74 46.76 -75.19 49.22 46.29 -75.58 48.82 47.44 -75.75 48.22 45.17 -75.46-999.99-999.99-999.99 1 0 19.22-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 90 50.50 45.97 -75.51 50.69 45.00 -75.40 52.60 46.66 -76.60 53.31 45.67 -76.46 51.54 47.01 -75.58 52.17 47.22 -74.22 2 0 17.65-999 ?-999 ?-999 ? MG MG F 301 mALA^F 91 52.71 47.48 -77.63 52.09 48.26 -77.59 55.04 47.16 -78.13 55.39 47.86 -77.20 53.65 47.28 -78.71 53.60 48.47 -79.59 2 0 14.35-999 ?-999 ?-999 ? MG MG F 301 mSER^F 92 55.85 46.29 -78.70 55.43 45.75 -79.43 58.03 47.41 -78.64 57.76 48.05 -79.64 57.23 46.17 -78.28 57.79 44.96 -78.98 2 0 15.32-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 93 59.04 47.76 -77.85 59.15 47.19 -77.04 61.18 48.49 -78.95 62.07 49.31 -79.23 59.88 48.90 -78.21 60.19 49.79 -77.00 2 0 15.25-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 94 61.28 47.21 -79.28 60.45 46.68 -79.11 62.99 47.47 -81.06 64.18 47.50 -81.34 62.49 46.65 -79.84 62.28 45.13 -80.05 2 0 15.58-999 ?-999 ?-999 ? MG MG F 301 mASN^F 95 62.10 48.18 -81.74 61.17 48.16 -81.37 62.40 50.44 -82.87 62.20 51.12 -83.92 62.52 48.92 -82.93 61.81 48.42 -84.18 2 0 12.53-999 ?-999 ?-999 ? MG MG F 301 mILE^F 96 62.51 50.96 -81.65 62.45 50.32 -80.88 64.09 52.56 -81.04 64.46 52.22 -79.92 62.68 52.36 -81.51 61.68 52.93 -80.57 3 0 13.37-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 97 64.91 53.07 -81.94 64.47 53.47 -82.75 67.04 54.29 -82.11 66.55 55.10 -82.90 66.34 53.03 -81.72 67.05 51.83 -82.46 3 0 15.73-999 ?-999 ?-999 ? MG MG F 301 mCYH^F 98 68.23 54.45 -81.56 68.48 53.74 -80.90 70.43 55.02 -82.31 71.18 54.50 -81.48 69.09 55.56 -81.88 69.28 56.45 -80.65 2 0 18.09-999 ?-999 ?-999 ? MG MG F 301 mTHR^F 99 70.75 55.16 -83.59 70.26 55.88 -84.08 72.69 55.12 -85.09 72.34 56.22 -85.52 71.75 54.31 -84.19 71.09 53.17 -85.00 2 0 19.00-999 ?-999 ?-999 ? MG MG F 301 mASP^F 100 73.88 54.58 -85.35 74.06 53.71 -84.88 75.38 56.48 -85.65 75.52 57.49 -86.33 74.84 55.21 -86.25 74.18 55.53 -87.58 2 0 21.27-999 ?-999 ?-999 ? MG MG F 301 mILE^F 101 75.67 56.43 -84.36 75.48 55.55 -83.92 77.68 57.83 -84.09 78.53 56.95 -83.99 76.23 57.57 -83.66 76.14 57.40 -82.12 3 0 23.85-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 102 77.93 59.03 -84.60 77.15 59.66 -84.61 79.75 60.68 -84.44 79.18 61.75 -84.64 79.26 59.39 -85.07 79.29 59.50 -86.61 3 0 26.64-999 ?-999 ?-999 ? MG MG F 301 mTRP^F 103 80.81 60.56 -83.66 81.19 59.64 -83.61 82.55 62.28 -83.74 83.56 61.60 -83.98 81.38 61.70 -82.96 81.84 61.27 -81.57 3 0 29.87-999 ?-999 ?