HEADER UNKNOWN FUNCTION 05-OCT-08 3ESG COMPND PUTATIVE UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: HUTD; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; SOURCE 3 ORGANISM_TAXID: 216595; SOURCE 4 STRAIN: SBW25; SOURCE 5 GENE: HUTD; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; 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: PTRC99A AUTHOR J.S.LOTT,Y.H.LIU,J.M.JOHNSTON HET GOL A 187 6 HET FMT A 188 3 HET FMT A 189 3 HET FMT A 190 3 HET FMT A 191 3 HET FMT A 192 3 HET FMT A 193 3 HET FMT A 194 3 HET FMT A 195 3 HET FMT A 196 3 HET FMT A 197 3 HET FMT A 198 3 HET FMT A 199 3 HET FMT A 200 3 HET FMT B 187 3 HET FMT B 188 3 HET FMT B 189 3 HET FMT B 190 3 HET FMT B 191 3 HET FMT B 192 3 HET FMT B 193 3 HET FMT B 194 3 HET FMT B 195 3 HET FMT B 196 3 HET FMT B 197 3 HET FMT B 198 3 HET FMT B 199 3 HET FMT B 200 3 SITE 1 AC1 7 ASN A 19 GLY A 52 PHE A 53 SER A 54 SITE 1 AC2 6 PHE A 53 ARG A 61 ASN A 110 GOL A 187 SITE 1 AC3 8 ARG A 61 ASN A 110 ILE A 112 HOH A 204 SITE 1 AC4 2 ARG B 29 ARG B 41 SITE 1 AC5 2 ARG A 29 ASP B 11 SITE 1 AC6 5 GLY A 58 SER A 114 PRO A 115 GLU A 116 SITE 1 AC7 2 ARG A 107 HIS A 157 SITE 1 AC8 4 ASP A 145 GLU A 146 HOH A 224 HOH A 235 SITE 1 AC9 2 VAL A 10 ASP A 11 SITE 1 BC1 3 GLY A 127 VAL A 128 HOH A 314 SITE 1 BC2 6 TRP A 17 LYS A 18 GOL A 187 HOH A 250 SITE 1 BC3 5 LYS A 148 SER A 172 VAL A 173 THR A 174 SITE 1 BC4 6 GLN A 60 ALA A 90 PHE A 91 ARG A 92 SITE 1 BC5 4 THR A 74 ASP A 76 GLN A 96 SER A 98 SITE 1 BC6 6 PHE B 53 ARG B 61 ASN B 110 FMT B 188 SITE 1 BC7 4 TRP B 17 PHE B 53 SER B 54 FMT B 187 SITE 1 BC8 6 THR A 33 GLY A 34 HOH A 226 LYS B 153 SITE 1 BC9 4 ASP B 145 HIS B 156 HOH B 261 HOH B 272 SITE 1 CC1 4 THR B 74 GLU B 78 GLN B 80 SER B 172 SITE 1 CC2 6 ASP B 46 PRO B 105 ILE B 106 ARG B 107 SITE 1 CC3 5 GLY B 22 GLY B 48 PRO B 105 FMT B 192 SITE 1 CC4 5 THR B 74 ASP B 76 GLY B 77 GLN B 96 SITE 1 CC5 5 LYS B 148 SER B 172 VAL B 173 THR B 174 SITE 1 CC6 6 ASP B 126 GLY B 127 GLY B 175 HOH B 212 SITE 1 CC7 5 ALA B 144 ASP B 145 GLU B 146 HOH B 212 SITE 1 CC8 2 GLY B 127 VAL B 128 SITE 1 CC9 8 PHE B 56 ARG B 61 ASN B 110 ILE B 112 SITE 1 DC1 4 GLN B 67 GLY B 68 PRO B 105 FMT B 192 mALA.A 3 18.71 60.41 31.33 18.99 59.66 31.93 17.17 61.05 29.51 17.37 60.10 28.73 18.29 61.53 30.43 19.48 62.01 29.62 2 0 17.76-999 ?-999 ?-999 ? O2 FMT A 195 mILE^A 4 16.02 61.71 29.58 16.03 62.44 30.27 14.60 62.48 27.70 14.61 63.67 28.03 14.85 61.39 28.74 13.57 61.17 29.60 3 0 14.78-999 ?-999 ?-999 ? O2 FMT A 195 mSER^A 5 14.46 62.09 26.44 14.68 61.13 26.27 12.78 62.44 24.76 12.58 61.21 24.74 14.03 63.00 25.39 15.09 63.16 24.32 2 0 11.36-999 ?-999 ?-999 ? O2 FMT A 195 mVAL^A 6 11.93 63.32 24.25 12.14 64.27 24.45 10.86 63.52 22.08 10.88 64.75 21.96 10.78 62.88 23.47 9.43 63.20 24.13 3 0 8.79-999 ?-999 ?-999 ? O2 FMT A 195 mTRP^A 7 10.95 62.70 21.03 11.04 61.74 21.28 9.50 63.16 19.14 8.79 62.13 19.20 10.93 63.17 19.65 11.83 62.33 18.72 3 0 7.42-999 ?-999 ?-999 ? O2 FMT A 195 mARG~A 8 9.05 64.32 18.63 9.70 65.07 18.64 7.62 64.26 16.61 8.42 64.90 15.88 7.67 64.41 18.12 7.03 65.75 18.58 2 0 5.34-999 ?-999 ?-999 ? O2 FMT A 195 mALA~A 9 6.72 63.40 16.14 6.15 62.97 16.84 6.36 64.33 13.85 6.80 64.36 12.70 6.57 63.09 14.72 5.43 62.09 14.49 2 0 5.09-999 ?-999 ?-999 ? C FMT A 193 mVAL~A 10 5.67 65.33 14.40 5.33 65.15 15.32 6.80 67.24 13.27 6.86 68.01 12.31 5.46 66.58 13.62 4.57 67.63 14.36 3 0 -5.98-999 ?-999 ?-999 ? C FMT A 195s mASP~A 11 7.84 66.97 14.06 7.62 66.35 14.82 10.14 66.67 13.05 11.31 67.05 12.92 9.17 67.53 13.84 9.85 67.86 15.17 2 0 -5.87-999 ?-999 ?-999 ? O2 FMT A 195s mTYR~A 12 9.72 65.48 12.59 8.76 65.25 12.76 11.00 65.24 10.52 10.10 65.53 9.72 10.67 64.64 11.88 10.14 63.21 11.67 3 0 8.11-999 ?-999 ?-999 ? O1 FMT A 193 mVAL^A 13 12.28 65.39 10.27 12.87 65.11 11.02 12.71 64.89 7.93 13.28 63.85 8.05 12.79 65.92 9.02 14.26 66.41 9.16 3 0 10.03-999 ?-999 ?-999 ? O1 FMT A 190 mARG^A 14 12.01 65.22 6.86 11.61 66.14 6.90 12.78 64.71 4.61 12.90 65.84 4.28 11.85 64.35 5.75 10.43 64.42 5.24 2 0 7.84-999 ?-999 ?-999 ? O1 FMT A 190 mMET^A 15 13.45 63.73 4.03 13.28 62.83 4.43 14.02 62.97 1.76 13.94 61.79 1.96 14.34 63.94 2.91 15.81 63.90 3.38 2 0 5.82-999 ?-999 ?-999 ? O1 FMT A 190 mPRO^A 16 13.84 63.47 0.55 13.94 64.46 0.50 14.65 61.72 -1.05 15.78 62.08 -0.92 13.51 62.62 -0.58 13.12 63.63 -1.66 3 0 5.90-999 ?-999 ?-999 ? O1 FMT A 190 mTRP.A 17 14.32 60.54 -1.57 13.34 60.38 -1.63 15.99 60.01 -3.28 15.43 60.68 -4.07 15.30 59.58 -2.00 14.68 58.21 -2.25 3 0 -3.52-999 ?-999 ?-999 ? O2 FMT A 197s mLYS.A 18 17.22 59.60 -3.45 17.57 59.04 -2.70 17.23 59.58 -5.91 17.17 60.34 -6.82 17.98 59.95 -4.64 19.32 59.26 -4.58 2 0 -3.91-999 ?-999 ?-999 ? O2 FMT A 197s mASN.A 19 16.64 58.40 -5.93 16.72 57.89 -5.07 14.51 58.37 -7.27 13.85 57.94 -8.18 15.94 57.92 -7.10 16.01 56.40 -7.16 2 0 -5.48-999 ?-999 ?-999 ? O1 GOL A 187s mGLY.A 20 14.04 59.23 -6.40 14.71 59.52 -5.72 11.56 58.76 -6.04 10.42 59.13 -6.09 12.69 59.72 -6.44-999.99-999.99-999.99 1 0 7.62-999 ?-999 ?-999 ? O1 GOL A 187 mGLY.A 21 11.89 57.55 -5.64 12.88 57.38 -5.59 10.25 56.58 -3.94 9.45 55.74 -3.64 10.87 56.58 -5.32-999.99-999.99-999.99 1 0 6.57-999 ?-999 ?-999 ? O1 GOL A 187 mGLY^A 22 10.61 57.55 -3.13 11.21 58.22 -3.54 10.93 58.68 -1.01 11.58 59.50 -1.59 10.17 57.62 -1.76-999.99-999.99-999.99 1 0 7.32-999 ?-999 ?-999 ? C2 GOL A 187 mSER^A 23 10.84 58.64 0.30 10.23 57.93 0.65 11.67 58.94 2.51 11.04 57.98 2.78 11.56 59.54 1.13 10.88 60.88 1.16 2 0 7.34-999 ?-999 ?-999 ? O2 FMT A 197 mTHR^A 24 12.50 59.54 3.34 12.93 60.36 2.96 12.70 60.15 5.69 13.25 61.17 5.46 12.77 59.05 4.68 14.15 58.44 4.75 2 0 8.02-999 ?-999 ?-999 ? C3 GOL A 187 mGLU^A 25 12.05 59.88 6.80 11.60 58.99 6.81 12.91 60.36 9.00 12.83 59.27 9.48 11.97 60.79 7.90 10.57 60.86 8.50 2 0 8.52-999 ?-999 ?-999 ? O1 FMT A 193 mGLU^A 26 13.82 61.25 9.39 13.77 62.12 8.90 14.18 61.18 11.82 13.59 62.23 12.09 14.78 60.95 10.44 16.04 61.81 10.27 2 0 8.12-999 ?-999 ?-999 ? C FMT A 191 mILE^A 27 14.34 60.20 12.70 14.84 59.41 12.35 14.93 60.44 15.07 14.86 61.29 15.97 13.81 60.29 14.06 12.97 59.05 14.42 3 0 10.26-999 ?-999 ?-999 ? O1 FMT A 193 mTHR^A 28 15.97 59.62 14.94 15.89 58.99 14.17 18.17 58.64 15.45 17.85 57.60 14.88 17.10 59.67 15.85 16.68 59.40 17.30 2 0 10.60-999 ?-999 ?-999 ? C FMT A 191 mARG^A 29 19.42 58.96 15.75 19.54 59.83 16.21 21.60 58.29 16.48 21.52 59.26 17.25 20.52 58.07 15.42 21.03 58.35 14.01 2 0 -9.38-999 ?-999 ?-999 ? C FMT A 191s mASP.A 30 22.58 57.40 16.56 22.53 56.63 15.92 24.63 58.64 17.08 24.42 59.28 16.04 23.64 57.58 17.55 24.36 56.28 17.90 2 0 11.67-999 ?-999 ?-999 ? C FMT A 191 mALA.A 31 25.67 58.85 17.87 25.72 58.27 18.68 27.53 59.43 16.37 28.16 60.24 15.67 26.64 59.90 17.48 27.50 60.31 18.68 2 0 12.17-999 ?-999 ?-999 ? O1 FMT A 191 mGLY.A 32 27.62 58.12 16.16 27.11 57.56 16.81 29.95 57.74 15.24 30.42 58.15 16.31 28.43 57.62 15.03-999.99-999.99-999.99 1 0 11.30-999 ?-999 ?-999 ? C FMT A 191 mTHR.A 33 30.69 57.37 14.22 30.17 56.91 13.51 32.41 58.35 12.84 31.64 58.24 11.87 32.15 57.64 14.15 33.02 56.36 14.27 2 0 -11.43-999 ?-999 ?-999 ? O2 FMT A 192s mGLY.A 34 33.50 59.11 12.81 33.96 59.23 13.69 34.18 58.70 10.44 33.80 58.92 9.30 33.94 59.72 11.55-999.99-999.99-999.99 1 0 -13.24-999 ?-999 ?-999 ? O1 FMT A 191s mLEU.A 35 34.80 57.58 10.78 35.02 57.52 11.76 33.93 55.75 9.25 33.85 55.48 8.04 35.13 56.56 9.80 36.13 55.59 10.43 3 0 11.08-999 ?-999 ?-999 ? O2 FMT A 192 mGLU.A 36 33.02 55.37 10.15 33.14 55.77 11.05 30.54 55.05 9.72 29.58 54.38 9.29 31.94 54.42 9.79 31.88 53.25 10.78 2 0 7.76-999 ?-999 ?