HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-09 3HLZ COMPND UNCHARACTERIZED PROTEIN BT_1490; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; SOURCE 3 ORGANISM_TAXID: 226186; SOURCE 4 GENE: BT_1480, NP_810393.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 15 8 HET MSE A 85 8 HET MSE A 217 8 HET MSE A 242 13 HET MSE B 1 8 HET MSE B 15 8 HET MSE B 85 8 HET MSE B 217 8 HET MSE B 242 13 HET GOL A 269 6 HET GOL A 270 6 HET GOL A 271 6 HET ACT A 272 4 HET ACT A 273 4 HET GOL B 269 6 HET ACT B 270 4 HET ACT B 271 4 HET CA B 272 1 SITE 1 AC1 7 ASN A 22 GLU A 23 ILE A 150 HOH A 280 SITE 1 AC2 7 ASN A 51 ALA A 52 ASN B 22 GLU B 23 SITE 1 AC3 5 ILE A 150 ASN A 154 TRP A 219 SER B 53 SITE 1 AC4 4 ARG A 227 VAL A 229 MSE A 242 HOH A 490 SITE 1 AC5 3 ILE A 239 ASP A 240 LYS A 243 SITE 1 AC6 8 MSE B 1 GLN B 2 ASN B 16 TYR B 17 SITE 1 AC7 4 LEU B 200 ARG B 227 VAL B 229 HOH B 433 SITE 1 AC8 4 THR B 238 ILE B 239 ASP B 240 LYS B 243 SITE 1 AC9 6 MSE B 1 GOL B 269 HOH B 377 HOH B 378 mMETA 1 35.87 64.09 8.16 36.04 63.32 8.77 34.93 64.85 5.93 34.03 65.53 5.45 35.62 65.26 7.25 36.94 66.00 6.99 2 0 17.03-999 ?-999 ?-999 ? O2 GOL A 269 mGLN.A 2 35.36 63.74 5.32 36.13 63.30 5.78 33.41 62.49 4.40 32.53 62.37 3.53 34.72 63.24 4.10 35.67 62.29 3.37 2 0 15.72-999 ?-999 ?-999 ? O2 GOL A 269 mGLY.A 3 33.25 62.02 5.64 34.01 62.19 6.26 32.04 59.83 5.61 33.11 59.19 5.51 32.04 61.30 6.03-999.99-999.99-999.99 1 0 12.04-999 ?-999 ?-999 ? O2 GOL A 269 mLYS^A 4 30.83 59.30 5.41 30.07 59.94 5.55 30.03 57.89 3.64 29.12 58.66 3.33 30.64 57.92 5.04 29.62 57.29 5.99 2 0 9.27-999 ?-999 ?-999 ? O2 GOL A 269 mLYS^A 5 30.51 56.97 2.79 31.27 56.43 3.15 28.77 55.83 1.47 28.89 54.78 2.06 29.96 56.81 1.46 31.04 56.27 0.51 2 0 10.56-999 ?-999 ?-999 ? O2 GOL A 269 mPHE^A 6 27.73 56.18 0.73 27.80 57.10 0.36 26.49 55.14 -1.02 26.52 56.14 -1.74 26.60 55.29 0.50 25.34 55.91 1.08 3 0 9.54-999 ?-999 ?-999 ? O2 GOL A 269 mILE^A 7 26.36 53.90 -1.46 26.51 53.20 -0.75 24.67 52.82 -2.77 24.53 51.86 -1.99 26.01 53.58 -2.82 27.11 52.72 -3.50 3 0 12.35-999 ?-999 ?-999 ? O2 GOL A 269 mSER.A 8 23.72 53.26 -3.58 24.01 53.98 -4.20 22.28 51.32 -4.22 23.18 50.89 -4.90 22.37 52.71 -3.54 21.40 53.68 -4.20 2 0 13.09-999 ?-999 ?-999 ? O2 GOL A 269 mPRO~A 9 21.18 50.59 -4.00 20.56 50.97 -3.31 20.93 49.50 -6.21 20.33 50.44 -6.72 20.94 49.33 -4.71 19.54 48.93 -4.24 3 0 13.67-999 ?-999 ?-999 ? OXT ACT A 272 mGLY~A 10 21.67 48.65 -6.91 22.08 47.90 -6.38 22.85 49.89 -8.67 23.10 50.17 -9.85 21.86 48.79 -8.34-999.99-999.99-999.99 1 0 13.60-999 ?-999 ?-999 ? O ACT A 272 mALA~A 11 23.44 50.48 -7.62 23.18 50.11 -6.73 23.81 52.68 -8.67 24.54 53.26 -9.49 24.37 51.58 -7.79 25.73 51.10 -8.32 2 0 15.35-999 ?-999 ?-999 ? O ACT A 272 mTRP.A 12 22.53 52.99 -8.49 22.05 52.39 -7.85 22.55 55.44 -8.79 22.71 56.35 -9.61 21.92 54.13 -9.20 20.44 54.21 -8.91 3 0 17.82-999 ?-999 ?-999 ? O3 GOL A 270 mPHE^A 13 22.87 55.56 -7.49 22.69 54.75 -6.93 24.40 56.54 -5.85 24.42 55.46 -5.28 23.45 56.78 -6.97 22.37 57.78 -6.57 3 0 16.90-999 ?-999 ?-999 ? O2 GOL A 269 mSER^A 14 25.23 57.56 -5.61 25.16 58.30 -6.27 26.15 58.93 -3.82 25.72 59.93 -4.43 26.15 57.55 -4.47 27.55 57.14 -4.89 2 0 14.81-999 ?-999 ?-999 ? O2 GOL A 269 mMETA 15 26.58 58.97 -2.58 26.89 58.09 -2.22 27.45 60.00 -0.60 27.75 58.85 -0.23 26.60 60.22 -1.83 25.23 60.69 -1.42 2 0 13.72-999 ?-999 ?-999 ? O2 GOL A 269 mASN^A 16 27.89 61.11 0.00 27.71 61.96 -0.50 27.76 61.77 2.34 27.17 62.80 2.10 28.56 61.06 1.29 29.95 61.65 1.23 2 0 12.41-999 ?-999 ?-999 ? O2 GOL A 269 mTYR^A 17 27.76 61.22 3.53 28.35 60.41 3.62 27.76 61.79 5.92 28.82 61.13 6.06 26.95 61.76 4.61 25.61 61.04 4.75 3 0 10.61-999 ?