-999 ? MG MG F 301 mASN^F 104 82.42 63.55 -84.14 81.51 63.95 -84.02 83.73 65.64 -84.08 82.99 65.99 -83.15 83.56 64.26 -84.72 83.41 64.36 -86.23 2 0 32.26-999 ?-999 ?-999 ? MG MG F 301 mSER^F 105 84.70 66.42 -84.57 85.11 66.09 -85.42 83.94 68.65 -83.70 83.78 69.23 -82.62 85.11 67.66 -83.88 86.23 68.35 -84.65 2 0 35.22-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 106 83.13 68.81 -84.75 83.26 68.14 -85.48 80.92 69.64 -83.97 80.17 70.58 -83.67 82.15 69.89 -84.82-999.99-999.99-999.99 1 0 33.62-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 107 80.73 68.38 -83.59 81.52 67.79 -83.77 79.29 66.41 -83.12 80.25 65.63 -83.03 79.49 67.91 -82.95-999.99-999.99-999.99 1 0 30.90-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 108 78.05 65.99 -83.37 77.39 66.73 -83.51 76.57 64.30 -84.38 75.68 65.14 -84.53 77.71 64.56 -83.43 77.36 63.99 -82.03 3 0 27.67-999 ?-999 ?-999 ? MG MG F 301 mGLN^F 109 76.59 63.13 -85.02 77.41 62.59 -84.83 74.92 61.39 -85.45 75.60 60.57 -84.85 75.51 62.71 -85.91 76.03 62.52 -87.33 2 0 24.26-999 ?-999 ?-999 ? MG MG F 301 mPHE^F 110 73.64 61.20 -85.76 73.22 61.97 -86.24 71.58 59.94 -86.11 71.05 60.98 -86.51 72.94 59.98 -85.43 72.78 59.85 -83.90 3 0 21.05-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 111 71.01 58.74 -86.23 71.55 57.99 -85.86 68.68 57.89 -85.94 68.89 56.77 -85.48 69.70 58.57 -86.86 69.84 57.85 -88.21 2 0 17.25-999 ?-999 ?-999 ? MG MG F 301 mMETF 112 67.58 58.58 -85.66 67.55 59.50 -86.03 65.49 57.31 -85.77 64.85 57.98 -86.57 66.53 57.97 -84.87 65.85 59.00 -83.97 2 0 15.17-999 ?-999 ?-999 ? MG MG F 301 mSER^F 113 65.35 56.00 -85.64 66.02 55.57 -85.04 63.29 54.68 -85.31 63.66 54.11 -84.29 64.29 55.28 -86.32 64.89 54.19 -87.23 2 0 11.75-999 ?-999 ?-999 ? MG MG F 301 mALA^F 114 62.01 54.87 -85.60 61.87 55.46 -86.39 60.11 53.48 -85.82 59.90 53.87 -87.00 60.93 54.30 -84.85 60.06 55.37 -84.26 2 0 9.93-999 ?-999 ?-999 ? MG MG F 301 mSER^F 115 59.65 52.35 -85.34 59.97 52.13 -84.42 58.07 50.65 -85.00 58.74 49.91 -84.27 58.74 51.50 -86.07 59.51 50.67 -87.09 2 0 7.38-999 ?-999 ?-999 ? MG MG F 301 mALA^F 116 56.75 50.81 -84.88 56.36 51.43 -85.56 54.73 49.57 -84.53 54.04 50.30 -85.23 55.95 50.15 -83.85 55.52 51.16 -82.84 2 0 8.66-999 ?-999 ?-999 ? MG MG F 301 mSER^F 117 54.47 48.27 -84.34 55.17 47.77 -83.82 52.08 47.52 -83.86 52.25 47.84 -82.70 53.22 47.67 -84.89 53.50 46.37 -85.61 2 0 8.63-999 ?-999 ?-999 ? MG MG F 301 mASN^F 118 50.90 47.09 -84.30 50.88 46.86 -85.28 49.79 45.59 -82.74 49.69 44.55 -83.40 49.73 46.96 -83.42 48.40 47.22 -84.16 2 0 11.28-999 ?-999 ?