-999 ? O2 FMT A 192 mGLY.A 37 30.42 56.31 10.13 31.27 56.77 10.38 28.28 56.42 11.37 28.85 55.95 12.37 29.09 56.93 10.17-999.99-999.99-999.99 1 0 8.84-999 ?-999 ?-999 ? O2 FMT A 191 mPHE.A 38 26.95 56.57 11.28 26.61 56.97 10.44 26.35 54.65 12.68 26.70 53.90 11.75 26.11 56.13 12.41 24.61 56.44 12.19 3 0 8.43-999 ?-999 ?-999 ? C FMT A 191 mGLY.A 39 26.18 54.28 13.95 26.06 55.05 14.57 24.78 52.34 14.58 24.59 51.11 14.62 26.19 52.87 14.38-999.99-999.99-999.99 1 0 7.32-999 ?-999 ?-999 ? C FMT A 192 mTRP^A 40 23.81 53.26 14.72 24.14 54.19 14.87 21.54 54.04 14.23 21.93 55.22 14.44 22.38 52.86 14.66 21.83 52.25 15.98 3 0 8.37-999 ?-999 ?-999 ? O2 FMT A 189 mARG^A 41 20.39 53.74 13.64 20.20 52.76 13.55 18.06 54.32 13.22 17.82 53.14 12.89 19.49 54.81 13.16 19.88 55.23 11.73 2 0 6.25-999 ?-999 ?-999 ? O2 FMT A 189 mLEU^A 42 17.15 55.16 13.69 17.53 55.96 14.15 15.13 55.95 12.58 15.43 57.17 12.68 15.70 54.93 13.53 14.97 55.09 14.88 3 0 6.40-999 ?-999 ?-999 ? O2 FMT A 189 mSER^A 43 14.29 55.47 11.67 14.12 54.49 11.71 12.38 55.79 10.21 12.06 54.63 10.53 13.69 56.38 10.70 14.68 56.58 9.53 2 0 6.29-999 ?-999 ?-999 ? O2 FMT A 189 mILE^A 44 11.65 56.58 9.41 11.99 57.51 9.32 10.66 56.20 7.27 10.91 57.32 6.78 10.45 56.07 8.76 9.17 56.84 9.18 3 0 7.87-999 ?-999 ?-999 ? O1 FMT A 193 mALA^A 45 10.58 55.08 6.54 10.42 54.25 7.08 9.34 55.16 4.45 8.47 54.38 4.80 10.72 55.09 5.08 11.47 53.82 4.59 2 0 5.38-999 ?-999 ?-999 ? O1 FMT A 188 mASP^A 46 9.14 56.16 3.58 9.90 56.80 3.51 8.20 55.76 1.43 8.90 56.42 0.65 7.92 56.29 2.81 7.59 57.76 2.64 2 0 8.01-999 ?-999 ?-999 ? O1 FMT A 188 mILE^A 47 7.70 54.56 1.12 7.11 54.17 1.83 6.88 54.24 -1.12 5.73 53.85 -0.91 8.00 53.90 -0.14 8.09 52.36 0.03 3 0 7.56-999 ?-999 ?-999 ? O1 FMT A 188 mGLY.A 48 7.22 55.01 -2.16 8.20 55.17 -2.26 6.02 54.73 -4.33 4.98 54.81 -4.98 6.21 55.56 -3.07-999.99-999.99-999.99 1 0 10.44-999 ?-999 ?-999 ? C3 GOL A 187 mGLU.A 49 7.04 53.96 -4.69 7.81 54.01 -4.05 7.74 51.83 -5.59 8.62 51.76 -4.72 7.05 53.14 -5.89 7.86 53.81 -7.00 2 0 9.84-999 ?-999 ?-999 ? O1 GOL A 187 mSER.A 50 7.36 50.79 -6.32 6.54 50.95 -6.87 9.56 49.77 -6.77 9.81 50.61 -7.65 8.12 49.54 -6.31 7.47 48.49 -7.21 2 0 9.90-999 ?-999 ?-999 ? O1 GOL A 187 mGLY^A 51 10.50 49.03 -6.20 10.17 48.41 -5.48 12.86 48.60 -5.63 12.43 48.10 -4.57 11.89 49.13 -6.64-999.99-999.99-999.99 1 0 7.37-999 ?-999 ?-999 ? O1 GOL A 187 mGLY^A 52 14.15 48.74 -5.91 14.34 49.24 -6.76 15.47 49.09 -3.82 15.18 50.28 -3.85 15.20 48.20 -5.03-999.99-999.99-999.99 1 0 -5.79-999 ?-999 ?-999 ? C1 GOL A 187s mPHE.A 53 15.97 48.47 -2.75 16.00 47.48 -2.83 17.93 49.35 -1.72 18.58 48.53 -2.36 16.43 49.19 -1.58 16.17 48.39 -0.30 3 0 3.38-999 ?-999 ?-999 ? O3 GOL A 187s mSER.A 54 18.50 50.37 -1.09 17.86 51.06 -0.74 20.42 49.31 -0.05 19.67 48.79 0.77 19.94 50.43 -0.94 20.34 51.75 -0.28 2 0 -3.86-999 ?-999 ?-999 ? O3 GOL A 187s mSER.A 55 21.67 48.95 -0.22 22.13 49.40 -0.99 23.19 48.71 1.67 23.64 49.85 1.44 22.32 47.99 0.65 23.14 47.01 -0.18 2 0 7.01-999 ?-999 ?-999 ? O3 GOL A 187 mPHE.A 56 23.41 48.03 2.79 22.96 47.14 2.80 25.08 47.37 4.41 24.79 46.75 5.43 24.23 48.52 3.90 23.31 49.03 5.03 3 0 7.85-999 ?-999 ?-999 ? C FMT A 189 mALA.A 57 26.14 47.05 3.66 26.30 47.64 2.87 27.50 45.99 5.45 28.01 47.03 5.88 26.99 45.92 4.01 28.16 45.80 3.02 2 0 7.06-999 ?-999 ?-999 ? O2 FMT A 192 mGLY.A 58 27.33 44.91 6.19 26.83 44.16 5.75 26.80 45.20 8.59 26.98 44.86 9.74 27.85 44.84 7.54-999.99-999.99-999.99 1 0 -4.07-999 ?-999 ?-999 ? O2 FMT A 192s mTYR.A 59 25.69 45.83 8.19 25.62 45.95 7.20 23.53 45.26 9.22 23.34 44.47 8.29 24.67 46.28 9.14 24.09 47.63 8.70 3 0 4.90-999 ?-999 ?-999 ? O2 FMT A 192 mGLN^A 60 22.78 45.31 10.31 23.13 45.96 10.99 20.36 45.38 10.43 20.38 46.46 11.01 21.58 44.48 10.49 21.62 43.81 11.88 2 0 -6.28-999 ?-999 ?-999 ? O2 FMT A 199s mARG^A 61 19.30 44.96 9.74 19.41 44.06 9.33 16.91 45.03 10.25 16.85 43.79 10.19 18.09 45.77 9.64 17.77 46.06 8.16 2 0 6.35-999 ?-999 ?-999 ? O2 FMT A 189s mVAL^A 62 15.98 45.79 10.81 16.28 46.73 11.00 13.66 46.32 10.69 13.72 47.46 11.17 14.65 45.27 11.12 14.44 45.02 12.63 3 0 7.56-999 ?-999 ?-999 ? C FMT A 199 mILE^A 63 12.72 45.96 9.83 12.75 44.99 9.58 10.33 46.43 9.61 10.11 45.23 9.73 11.74 46.93 9.32 11.90 47.20 7.79 3 0 7.24-999 ?-999 ?-999 ? O1 FMT A 188 mTHR^A 64 9.40 47.37 9.73 9.72 48.30 9.58 7.10 47.97 9.32 7.21 49.20 9.44 8.04 47.05 10.06 7.75 47.22 11.58 2 0 9.47-999 ?-999 ?-999 ? O1 FMT A 188 mVAL^A 65 6.12 47.39 8.62 6.16 46.39 8.55 4.26 48.95 9.09 3.70 48.31 9.98 5.08 48.23 8.01 4.14 47.39 7.07 3 0 10.14-999 ?-999 ?-999 ? O1 FMT A 188 mILE^A 66 4.18 50.28 9.01 4.70 50.69 8.25 2.24 51.87 9.34 1.39 52.42 10.04 3.39 51.05 9.98 4.25 51.99 10.88 3 0 9.10-999 ?-999 ?-999 ? O1 FMT A 193 mGLN^A 67 2.21 51.93 8.03 3.02 51.53 7.58 0.90 51.92 5.99 1.88 51.62 5.31 1.06 52.54 7.34 1.24 54.05 7.20 2 0 8.86-999 ?-999 ?-999 ? O1 FMT A 193 mGLY.A 68 -0.35 51.71 5.61 -1.04 52.13 6.21 -0.91 49.46 4.74 -0.63 49.00 5.86 -0.67 50.92 4.40-999.99-999.99-999.99 1 0 12.19-999 ?-999 ?-999 ? O1 FMT A 193 mALA.A 69 -1.40 48.70 3.75 -1.41 49.13 2.85 -0.76 46.29 3.93 -0.94 45.14 4.37 -1.88 47.33 4.02 -3.06 46.97 3.04 2 0 15.66-999 ?-999 ?-999 ? O1 FMT A 193 mGLY.A 70 0.38 46.69 3.39 0.36 47.63 3.05 2.17 45.80 1.94 1.64 46.40 1.01 1.55 45.82 3.32-999.99-999.99-999.99 1 0 13.29-999 ?-999 ?-999 ? O1 FMT A 188 mMET^A 71 3.32 45.15 1.82 3.66 44.77 2.67 4.79 43.71 0.54 4.76 42.96 1.52 4.01 45.01 0.55 4.91 46.24 0.23 2 0 11.87-999 ?-999 ?-999 ? O1 FMT A 188 mVAL^A 72 5.45 43.43 -0.57 5.42 44.16 -1.25 7.64 42.42 -0.98 8.01 43.19 -1.87 6.16 42.17 -0.76 5.55 41.42 -1.98 3 0 10.58-999 ?-999 ?-999 ? C FMT A 200 mLEU^A 73 8.48 41.76 -0.19 8.04 41.16 0.48 10.55 40.71 -0.99 10.15 39.57 -0.70 9.94 41.92 -0.32 10.59 42.05 1.06 3 0 7.47-999 ?-999 ?-999 ? C FMT A 200 mTHR^A 74 11.52 40.93 -1.86 11.65 41.89 -2.12 13.72 40.03 -1.85 14.32 41.10 -2.06 12.31 39.84 -2.38 12.29 39.81 -3.94 2 0 -4.46-999 ?-999 ?-999 ? C FMT A 200s mVAL^A 75 14.22 39.06 -1.13 13.62 38.26 -1.05 16.46 38.12 -1.16 16.26 36.95 -1.11 15.51 39.12 -0.50 15.42 38.80 0.98 3 0 4.39-999 ?-999 ?-999 ? O1 FMT A 200 mASP.A 76 17.50 38.64 -1.78 17.58 39.63 -1.70 17.64 36.90 -3.42 16.82 37.33 -4.17 18.43 37.84 -2.50 19.31 37.08 -1.54 2 0 -3.58-999 ?-999 ?-999 ? O1 FMT A 200s mGLY.A 77 17.89 35.62 -3.31 18.65 35.38 -2.70 15.94 34.01 -3.33 15.38 33.07 -3.82 17.11 34.66 -4.06-999.99-999.99-999.99 1 0 5.46-999 ?-999 ?-999 ? O1 FMT A 200 mGLU.A 78 15.59 34.48 -2.16 16.09 35.28 -1.84 13.20 33.94 -2.19 13.07 34.74 -3.04 14.54 33.82 -1.42 14.46 34.35 0.01 2 0 7.33-999 ?-999 ?-999 ? O1 FMT A 200 mGLU.A 79 12.22 33.10 -1.87 12.49 32.35 -1.28 10.36 34.66 -1.83 10.90 35.19 -0.85 10.85 33.33 -2.38 9.91 32.15 -2.01 2 0 9.16-999 ?-999 ?-999 ? O1 FMT A 200 mGLN.A 80 9.37 35.23 -2.47 9.06 34.72 -3.28 8.26 36.39 -0.60 7.79 35.34 -0.17 8.79 36.49 -2.04 7.65 36.86 -2.98 2 0 8.87-999 ?-999 ?-999 ? C FMT A 200 mARG^A 81 8.34 37.51 0.11 8.75 38.28 -0.37 6.89 38.73 1.68 7.24 39.88 1.35 7.84 37.57 1.48 9.04 37.72 2.42 2 0 10.76-999 ?-999 ?-999 ? C FMT A 200 mGLY^A 82 5.70 38.45 2.22 5.57 37.48 2.45 4.91 40.08 3.82 5.11 39.34 4.80 4.69 39.46 2.45-999.99-999.99-999.99 1 0 13.41-999 ?-999 ?-999 ? C FMT A 200 mLEU^A 83 4.92 41.41 3.88 4.85 41.87 2.99 3.69 42.78 5.46 3.25 43.67 4.76 5.02 42.13 5.15 6.14 43.22 5.07 3 0 12.54-999 ?-999 ?-999 ? O1 FMT A 188 mLEU.A 84 3.05 42.30 6.52 3.53 41.56 6.99 1.97 43.92 8.00 3.07 44.01 8.60 1.75 42.83 6.95 0.91 41.68 7.55 3 0 14.22-999 ?-999 ?-999 ? O1 FMT B 191 mPRO.A 85 0.95 44.76 8.25 0.12 44.60 7.72 1.61 45.31 10.59 1.08 44.29 11.11 1.11 45.84 9.25 -0.31 46.41 9.40 3 0 14.63-999 ?