-999 ?-999 ? O2 GOL A 269 mPRO.A 18 27.33 62.62 6.88 26.48 63.11 6.70 28.43 61.45 8.85 27.56 60.64 9.02 28.15 62.74 8.09 27.32 63.68 8.94 3 0 10.86-999 ?-999 ?-999 ? O2 GOL A 269 mSER.A 19 29.67 61.28 9.29 30.28 62.04 9.08 29.29 59.77 11.27 29.14 58.57 11.64 30.09 60.09 10.01 31.58 60.21 10.37 2 0 9.41-999 ?-999 ?-999 ? O2 GOL A 269 mASP.A 20 28.75 60.80 11.90 28.92 61.69 11.47 26.55 60.16 12.85 25.81 59.81 13.79 27.98 60.63 13.13 27.99 61.91 13.97 2 0 9.26-999 ?-999 ?-999 ? C1 GOL A 269 mTRP.A 21 26.14 60.15 11.59 26.78 60.52 10.93 24.91 58.09 11.11 25.97 57.55 10.77 24.82 59.60 11.26 24.26 60.18 9.98 3 0 7.22-999 ?-999 ?-999 ? O2 GOL A 269 mASN^A 22 23.78 57.41 11.35 23.06 57.98 11.76 22.37 55.85 10.15 21.54 56.75 10.07 23.60 55.99 11.06 23.35 55.15 12.33 2 0 -3.82-999 ?-999 ?-999 ? O2 GOL A 269s mGLU^A 23 22.27 54.72 9.46 23.02 54.08 9.63 20.11 53.62 9.30 20.41 52.70 10.06 21.16 54.42 8.54 21.67 53.59 7.37 2 0 -3.77-999 ?-999 ?-999 ? O2 GOL A 269s mPHE^A 24 18.84 53.92 9.03 18.72 54.66 8.37 16.65 52.90 8.62 16.68 53.38 7.50 17.72 53.25 9.64 17.14 54.14 10.71 3 0 5.34-999 ?-999 ?-999 ? O3 GOL A 269 mGLU.A 25 15.71 52.03 9.02 15.76 51.77 9.98 13.70 52.62 7.66 13.19 53.29 8.55 14.71 51.54 8.05 14.02 50.30 8.58 2 0 8.56-999 ?-999 ?-999 ? O3 GOL A 269 mASP.A 26 13.44 52.78 6.37 13.95 52.17 5.77 11.41 53.22 4.96 10.68 53.98 4.31 12.45 53.80 5.93 13.16 54.99 5.27 2 0 11.68-999 ?-999 ?-999 ? O3 GOL A 269 mGLY.A 27 11.38 51.91 4.81 11.99 51.40 5.42 11.14 51.10 2.44 12.27 51.51 2.18 10.51 51.30 3.81-999.99-999.99-999.99 1 0 14.30-999 ?-999 ?-999 ? O3 GOL A 269 mGLU.A 28 10.37 50.44 1.57 9.48 50.19 1.95 11.19 51.36 -0.55 10.47 52.34 -0.56 10.78 50.11 0.20 9.62 49.41 -0.57 2 0 16.29-999 ?-999 ?-999 ? C3 GOL A 269 mGLY.A 29 12.39 51.33 -1.11 12.94 50.54 -0.84 13.32 53.69 -1.47 13.64 54.60 -2.21 12.84 52.38 -2.04-999.99-999.99-999.99 1 0 16.24-999 ?-999 ?-999 ? O2 GOL A 269 mSER^A 30 13.36 53.80 -0.14 13.09 52.96 0.33 14.83 54.66 1.58 14.93 53.50 2.03 13.77 55.02 0.55 12.60 55.66 1.28 2 0 14.01-999 ?-999 ?-999 ? O2 GOL A 269 mPHE^A 31 15.66 55.64 1.90 15.46 56.50 1.44 16.77 56.62 3.82 16.63 57.78 3.40 16.76 55.46 2.84 18.05 55.42 2.06 3 0 10.43-999 ?-999 ?-999 ? O2 GOL A 269 mLEU^A 32 16.92 56.30 5.09 17.09 55.32 5.21 18.17 57.22 7.02 18.70 56.14 7.34 16.84 57.23 6.22 15.68 56.85 7.14 3 0 9.37-999 ?-999 ?-999 ? O2 GOL A 269 mPHE^A 33 18.65 58.40 7.37 18.09 59.17 7.06 19.68 59.66 9.15 19.07 60.69 8.87 19.86 58.58 8.13 21.02 58.99 7.24 3 0 7.56-999 ?-999 ?-999 ? O2 GOL A 269 mTYR^A 34 20.23 59.43 10.32 20.62 58.51 10.40 21.25 60.08 12.46 21.70 58.94 12.55 20.26 60.43 11.38 18.85 60.65 12.00 3 0 8.83-999 ?-999 ?-999 ? O3 GOL A 269 mASN.A 35 21.58 61.05 13.31 21.17 61.94 13.07 21.62 60.32 15.64 20.77 61.03 16.12 22.45 60.82 14.47 23.13 62.15 14.82 2 0 9.40-999 ?-999 ?-999 ? O3 GOL A 269 mPRO.A 36 21.85 59.07 16.10 22.60 58.57 15.66 21.48 58.96 18.56 20.79 58.65 19.54 21.03 58.52 17.18 21.23 57.01 17.04 3 0 8.82-999 ?-999 ?-999 ? O3 GOL A 269 mASP.A 37 22.60 59.65 18.63 23.03 59.79 17.74 22.64 61.55 20.17 21.82 61.70 21.07 23.16 60.15 19.90 24.68 60.12 19.86 2 0 11.76-999 ?-999 ?-999 ? O3 GOL A 269 mVAL.A 38 23.11 62.55 19.44 23.86 62.29 18.84 21.93 64.25 18.17 22.62 64.53 17.17 22.57 63.91 19.52 23.66 64.93 19.92 3 0 14.42-999 ?-999 ?-999 ? O3 GOL A 269 mTRP.A 39 20.61 64.21 18.14 20.19 64.11 19.05 19.98 65.69 16.28 19.87 66.71 16.97 19.87 64.31 16.89 18.40 64.02 17.17 3 0 13.77-999 ?-999 ?-999 ? O3 GOL A 269 mTHR.A 40 20.16 65.72 14.96 20.20 64.83 14.51 19.29 67.00 13.08 19.34 67.90 12.27 20.27 66.97 14.27 21.71 67.18 13.76 2 0 15.48-999 ?-999 ?