-999 ? MG MG F 301 mPRO^F 119 49.99 45.60 -81.42 50.01 46.51 -81.01 48.92 43.53 -80.66 48.98 42.40 -80.19 50.16 44.40 -80.64 50.33 44.95 -79.24 3 0 14.57-999 ?-999 ?-999 ? MG MG F 301 mLEU^F 120 47.79 44.04 -81.16 47.87 44.98 -81.50 46.31 42.65 -82.56 45.60 41.64 -82.65 46.56 43.26 -81.19 45.36 44.08 -80.73 3 0 16.24-999 ?-999 ?-999 ? MG MG F 301 mASN^F 121 46.89 43.24 -83.61 47.30 44.14 -83.42 48.29 42.42 -85.54 48.79 43.34 -86.20 46.91 42.60 -84.93 46.01 43.34 -85.92 2 0 14.20-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 122 48.88 41.23 -85.38 48.33 40.57 -84.87 50.37 41.41 -87.39 51.49 41.68 -87.82 50.21 40.95 -85.93 50.67 39.45 -85.75 3 0 13.47-999 ?-999 ?-999 ? MG MG F 301 mTYR^F 123 49.27 41.51 -88.14 48.41 41.43 -87.63 49.21 43.18 -90.00 49.60 43.54 -91.12 49.35 41.73 -89.58 48.34 40.85 -90.30 3 0 11.86-999 ?-999 ?-999 ? MG MG F 301 mALA^F 124 48.69 44.03 -89.13 48.33 43.60 -88.30 50.03 46.06 -89.77 51.08 45.61 -89.30 48.65 45.47 -89.39 48.08 46.19 -88.18 2 0 9.32-999 ?-999 ?-999 ? MG MG F 301 mPRO^F 125 50.05 47.11 -90.59 49.18 47.43 -90.98 51.79 48.62 -89.73 50.94 49.25 -89.09 51.37 47.66 -90.84 51.19 48.43 -92.15 3 0 5.62-999 ?-999 ?-999 ? MG MG F 301 mPRO^F 126 53.09 48.72 -89.49 53.64 48.13 -90.08 53.71 51.11 -88.82 53.77 51.47 -89.99 53.65 49.62 -88.46 55.08 49.09 -88.28 3 0 -4.57-999 ?-999 ?-999 ? MG MG F 301s mVAL^F 127 53.69 51.98 -87.80 53.45 51.59 -86.91 55.48 53.40 -88.18 56.17 52.63 -87.49 54.00 53.38 -88.03 53.83 54.32 -86.84 3 0 4.47-999 ?-999 ?-999 ? MG MG F 301 mASP^F 128 55.98 54.32 -89.01 55.30 54.89 -89.47 57.81 55.92 -89.30 57.14 56.72 -89.98 57.39 54.47 -89.22 57.76 53.73 -90.50 2 0 -4.74-999 ?-999 ?-999 ? MG MG F 301s mTYR^F 129 58.90 56.26 -88.60 59.13 55.65 -87.84 61.17 57.12 -88.93 61.57 56.18 -88.28 59.68 57.43 -88.96 59.32 58.67 -88.13 3 0 8.07-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 130 61.96 57.86 -89.71 61.47 58.36 -90.42 63.85 59.35 -89.53 63.42 60.13 -90.39 63.42 57.91 -89.52 64.29 57.12 -90.57 3 0 10.89-999 ?-999 ?-999 ? MG MG F 301 mLEU^F 131 64.68 59.69 -88.56 64.86 58.96 -87.91 66.80 60.90 -88.57 67.47 60.07 -87.93 65.27 61.00 -88.45 64.89 61.59 -87.10 3 0 14.41-999 ?-999 ?-999 ? MG MG F 301 mASN^F 132 67.37 61.76 -89.40 66.73 62.28 -89.96 69.11 63.24 -88.93 68.78 64.25 -89.56 68.79 61.90 -89.48 69.23 61.88 -90.93 2 0 17.46-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 133 69.73 63.28 -87.76 69.96 62.40 -87.35 71.51 64.79 -86.99 72.28 63.85 -86.86 70.03 64.57 -87.17 69.20 64.82 -85.90 3 0 20.48-999 ?-999 ?