-999 ?-999 ? O1 FMT A 193 mLEU.A 86 2.62 46.00 11.14 2.97 46.73 10.55 3.86 44.40 12.62 4.07 43.94 13.74 3.18 45.75 12.47 2.18 46.04 13.63 3 0 13.73-999 ?-999 ?-999 ? O2 FMT B 198 mGLN.A 87 4.28 43.79 11.50 4.06 44.26 10.65 6.45 42.80 11.31 6.83 43.04 10.16 4.99 42.52 11.59 4.47 41.49 10.57 2 0 11.27-999 ?-999 ?-999 ? O1 FMT B 191 mPRO.A 88 7.30 42.75 12.35 6.91 42.48 13.23 9.41 42.03 11.25 9.07 40.83 11.33 8.71 43.09 12.13 9.30 43.12 13.55 3 0 10.57-999 ?-999 ?-999 ? C FMT A 199 mPHE^A 89 10.31 42.48 10.39 10.43 43.47 10.37 12.55 41.94 9.58 12.90 43.10 9.28 11.07 41.58 9.53 10.57 41.67 8.07 3 0 7.68-999 ?-999 ?-999 ? C FMT A 199 mALA^A 90 13.40 40.98 9.99 12.96 40.11 10.21 15.60 40.71 8.86 15.34 39.59 8.38 14.87 41.22 10.10 15.43 40.53 11.37 2 0 -4.18-999 ?-999 ?-999 ? C FMT A 199s mPHE^A 91 16.58 41.47 8.36 16.68 42.37 8.79 18.74 41.67 7.26 18.86 42.76 7.84 17.41 40.96 7.27 16.72 41.15 5.89 3 0 -3.30-999 ?-999 ?-999 ? O2 FMT A 199s mARG^A 92 19.74 41.06 6.62 19.48 40.19 6.21 21.20 42.82 5.59 20.69 42.77 4.46 21.10 41.65 6.56 22.10 40.58 6.14 2 0 -4.56-999 ?-999 ?-999 ? O2 FMT A 199s mGLY.A 93 21.94 43.86 5.97 22.31 43.81 6.89 22.93 44.57 3.76 22.87 45.28 2.77 22.16 44.97 5.03-999.99-999.99-999.99 1 0 8.18-999 ?-999 ?-999 ? O2 FMT A 199 mASP.A 94 23.70 43.49 3.85 23.72 43.14 4.79 23.52 42.35 1.63 23.93 42.21 0.46 24.45 42.85 2.73 25.03 41.51 3.24 2 0 9.58-999 ?-999 ?-999 ? O2 FMT A 199 mSER.A 95 22.30 41.98 2.00 22.09 42.14 2.96 20.92 42.36 -0.06 20.82 43.58 0.14 21.37 41.39 1.02 20.14 40.77 1.72 2 0 7.51-999 ?-999 ?-999 ? O1 FMT A 200 mGLN.A 96 20.67 41.82 -1.24 20.93 40.86 -1.33 18.52 42.49 -2.15 17.96 41.41 -2.23 20.05 42.59 -2.30 20.50 42.05 -3.68 2 0 -4.86-999 ?-999 ?-999 ? O1 FMT A 200s mVAL^A 97 17.86 43.62 -1.90 18.40 44.45 -2.00 15.64 44.48 -2.41 16.04 45.63 -2.68 16.45 43.58 -1.51 16.27 43.98 0.00 3 0 4.14-999 ?-999 ?-999 ? C FMT A 200 mSER^A 98 14.49 43.99 -2.88 14.31 43.03 -2.70 12.16 44.74 -3.08 11.80 43.73 -2.49 13.59 44.87 -3.61 13.65 44.58 -5.11 2 0 -4.37-999 ?-999 ?-999 ? O2 FMT A 200s mCYH^A 99 11.39 45.79 -3.31 11.79 46.48 -3.90 9.05 46.04 -3.86 9.24 46.87 -4.76 10.06 45.90 -2.73 10.02 47.14 -1.84 2 0 7.57-999 ?-999 ?-999 ? O2 FMT A 200 mARG^A 100 7.99 45.24 -3.80 8.03 44.58 -3.05 5.63 45.82 -4.01 5.18 45.15 -3.09 6.86 45.36 -4.75 6.60 44.03 -5.45 2 0 9.47-999 ?-999 ?-999 ? O2 FMT A 200 mLEU^A 101 5.15 47.02 -4.37 5.68 47.50 -5.07 2.76 46.82 -4.41 2.83 46.40 -5.59 3.95 47.57 -3.78 3.87 49.09 -4.03 3 0 12.76-999 ?-999 ?-999 ? C FMT A 188 mILE.A 102 1.73 46.58 -3.60 1.87 46.91 -2.67 -0.71 46.81 -4.06 -1.49 46.83 -5.03 0.50 45.89 -4.07 0.12 44.65 -3.19 3 0 14.81-999 ?-999 ?-999 ? O2 FMT A 198 mTHR.A 103 -0.89 47.55 -2.97 -0.20 47.42 -2.26 -1.54 49.90 -2.63 -2.23 50.69 -2.01 -2.01 48.47 -2.85 -2.92 48.10 -1.67 2 0 17.29-999 ?-999 ?-999 ? O1 FMT A 188 mGLY.A 104 -0.38 50.24 -3.16 0.15 49.47 -3.53 1.06 51.88 -2.09 1.60 50.91 -1.52 0.04 51.62 -3.19-999.99-999.99-999.99 1 0 15.40-999 ?-999 ?-999 ? O1 FMT A 188 mPRO.A 105 1.32 53.18 -1.80 0.70 53.85 -2.21 2.37 52.95 0.48 1.28 52.74 1.02 2.46 53.51 -0.94 2.50 55.05 -0.96 3 0 12.52-999 ?-999 ?-999 ? O1 FMT A 188 mILE^A 106 3.54 52.68 1.04 4.32 52.94 0.47 4.68 52.91 3.15 5.64 53.38 2.55 3.67 52.07 2.36 4.29 50.67 2.22 3 0 10.29-999 ?-999 ?-999 ? O1 FMT A 188 mARG^A 107 4.48 53.03 4.47 3.60 52.67 4.78 5.99 52.53 6.29 5.16 51.78 6.83 5.50 53.62 5.36 4.86 54.75 6.18 2 0 -8.65-999 ?-999 ?-999 ? O1 FMT A 193s mASP^A 108 7.32 52.42 6.45 7.84 53.11 5.93 8.72 52.10 8.43 9.35 53.15 8.20 7.97 51.40 7.30 9.02 50.59 6.53 2 0 6.91-999 ?-999 ?-999 ? O1 FMT A 188 mPHE^A 109 8.60 51.56 9.64 7.88 50.87 9.72 10.78 51.12 10.58 10.74 49.89 10.60 9.48 51.95 10.73 8.80 51.66 12.06 3 0 8.19-999 ?-999 ?-999 ? O2 FMT A 189 mASN^A 110 11.92 51.82 10.43 11.80 52.81 10.51 14.20 51.30 11.33 14.49 52.43 11.77 13.22 51.19 10.16 13.91 51.88 8.96 2 0 4.56-999 ?-999 ?-999 ? O2 FMT A 189s mLEU^A 111 14.73 50.15 11.77 14.27 49.33 11.44 17.05 49.56 11.86 16.93 48.54 11.17 15.88 50.10 12.67 15.63 49.15 13.88 3 0 5.07-999 ?-999 ?-999 ? O2 FMT A 189 mILE^A 112 18.20 50.23 11.94 18.16 51.13 12.38 20.49 49.80 12.44 20.55 50.83 13.13 19.42 49.65 11.40 19.82 50.31 10.05 3 0 -4.52-999 ?-999 ?-999 ? O2 FMT A 189s mTYR^A 113 21.35 48.80 12.58 21.17 47.99 12.03 23.67 48.17 13.03 23.52 47.20 12.25 22.48 48.98 13.52 22.09 48.60 15.00 3 0 7.18-999 ?-999 ?-999 ? C FMT A 192 mSER.A 114 24.84 48.55 13.51 24.78 49.37 14.08 26.30 46.84 14.38 26.48 47.19 15.53 26.10 47.88 13.27 27.23 48.93 13.36 2 0 -3.54-999 ?-999 ?-999 ? C FMT A 192s mPRO.A 115 26.27 45.54 14.05 26.09 45.32 13.08 27.91 44.58 15.70 28.10 44.15 16.85 26.49 44.54 15.10 26.28 43.18 14.38 3 0 -4.21-999 ?-999 ?-999 ? O1 FMT A 192s mGLU.A 116 28.89 45.07 14.95 28.64 45.34 14.02 30.22 46.22 16.67 31.00 46.10 17.66 30.23 45.19 15.54 31.22 45.62 14.45 2 0 -3.66-999 ?-999 ?-999 ? O1 FMT A 192s mARG.A 117 29.38 47.25 16.54 28.78 47.18 15.74 28.28 48.31 18.59 28.44 48.94 19.65 29.35 48.36 17.50 29.25 49.69 16.75 2 0 6.06-999 ?-999 ?-999 ? C FMT A 192 mTYR^A 118 27.18 47.60 18.33 27.21 47.06 17.49 25.39 46.26 19.44 25.19 45.50 18.48 26.02 47.61 19.23 24.92 48.53 18.67 3 0 8.14-999 ?-999 ?-999 ? O1 FMT A 192 mHIS^A 119 25.01 46.02 20.69 25.48 46.59 21.37 22.64 45.65 20.85 22.49 46.88 20.99 24.01 45.01 21.04 24.16 44.51 22.48 3 0 10.41-999 ?-999 ?-999 ? O1 FMT A 192 mALA^A 120 21.64 44.82 20.50 21.87 43.85 20.54 19.24 44.42 20.52 19.41 43.19 20.57 20.33 45.34 20.10 20.27 45.53 18.57 2 0 11.86-999 ?-999 ?-999 ? O1 FMT A 199 mARG^A 121 18.07 45.02 20.75 18.12 46.02 20.73 15.66 45.05 20.41 15.65 46.29 20.47 16.84 44.29 20.99 16.59 44.13 22.50 2 0 11.88-999 ?-999 ?-999 ? O1 FMT A 199 mLEU^A 122 14.70 44.33 19.84 14.89 43.35 19.79 12.28 44.15 19.67 12.31 42.90 19.47 13.48 44.99 19.35 13.58 45.20 17.83 3 0 11.97-999 ?-999 ?-999 ? O1 FMT A 199 mGLN^A 123 11.19 44.79 20.11 11.29 45.78 20.24 8.74 44.94 20.23 8.65 45.97 20.92 9.97 44.04 20.37 10.01 43.47 21.80 2 0 12.99-999 ?-999 ?-999 ? O2 FMT B 198 mTRP^A 124 7.80 44.55 19.39 8.05 43.78 18.80 5.62 44.71 20.51 5.53 43.49 20.74 6.50 45.22 19.38 5.79 45.00 18.05 3 0 11.09-999 ?-999 ?-999 ? O2 FMT B 198 mVAL^A 125 4.98 45.63 21.23 5.12 46.57 20.91 2.81 46.04 22.39 2.57 46.97 21.59 4.15 45.28 22.39 4.88 45.53 23.74 3 0 8.42-999 ?-999 ?-999 ? O1 FMT A 196 mASP.A 126 1.91 45.62 23.28 2.19 44.81 23.80 0.19 46.11 24.90 0.77 45.29 25.62 0.63 46.31 23.45 -0.40 45.76 22.45 2 0 6.37-999 ?-999 ?-999 ? O1 FMT A 196 mGLY.A 127 -0.79 46.90 25.34 -1.13 47.58 24.69 -0.33 47.29 27.71 0.42 48.23 27.44 -1.30 46.75 26.69-999.99-999.99-999.99 1 0 -3.48-999 ?-999 ?-999 ? O2 FMT A 196s mVAL^A 128 -0.32 46.69 28.88 -0.90 45.87 28.93 1.70 46.29 30.08 1.58 45.06 30.06 0.47 47.20 29.99 -0.35 47.19 31.30 3 0 -3.91-999 ?-999 ?-999 ? O2 FMT A 196s mGLN^A 129 2.88 46.92 30.08 2.78 47.91 30.11 5.02 46.74 31.16 4.87 47.90 31.60 4.17 46.21 30.03 4.89 46.52 28.70 2 0 5.91-999 ?-999 ?-999 ? O1 FMT A 196 mARG^A 130 5.93 45.91 31.67 5.87 44.96 31.37 8.20 45.61 32.35 8.12 44.40 32.30 6.93 46.42 32.60 6.49 46.22 34.04 2 0 9.17-999 ?-999 ?-999 ? O1 FMT A 196 mPHE^A 131 9.35 46.28 32.19 9.26 47.27 32.18 11.73 46.24 32.79 11.64 47.45 33.09 10.60 45.54 32.06 10.94 45.34 30.57 3 0 12.09-999 ?-999 ?-999 ? O1 FMT A 196 mPHE^A 132 12.78 45.47 33.10 12.67 44.51 32.86 15.09 45.80 32.73 15.23 44.70 32.16 13.99 45.98 33.72 14.36 45.15 34.95 3 0 15.84-999 ?-999 ?-999 ? O1 FMT A 196 mSER^A 133 15.89 46.83 32.53 15.69 47.63 33.09 18.20 47.51 31.92 18.09 48.66 32.36 16.98 46.72 31.53 16.50 47.20 30.17 2 0 17.26-999 ?