-999 ? O3 GOL A 269 mGLY.A 41 18.41 66.01 12.98 18.47 65.33 13.71 17.47 64.59 11.16 18.47 63.82 11.24 17.44 65.95 11.89-999.99-999.99-999.99 1 0 14.95-999 ?-999 ?-999 ? O3 GOL A 269 mASN^A 42 16.36 64.27 10.47 15.64 64.95 10.51 16.35 63.30 8.22 15.57 64.04 7.65 16.20 63.05 9.71 14.84 62.44 9.95 2 0 12.96-999 ?-999 ?-999 ? O3 GOL A 269 mPHE^A 43 17.39 62.74 7.62 17.99 62.24 8.24 17.09 61.62 5.47 17.38 60.46 5.87 17.63 62.85 6.18 19.14 63.01 5.90 3 0 12.65-999 ?-999 ?-999 ? O2 GOL A 269 mARG^A 44 16.30 61.85 4.41 16.12 62.81 4.23 16.08 61.04 2.12 16.07 62.19 1.65 15.75 60.78 3.60 14.24 60.63 3.78 2 0 13.20-999 ?-999 ?-999 ? O2 GOL A 269 mILE^A 45 16.31 59.96 1.38 16.36 59.10 1.88 15.83 58.87 -0.69 15.96 57.76 -0.19 16.47 60.07 -0.07 17.97 60.21 -0.48 3 0 14.39-999 ?-999 ?-999 ? O2 GOL A 269 mSER^A 46 15.20 59.09 -1.85 15.20 60.05 -2.12 14.86 58.40 -4.10 14.83 59.59 -4.48 14.56 58.07 -2.65 13.04 58.09 -2.49 2 0 16.46-999 ?-999 ?-999 ? O2 GOL A 269 mALA^A 47 15.08 57.38 -4.92 15.11 56.49 -4.47 14.29 56.75 -7.14 13.84 55.69 -6.70 15.27 57.58 -6.35 16.72 57.28 -6.81 2 0 17.09-999 ?-999 ?-999 ? O3 GOL A 270 mPHE^A 48 13.99 57.22 -8.36 14.42 58.09 -8.61 13.48 56.75 -10.67 13.88 57.85 -11.04 13.10 56.49 -9.23 11.65 56.88 -8.99 3 0 13.89-999 ?-999 ?-999 ? O3 GOL A 270 mLYS^A 49 13.38 55.69 -11.47 13.07 54.86 -11.00 12.41 55.62 -13.73 11.51 54.84 -13.38 13.69 55.76 -12.90 14.71 54.70 -13.31 2 0 10.53-999 ?-999 ?-999 ? O3 GOL A 270 mGLY.A 50 12.34 56.39 -14.80 13.12 57.00 -14.95 11.62 56.59 -17.11 12.64 56.06 -17.59 11.21 56.35 -15.68-999.99-999.99-999.99 1 0 7.38-999 ?-999 ?-999 ? O3 GOL A 270 mASN.A 51 10.85 57.41 -17.82 10.11 57.83 -17.30 12.26 58.61 -19.42 12.89 59.03 -18.46 11.07 57.66 -19.23 9.82 58.18 -19.96 2 0 -3.70-999 ?-999 ?-999 ? O3 GOL A 270s mALA.A 52 12.54 58.92 -20.66 11.85 58.63 -21.32 13.86 61.04 -20.38 14.99 61.51 -20.14 13.79 59.65 -21.00 13.95 59.75 -22.51 2 0 -3.78-999 ?-999 ?-999 ? O3 GOL A 270s mSER~A 53 12.72 61.68 -20.14 11.92 61.15 -20.41 12.24 63.05 -18.06 11.94 64.10 -17.51 12.63 63.03 -19.55 11.67 63.90 -20.36 2 0 6.44-999 ?-999 ?-999 ? O3 GOL A 270 mTYR~A 54 12.30 61.90 -17.40 12.75 61.16 -17.90 12.34 62.74 -15.05 11.61 63.33 -14.23 11.73 61.78 -16.07 11.90 60.33 -15.59 3 0 7.98-999 ?-999 ?-999 ? O3 GOL A 270 mGLY~A 55 13.65 62.93 -15.07 14.12 62.46 -15.82 13.93 65.24 -14.18 13.45 65.84 -13.22 14.32 63.78 -14.05-999.99-999.99-999.99 1 0 11.19-999 ?-999 ?-999 ? O3 GOL A 270 mLYS~A 56 14.06 65.81 -15.36 14.43 65.20 -16.06 12.15 67.40 -15.39 11.65 68.40 -14.81 13.69 67.22 -15.57 14.18 67.66 -16.94 2 0 12.27-999 ?-999 ?-999 ? O3 GOL A 270 mASP~A 57 11.38 66.41 -15.84 11.85 65.65 -16.28 9.56 66.56 -14.18 8.61 67.26 -13.83 9.94 66.47 -15.66 9.22 65.29 -16.31 2 0 10.58-999 ?-999 ?-999 ? O1 GOL A 270 mALA~A 58 10.28 65.82 -13.34 11.01 65.30 -13.78 10.27 67.18 -11.24 9.49 67.63 -10.41 10.01 65.80 -11.88 10.86 64.71 -11.20 2 0 13.01-999 ?-999 ?-999 ? O1 GOL A 270 mILE~A 59 11.37 67.82 -11.64 11.94 67.28 -12.26 10.57 70.14 -11.60 10.05 70.87 -10.74 11.69 69.18 -11.21 13.06 69.65 -11.79 3 0 15.92-999 ?-999 ?-999 ? O1 GOL A 270 mARG~A 60 10.20 70.14 -12.88 10.66 69.47 -13.46 7.87 70.78 -12.70 7.12 71.69 -12.39 9.19 71.08 -13.35 9.07 71.05 -14.88 2 0 15.45-999 ?-999 ?-999 ? O1 GOL A 270 mGLN~A 61 7.54 69.50 -12.48 8.21 68.82 -12.79 6.19 69.78 -10.43 5.14 70.30 -10.03 6.26 69.15 -11.81 6.11 67.63 -11.66 2 0 15.02-999 ?-999 ?-999 ? O1 GOL A 270 mGLU~A 62 7.27 69.67 -9.66 8.03 69.18 -10.09 7.16 71.76 -8.34 6.33 72.32 -7.58 7.31 70.24 -8.31 8.55 69.78 -7.54 2 0 18.31-999 ?-999 ?