-999 ? MG MG F 301 mCYH^F 134 71.90 66.05 -87.07 71.16 66.71 -87.25 73.22 67.58 -85.89 72.51 68.56 -86.13 73.26 66.44 -86.89 73.82 66.89 -88.24 2 0 24.13-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 135 73.93 67.44 -84.77 74.48 66.60 -84.74 75.26 69.11 -83.53 76.30 68.45 -83.43 73.92 68.43 -83.68 73.53 67.81 -82.34 3 0 26.70-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 136 75.26 70.44 -83.52 74.35 70.85 -83.60 76.76 71.60 -81.95 75.83 71.77 -81.17 76.49 71.19 -83.39 76.42 72.45 -84.26 2 0 30.37-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 137 78.05 71.82 -81.64 78.65 71.69 -82.43 77.98 73.52 -79.78 77.98 73.79 -78.57 78.53 72.20 -80.30 80.07 72.23 -80.28 2 0 33.46-999 ?-999 ?-999 ? MG MG F 301 mASP^F 138 77.51 74.35 -80.71 77.64 74.01 -81.64 75.36 75.46 -80.17 74.69 76.40 -79.74 76.87 75.61 -80.39 77.17 76.66 -81.48 2 0 34.50-999 ?-999 ?-999 ? MG MG F 301 mGLY^F 139 74.84 74.28 -80.49 75.50 73.61 -80.84 72.57 74.19 -81.57 71.35 74.28 -81.46 73.42 74.00 -80.33-999.99-999.99-999.99 1 0 31.26-999 ?-999 ?-999 ? MG MG F 301 mSER^F 140 73.19 74.26 -82.75 74.18 74.37 -82.70 72.05 72.72 -84.25 72.81 71.80 -83.90 72.45 74.17 -84.01 73.33 74.58 -85.18 2 0 29.39-999 ?-999 ?-999 ? MG MG F 302 mILE^F 141 70.88 72.51 -84.84 70.25 73.28 -84.86 70.33 71.24 -86.89 69.91 72.25 -87.44 70.62 71.21 -85.41 69.50 70.46 -84.73 3 0 25.76-999 ?-999 ?-999 ? MG MG F 302 mASP^F 142 70.57 70.11 -87.53 71.01 69.40 -86.97 69.48 68.59 -89.01 70.06 67.54 -88.72 70.21 69.92 -88.91 71.46 69.88 -89.76 2 0 23.46-999 ?-999 ?-999 ? MG MG F 302 mVAL^F 143 68.22 68.65 -89.43 67.91 69.56 -89.69 66.79 67.15 -90.87 66.22 68.02 -91.55 67.37 67.46 -89.48 66.24 67.59 -88.50 3 0 19.71-999 ?-999 ?-999 ? MG MG F 302 mGLN^F 144 66.93 65.89 -91.27 67.53 65.34 -90.69 65.46 64.15 -92.10 66.01 63.16 -91.57 66.27 65.37 -92.46 67.29 65.04 -93.52 2 0 16.86-999 ?-999 ?-999 ? MG MG F 302 mGLY^F 145 64.15 64.22 -92.35 63.87 64.99 -92.91 62.32 62.63 -92.84 62.08 63.22 -93.87 63.24 63.21 -91.82-999.99-999.99-999.99 1 0 13.40-999 ?-999 ?-999 ? MG MG F 302 mGLU^F 146 61.83 61.43 -92.55 62.30 60.97 -91.80 59.78 60.25 -92.29 60.18 59.92 -91.18 60.72 60.84 -93.27 61.20 59.72 -94.10 2 0 9.71-999 ?-999 ?-999 ? MG MG F 302 mHIS^F 147 58.53 60.07 -92.70 58.35 60.41 -93.62 56.28 59.00 -92.61 56.02 59.50 -93.71 57.54 59.42 -91.84 57.17 60.35 -90.71 3 0 7.14-999 ?-999 ?-999 ? MG MG F 302 mASP^F 148 55.51 58.08 -92.04 55.88 57.66 -91.22 53.25 58.94 -92.55 53.43 59.85 -91.72 54.22 57.73 -92.63 53.64 56.47 -91.98 2 0 3.99-999 ?-999 ?