-999 ?-999 ? O2 FMT B 199 mTHR.A 134 19.39 46.93 31.68 19.35 45.97 31.43 21.06 48.39 30.53 22.18 48.95 30.48 20.62 47.69 31.81 21.77 46.77 32.21 2 0 17.63-999 ?-999 ?-999 ? O2 FMT B 199 mALA.A 135 20.24 48.32 29.47 19.36 47.88 29.64 21.00 50.35 28.29 20.37 51.11 29.03 20.62 48.85 28.18 19.46 48.68 27.15 2 0 18.58-999 ?-999 ?-999 ? O1 FMT A 192 mGLN.A 136 21.98 50.76 27.50 22.34 50.03 26.92 21.43 53.14 26.96 21.22 54.25 27.50 22.48 52.16 27.52 23.78 52.17 26.70 2 0 17.99-999 ?-999 ?-999 ? C FMT A 192 mTHR^A 137 20.77 52.71 25.88 21.04 51.80 25.57 18.46 52.70 25.11 18.48 51.54 24.68 19.75 53.49 25.20 20.21 53.89 23.79 2 0 17.34-999 ?-999 ?-999 ? O2 FMT A 189 mVAL^A 138 17.35 53.31 25.51 17.51 54.23 25.88 15.14 53.57 24.61 15.02 54.79 24.90 16.03 52.68 25.40 15.41 52.35 26.77 3 0 17.34-999 ?-999 ?-999 ? O2 FMT A 189 mLEU^A 139 14.54 53.01 23.56 14.74 52.04 23.45 12.28 53.19 22.66 12.11 51.96 22.65 13.67 53.79 22.67 14.25 53.79 21.25 3 0 15.10-999 ?-999 ?-999 ? O2 FMT A 189 mVAL^A 140 11.27 54.06 22.65 11.54 55.02 22.67 9.17 54.39 21.51 9.02 55.62 21.58 9.87 53.60 22.63 9.13 53.83 23.96 3 0 13.21-999 ?-999 ?-999 ? O1 FMT A 194 mPHE^A 141 8.79 53.69 20.46 8.95 52.71 20.56 6.70 53.98 19.27 6.30 52.80 19.23 8.20 54.31 19.26 8.88 53.78 17.98 3 0 10.95-999 ?-999 ?-999 ? O1 FMT A 193 mSER^A 142 5.87 55.02 19.34 6.32 55.91 19.34 3.67 54.65 18.10 3.93 55.36 17.11 4.41 54.84 19.42 3.79 56.07 20.15 2 0 8.82-999 ?-999 ?-999 ? O1 FMT A 194 mVAL.A 143 2.72 53.70 18.08 2.71 53.08 18.87 0.35 53.78 17.46 -0.60 53.22 16.87 1.79 53.60 16.98 1.96 52.27 16.15 3 0 8.30-999 ?-999 ?-999 ? O2 FMT A 194 mALA.A 144 0.19 54.56 18.53 1.03 54.97 18.88 -1.26 56.25 19.44 -0.30 57.01 19.43 -1.11 54.77 19.12 -1.25 53.95 20.38 2 0 4.57-999 ?-999 ?-999 ? O2 FMT A 194 mASP.A 145 -2.50 56.67 19.73 -3.22 55.97 19.68 -2.12 58.46 21.43 -1.78 59.61 21.63 -2.69 58.08 20.09 -4.16 58.49 19.98 2 0 -3.79-999 ?-999 ?-999 ? O2 FMT A 194s mGLU.A 146 -2.01 57.50 22.34 -2.38 56.61 22.09 -0.63 56.56 24.12 -1.26 55.57 24.48 -1.37 57.78 23.61 -2.42 58.19 24.65 2 0 -3.83-999 ?-999 ?-999 ? O2 FMT A 194s mVAL^A 147 0.70 56.62 24.13 1.09 57.38 23.62 2.07 56.29 26.05 2.77 57.32 25.94 1.49 55.63 24.84 2.61 55.06 23.90 3 0 5.24-999 ?-999 ?-999 ? O1 FMT A 194 mLYS^A 148 1.81 55.73 27.23 1.22 54.91 27.20 3.64 55.59 28.86 3.68 54.36 28.92 2.36 56.30 28.46 1.35 56.23 29.60 2 0 -7.84-999 ?-999 ?-999 ? O1 FMT A 194s mVAL^A 149 4.69 56.36 29.15 4.53 57.34 29.04 6.80 56.82 30.23 6.99 57.90 29.67 5.94 55.77 29.58 6.74 55.11 28.36 3 0 11.16-999 ?-999 ?-999 ? O1 FMT A 194 mLEU.A 150 7.33 56.46 31.40 7.04 55.56 31.70 7.73 58.75 32.36 8.48 59.74 32.22 8.26 57.31 32.17 9.63 57.31 31.50 3 0 14.79-999 ?-999 ?-999 ? O1 FMT A 194 mGLY.A 151 6.43 58.86 32.63 5.93 57.99 32.62 5.49 60.95 31.65 4.88 62.02 31.73 5.82 60.17 32.91-999.99-999.99-999.99 1 0 14.47-999 ?-999 ?-999 ? O1 FMT A 194 mGLU^A 152 5.87 60.41 30.49 6.37 59.55 30.57 4.35 60.44 28.50 3.91 59.32 28.81 5.56 61.04 29.20 6.77 61.01 28.26 2 0 12.70-999 ?-999 ?-999 ? O1 FMT A 194 mLYS^A 153 3.78 61.22 27.59 4.17 62.14 27.55 3.06 60.91 25.27 3.29 62.02 24.78 2.69 60.76 26.74 1.39 61.51 27.04 2 0 9.65-999 ?-999 ?-999 ? O1 FMT A 194 mLEU^A 154 3.13 59.78 24.58 2.90 58.96 25.11 2.29 59.64 22.27 1.48 58.71 22.41 3.50 59.76 23.17 4.43 58.55 22.88 3 0 8.83-999 ?-999 ?-999 ? O2 FMT A 194 mGLY.A 155 2.20 60.55 21.31 2.88 61.28 21.34 1.63 59.60 19.16 2.66 58.90 19.26 1.19 60.47 20.31-999.99-999.99-999.99 1 0 7.63-999 ?-999 ?-999 ? O2 FMT A 194 mHIS.A 156 0.87 59.63 18.07 0.14 60.32 18.13 2.45 58.98 16.27 2.72 60.08 15.80 1.08 58.76 16.92 -0.04 59.01 15.90 3 0 5.98-999 ?-999 ?-999 ? C FMT A 193 mHIS.A 157 3.30 57.95 16.29 2.91 57.14 16.72 5.70 58.84 16.49 6.85 59.00 16.03 4.68 57.99 15.74 4.72 58.33 14.23 3 0 -5.06-999 ?-999 ?-999 ? C FMT A 193s mASP.A 158 5.33 59.35 17.66 4.35 59.28 17.84 7.26 58.91 19.14 6.90 57.73 19.23 6.30 59.97 18.56 5.61 60.68 19.74 2 0 7.55-999 ?-999 ?-999 ? C FMT A 193 mCYH^A 159 8.42 59.35 19.60 8.54 60.34 19.58 10.11 58.89 21.33 10.66 60.02 21.35 9.42 58.38 20.08 10.44 58.16 18.96 2 0 10.66-999 ?-999 ?-999 ? C FMT A 193 mLEU^A 160 10.08 58.08 22.39 9.53 57.26 22.28 12.23 57.86 23.51 12.45 56.78 22.93 10.81 58.42 23.61 10.07 57.86 24.85 3 0 12.62-999 ?-999 ?-999 ? O2 FMT A 195 mGLN^A 161 13.22 58.60 24.04 12.94 59.49 24.39 15.19 58.29 25.46 15.23 59.43 25.96 14.58 58.08 24.08 15.43 58.77 22.99 2 0 14.54-999 ?-999 ?-999 ? O2 FMT A 195 mVAL^A 162 15.68 57.20 26.06 15.46 56.34 25.60 17.91 57.10 26.92 18.25 56.12 26.26 16.46 57.29 27.30 16.06 56.19 28.32 3 0 17.44-999 ?-999 ?-999 ? O2 FMT A 195 mASP.A 163 18.79 58.01 27.34 18.42 58.73 27.91 21.07 57.82 28.18 20.70 58.34 29.25 20.20 57.92 26.96 20.64 59.19 26.25 2 0 19.10-999 ?-999 ?-999 ? O2 FMT A 195 mGLY.A 164 22.23 57.19 28.00 22.31 56.76 27.09 22.86 56.40 30.29 23.31 56.72 31.38 23.27 57.13 29.04-999.99-999.99-999.99 1 0 21.06-999 ?-999 ?-999 ? C FMT A 192 mASN.A 165 22.01 55.38 30.15 21.68 55.20 29.22 22.81 53.80 31.80 23.52 53.18 30.98 21.62 54.61 31.31 20.45 53.66 31.00 2 0 22.42-999 ?-999 ?-999 ? C FMT A 192 mALA.A 166 23.04 53.80 33.11 22.42 54.36 33.65 23.80 52.10 34.85 24.71 51.58 35.51 24.15 53.02 33.67 25.36 53.94 34.02 2 0 21.35-999 ?-999 ?-999 ? O2 FMT B 199 mGLY.A 167 22.51 51.85 35.10 21.88 52.37 34.52 20.95 50.03 35.57 20.79 49.95 34.35 22.08 50.90 36.13-999.99-999.99-999.99 1 0 17.99-999 ?-999 ?-999 ? O2 FMT B 199 mLEU.A 168 20.14 49.45 36.44 20.35 49.62 37.41 17.77 49.50 35.97 17.26 49.86 37.05 19.02 48.63 35.97 18.84 47.41 36.89 3 0 15.86-999 ?-999 ?-999 ? O2 FMT B 199 mLEU^A 169 17.29 49.88 34.78 17.79 49.52 33.99 14.85 49.96 34.76 14.75 48.90 34.16 16.14 50.77 34.66 16.15 51.47 33.31 3 0 18.65-999 ?-999 ?-999 ? O2 FMT B 199 mASP^A 170 13.88 50.45 35.53 14.14 51.30 35.99 11.55 50.65 34.91 11.24 51.79 35.29 12.57 49.82 35.70 12.26 49.80 37.22 2 0 16.40-999 ?-999 ?-999 ? O1 FMT A 196 mILE^A 171 11.07 50.11 33.79 11.33 49.15 33.65 8.86 50.25 32.71 8.76 49.08 32.36 10.22 50.88 32.87 10.91 51.05 31.48 3 0 13.99-999 ?-999 ?-999 ? O1 FMT A 196 mSER^A 172 7.79 51.03 32.93 7.99 51.93 33.33 5.98 51.32 31.38 6.28 52.51 31.21 6.45 50.58 32.60 5.45 50.86 33.74 2 0 -10.95-999 ?-999 ?-999 ? O1 FMT A 196s mVAL^A 173 5.24 50.63 30.53 5.09 49.69 30.82 3.28 50.78 29.11 2.92 49.63 29.38 4.72 51.22 29.30 5.54 50.75 28.06 3 0 -9.68-999 ?-999 ?-999 ? O1 FMT A 196s mTHR^A 174 2.44 51.70 28.66 2.84 52.61 28.53 0.74 51.81 26.98 0.90 52.98 26.66 1.05 51.38 28.38 0.08 52.04 29.42 2 0 -6.92-999 ?-999 ?-999 ? O1 FMT A 194s mGLY.A 175 0.31 50.88 26.13 0.35 49.95 26.50 0.67 50.57 23.68 1.72 49.97 23.98 -0.17 51.23 24.77-999.99-999.99-999.99 1 0 4.26-999 ?-999 ?-999 ? O1 FMT A 194 mARG.A 176 0.22 50.68 22.43 -0.56 51.30 22.33 2.08 50.66 20.82 2.00 51.81 20.37 0.83 49.94 21.34 -0.17 49.70 20.22 2 0 6.14-999 ?-999 ?-999 ? O1 FMT A 194 mCYH^A 177 3.22 49.98 20.86 3.14 49.02 21.11 5.60 49.60 20.30 5.42 48.38 20.50 4.49 50.63 20.57 4.89 51.50 21.77 2 0 8.96-999 ?-999 ?-999 ? O1 FMT A 194 mCYH^A 178 6.73 50.10 19.79 6.69 51.07 19.57 8.96 49.60 20.63 9.28 50.79 20.78 7.90 49.24 19.60 8.45 49.46 18.18 2 0 12.76-999 ?-999 ?-999 ? O1 FMT A 194 mLEU^A 179 9.51 48.60 21.33 9.11 47.71 21.09 11.90 48.41 21.73 12.07 47.26 21.29 10.58 48.79 22.33 10.34 47.90 23.58 3 0 14.26-999 ?-999 ?-999 ? O1 FMT A 196 mILE^A 180 12.87 49.34 21.71 12.59 50.23 22.09 15.27 49.38 22.22 15.19 50.44 22.88 14.22 49.05 21.17 14.47 49.86 19.88 3 0 13.69-999 ?-999 ?-999 ? O2 FMT A 189 mGLU^A 181 16.23 48.48 22.39 16.16 47.67 21.81 18.61 48.53 22.67 18.81 47.55 21.96 17.29 48.71 23.36 17.18 47.74 24.52 2 0 15.57-999 ?