-999 ? O1 GOL A 270 mLEU~A 63 7.88 72.43 -9.25 8.48 71.86 -9.82 6.35 74.31 -9.70 5.90 75.36 -9.25 7.76 73.88 -9.35 8.74 74.41 -10.41 3 0 20.08-999 ?-999 ?-999 ? O1 GOL A 270 mLYS~A 64 5.68 73.56 -10.56 6.20 72.77 -10.90 3.31 73.66 -9.88 2.46 74.53 -9.65 4.33 73.86 -10.98 3.98 73.00 -12.19 2 0 19.32-999 ?-999 ?-999 ? O1 GOL A 270 mGLU~A 65 3.37 72.50 -9.21 4.13 71.91 -9.47 2.60 72.89 -6.85 1.65 73.00 -6.06 2.38 72.17 -8.18 2.36 70.67 -7.91 2 0 20.38-999 ?-999 ?-999 ? O1 GOL A 270 mASN~A 66 3.81 73.32 -6.56 4.48 73.22 -7.30 4.59 75.34 -5.44 5.75 75.58 -5.84 4.11 73.89 -5.27 5.21 73.05 -4.62 2 0 23.27-999 ?-999 ?-999 ? O1 GOL A 270 mASP.A 67 3.70 76.29 -5.14 2.83 75.96 -4.76 5.08 78.14 -4.40 5.74 79.13 -4.69 3.99 77.68 -5.36 2.73 78.52 -5.16 2 0 25.84-999 ?-999 ?-999 ? O1 GOL A 270 mSER.A 68 5.30 77.42 -3.31 4.67 76.66 -3.18 7.72 77.12 -2.72 8.71 77.32 -2.00 6.37 77.77 -2.38 5.98 77.43 -0.96 2 0 27.76-999 ?-999 ?-999 ? O1 GOL A 270 mALA.A 69 7.78 76.35 -3.81 6.91 76.18 -4.27 9.80 76.84 -5.09 9.21 77.52 -5.94 9.07 75.82 -4.23 8.88 74.53 -5.02 2 0 25.08-999 ?-999 ?-999 ? O1 GOL A 270 mSER^A 70 11.12 76.91 -4.91 11.48 76.46 -4.09 13.10 76.81 -6.30 13.48 75.87 -5.64 11.92 77.62 -5.88 12.41 78.95 -5.35 2 0 25.53-999 ?-999 ?-999 ? O1 GOL A 270 mLEU^A 71 13.66 77.16 -7.43 13.27 77.98 -7.83 16.05 76.90 -7.41 16.38 78.10 -7.51 14.76 76.41 -8.03 14.77 76.63 -9.55 3 0 23.92-999 ?-999 ?-999 ? O1 GOL A 270 mVAL^A 72 16.79 75.99 -6.80 16.36 75.09 -6.73 19.10 75.29 -6.86 18.74 74.17 -7.19 18.10 76.31 -6.28 18.09 76.24 -4.74 3 0 25.88-999 ?-999 ?-999 ? O3 GOL A 270 mLYS^A 73 20.38 75.68 -6.91 20.53 76.61 -6.57 22.32 74.37 -6.25 22.82 75.17 -5.46 21.44 74.86 -7.41 22.29 75.69 -8.35 2 0 25.29-999 ?-999 ?-999 ? O3 GOL A 270 mILE^A 74 22.48 73.06 -6.12 21.98 72.53 -6.80 24.20 71.47 -5.80 23.71 70.50 -6.41 23.31 72.46 -5.07 22.47 71.70 -4.02 3 0 24.55-999 ?-999 ?-999 ? O2 GOL A 269 mGLY.A 75 25.50 71.71 -5.75 25.77 72.42 -5.10 26.03 71.08 -8.06 25.80 72.17 -8.60 26.45 70.99 -6.59-999.99-999.99-999.99 1 0 24.42-999 ?-999 ?-999 ? O2 GOL A 269 mTHR.A 76 25.84 69.93 -8.68 26.00 69.12 -8.11 23.91 69.89 -10.25 23.43 69.90 -11.40 25.44 69.89 -10.09 25.98 68.62 -10.80 2 0 22.73-999 ?-999 ?-999 ? O3 GOL A 270 mTRP^A 77 23.18 69.87 -9.15 23.72 70.07 -8.33 20.92 70.87 -9.15 21.06 71.68 -8.26 21.74 69.60 -9.14 21.33 68.74 -7.95 3 0 21.04-999 ?-999 ?-999 ? O3 GOL A 270 mASP^A 78 19.99 70.96 -10.09 20.09 70.29 -10.83 17.82 71.34 -9.21 17.25 70.31 -9.59 18.92 71.96 -10.04 18.38 72.22 -11.43 2 0 20.70-999 ?-999 ?-999 ? O3 GOL A 270 mCYH^A 79 17.52 71.95 -8.06 18.00 72.82 -7.93 15.36 72.31 -6.93 15.52 73.51 -6.77 16.58 71.41 -7.07 17.27 71.31 -5.73 2 0 21.62-999 ?-999 ?-999 ? O3 GOL A 270 mALA^A 80 14.18 71.72 -6.95 14.19 70.78 -7.27 12.85 72.23 -5.06 12.59 71.12 -4.55 12.96 72.39 -6.55 11.76 71.77 -7.28 2 0 21.67-999 ?-999 ?-999 ? O1 GOL A 270 mTYR^A 81 13.11 73.31 -4.34 13.17 74.15 -4.89 12.17 74.03 -2.22 11.80 75.15 -2.60 13.30 73.31 -2.91 14.61 74.00 -2.53 3 0 25.09-999 ?-999 ?-999 ? O1 GOL A 270 mSER^A 82 11.63 73.41 -1.18 12.01 72.50 -1.02 10.73 73.56 1.08 11.43 72.60 1.40 10.59 74.03 -0.36 9.21 73.64 -0.90 2 0 27.11-999 ?-999 ?-999 ? O1 GOL A 270 mLYS^A 83 10.02 74.24 1.96 9.55 75.05 1.60 8.61 74.06 3.89 7.90 74.96 3.41 9.97 73.78 3.33 11.11 74.35 4.21 2 0 26.29-999 ?-999 ?-999 ? O2 GOL A 269 mGLU^A 84 8.22 73.26 4.87 8.87 72.54 5.10 7.07 73.12 6.99 7.84 72.24 7.36 6.94 73.45 5.53 5.88 72.55 4.91 2 0 27.27-999 ?-999 ?-999 ? O3 GOL A 269 mMETA 85 6.30 73.82 7.80 5.70 74.49 7.36 5.21 72.70 9.57 4.13 72.76 8.96 6.34 73.61 9.22 6.20 74.91 9.98 2 0 27.18-999 ?-999 ?-999 ? O3 GOL A 269 mPHE^A 86 5.45 71.83 10.53 6.41 71.76 10.83 4.61 70.78 12.56 5.68 71.07 13.12 4.38 71.05 11.08 4.20 69.76 10.29 3 0 26.39-999 ?