-999 ? MG MG F 302s mGLY^F 149 52.26 58.97 -93.44 52.23 58.19 -94.07 50.26 60.04 -92.36 49.43 60.97 -92.27 51.31 60.07 -93.46-999.99-999.99-999.99 1 0 5.34-999 ?-999 ?-999 ? MG MG F 302 mPHE^F 150 50.29 58.99 -91.55 51.02 58.34 -91.74 49.99 58.22 -89.21 50.89 57.42 -89.33 49.32 58.82 -90.47 48.19 57.93 -90.96 3 0 7.18-999 ?-999 ?-999 ? MG MG F 302 mPRO^F 151 49.59 58.61 -88.01 50.05 58.04 -87.32 49.45 60.96 -87.45 49.90 61.49 -88.49 48.69 59.62 -87.54 48.33 59.10 -86.15 3 0 10.09-999 ?-999 ?-999 ? MG MG F 302 mCYH^F 152 49.62 61.50 -86.24 49.25 60.97 -85.48 51.69 62.58 -85.58 51.96 61.73 -84.70 50.28 62.76 -86.08 49.54 63.60 -85.08 2 0 12.34-999 ?-999 ?-999 ? MG MG F 302 mPHE^F 153 52.59 63.42 -86.10 52.22 64.07 -86.77 54.36 64.74 -85.25 53.89 65.72 -85.81 53.98 63.37 -85.71 54.80 63.00 -86.92 3 0 12.75-999 ?-999 ?-999 ? MG MG F 302 mGLU^F 154 55.21 64.81 -84.23 55.43 63.92 -83.83 57.16 65.96 -83.24 57.48 65.02 -82.55 55.74 66.07 -83.74 54.85 66.64 -82.65 2 0 16.19-999 ?-999 ?-999 ? MG MG F 302 mPHE^F 155 58.01 66.92 -83.57 57.61 67.68 -84.08 59.89 68.11 -82.55 59.56 69.17 -83.05 59.42 66.83 -83.20 60.22 66.57 -84.46 3 0 18.00-999 ?-999 ?-999 ? MG MG F 301 mTYR^F 156 60.66 68.02 -81.45 60.89 67.08 -81.21 62.55 69.23 -80.25 63.10 68.21 -79.87 61.10 69.22 -80.68 60.27 69.39 -79.41 3 0 21.70-999 ?-999 ?-999 ? MG MG F 301 mLYS^F 157 63.16 70.40 -80.24 62.71 71.16 -80.71 64.36 71.29 -78.27 63.58 72.24 -78.17 64.43 70.47 -79.54 65.58 70.96 -80.44 2 0 24.44-999 ?-999 ?-999 ? MG MG F 301 mGLN^F 158 65.18 70.90 -77.30 65.69 70.06 -77.50 66.80 71.74 -75.70 67.45 70.71 -75.52 65.32 71.65 -76.07 64.55 70.94 -74.99 2 0 27.58-999 ?-999 ?-999 ? MG MG F 301 mVAL^F 159 67.33 72.95 -75.63 66.73 73.71 -75.86 68.91 73.66 -73.79 68.21 74.59 -73.36 68.71 73.10 -75.22 69.63 73.77 -76.29 3 0 30.52-999 ?-999 ?-999 ? MG MG F 301 mASP^F 160 69.87 73.06 -73.08 70.30 72.30 -73.58 69.13 73.74 -70.86 69.10 74.81 -70.23 70.29 73.42 -71.75 71.27 74.59 -71.77 2 0 30.46-999 ?-999 ?-999 ? MG MG E 302 mPHE^F 161 68.17 72.81 -70.84 68.34 72.06 -71.48 66.14 74.06 -70.24 65.41 74.52 -69.38 67.00 72.85 -69.97 67.39 72.77 -68.50 3 0 28.71-999 ?-999 ?-999 ? MG MG E 302 mGLY^F 162 66.21 74.56 -71.46 66.80 74.05 -72.08 64.07 75.42 -72.30 63.57 74.33 -72.05 65.47 75.75 -71.83-999.99-999.99-999.99 1 0 32.07-999 ?-999 ?-999 ? MG MG E 302 mPRO^F 163 63.43 76.38 -72.97 63.92 77.24 -73.07 62.17 75.14 -74.66 63.21 75.01 -75.30 62.10 76.13 -73.50 61.66 77.51 -74.00 3 0 31.43-999 ?-999 ?