-999 ?-999 ? O2 FMT A 189 mLEU^A 182 19.51 49.49 22.88 19.25 50.19 23.54 21.88 49.82 23.17 21.73 50.78 24.00 20.79 49.50 22.16 20.78 50.54 21.05 3 0 13.62-999 ?-999 ?-999 ? C FMT A 192 mTHR^A 183 22.97 49.06 23.10 22.95 48.38 22.37 25.40 49.08 23.29 25.61 48.10 22.56 24.09 49.23 24.03 24.03 48.13 25.07 2 0 13.53-999 ?-999 ?-999 ? C FMT A 192 mGLN^A 184 26.31 50.04 23.50 26.04 50.77 24.12 28.35 48.70 23.24 28.28 48.28 24.41 27.62 49.95 22.82 28.50 51.19 23.09 2 0 11.69-999 ?-999 ?-999 ? C FMT A 192 mARG.A 185 29.04 48.08 22.30 28.98 48.51 21.39 31.23 47.26 22.93 31.73 48.21 22.33 29.81 46.86 22.61 29.85 45.92 21.42 2 0 10.67-999 ?-999 ?-999 ? O1 FMT A 192 mGLY.A 186 31.84 46.55 23.89 31.25 45.84 24.27 33.89 48.09 23.99 34.50 48.25 22.90 33.24 46.76 24.33-999.99-999.99-999.99 1 0 13.00-999 ?-999 ?-999 ? O1 FMT A 192 mSER.B 2 21.46 27.47 16.92 21.37 27.08 16.00 21.57 26.94 19.38 20.85 25.93 19.22 21.59 28.05 18.31 20.48 29.15 18.56 2 0 12.44-999 ?-999 ?-999 ? O1 FMT A 199 mALA^B 3 22.33 27.09 20.48 22.80 27.97 20.53 21.24 26.12 22.48 21.22 27.06 23.27 22.42 26.01 21.50 23.68 26.14 22.24 2 0 16.12-999 ?-999 ?-999 ? O1 FMT A 199 mILE^B 4 20.28 25.20 22.41 20.44 24.48 21.73 19.16 24.19 24.33 19.49 23.02 24.00 19.09 25.27 23.26 17.78 25.11 22.43 3 0 15.21-999 ?-999 ?-999 ? O2 FMT B 191 mSER^B 5 18.89 24.57 25.58 18.75 25.55 25.67 17.42 23.78 27.36 16.88 24.88 27.38 18.81 23.63 26.70 19.88 23.97 27.71 2 0 13.60-999 ?-999 ?-999 ? C FMT B 189 mVAL^B 6 16.84 22.69 27.86 17.32 21.84 27.67 15.90 22.23 30.01 16.36 21.08 30.14 15.60 22.80 28.61 14.40 22.08 27.95 3 0 10.18-999 ?-999 ?-999 ? C FMT B 189 mTRP^B 7 15.68 23.05 31.04 15.38 23.97 30.77 14.44 22.25 32.90 13.52 23.11 32.93 15.85 22.63 32.43 16.44 23.78 33.29 3 0 11.07-999 ?-999 ?-999 ? O1 FMT B 189 mARG~B 8 14.23 20.99 33.26 15.03 20.38 33.18 12.85 20.66 35.27 13.78 20.22 35.97 12.90 20.58 33.74 12.53 19.17 33.29 2 0 8.55-999 ?-999 ?-999 ? O1 FMT B 189 mALA~B 9 11.77 21.21 35.80 11.04 21.41 35.14 11.75 20.16 38.06 12.21 20.16 39.22 11.72 21.47 37.24 10.45 22.29 37.59 2 0 9.27-999 ?-999 ?-999 ? O1 FMT B 190 mVAL~B 10 11.24 19.09 37.46 10.80 19.32 36.59 12.77 17.38 38.43 12.99 16.67 39.45 11.34 17.72 38.02 10.80 16.66 37.01 3 0 10.11-999 ?-999 ?-999 ? O1 FMT B 190 mASP~B 11 13.75 17.89 37.69 13.44 18.49 36.95 15.86 18.55 38.90 17.05 18.34 39.22 15.15 17.60 37.95 15.93 17.51 36.62 2 0 -12.90-999 ?-999 ?-999 ? O2 FMT B 189s mTYR~B 12 15.19 19.63 39.34 14.25 19.73 39.02 16.08 19.83 41.59 15.24 19.05 41.99 15.87 20.54 40.24 15.05 21.82 40.51 3 0 14.28-999 ?-999 ?-999 ? O1 FMT B 190 mVAL.B 13 17.18 20.14 42.24 17.76 20.81 41.77 17.30 20.63 44.60 17.88 21.70 44.52 17.52 19.55 43.54 18.98 19.11 43.54 3 0 -13.86-999 ?-999 ?-999 ? O2 FMT B 193s mARG^B 14 16.46 20.30 45.57 16.06 19.38 45.47 17.23 21.11 47.74 17.59 20.00 48.18 16.14 21.19 46.68 14.79 20.81 47.26 2 0 10.16-999 ?-999 ?-999 ? O2 FMT B 193 mMET^B 15 17.76 22.26 48.12 17.40 23.06 47.63 18.43 23.27 50.32 18.43 24.50 50.16 18.80 22.34 49.15 20.10 22.75 48.53 2 0 10.16-999 ?-999 ?-999 ? O2 FMT B 193 mPRO^B 16 18.09 22.68 51.49 18.10 21.68 51.48 18.81 24.54 52.99 19.99 24.29 52.80 17.74 23.50 52.66 17.59 22.46 53.77 3 0 7.85-999 ?-999 ?-999 ? O2 FMT B 193 mTRP.B 17 18.38 25.72 53.46 17.39 25.79 53.56 20.11 26.44 55.04 19.61 25.70 55.90 19.33 26.79 53.78 18.58 28.10 54.03 3 0 -6.08-999 ?-999 ?-999 ? O2 FMT B 188s mLYS.B 18 21.33 26.98 55.16 21.62 27.50 54.36 21.34 26.99 57.65 21.36 26.14 58.54 22.16 26.79 56.37 23.37 27.73 56.37 2 0 7.62-999 ?-999 ?-999 ? O2 FMT B 188 mASN.B 19 20.58 28.09 57.71 20.59 28.63 56.87 18.39 27.85 59.08 17.65 28.27 59.97 19.79 28.48 58.90 19.65 30.01 58.94 2 0 7.34-999 ?-999 ?-999 ? O2 FMT B 188 mGLY.B 20 18.02 26.89 58.24 18.67 26.71 57.51 15.44 26.89 57.99 14.35 26.27 58.03 16.73 26.18 58.42-999.99-999.99-999.99 1 0 8.09-999 ?-999 ?-999 ? O2 FMT B 193 mGLY.B 21 15.52 28.14 57.57 16.45 28.51 57.50 13.79 28.85 55.82 13.04 29.74 55.39 14.31 28.90 57.26-999.99-999.99-999.99 1 0 6.04-999 ?-999 ?-999 ? O2 FMT B 193 mGLY^B 22 14.17 27.81 55.08 14.69 27.12 55.59 14.86 26.93 52.86 15.70 26.25 53.44 13.84 27.73 53.65-999.99-999.99-999.99 1 0 -3.64-999 ?-999 ?-999 ? O2 FMT B 193s mSER^B 23 14.77 27.00 51.53 14.10 27.65 51.19 15.72 26.75 49.28 14.96 27.65 48.92 15.62 26.16 50.67 15.07 24.73 50.61 2 0 5.79-999 ?-999 ?-999 ? O2 FMT B 193 mTHR^B 24 16.66 26.24 48.49 17.16 25.46 48.87 16.99 25.66 46.16 17.55 24.61 46.47 16.91 26.81 47.17 18.21 27.63 47.10 2 0 8.15-999 ?-999 ?-999 ? O1 FMT B 199 mGLU^B 25 16.37 25.86 45.00 15.78 26.67 45.00 17.30 25.75 42.78 16.81 26.77 42.30 16.55 24.97 43.84 15.19 24.53 43.28 2 0 9.99-999 ?-999 ?-999 ? O1 FMT B 199 mGLU^B 26 18.51 25.31 42.42 18.83 24.48 42.89 18.73 25.59 40.04 18.45 24.39 39.82 19.27 26.03 41.40 20.76 25.67 41.46 2 0 9.12-999 ?-999 ?-999 ? O1 FMT B 199 mILE^B 27 18.51 26.55 39.15 18.68 27.48 39.48 19.25 26.18 36.84 19.53 25.13 36.22 18.04 26.22 37.78 16.98 27.24 37.26 3 0 10.65-999 ?-999 ?-999 ? O2 FMT B 199 mTHR^B 28 19.96 27.30 36.75 19.63 28.04 37.33 21.92 28.64 36.29 21.49 29.43 37.14 21.11 27.40 35.88 20.67 27.44 34.38 2 0 11.05-999 ?-999 ?-999 ? O2 FMT B 199 mARG^B 29 23.11 28.78 35.72 23.31 28.08 35.04 25.08 29.97 35.02 25.15 29.11 34.13 24.02 29.87 36.08 24.68 29.61 37.44 2 0 -10.33-999 ?-999 ?-999 ? O2 FMT B 199s mASP.B 30 25.92 30.99 35.12 25.74 31.60 35.88 28.09 30.13 34.37 28.14 29.48 35.40 27.02 31.17 34.17 27.63 32.56 34.26 2 0 12.86-999 ?-999 ?-999 ? O2 FMT B 199 mALA.B 31 28.95 30.06 33.37 28.86 30.84 32.74 31.33 29.41 33.56 32.28 28.66 33.31 29.93 29.00 33.15 29.94 28.63 31.66 2 0 16.11-999 ?-999 ?-999 ? O2 FMT B 199 mGLY.B 32 31.47 30.60 34.15 30.62 31.11 34.27 33.29 30.22 35.72 32.54 29.39 36.22 32.80 31.09 34.59-999.99-999.99-999.99 1 0 16.67-999 ?-999 ?-999 ? C FMT B 199 mTHR.B 33 34.55 30.39 36.12 35.04 31.12 35.64 34.85 30.06 38.62 35.00 29.32 39.58 35.13 29.56 37.19 36.66 29.35 37.00 2 0 17.59-999 ?-999 ?-999 ? O1 FMT B 199 mGLY.B 34 34.44 31.33 38.74 34.42 31.83 37.87 35.21 32.12 41.03 35.01 32.01 42.25 34.07 31.93 40.03-999.99-999.99-999.99 1 0 14.95-999 ?-999 ?-999 ? O1 FMT B 199 mLEU.B 35 36.41 32.40 40.51 36.46 32.32 39.52 37.98 34.22 41.01 38.79 34.41 40.09 37.54 32.79 41.37 38.71 31.78 41.22 3 0 17.73-999 ?-999 ?-999 ? O1 FMT B 199 mGLU.B 36 37.43 35.24 41.68 37.83 36.13 41.45 35.12 35.94 42.26 35.24 36.97 41.58 36.35 35.09 42.65 36.83 35.44 44.07 2 0 16.28-999 ?-999 ?-999 ? O1 FMT B 199 mGLY.B 37 33.93 35.50 42.67 33.96 34.69 43.25 32.15 35.45 41.06 32.89 34.97 40.20 32.71 36.16 42.27-999.99-999.99-999.99 1 0 12.83-999 ?-999 ?-999 ? C FMT B 199 mPHE.B 38 30.83 35.34 41.02 30.36 35.80 41.78 29.51 35.60 39.00 29.54 36.81 39.28 30.14 34.60 39.94 29.12 33.63 40.51 3 0 11.08-999 ?-999 ?-999 ? C FMT B 199 mGLY.B 39 28.98 35.15 37.87 28.96 34.16 37.72 26.96 36.32 37.11 26.49 37.46 37.21 28.46 36.12 36.94-999.99-999.99-999.99 1 0 11.47-999 ?-999 ?-999 ? O2 FMT B 199 mTRP^B 40 26.19 35.23 37.08 26.71 34.38 36.95 24.20 33.92 37.59 24.83 32.88 37.29 24.72 35.29 37.22 24.04 35.85 35.94 3 0 8.51-999 ?-999 ?-999 ? O2 FMT B 199 mARG^B 41 23.08 33.90 38.31 22.66 34.79 38.49 21.00 32.81 38.77 20.48 33.88 39.08 22.52 32.67 38.80 22.99 32.35 40.24 2 0 -6.33-999 ?-999 ?-999 ? O2 FMT B 199s mLEU^B 42 20.32 31.74 38.39 20.91 30.98 38.09 18.43 30.56 39.33 18.98 29.44 39.24 18.86 31.69 38.40 18.33 31.42 36.99 3 0 6.32-999 ?-999 ?-999 ? O2 FMT B 199 mSER^B 43 17.46 30.81 40.21 17.04 31.72 40.14 15.62 30.01 41.65 15.02 31.04 41.34 17.06 29.80 41.18 18.01 29.81 42.41 2 0 6.19-999 ?