-999 ?-999 ? O3 GOL A 269 mGLN^A 87 3.57 70.25 13.18 2.78 70.08 12.59 3.18 68.49 14.75 2.19 68.07 14.15 3.58 69.95 14.60 2.55 70.81 15.29 2 0 26.34-999 ?-999 ?-999 ? O3 GOL A 269 mGLU.A 88 3.95 67.74 15.55 4.73 68.24 15.91 3.98 66.15 17.35 5.05 66.54 17.80 3.68 66.33 15.86 4.57 65.43 14.99 2 0 24.12-999 ?-999 ?-999 ? O3 GOL A 269 mGLU.A 89 3.04 65.59 18.10 2.22 65.33 17.58 3.48 66.68 20.31 4.16 66.67 21.32 3.18 65.37 19.55 4.25 64.32 19.84 2 0 24.89-999 ?-999 ?-999 ? O3 GOL A 269 mGLY.A 90 2.97 67.80 19.80 2.45 67.68 18.96 4.48 69.81 20.10 4.74 70.91 20.58 3.19 69.09 20.46-999.99-999.99-999.99 1 0 27.36-999 ?-999 ?-999 ? O3 GOL A 269 mTHR^A 91 5.30 69.18 19.29 4.95 68.32 18.93 6.57 70.26 17.53 5.97 69.65 16.65 6.59 69.76 18.97 7.71 68.73 19.13 2 0 25.06-999 ?-999 ?-999 ? O3 GOL A 269 mTYR^A 92 7.24 71.38 17.31 7.67 71.78 18.12 8.57 71.61 15.24 9.67 71.70 15.79 7.31 71.97 15.98 7.22 73.47 16.08 3 0 25.57-999 ?-999 ?-999 ? O3 GOL A 269 mTYR^A 93 8.36 71.20 14.00 7.40 71.25 13.73 9.28 71.47 11.80 8.25 72.03 11.48 9.41 70.73 13.11 9.27 69.23 12.83 3 0 23.00-999 ?-999 ?-999 ? O3 GOL A 269 mTHR^A 94 10.38 71.47 11.04 11.19 71.13 11.51 10.82 70.79 8.78 11.84 70.14 9.07 10.38 71.93 9.66 11.31 73.17 9.45 2 0 23.50-999 ?-999 ?-999 ? O3 GOL A 269 mSER^A 95 10.03 70.53 7.74 9.18 71.05 7.73 10.85 70.26 5.48 10.12 71.05 4.89 10.37 69.55 6.72 9.16 68.68 6.39 2 0 21.97-999 ?-999 ?-999 ? O3 GOL A 269 mHIS^A 96 12.12 70.02 5.10 12.60 69.44 5.75 12.66 69.48 2.81 12.85 68.28 3.09 12.75 70.54 3.87 14.23 70.82 4.15 3 0 22.04-999 ?-999 ?-999 ? O2 GOL A 269 mLEU^A 97 12.37 69.90 1.59 12.32 70.90 1.51 12.94 69.53 -0.72 12.83 70.71 -1.04 12.16 69.00 0.47 10.66 68.88 0.17 3 0 22.28-999 ?-999 ?-999 ? O2 GOL A 269 mTRP^A 98 13.72 68.66 -1.35 13.78 67.78 -0.88 14.07 67.89 -3.61 14.32 66.70 -3.35 14.42 68.95 -2.60 15.96 68.92 -2.42 3 0 22.56-999 ?-999 ?-999 ? O2 GOL A 269 mILE^A 99 13.53 68.28 -4.74 13.32 69.26 -4.77 14.24 67.72 -6.94 14.29 68.85 -7.38 13.27 67.37 -5.84 11.79 67.50 -6.36 3 0 19.62-999 ?-999 ?-999 ? O1 GOL A 270 mTHR^A 100 14.99 66.74 -7.40 14.87 65.87 -6.92 15.97 65.71 -9.40 15.25 64.78 -9.25 15.90 66.94 -8.50 17.32 67.38 -8.01 2 0 17.76-999 ?-999 ?-999 ? O3 GOL A 270 mGLY^A 101 16.90 65.70 -10.33 17.56 66.45 -10.30 17.76 65.02 -12.49 18.16 66.18 -12.69 16.91 64.64 -11.30-999.99-999.99-999.99 1 0 14.69-999 ?-999 ?-999 ? O3 GOL A 270 mTHR^A 102 18.05 64.02 -13.32 17.71 63.13 -13.01 18.45 63.01 -15.44 18.30 61.88 -14.94 18.77 64.18 -14.56 20.31 64.31 -14.33 2 0 13.02-999 ?-999 ?-999 ? O3 GOL A 270 mGLY.A 103 18.30 63.23 -16.74 18.43 64.18 -17.03 16.72 61.41 -17.17 15.70 62.06 -16.89 17.97 62.12 -17.63-999.99-999.99-999.99 1 0 9.68-999 ?-999 ?-999 ? O3 GOL A 270 mASN.A 104 16.81 60.09 -17.01 17.73 59.73 -17.15 15.54 59.00 -15.17 14.73 58.15 -14.78 15.68 59.25 -16.68 15.76 57.86 -17.36 2 0 7.86-999 ?-999 ?-999 ? O3 GOL A 270 mILE^A 105 16.30 59.69 -14.32 16.88 60.38 -14.76 15.88 60.68 -12.10 16.36 61.78 -12.41 16.26 59.43 -12.86 17.62 58.86 -12.34 3 0 11.42-999 ?-999 ?-999 ? O3 GOL A 270 mALA^A 106 14.93 60.55 -11.16 14.53 59.64 -11.13 14.84 61.22 -8.83 14.81 60.03 -8.45 14.49 61.61 -10.26 12.96 61.85 -10.39 2 0 13.66-999 ?-999 ?-999 ? O3 GOL A 270 mPHE^A 107 15.10 62.24 -8.02 15.11 63.12 -8.49 14.38 62.92 -5.81 14.06 64.06 -6.21 15.37 62.09 -6.61 16.79 62.58 -6.28 3 0 17.40-999 ?-999 ?-999 ? O3 GOL A 270 mGLU^A 108 13.99 62.42 -4.64 14.22 61.45 -4.52 14.15 63.10 -2.39 14.40 61.97 -1.93 13.31 63.22 -3.64 11.92 62.62 -3.39 2 0 20.11-999 ?-999 ?