-999 ? MG MG F 301 mPHE^F 164 61.08 74.43 -74.92 60.34 74.51 -74.25 60.89 74.50 -77.36 60.42 75.64 -77.29 61.02 73.63 -76.12 59.83 72.72 -76.07 3 0 27.70-999 ?-999 ?-999 ? MG MG F 301 mGLU^F 165 61.30 73.94 -78.49 61.65 73.02 -78.38 60.82 73.60 -80.83 61.41 72.53 -80.93 61.24 74.62 -79.77 62.61 75.16 -80.13 2 0 26.20-999 ?-999 ?-999 ? MG MG F 302 mLYS^F 166 59.80 73.95 -81.61 59.44 74.86 -81.45 60.30 72.83 -83.74 60.80 73.79 -84.31 59.28 73.05 -82.63 58.00 73.63 -83.21 2 0 22.76-999 ?-999 ?-999 ? MG MG F 302 mILE^F 167 60.61 71.58 -84.04 60.29 70.90 -83.37 60.40 71.05 -86.43 60.62 71.61 -87.50 61.35 71.24 -85.24 62.18 69.97 -85.06 3 0 20.66-999 ?-999 ?-999 ? MG MG F 302 mTYR^F 168 59.35 70.28 -86.22 59.23 69.99 -85.27 57.20 69.22 -86.74 57.27 68.46 -85.76 58.44 69.90 -87.30 59.17 68.96 -88.26 3 0 17.53-999 ?-999 ?-999 ? MG MG F 302 mTHR^F 169 56.05 69.50 -87.34 56.10 70.21 -88.04 54.09 68.36 -88.25 54.13 69.06 -89.25 54.83 68.79 -86.99 53.91 69.66 -86.12 2 0 15.98-999 ?-999 ?-999 ? MG MG F 302 mHIS^F 170 53.42 67.22 -88.20 53.56 66.71 -87.36 51.20 66.36 -88.75 51.11 65.63 -87.76 52.57 66.76 -89.29 53.21 65.59 -90.05 3 0 12.94-999 ?-999 ?-999 ? MG MG F 302 mASP^F 171 50.14 66.85 -89.39 50.35 67.31 -90.25 47.94 66.09 -89.95 47.54 66.79 -90.85 48.79 66.69 -88.86 48.23 68.08 -88.47 2 0 13.75-999 ?-999 ?-999 ? MG MG F 302 mPHE^F 172 47.62 64.81 -89.84 47.86 64.40 -88.96 45.59 64.67 -91.29 45.09 64.55 -92.41 46.96 64.11 -90.96 46.84 62.59 -90.72 3 0 11.50-999 ?-999 ?-999 ? MG MG F 302 mARG^F 173 44.96 65.26 -90.30 45.40 65.27 -89.40 43.83 67.18 -91.36 42.85 67.71 -91.78 43.69 65.85 -90.60 42.76 65.85 -89.37 2 0 14.79-999 ?-999 ?-999 ? MG MG F 302 mGLU^F 174 45.04 67.68 -91.58 45.75 67.19 -91.08 45.63 68.37 -93.89 45.25 69.01 -94.87 45.28 68.83 -92.49 46.45 69.73 -92.02 2 0 15.71-999 ?-999 ?-999 ? MG MG F 302 mTHR^F 175 46.39 67.28 -94.00 46.64 66.85 -93.13 45.90 65.77 -95.92 46.24 65.21 -96.94 46.82 66.80 -95.29 48.23 66.22 -95.29 2 0 12.85-999 ?-999 ?-999 ? MG MG F 302 mGLY^F 176 44.74 65.54 -95.33 44.54 66.15 -94.56 44.44 63.08 -95.93 44.19 62.43 -96.91 43.85 64.48 -95.77-999.99-999.99-999.99 1 0 12.78-999 ?-999 ?-999 ? MG MG F 302 mASP^F 177 45.23 62.62 -94.96 45.43 63.28 -94.24 44.89 60.35 -94.13 44.03 60.82 -93.40 45.74 61.26 -95.00 47.18 61.22 -94.50 2 0 9.26-999 ?-999 ?-999 ? MG MG F 302 mTHR^F 178 45.15 59.05 -94.19 46.03 58.83 -94.62 45.01 56.97 -92.96 46.23 56.93 -93.08 44.23 58.04 -93.68 43.44 57.40 -94.86 2 0 9.32-999 ?-999 ?-999 ? MG MG F 302 mALA^F 179 44.33 56.10 -92.22 43.35 56.29 -92.15 45.73 54.08 -92.61 46.69 53.37 -92.27 44.99 54.95 -91.60 44.02 54.12 -90.83 2 0 8.99-999 ?