-999 ?-999 ? O2 FMT B 199 mILE^B 44 15.08 29.04 42.38 15.62 28.20 42.40 14.10 29.09 44.57 14.69 28.09 45.00 13.81 29.24 43.08 12.76 28.21 42.64 3 0 7.97-999 ?-999 ?-999 ? O2 FMT B 199 mALA^B 45 13.65 30.08 45.36 13.17 30.80 44.86 12.51 29.75 47.45 11.48 30.31 47.05 13.85 30.07 46.81 14.37 31.42 47.30 2 0 5.53-999 ?-999 ?-999 ? O1 FMT B 187 mASP^B 46 12.50 28.77 48.37 13.36 28.25 48.42 11.60 29.22 50.52 12.59 28.92 51.20 11.35 28.50 49.22 11.23 26.99 49.51 2 0 -3.71-999 ?-999 ?-999 ? O2 FMT B 192s mILE^B 47 10.72 30.17 50.88 9.97 30.31 50.24 9.85 30.38 53.09 8.65 30.50 52.85 10.88 30.92 52.12 10.71 32.44 51.91 3 0 4.68-999 ?-999 ?-999 ? O2 FMT B 193 mGLY.B 48 10.31 29.74 54.16 11.30 29.82 54.32 9.10 29.71 56.33 8.13 29.40 57.02 9.38 28.99 55.02-999.99-999.99-999.99 1 0 -3.29-999 ?-999 ?-999 ? O2 FMT B 193s mGLU.B 49 9.95 30.67 56.65 10.73 30.76 56.04 10.18 32.92 57.65 11.09 33.19 56.86 9.70 31.49 57.84 10.34 30.84 59.07 2 0 6.85-999 ?-999 ?-999 ? O2 FMT B 193 mSER.B 50 9.59 33.85 58.39 8.83 33.54 58.96 11.47 35.32 58.85 11.89 34.51 59.69 10.05 35.23 58.34 9.13 36.16 59.16 2 0 10.17-999 ?-999 ?-999 ? O2 FMT B 193 mGLY^B 51 12.22 36.28 58.33 11.77 36.80 57.60 14.42 37.23 57.73 13.92 37.63 56.66 13.57 36.55 58.78-999.99-999.99-999.99 1 0 8.35-999 ?-999 ?-999 ? O1 FMT B 194 mGLY^B 52 15.71 37.34 58.02 15.97 36.87 58.86 17.07 37.27 55.97 17.12 36.04 56.02 16.64 38.08 57.18-999.99-999.99-999.99 1 0 6.59-999 ?-999 ?-999 ? O1 FMT B 194 mPHE.B 53 17.39 37.97 54.89 17.16 38.94 54.96 19.53 37.52 53.85 20.00 38.51 54.43 18.03 37.35 53.71 17.60 38.12 52.45 3 0 3.40-999 ?-999 ?-999 ? O1 FMT B 188s mSER.B 54 20.29 36.61 53.25 19.80 35.79 52.96 21.99 38.06 52.21 21.18 38.40 51.35 21.73 36.83 53.06 22.37 35.65 52.33 2 0 -3.71-999 ?-999 ?-999 ? O1 FMT B 188s mSER.B 55 23.12 38.71 52.42 23.62 38.42 53.24 24.52 39.21 50.46 25.17 38.17 50.66 23.55 39.75 51.50 24.16 40.92 52.26 2 0 6.86-999 ?-999 ?-999 ? O1 FMT B 188 mPHE.B 56 24.59 39.91 49.33 24.01 40.72 49.34 26.04 40.82 47.70 25.60 41.39 46.68 25.44 39.54 48.20 24.61 38.89 47.09 3 0 -7.77-999 ?-999 ?-999 ? C FMT B 199s mALA.B 57 27.05 41.33 48.43 27.35 40.75 49.19 28.15 42.67 46.66 28.83 41.73 46.21 27.62 42.62 48.10 28.75 43.03 49.14 2 0 11.19-999 ?-999 ?-999 ? C FMT B 199 mGLY.B 58 27.81 43.73 45.95 27.23 44.38 46.44 27.30 43.43 43.49 27.47 43.78 42.30 28.26 43.93 44.56-999.99-999.99-999.99 1 0 12.09-999 ?-999 ?-999 ? C FMT B 199 mTYR.B 59 26.33 42.59 43.86 26.30 42.44 44.85 24.10 42.72 42.83 23.74 43.40 43.80 25.42 41.96 42.90 25.14 40.52 43.29 3 0 8.97-999 ?-999 ?-999 ? C FMT B 199 mGLN^B 60 23.40 42.59 41.71 23.90 42.13 40.98 21.05 41.92 41.68 21.30 40.87 41.11 22.02 43.10 41.58 21.85 43.79 40.22 2 0 8.93-999 ?-999 ?-999 ? O2 FMT B 199 mARG^B 61 19.93 42.09 42.39 19.84 42.99 42.82 17.62 41.47 41.87 17.28 42.67 41.92 18.93 41.02 42.48 18.69 40.66 43.94 2 0 6.32-999 ?-999 ?-999 ? O2 FMT B 199s mVAL^B 62 16.89 40.53 41.28 17.36 39.67 41.08 14.73 39.54 41.38 15.01 38.42 40.90 15.49 40.79 40.96 15.25 41.04 39.43 3 0 7.66-999 ?-999 ?-999 ? O2 FMT B 199 mILE^B 63 13.74 39.71 42.25 13.55 40.66 42.51 11.52 38.71 42.44 11.05 39.83 42.26 13.01 38.54 42.75 13.25 38.29 44.28 3 0 7.23-999 ?-999 ?-999 ? O1 FMT B 187 mTHR^B 64 10.81 37.59 42.31 11.33 36.75 42.43 8.68 36.49 42.73 9.06 35.31 42.62 9.39 37.60 42.01 9.14 37.35 40.52 2 0 9.44-999 ?-999 ?-999 ? O1 FMT B 187 mVAL^B 65 7.62 36.82 43.47 7.44 37.80 43.56 6.15 34.90 43.01 5.49 35.46 42.12 6.81 35.75 44.09 5.71 36.33 45.03 3 0 8.85-999 ?-999 ?-999 ? O1 FMT B 200 mILE^B 66 6.34 33.58 43.05 6.94 33.26 43.79 4.73 31.66 42.65 3.94 31.04 41.91 5.70 32.69 42.06 6.71 31.97 41.11 3 0 7.80-999 ?-999 ?-999 ? O1 FMT B 200 mGLN^B 67 4.77 31.48 43.96 5.50 31.98 44.44 3.54 31.21 45.99 4.46 31.73 46.64 3.80 30.63 44.62 4.35 29.20 44.76 2 0 -4.37-999 ?-999 ?-999 ? O1 FMT B 200s mGLY.B 68 2.29 31.11 46.43 1.68 30.57 45.84 1.31 33.11 47.38 1.43 33.62 46.27 1.87 31.74 47.68-999.99-999.99-999.99 1 0 -3.91-999 ?-999 ?-999 ? O1 FMT B 200s mALA.B 69 0.69 33.73 48.37 0.83 33.31 49.26 0.69 36.22 48.20 0.18 37.30 47.87 -0.12 34.93 48.12 -1.29 34.97 49.14 2 0 7.61-999 ?-999 ?-999 ? O1 FMT B 200 mGLY.B 70 1.94 36.13 48.64 2.22 35.20 48.88 3.42 37.42 50.12 3.09 36.65 51.05 2.81 37.29 48.75-999.99-999.99-999.99 1 0 8.80-999 ?-999 ?-999 ? O1 FMT B 200 mMET^B 71 4.36 38.35 50.22 4.56 38.82 49.36 5.49 40.12 51.51 5.34 40.85 50.51 5.03 38.66 51.48 6.20 37.67 51.74 2 0 10.57-999 ?-999 ?-999 ? O1 FMT B 200 mVAL^B 72 6.03 40.54 52.66 6.09 39.84 53.37 7.99 41.99 53.07 8.54 41.31 53.95 6.48 41.90 52.86 5.75 42.54 54.09 3 0 10.54-999 ?-999 ?-999 ? O1 FMT B 194 mLEU^B 73 8.67 42.81 52.26 8.13 43.23 51.54 10.38 44.36 53.13 9.76 45.38 52.80 10.09 43.04 52.46 10.85 43.05 51.10 3 0 7.44-999 ?-999 ?-999 ? C FMT B 194 mTHR^B 74 11.36 44.37 54.03 11.66 43.47 54.35 13.36 45.68 54.01 14.16 44.80 54.32 11.93 45.60 54.51 11.91 45.65 56.06 2 0 4.41-999 ?-999 ?-999 ? C FMT B 194s mVAL^B 75 13.67 46.73 53.26 12.91 47.38 53.16 15.63 48.13 53.28 15.10 49.25 53.15 14.98 46.91 52.64 14.85 47.19 51.13 3 0 4.36-999 ?-999 ?-999 ? C FMT B 194 mASP.B 76 16.74 47.90 53.97 17.00 46.94 54.00 16.63 49.85 55.51 16.75 51.09 55.49 17.51 48.98 54.62 18.21 49.85 53.59 2 0 -3.52-999 ?-999 ?-999 ? O2 FMT B 194s mGLY.B 77 15.75 49.22 56.26 15.80 48.22 56.20 13.90 51.02 56.42 13.29 51.83 57.13 14.79 49.97 57.10-999.99-999.99-999.99 1 0 -3.82-999 ?-999 ?-999 ? O2 FMT B 194s mGLU.B 78 13.84 51.04 55.07 14.53 50.47 54.63 11.44 51.33 54.67 11.32 50.34 55.39 12.84 51.84 54.32 13.05 51.74 52.82 2 0 -6.85-999 ?-999 ?-999 ? O2 FMT B 194s mGLU.B 79 10.38 51.99 54.19 10.58 52.78 53.61 8.86 50.12 53.99 9.45 49.78 52.96 9.04 51.51 54.57 7.88 52.47 54.19 2 0 9.12-999 ?-999 ?-999 ? O2 FMT B 194 mGLN.B 80 8.08 49.31 54.68 7.75 49.70 55.54 7.24 48.00 52.76 6.56 48.94 52.33 7.75 47.99 54.21 6.68 47.41 55.10 2 0 -8.79-999 ?-999 ?-999 ? C FMT B 194s mARG^B 81 7.60 46.96 52.02 8.21 46.32 52.49 6.45 45.44 50.42 7.00 44.37 50.72 7.14 46.78 50.65 8.31 46.97 49.70 2 0 10.61-999 ?-999 ?-999 ? C FMT B 194 mGLY^B 82 5.22 45.48 49.89 4.89 46.39 49.68 4.80 43.68 48.27 4.81 44.42 47.28 4.45 44.27 49.65-999.99-999.99-999.99 1 0 13.36-999 ?-999 ?-999 ? C FMT B 194 mLEU^B 83 5.09 42.38 48.23 5.12 41.95 49.14 4.20 40.72 46.67 3.98 39.72 47.38 5.32 41.66 46.96 6.69 40.91 46.99 3 0 12.57-999 ?-999 ?-999 ? O1 FMT B 187 mLEU.B 84 3.44 41.04 45.62 3.69 41.89 45.16 2.82 39.20 44.15 3.89 39.39 43.57 2.33 40.21 45.19 1.22 41.08 44.58 3 0 12.21-999 ?-999 ?-999 ? O1 FMT B 200 mPRO.B 85 2.03 38.15 43.90 1.17 38.10 44.40 2.78 37.82 41.55 1.99 38.66 41.07 2.50 37.19 42.90 1.33 36.21 42.79 3 0 10.37-999 ?-999 ?-999 ? O1 FMT B 200 mLEU.B 86 3.90 37.40 40.95 4.41 36.76 41.52 4.70 39.29 39.49 4.81 39.81 38.38 4.35 37.82 39.62 3.39 37.36 38.52 3 0 12.81-999 ?-999 ?-999 ? O1 FMT B 200 mGLN.B 87 4.95 39.97 40.63 4.82 39.46 41.48 6.88 41.42 40.80 7.33 41.21 41.94 5.38 41.37 40.56 4.65 42.22 41.62 2 0 13.26-999 ?-999 ?-999 ? C FMT A 196 mPRO.B 88 7.68 41.66 39.74 7.24 41.84 38.85 9.61 42.80 40.87 9.05 43.91 40.85 9.12 41.65 39.97 9.69 41.74 38.54 3 0 12.67-999 ?-999 ?-999 ? O1 FMT B 187 mPHE^B 89 10.64 42.54 41.68 10.99 41.61 41.60 12.69 43.54 42.54 13.31 42.49 42.84 11.17 43.56 42.59 10.71 43.35 44.04 3 0 11.36-999 ?-999 ?-999 ? O1 FMT B 187 mALA^B 90 13.27 44.67 42.18 12.62 45.41 41.98 15.35 45.45 43.32 14.83 46.45 43.81 14.74 44.80 42.07 15.10 45.64 40.86 2 0 11.12-999 ?-999 ?-999 ? O2 FMT B 199 mPHE^B 91 16.46 44.89 43.81 16.72 44.03 43.38 18.67 45.15 44.87 19.05 44.14 44.27 17.20 45.53 44.91 16.60 45.16 46.27 3 0 10.94-999 ?