-999 ? O2 GOL A 269 mCYH^A 109 14.60 64.24 -1.90 14.34 65.04 -2.45 14.64 65.13 0.36 14.05 66.16 0.04 15.39 64.36 -0.71 16.60 65.18 -1.02 2 0 17.89-999 ?-999 ?-999 ? O2 GOL A 269 mSER^A 110 14.69 64.73 1.61 15.17 63.87 1.78 14.88 65.57 3.90 15.70 64.68 4.13 14.07 65.55 2.63 12.68 65.10 2.92 2 0 17.85-999 ?-999 ?-999 ? O2 GOL A 269 mPHE^A 111 14.66 66.58 4.72 13.97 67.23 4.40 14.36 67.32 6.94 13.89 68.42 6.69 15.37 66.72 5.96 16.60 67.61 5.79 3 0 17.06-999 ?-999 ?-999 ? O2 GOL A 269 mTHR^A 112 14.07 66.61 8.03 14.59 65.76 8.10 13.86 67.34 10.27 14.62 66.48 10.77 13.08 67.04 9.02 12.04 65.97 9.20 2 0 18.02-999 ?-999 ?-999 ? O3 GOL A 269 mVAL^A 113 13.68 68.55 10.77 12.93 69.06 10.35 13.60 69.78 12.85 12.53 70.27 12.45 14.52 69.08 11.85 15.58 70.12 11.26 3 0 18.96-999 ?-999 ?-999 ? O3 GOL A 269 mPRO^A 114 14.06 69.95 14.10 14.89 69.47 14.37 13.26 72.23 14.43 14.22 72.67 13.76 13.31 70.83 14.98 14.11 70.84 16.29 3 0 21.33-999 ?-999 ?-999 ? O3 GOL A 269 mLYS.A 115 12.16 72.93 14.66 11.47 72.42 15.17 13.28 75.08 14.57 13.71 75.06 15.72 12.01 74.30 14.22 10.79 74.95 14.91 2 0 24.90-999 ?-999 ?-999 ? O3 GOL A 269 mGLY.A 116 13.87 75.78 13.60 13.42 75.69 12.72 16.36 75.88 13.55 17.43 76.51 13.51 15.06 76.60 13.86-999.99-999.99-999.99 1 0 25.91-999 ?-999 ?-999 ? O3 GOL A 269 mGLY.A 117 16.29 74.56 13.40 15.37 74.18 13.48 18.13 74.01 11.78 17.43 74.25 10.78 17.51 73.78 13.15-999.99-999.99-999.99 1 0 22.51-999 ?-999 ?-999 ? O3 GOL A 269 mSER.A 118 19.44 73.88 11.71 19.89 73.62 12.57 19.85 72.98 9.50 19.81 71.81 9.89 20.15 74.09 10.48 21.65 74.10 10.78 2 0 21.88-999 ?-999 ?-999 ? O2 GOL A 269 mALA~A 119 19.67 73.32 8.22 19.62 74.31 8.08 20.86 72.14 6.37 20.88 71.43 5.39 19.55 72.36 7.13 18.43 72.82 6.14 2 0 20.42-999 ?-999 ?-999 ? O2 GOL A 269 mLYS~A 120 21.95 72.71 6.87 21.85 73.11 7.78 23.76 71.30 5.81 24.20 71.05 4.70 23.20 72.70 6.09 24.25 73.58 6.75 2 0 20.36-999 ?-999 ?-999 ? O2 GOL A 269 mGLU~A 121 23.68 70.39 6.78 23.29 70.70 7.64 23.46 68.40 5.33 24.06 67.69 4.55 24.17 69.04 6.51 23.94 68.11 7.68 2 0 16.64-999 ?-999 ?-999 ? O2 GOL A 269 mALA~A 122 22.14 68.55 5.26 21.71 69.06 6.00 21.86 68.56 2.82 22.04 67.83 1.84 21.40 67.98 4.16 19.88 68.19 4.38 2 0 16.47-999 ?-999 ?-999 ? O2 GOL A 269 mGLU~A 123 22.06 69.88 2.76 21.87 70.38 3.61 23.90 69.95 1.15 24.18 69.73 -0.02 22.53 70.50 1.52 22.57 72.02 1.63 2 0 19.60-999 ?-999 ?-999 ? O2 GOL A 269 mGLU~A 124 24.73 69.73 2.16 24.37 69.97 3.06 26.00 67.77 1.40 26.79 67.42 0.53 26.06 69.19 1.94 26.92 69.35 3.20 2 0 18.23-999 ?-999 ?-999 ? O2 GOL A 269 mVAL~A 125 25.06 66.97 1.87 24.51 67.35 2.61 24.46 65.71 -0.17 25.00 65.01 -1.03 24.87 65.63 1.29 23.84 64.83 2.07 3 0 15.32-999 ?-999 ?-999 ? O2 GOL A 269 mILE~A 126 23.47 66.56 -0.46 23.12 67.09 0.31 24.10 67.13 -2.80 24.19 66.68 -3.95 22.98 66.65 -1.84 21.74 67.57 -1.90 3 0 18.00-999 ?-999 ?-999 ? O2 GOL A 269 mALA~A 127 25.00 68.00 -2.36 24.83 68.33 -1.42 27.07 67.30 -3.56 27.78 67.40 -4.56 26.13 68.44 -3.17 26.91 69.54 -2.43 2 0 20.26-999 ?-999 ?-999 ? O2 GOL A 269 mTHR~A 128 27.09 66.24 -2.76 26.50 66.33 -1.95 27.17 64.01 -3.91 27.80 63.03 -4.36 27.91 65.04 -3.04 28.38 64.28 -1.76 2 0 17.91-999 ?-999 ?-999 ? O2 GOL A 269 mLEU~A 129 25.88 64.22 -4.14 25.55 65.10 -3.81 25.49 63.05 -6.26 25.69 64.05 -7.01 25.06 63.22 -4.82 23.59 63.58 -4.76 3 0 17.72-999 ?-999 ?-999 ? O2 GOL A 269 mGLU^A 130 25.67 61.80 -6.70 25.57 61.10 -5.99 25.10 60.40 -8.61 24.85 59.44 -7.88 25.99 61.51 -8.10 27.42 61.02 -8.23 2 0 19.68-999 ?-999 ?-999 ? O2 GOL A 269 mALA^A 131 24.62 60.51 -9.85 24.85 61.39 -10.28 24.81 58.77 -11.45 25.41 59.41 -12.32 23.84 59.46 -10.51 22.66 60.02 -11.27 2 0 17.85-999 ?-999 ?