-999 ?-999 ? MG MG F 302 mALA^F 180 45.29 54.13 -93.87 44.48 54.70 -94.00 47.42 53.82 -95.07 48.27 53.03 -95.48 45.97 53.39 -94.93 45.23 53.59 -96.27 2 0 7.37-999 ?-999 ?-999 ? MG MG F 302 mALA^F 181 47.71 55.09 -94.73 46.95 55.59 -94.32 50.06 55.03 -94.03 51.26 55.30 -94.15 49.03 55.67 -94.95 49.00 57.19 -94.78 2 0 -4.02-999 ?-999 ?-999 ? MG MG F 302s mLEU^F 182 49.60 54.18 -93.11 48.60 54.11 -93.07 51.24 52.36 -93.00 52.25 51.88 -92.54 50.49 53.44 -92.25 49.69 52.80 -91.13 3 0 -4.44-999 ?-999 ?-999 ? MG MG F 301s mGLY^F 183 50.75 51.97 -94.15 49.89 52.42 -94.42 52.20 51.61 -96.06 52.34 52.86 -96.09 51.40 50.96 -94.96-999.99-999.99-999.99 1 0 -4.39-999 ?-999 ?-999 ? MG MG F 301s mGLY^F 184 52.73 50.78 -96.98 52.48 49.82 -96.84 54.91 51.75 -97.53 55.45 51.18 -96.58 53.59 51.24 -98.07-999.99-999.99-999.99 1 0 4.93-999 ?-999 ?-999 ? MG MG F 302 mASN^F 185 55.44 52.81 -98.14 54.94 53.12 -98.95 56.30 54.71 -96.85 55.14 55.05 -96.72 56.64 53.46 -97.63 57.56 53.83 -98.77 2 0 -4.63-999 ?-999 ?-999 ? MG MG F 302s mMETF 186 57.30 55.38 -96.30 58.21 54.97 -96.40 56.76 57.65 -96.68 57.44 57.71 -97.68 57.04 56.64 -95.61 58.23 57.03 -94.76 2 0 4.22-999 ?-999 ?-999 ? MG MG F 302 mASP^F 187 55.73 58.46 -96.51 55.28 58.46 -95.62 55.59 60.74 -97.52 55.44 61.48 -98.49 55.34 59.25 -97.64 53.93 58.87 -98.14 2 0 -4.82-999 ?-999 ?-999 ? MG MG F 302s mTYR^F 188 56.00 61.21 -96.36 55.98 60.57 -95.59 57.91 62.55 -96.00 58.40 61.60 -95.37 56.45 62.57 -96.32 55.69 63.39 -95.29 3 0 7.89-999 ?-999 ?-999 ? MG MG F 302 mSER^F 189 58.60 63.60 -96.43 58.15 64.14 -97.14 59.96 65.37 -95.52 59.10 66.14 -95.91 59.91 63.90 -95.91 60.97 63.54 -96.94 2 0 10.88-999 ?-999 ?-999 ? MG MG F 302 mPHE^F 190 60.95 65.74 -94.71 61.48 64.99 -94.33 62.69 67.39 -94.12 63.47 66.46 -93.89 61.23 67.14 -94.42 60.40 67.64 -93.25 3 0 14.31-999 ?-999 ?-999 ? MG MG F 302 mTHR^F 191 63.02 68.66 -94.10 62.26 69.28 -94.29 64.18 70.32 -92.95 63.37 71.17 -93.26 64.36 69.12 -93.82 65.05 69.50 -95.14 2 0 17.83-999 ?-999 ?-999 ? MG MG F 302 mLYS^F 192 64.91 70.39 -91.85 65.49 69.60 -91.64 66.12 71.93 -90.34 66.86 71.04 -89.91 64.82 71.59 -91.06 63.64 71.49 -90.09 2 0 20.50-999 ?-999 ?-999 ? MG MG F 302 mARG^F 193 66.35 73.23 -90.23 65.66 73.80 -90.66 67.07 74.75 -88.45 66.28 75.69 -88.69 67.49 73.80 -89.55 68.25 74.60 -90.56 2 0 24.14-999 ?-999 ?-999 ? MG MG F 302 mLEU^F 194 67.59 74.51 -87.24 68.14 73.67 -87.21 68.69 76.01 -85.55 69.27 75.55 -84.55 67.39 75.39 -86.08 66.65 74.64 -84.95 3 0 26.36-999 ?-999 ?-999 ? MG MG F 302