-999 ?-999 ? O2 FMT B 199 mARG^B 92 19.50 45.96 45.53 19.05 46.74 45.97 21.28 44.56 46.54 20.67 44.45 47.61 20.94 45.69 45.57 21.73 46.95 45.95 2 0 10.81-999 ?-999 ?-999 ? C FMT B 199 mGLY.B 93 22.26 43.73 46.16 22.63 43.91 45.24 23.38 43.22 48.31 23.43 42.51 49.32 22.72 42.65 47.03-999.99-999.99-999.99 1 0 8.43-999 ?-999 ?-999 ? C FMT B 199 mASP.B 94 23.84 44.48 48.23 23.69 44.84 47.31 23.48 45.51 50.47 23.86 45.76 51.64 24.48 45.26 49.34 24.81 46.69 48.87 2 0 11.12-999 ?-999 ?-999 ? O2 FMT B 194 mSER.B 95 22.21 45.54 50.10 22.03 45.23 49.16 20.93 44.98 52.13 21.07 43.78 51.94 21.18 45.99 51.04 19.85 46.29 50.32 2 0 7.55-999 ?-999 ?-999 ? O2 FMT B 194 mGLN.B 96 20.51 45.48 53.29 20.50 46.48 53.36 18.61 44.41 54.19 17.88 45.40 54.16 20.12 44.58 54.36 20.49 45.20 55.72 2 0 -4.90-999 ?-999 ?-999 ? O2 FMT B 194s mVAL^B 97 18.17 43.16 54.05 18.85 42.45 54.23 16.22 41.84 54.56 16.89 40.87 54.90 16.79 42.88 53.65 16.70 42.38 52.16 3 0 4.03-999 ?-999 ?-999 ? C FMT B 194 mSER^B 98 14.97 42.01 54.99 14.54 42.90 54.80 12.88 40.78 55.18 12.29 41.73 54.65 14.31 40.94 55.68 14.39 41.12 57.21 2 0 -4.26-999 ?-999 ?-999 ? O1 FMT B 194s mCYH^B 99 12.35 39.59 55.36 12.93 38.98 55.90 10.11 38.82 55.96 10.48 38.05 56.88 11.07 39.20 54.83 11.31 37.97 53.94 2 0 7.49-999 ?-999 ?-999 ? O1 FMT B 194 mARG^B 100 8.89 39.34 55.89 8.75 40.01 55.17 6.75 38.21 56.05 6.12 38.75 55.12 7.85 38.94 56.81 7.31 40.17 57.60 2 0 9.56-999 ?-999 ?-999 ? O1 FMT B 194 mLEU^B 101 6.57 36.93 56.37 7.22 36.56 57.04 4.21 36.60 56.42 4.21 36.95 57.62 5.52 36.15 55.77 5.78 34.64 55.92 3 0 10.33-999 ?-999 ?-999 ? O2 FMT B 192 mILE.B 102 3.15 36.72 55.62 3.37 36.50 54.67 0.90 35.94 56.03 0.23 35.61 57.02 1.81 37.14 56.08 1.15 38.24 55.21 3 0 11.67-999 ?-999 ?-999 ? O1 FMT B 200 mTHR.B 103 0.86 35.26 54.88 1.41 35.62 54.14 0.85 32.78 54.67 0.45 31.82 54.05 0.03 34.04 54.80 -1.00 34.11 53.68 2 0 9.28-999 ?-999 ?-999 ? O1 FMT B 200 mGLY.B 104 2.01 32.75 55.30 2.29 33.59 55.75 3.68 31.43 54.05 3.95 32.45 53.39 2.77 31.52 55.28-999.99-999.99-999.99 1 0 7.52-999 ?-999 ?-999 ? O1 FMT B 200 mPRO.B 105 4.15 30.21 53.76 3.63 29.45 54.15 5.15 30.54 51.51 4.04 30.55 50.97 5.33 30.01 52.92 5.51 28.48 52.92 3 0 -4.31-999 ?-999 ?-999 ? O2 FMT B 192s mILE^B 106 6.25 30.99 50.94 7.07 30.87 51.51 7.38 30.91 48.82 8.41 30.52 49.41 6.27 31.59 49.62 6.63 33.08 49.75 3 0 -3.92-999 ?-999 ?-999 ? O1 FMT B 200s mARG^B 107 7.18 30.80 47.50 6.24 30.94 47.20 8.59 31.72 45.72 7.63 32.32 45.22 8.32 30.50 46.61 8.02 29.27 45.75 2 0 -4.78-999 ?-999 ?-999 ? O2 FMT B 192s mASP^B 108 9.86 32.06 45.54 10.49 31.46 46.02 11.17 32.73 43.57 12.03 31.85 43.76 10.31 33.21 44.73 11.19 34.12 45.54 2 0 6.87-999 ?-999 ?-999 ? O1 FMT B 187 mPHE^B 109 10.97 33.33 42.40 10.14 33.89 42.38 12.99 34.22 41.37 12.70 35.42 41.40 11.91 33.16 41.27 11.12 33.24 39.95 3 0 8.10-999 ?-999 ?-999 ? O2 FMT B 199 mASN^B 110 14.26 33.78 41.50 14.37 32.80 41.36 16.38 34.80 40.67 16.94 33.78 40.22 15.38 34.67 41.81 16.18 34.09 42.99 2 0 4.51-999 ?-999 ?-999 ? O2 FMT B 199s mLEU^B 111 16.61 36.03 40.21 15.93 36.70 40.49 18.78 37.11 40.19 18.44 38.09 40.88 17.77 36.35 39.37 17.33 37.20 38.17 3 0 4.98-999 ?-999 ?-999 ? O2 FMT B 199 mILE^B 112 20.05 36.70 40.12 20.19 35.82 39.68 22.25 37.65 39.65 22.59 36.63 39.00 21.11 37.55 40.66 21.58 37.03 42.02 3 0 -4.50-999 ?-999 ?-999 ? O2 FMT B 199s mTYR^B 113 22.79 38.86 39.44 22.38 39.61 39.96 24.87 40.06 38.94 24.49 40.94 39.72 23.92 38.99 38.49 23.40 39.30 37.06 3 0 8.13-999 ?-999 ?-999 ? O2 FMT B 199 mSER.B 114 26.11 40.01 38.44 26.27 39.19 37.88 27.00 42.13 37.59 27.24 41.83 36.42 27.11 41.06 38.67 28.52 40.44 38.61 2 0 11.09-999 ?-999 ?-999 ? C FMT B 199 mPRO.B 115 26.64 43.37 37.97 26.44 43.50 38.94 27.90 44.78 36.35 27.93 45.34 35.25 26.55 44.42 36.98 25.98 45.62 37.77 3 0 13.77-999 ?-999 ?-999 ? O2 FMT B 199 mGLU.B 116 29.00 44.48 37.03 28.83 44.11 37.95 30.57 43.71 35.30 31.22 44.08 34.34 30.34 44.67 36.46 31.42 44.42 37.52 2 0 16.35-999 ?-999 ?-999 ? C FMT B 199 mARG.B 117 30.01 42.51 35.39 29.37 42.40 36.15 29.24 41.22 33.34 29.56 40.72 32.26 30.32 41.46 34.42 30.64 40.18 35.16 2 0 15.86-999 ?-999 ?-999 ? O2 FMT B 199 mTYR^B 118 27.99 41.58 33.65 27.90 42.04 34.53 25.92 42.44 32.54 25.52 43.13 33.50 26.87 41.30 32.74 26.05 40.12 33.28 3 0 14.85-999 ?-999 ?-999 ? O2 FMT B 199 mHIS^B 119 25.50 42.60 31.28 26.11 42.22 30.59 23.07 42.34 31.18 23.22 41.11 31.04 24.24 43.29 30.98 24.24 43.82 29.57 3 0 16.13-999 ?-999 ?-999 ? O2 FMT B 199 mALA^B 120 21.91 42.90 31.55 21.92 43.90 31.52 19.46 42.78 31.52 19.37 44.03 31.45 20.75 42.10 31.94 20.74 41.88 33.48 2 0 14.00-999 ?-999 ?-999 ? O2 FMT B 199 mARG^B 121 18.44 41.94 31.29 18.70 40.98 31.27 16.15 41.35 31.66 16.44 40.14 31.60 17.07 42.39 31.07 16.79 42.50 29.57 2 0 15.01-999 ?-999 ?-999 ? O2 FMT B 199 mLEU^B 122 15.03 41.79 32.22 14.92 42.79 32.26 12.65 41.41 32.46 12.42 42.60 32.68 14.05 40.85 32.74 14.26 40.66 34.27 3 0 13.70-999 ?-999 ?-999 ? O2 FMT B 199 mGLN^B 123 11.74 40.55 32.01 12.06 39.62 31.83 9.39 39.83 31.91 9.56 38.81 31.23 10.37 41.01 31.79 10.28 41.63 30.40 2 0 11.81-999 ?-999 ?-999 ? O1 FMT A 196 mTRP^B 124 8.36 39.97 32.74 8.41 40.79 33.32 6.27 39.32 31.68 5.94 40.50 31.48 7.27 39.00 32.79 6.57 39.08 34.15 3 0 9.99-999 ?-999 ?-999 ? O1 FMT A 196 mVAL^B 125 5.80 38.29 30.96 6.10 37.39 31.29 3.82 37.47 29.77 3.83 36.49 30.55 4.94 38.50 29.79 5.71 38.43 28.43 3 0 7.58-999 ?-999 ?-999 ? O1 FMT A 196 mASP.B 126 2.85 37.66 28.86 2.91 38.50 28.31 1.29 36.74 27.31 1.65 37.66 26.55 1.78 36.68 28.73 0.67 36.97 29.74 2 0 -5.18-999 ?-999 ?-999 ? C FMT B 196s mGLY.B 127 0.49 35.77 26.90 0.34 35.05 27.58 0.96 35.51 24.51 1.98 34.87 24.79 -0.10 35.80 25.56-999.99-999.99-999.99 1 0 3.39-999 ?-999 ?-999 ? O1 FMT B 196s mVAL^B 128 0.77 36.04 23.31 -0.05 36.61 23.24 2.73 36.93 22.11 2.36 38.11 22.10 1.70 35.80 22.21 0.91 35.64 20.87 3 0 -4.07-999 ?-999 ?-999 ? C FMT B 198s mGLN^B 129 4.02 36.59 22.11 4.17 35.60 22.12 6.11 37.22 21.03 6.26 36.03 20.66 5.11 37.58 22.10 5.88 37.58 23.43 2 0 6.65-999 ?-999 ?-999 ? O2 FMT B 198 mARG^B 130 6.82 38.22 20.54 6.56 39.13 20.87 8.94 39.06 19.82 8.58 40.25 19.84 7.90 37.98 19.59 7.39 38.09 18.15 2 0 7.86-999 ?-999 ?-999 ? C FMT B 191 mPHE^B 131 10.18 38.68 19.98 10.32 37.69 19.98 12.48 39.28 19.36 12.68 38.08 19.05 11.24 39.67 20.13 11.54 39.92 21.63 3 0 10.40-999 ?-999 ?-999 ? O2 FMT B 191 mPHE^B 132 13.31 40.29 19.04 12.97 41.19 19.29 15.66 40.49 19.36 15.54 41.59 19.95 14.61 40.06 18.38 14.78 40.87 17.08 3 0 8.45-999 ?-999 ?-999 ? O1 FMT A 199 mSER^B 133 16.68 39.66 19.53 16.66 38.82 18.99 19.09 39.50 20.08 19.21 38.35 19.63 17.73 40.02 20.48 17.39 39.48 21.88 2 0 9.58-999 ?-999 ?-999 ? O1 FMT A 199 mTHR.B 134 20.12 40.33 20.32 19.87 41.25 20.63 22.11 39.33 21.44 23.32 39.01 21.45 21.50 39.92 20.16 22.39 41.13 19.75 2 0 9.72-999 ?-999 ?-999 ? O1 FMT A 199 mALA.B 135 21.33 39.22 22.51 20.37 39.44 22.35 22.53 37.41 23.68 22.07 36.55 22.92 21.87 38.79 23.80 20.78 38.76 24.88 2 0 13.11-999 ?-999 ?-999 ? O1 FMT A 199 mGLN.B 136 23.61 37.22 24.43 23.87 37.99 25.01 23.53 34.80 24.98 23.59 33.65 24.49 24.33 35.93 24.38 25.60 36.03 25.18 2 0 14.56-999 ?-999 ?-999 ? O1 FMT A 199 mTHR^B 137 22.81 35.11 26.06 22.87 36.06 26.34 20.58 34.59 26.89 20.35 35.73 27.29 22.00 34.08 26.74 22.58 33.78 28.13 2 0 16.36-999 ?-999 ?-999 ? O1 FMT A 199 mVAL^B 138 19.63 33.76 26.50 19.98 32.91 26.09 17.56 32.97 27.48 17.73 31.77 27.17 18.21 34.07 26.67 17.48 34.23 25.30 3 0 15.89-999 ?-999 ?