-999 ? O3 GOL A 270 mARG.A 132 25.01 57.48 -11.27 24.49 57.07 -10.53 25.36 56.64 -13.55 24.17 56.46 -13.72 25.94 56.76 -12.14 26.27 55.39 -11.53 2 0 18.34-999 ?-999 ?-999 ? O3 GOL A 270 mLYS.A 133 26.21 56.81 -14.55 27.15 57.03 -14.27 25.94 55.18 -16.30 26.99 54.60 -16.08 25.80 56.66 -15.94 26.66 57.53 -16.84 2 0 16.27-999 ?-999 ?-999 ? O3 GOL A 270 mGLU.A 134 24.87 54.56 -16.78 24.03 55.10 -16.83 25.83 53.10 -18.47 25.66 53.91 -19.38 24.97 53.15 -17.21 23.60 52.50 -17.42 2 0 15.66-999 ?-999 ?-999 ? O3 GOL A 270 mGLY.A 135 26.79 52.17 -18.48 26.73 51.50 -17.74 29.16 52.74 -19.03 30.19 52.60 -19.70 27.84 52.15 -19.51-999.99-999.99-999.99 1 0 17.94-999 ?-999 ?-999 ? O3 GOL A 270 mGLU.A 136 29.13 53.43 -17.90 28.22 53.74 -17.61 30.48 52.56 -16.16 29.53 52.25 -15.44 30.34 53.72 -17.14 30.22 55.04 -16.40 2 0 20.45-999 ?-999 ?-999 ? O3 GOL A 270 mLYS.A 137 31.63 51.90 -16.16 32.25 52.16 -16.89 32.64 51.61 -14.01 33.45 52.52 -14.24 31.92 50.89 -15.14 32.76 49.73 -15.69 2 0 18.14-999 ?-999 ?-999 ? O ACT A 272 mTYR.A 138 32.33 51.20 -12.79 31.68 50.44 -12.79 33.62 50.71 -10.82 33.11 49.61 -10.64 32.86 51.79 -11.56 31.71 52.33 -10.71 3 0 17.43-999 ?-999 ?-999 ? O ACT A 272 mPRO.A 139 34.85 51.00 -10.39 35.16 51.95 -10.50 35.06 49.39 -8.49 34.35 50.12 -7.79 35.63 49.92 -9.79 37.00 50.57 -9.55 3 0 16.41-999 ?-999 ?-999 ? O ACT A 272 mALA.A 140 35.36 48.13 -8.17 35.93 47.66 -8.84 35.28 48.40 -5.78 36.36 48.99 -5.80 34.86 47.53 -6.95 35.40 46.12 -6.76 2 0 13.39-999 ?-999 ?-999 ? O ACT A 272 mGLU^A 141 34.41 48.51 -4.78 33.53 48.07 -4.92 34.04 48.80 -2.38 32.95 48.25 -2.48 34.77 49.26 -3.59 34.60 50.76 -3.80 2 0 14.18-999 ?-999 ?-999 ? CH3 ACT A 273 mLEU^A 142 34.67 49.01 -1.23 35.58 49.39 -1.35 33.58 50.04 0.65 34.28 51.05 0.64 34.10 48.74 0.08 35.17 48.22 1.04 3 0 13.22-999 ?-999 ?-999 ? CH3 ACT A 273 mILE^A 143 32.36 49.99 1.17 31.93 49.09 1.08 31.18 50.68 3.16 31.05 49.46 3.46 31.69 51.11 1.81 30.53 51.71 0.94 3 0 10.65-999 ?-999 ?-999 ? O2 GOL A 269 mPRO^A 144 30.92 51.63 4.04 31.17 52.56 3.78 29.05 50.38 5.09 28.26 50.62 4.20 30.29 51.25 5.30 29.92 52.61 5.93 3 0 7.33-999 ?-999 ?-999 ? O2 GOL A 269 mVAL.A 145 28.93 49.33 5.87 29.59 49.27 6.62 26.50 49.00 5.61 26.13 49.74 6.52 27.88 48.36 5.62 27.99 47.13 6.58 3 0 6.51-999 ?-999 ?-999 ? C2 GOL A 269 mARG~A 146 25.77 48.72 4.55 26.23 48.14 3.88 23.42 48.39 5.22 23.61 47.22 5.49 24.39 49.22 4.41 23.94 49.18 2.93 2 0 6.05-999 ?-999 ?-999 ? O2 GOL A 269 mLEU~A 147 22.32 49.02 5.54 22.27 49.96 5.23 20.81 47.08 5.57 20.54 46.06 6.22 21.29 48.32 6.29 20.15 49.29 6.57 3 0 5.49-999 ?-999 ?-999 ? C3 GOL A 269 mSER~A 148 20.76 47.11 4.25 21.02 47.99 3.83 21.29 44.75 3.79 20.82 43.61 3.90 20.37 45.93 3.51 20.29 46.22 2.00 2 0 9.23-999 ?-999 ?-999 ? C3 GOL A 269 mGLU~A 149 22.60 44.99 3.85 22.86 45.93 3.66 23.57 43.56 5.66 23.80 42.40 6.03 23.55 43.90 4.18 24.93 44.22 3.65 2 0 8.15-999 ?-999 ?-999 ? C2 GOL A 271 mILE~A 150 23.25 44.51 6.53 23.13 45.42 6.14 21.98 43.17 8.12 22.16 42.20 8.85 23.11 44.20 7.94 22.80 45.48 8.76 3 0 4.69-999 ?-999 ?-999 ? C2 GOL A 271s mTYR~A 151 20.87 43.34 7.42 20.83 44.16 6.86 20.30 41.00 7.02 19.95 39.98 7.64 19.81 42.36 7.50 18.61 42.77 6.67 3 0 7.29-999 ?-999 ?-999 ? C1 GOL A 271 mGLN~A 152 21.04 40.97 5.91 21.22 41.86 5.48 22.49 38.99 6.36 22.45 37.77 6.54 21.53 39.69 5.40 22.25 39.90 4.08 2 0 8.95-999 ?-999 ?-999 ? C2 GOL A 271 mILE~A 153 23.33 39.78 7.03 23.26 40.74 6.78 23.44 38.59 9.17 23.69 37.45 9.55 24.26 39.23 8.03 25.15 40.35 8.56 3 0 6.34-999 ?-999 ?-999 ? O1 GOL A 271 mASN~A 154 22.46 39.29 9.68 22.32 40.19 9.25 20.84 37.56 10.39 20.77 36.59 11.17 21.69 38.74 10.79 20.84 39.84 11.39 2 0 -5.36-999 ?-999 ?