-999 ? O2 FMT B 191 mLEU^B 139 16.79 33.35 28.51 16.68 34.34 28.62 14.65 32.65 29.36 14.19 33.82 29.35 16.17 32.40 29.39 16.67 32.56 30.84 3 0 15.02-999 ?-999 ?-999 ? O2 FMT B 199 mVAL^B 140 13.90 31.57 29.33 14.42 30.72 29.28 11.95 30.76 30.48 12.04 29.53 30.38 12.43 31.65 29.36 11.76 31.19 28.00 3 0 13.18-999 ?-999 ?-999 ? O2 FMT B 197 mPHE^B 141 11.38 31.37 31.53 11.28 32.36 31.43 9.43 30.58 32.77 8.81 31.64 32.88 10.96 30.60 32.71 11.54 31.28 33.98 3 0 11.95-999 ?-999 ?-999 ? O1 FMT B 190 mSER^B 142 8.84 29.38 32.72 9.48 28.62 32.73 6.68 29.25 34.02 7.15 28.65 34.98 7.39 29.21 32.66 7.07 27.86 32.00 2 0 8.48-999 ?-999 ?-999 ? C FMT B 197 mVAL.B 143 5.54 29.95 34.08 5.36 30.54 33.29 3.30 29.35 34.77 2.28 29.73 35.35 4.66 29.82 35.24 4.58 31.13 36.11 3 0 7.88-999 ?-999 ?-999 ? C FMT B 197 mALA.B 144 3.26 28.52 33.73 4.15 28.27 33.36 2.07 26.60 32.83 3.18 26.05 32.74 1.98 28.06 33.21 1.58 28.90 32.02 2 0 -4.38-999 ?-999 ?-999 ? C FMT B 197s mASP.B 145 0.93 25.96 32.59 0.09 26.50 32.71 1.70 24.31 30.87 2.32 23.26 30.67 0.97 24.54 32.20 -0.44 23.96 32.11 2 0 3.43-999 ?-999 ?-999 ? C FMT B 190s mGLU.B 146 1.61 25.27 29.96 1.05 26.06 30.22 2.75 26.50 28.14 1.92 27.35 27.77 2.29 25.13 28.68 1.38 24.45 27.66 2 0 -3.83-999 ?-999 ?-999 ? O1 FMT B 197s mVAL^B 147 4.05 26.71 28.12 4.59 26.02 28.61 5.35 27.30 26.21 6.19 26.38 26.32 4.62 27.86 27.44 5.59 28.61 28.35 3 0 5.05-999 ?-999 ?-999 ? O2 FMT B 197 mLYS^B 148 5.00 27.82 25.03 4.32 28.54 25.10 6.67 28.30 23.33 6.43 29.52 23.27 5.58 27.35 23.77 4.51 27.28 22.67 2 0 -7.57-999 ?-999 ?-999 ? O2 FMT B 197s mVAL^B 149 7.87 27.76 23.06 7.92 26.77 23.16 10.02 27.70 21.98 10.40 26.64 22.50 8.99 28.59 22.66 9.63 29.37 23.86 3 0 8.09-999 ?-999 ?-999 ? C FMT B 191 mLEU.B 150 10.40 28.13 20.77 9.90 28.94 20.46 11.21 25.98 19.80 12.16 25.18 19.88 11.43 27.48 19.96 12.82 27.79 20.55 3 0 7.33-999 ?-999 ?-999 ? O2 FMT B 191 mGLY.B 151 9.95 25.58 19.59 9.28 26.33 19.61 9.47 23.34 20.59 9.13 22.15 20.48 9.60 24.19 19.35-999.99-999.99-999.99 1 0 8.66-999 ?-999 ?-999 ? C FMT B 191 mGLU^B 152 9.71 23.94 21.77 9.97 24.91 21.71 8.35 23.63 23.78 7.72 24.69 23.49 9.61 23.22 23.04 10.84 23.47 23.92 2 0 7.58-999 ?-999 ?-999 ? C FMT B 189 mLYS^B 153 7.95 22.78 24.72 8.50 21.94 24.78 7.25 22.99 27.03 7.72 21.95 27.52 6.81 23.05 25.57 5.70 22.02 25.31 2 0 -4.79-999 ?-999 ?-999 ? C FMT B 189s mLEU^B 154 7.10 24.11 27.73 6.67 24.86 27.22 6.34 24.17 30.03 5.39 24.96 29.88 7.53 24.22 29.10 8.24 25.57 29.29 3 0 4.73-999 ?-999 ?-999 ? O1 FMT B 189 mGLY.B 155 6.38 23.26 31.00 7.14 22.60 30.92 5.80 24.13 33.23 6.77 24.92 33.10 5.41 23.22 32.09-999.99-999.99-999.99 1 0 3.73-999 ?-999 ?-999 ? O1 FMT B 190 mHIS.B 156 5.05 24.07 34.34 4.33 23.38 34.33 6.72 24.90 35.97 7.19 23.83 36.36 5.29 24.99 35.47 4.34 24.74 36.66 3 0 -3.97-999 ?-999 ?-999 ? O1 FMT B 190s mHIS.B 157 7.43 26.02 35.90 6.92 26.74 35.42 9.88 25.53 35.65 11.04 25.60 36.06 8.78 26.20 36.44 8.89 25.83 37.92 3 0 7.51-999 ?-999 ?-999 ? O1 FMT B 190 mASP.B 158 9.54 24.99 34.47 8.55 24.91 34.31 11.18 25.84 32.88 10.51 26.92 32.84 10.56 24.57 33.50 9.94 23.69 32.39 2 0 7.94-999 ?-999 ?-999 ? O1 FMT B 189 mCYH^B 159 12.42 25.73 32.42 12.81 24.80 32.47 13.90 26.55 30.62 14.66 25.59 30.64 13.13 26.91 31.88 14.13 27.38 32.95 2 0 10.59-999 ?-999 ?-999 ? O1 FMT B 189 mLEU^B 160 13.71 27.31 29.54 13.00 28.00 29.64 15.63 28.12 28.36 15.48 29.26 28.86 14.47 27.13 28.32 13.57 27.40 27.11 3 0 11.50-999 ?-999 ?-999 ? C FMT B 189 mGLN^B 161 16.81 27.68 27.91 16.79 26.72 27.61 18.62 28.46 26.47 18.84 27.35 25.94 18.00 28.53 27.86 19.02 28.08 28.88 2 0 15.11-999 ?-999 ?-999 ? C FMT B 189 mVAL^B 162 18.85 29.62 25.87 18.46 30.42 26.34 20.99 30.24 25.03 21.08 31.24 25.77 19.62 29.68 24.63 18.99 30.63 23.57 3 0 15.31-999 ?-999 ?-999 ? O2 FMT B 191 mASP^B 163 22.07 29.60 24.57 21.85 28.84 23.96 24.25 30.26 23.68 23.93 29.68 22.65 23.45 30.03 24.94 24.22 28.91 25.63 2 0 16.55-999 ?-999 ?-999 ? O1 FMT A 199 mGLY.B 164 25.30 31.06 23.80 25.36 31.52 24.68 25.69 31.92 21.49 26.19 31.78 20.38 26.26 31.24 22.70-999.99-999.99-999.99 1 0 15.38-999 ?-999 ?-999 ? O1 FMT A 199 mASN.B 165 24.64 32.70 21.68 24.26 32.71 22.61 25.07 34.55 20.09 25.62 35.30 20.92 24.11 33.47 20.58 22.78 34.10 20.97 2 0 11.78-999 ?-999 ?-999 ? O1 FMT A 199 mALA.B 166 25.25 34.62 18.76 24.72 33.96 18.23 25.56 36.38 16.96 26.31 37.04 16.24 26.14 35.58 18.16 27.44 34.89 17.76 2 0 10.63-999 ?-999 ?-999 ? O1 FMT A 199 mGLY.B 167 24.26 36.32 16.75 23.80 35.65 17.34 22.28 37.69 16.36 22.16 37.79 17.52 23.57 37.13 15.78-999.99-999.99-999.99 1 0 6.93-999 ?-999 ?-999 ? O1 FMT A 199 mLEU.B 168 21.32 37.99 15.52 21.54 37.86 14.55 19.02 37.36 16.04 18.57 36.92 15.03 20.04 38.48 15.99 19.53 39.61 15.11 3 0 5.11-999 ?-999 ?-999 ? O1 FMT A 199 mLEU^B 169 18.67 36.93 17.23 19.14 37.40 17.97 16.30 36.40 17.29 16.01 37.41 17.80 17.70 35.88 17.43 17.84 35.34 18.84 3 0 6.55-999 ?-999 ?-999 ? O1 FMT A 199 mASP^B 170 15.43 35.65 16.63 15.85 34.82 16.26 13.23 34.93 17.18 13.20 33.83 16.77 14.03 35.98 16.44 13.72 35.95 14.96 2 0 7.06-999 ?-999 ?-999 ? O1 FMT A 199 mILE^B 171 12.63 35.29 18.29 12.66 36.28 18.46 10.55 34.70 19.47 10.27 35.75 19.87 12.00 34.36 19.19 12.74 34.28 20.55 3 0 6.66-999 ?-999 ?-999 ? O2 FMT B 191 mSER^B 172 9.68 33.76 19.20 10.06 32.97 18.71 8.03 33.01 20.81 8.55 31.94 20.94 8.30 33.85 19.58 7.43 33.30 18.49 2 0 5.05-999 ?-999 ?-999 ? C FMT B 191s mVAL^B 173 7.18 33.51 21.68 6.81 34.41 21.44 5.32 32.89 23.10 4.75 33.95 22.87 6.83 32.78 22.89 7.52 33.40 24.14 3 0 -7.67-999 ?-999 ?-999 ? C FMT B 191s mTHR^B 174 4.66 31.81 23.52 5.22 30.98 23.58 3.06 31.36 25.27 3.52 30.25 25.60 3.24 31.89 23.87 2.37 31.06 22.88 2 0 -5.03-999 ?-999 ?-999 ? O1 FMT B 196s mGLY.B 175 2.44 32.17 26.12 2.24 33.06 25.72 2.75 32.62 28.58 3.60 33.47 28.30 2.11 31.77 27.50-999.99-999.99-999.99 1 0 -3.61-999 ?-999 ?-999 ? O1 FMT B 196s mARG.B 176 2.35 32.38 29.83 1.73 31.61 29.92 4.21 32.79 31.39 4.41 31.65 31.81 2.80 33.20 30.97 1.84 33.03 32.15 2 0 5.16-999 ?-999 ?-999 ? O2 FMT B 196 mCYH^B 177 5.17 33.70 31.28 4.87 34.61 30.99 7.40 34.60 31.83 6.94 35.74 31.61 6.56 33.35 31.57 7.13 32.54 30.37 2 0 8.82-999 ?-999 ?-999 ? O2 FMT B 196 mCYH^B 178 8.63 34.40 32.29 8.84 33.45 32.50 10.68 35.37 31.43 11.23 34.27 31.20 9.57 35.48 32.47 10.17 35.42 33.90 2 0 12.25-999 ?-999 ?-999 ? O2 FMT B 196 mLEU^B 179 10.95 36.46 30.73 10.36 37.23 30.96 13.25 37.18 30.35 13.15 38.32 30.82 12.02 36.51 29.74 11.56 37.36 28.53 3 0 14.17-999 ?-999 ?-999 ? O1 FMT B 196 mILE^B 180 14.40 36.52 30.34 14.36 35.60 29.95 16.68 37.07 29.78 16.80 36.05 29.06 15.62 37.13 30.86 16.11 36.42 32.14 3 0 13.71-999 ?-999 ?-999 ? O2 FMT B 199 mGLU^B 181 17.45 38.15 29.64 17.24 38.91 30.25 19.80 38.63 29.35 19.79 39.60 30.11 18.51 38.17 28.67 18.19 39.15 27.55 2 0 15.56-999 ?-999 ?-999 ? O2 FMT B 199 mLEU^B 182 20.88 37.95 29.08 20.75 37.24 28.38 23.28 38.23 28.76 23.36 37.31 27.92 22.16 38.24 29.77 22.41 37.22 30.87 3 0 14.74-999 ?-999 ?-999 ? O2 FMT B 199 mTHR^B 183 24.17 39.21 28.86 23.96 39.85 29.59 26.57 39.77 28.74 26.50 40.77 29.47 25.34 39.31 27.96 25.06 40.31 26.82 2 0 17.53-999 ?-999 ?-999 ? O2 FMT B 199 mGLN^B 184 27.68 39.05 28.56 27.58 38.24 27.98 29.37 40.80 28.71 29.22 41.14 27.53 28.95 39.43 29.18 30.06 38.44 28.80 2 0 18.09-999 ?-999 ?-999 ? O2 FMT B 199 mARG.B 185 29.89 41.61 29.62 29.87 41.26 30.56 31.90 42.64 28.97 32.53 43.22 28.08 30.42 42.91 29.23 30.23 43.92 30.36 2 0 17.44-999 ?-999 ?-999 ? O1 FMT A 192 mGLY.B 186 32.41 41.77 29.83 31.88 41.75 30.68 33.46 39.84 30.74 32.57 39.93 31.64 33.58 40.91 29.65-999.99-999.99-999.99 1 0 18.73-999 ?-999 ?-999 ? O1 FMT A 192