-999 ? O1 GOL A 271s mGLU~A 155 20.25 37.58 9.20 20.42 38.42 8.68 20.31 35.21 8.54 19.92 34.11 8.91 19.42 36.46 8.73 18.70 36.84 7.45 2 0 9.17-999 ?-999 ?-999 ? O1 GOL A 271 mGLY~A 156 21.51 35.37 7.97 21.75 36.30 7.70 22.80 33.61 9.11 22.73 32.39 9.32 22.38 34.20 7.77-999.99-999.99-999.99 1 0 10.24-999 ?-999 ?-999 ? O1 GOL A 271 mTYR~A 157 23.22 34.47 10.02 23.21 35.42 9.71 22.49 33.35 12.05 22.63 32.23 12.60 23.65 34.06 11.34 24.07 35.29 12.13 3 0 8.67-999 ?-999 ?-999 ? O1 GOL A 271 mGLU~A 158 21.31 33.96 12.03 21.33 34.84 11.55 19.78 31.96 12.08 19.40 31.06 12.81 20.11 33.34 12.66 18.90 34.25 12.57 2 0 10.12-999 ?-999 ?-999 ? O1 GOL A 271 mTRP~A 159 19.91 31.79 10.78 20.19 32.62 10.29 20.60 29.45 10.68 20.17 28.35 11.00 19.65 30.50 10.16 19.71 30.58 8.64 3 0 13.29-999 ?-999 ?-999 ? O1 GOL A 271 mVAL~A 160 21.90 29.78 10.76 22.14 30.69 10.44 22.55 28.50 12.76 22.55 27.33 13.13 22.86 28.83 11.31 24.31 29.30 11.11 3 0 13.86-999 ?-999 ?-999 ? O1 GOL A 271 mVAL~A 161 22.20 29.50 13.55 22.19 30.40 13.12 20.71 28.26 15.05 20.75 27.27 15.81 21.87 29.26 14.94 21.57 30.59 15.67 3 0 13.49-999 ?-999 ?-999 ? O1 GOL A 271 mSER~A 162 19.68 28.50 14.25 19.79 29.29 13.65 18.84 26.25 13.82 18.30 25.28 14.34 18.50 27.67 14.27 17.42 28.24 13.39 2 0 15.94-999 ?-999 ?-999 ? O1 GOL A 271 mTHR~A 163 19.68 26.17 12.80 20.03 27.04 12.46 20.83 24.06 13.29 20.61 22.83 13.44 20.06 24.88 12.24 20.82 25.06 10.92 2 0 18.13-999 ?-999 ?-999 ? O1 GOL A 271 mVAL~A 164 21.73 24.72 14.01 21.80 25.69 13.80 21.62 23.56 16.15 21.76 22.46 16.69 22.54 24.03 15.03 23.66 24.94 15.56 3 0 18.55-999 ?-999 ?-999 ? O1 GOL A 271 mLYS~A 165 20.66 24.39 16.53 20.66 25.27 16.06 18.89 22.76 17.13 18.78 21.80 17.87 19.71 24.00 17.56 18.80 25.17 17.92 2 0 19.46-999 ?-999 ?-999 ? O1 GOL A 271 mGLN~A 166 18.28 22.84 15.95 18.44 23.70 15.47 18.24 20.45 15.20 17.74 19.39 15.56 17.48 21.76 15.39 16.88 22.21 14.06 2 0 21.90-999 ?-999 ?-999 ? O1 GOL A 271 mGLU~A 167 19.43 20.53 14.62 19.79 21.45 14.47 20.94 18.72 15.37 21.07 17.49 15.47 20.13 19.31 14.25 21.07 19.61 13.07 2 0 23.52-999 ?-999 ?-999 ? O1 GOL A 271 mLEU~A 168 21.54 19.58 16.19 21.28 20.53 16.04 21.98 19.31 18.63 22.59 18.78 19.55 22.48 19.14 17.22 23.79 19.90 17.11 3 0 23.65-999 ?-999 ?-999 ? O1 GOL A 271 mLYS~A 169 20.88 20.04 18.82 20.41 20.30 17.98 21.51 21.11 20.93 21.72 20.85 22.13 20.41 20.41 20.14 19.93 19.17 20.90 2 0 23.35-999 ?-999 ?-999 ? O1 GOL A 271 mLYS.A 170 22.20 22.02 20.26 21.96 22.09 19.29 22.90 24.32 20.70 22.21 24.70 19.75 23.21 22.84 20.90 24.58 22.53 20.33 2 0 20.96-999 ?-999 ?-999 ? O1 GOL A 271 mASP.A 171 23.36 25.13 21.66 23.77 24.65 22.43 24.43 27.09 20.76 25.27 26.32 20.29 23.26 26.58 21.58 23.18 27.23 22.98 2 0 17.82-999 ?-999 ?-999 ? O1 GOL A 271 mPHE.A 172 24.49 28.40 20.60 23.80 28.90 21.12 25.76 30.45 20.22 24.85 31.30 20.31 25.46 29.04 19.74 24.87 29.09 18.32 3 0 14.79-999 ?-999 ?-999 ? O1 GOL A 271 mGLN.A 173 27.03 30.70 20.56 27.62 29.90 20.44 28.14 32.92 20.03 28.33 34.13 20.26 27.48 32.04 21.06 28.52 31.86 22.15 2 0 13.17-999 ?-999 ?-999 ? O1 GOL A 271 mGLY.A 174 28.54 32.35 18.91 28.26 31.40 18.80 30.79 33.14 18.30 31.45 34.15 18.02 29.33 33.08 17.93-999.99-999.99-999.99 1 0 11.40-999 ?-999 ?-999 ? O1 GOL A 271 mVAL~A 175 31.30 32.07 18.92 30.65 31.32 19.05 33.44 30.94 18.61 32.86 30.11 17.94 32.69 32.03 19.35 32.81 31.86 20.87 3 0 14.45-999 ?-999 ?-999 ? O1 GOL A 271 mGLU~A 176 34.76 30.94 18.75 35.11 31.64 19.37 35.16 28.55 18.30 35.17 27.70 17.38 35.59 29.99 18.03 37.05 30.21 18.41 2 0 16.62-999 ?-999 ?-999 ? OXT ACT A 273 mGLU~A 177 34.76 28.28 19.53 34.74 29.07 20.14 33.10 26.44 19.19 32.84 25.25 19.10 34.38 26.91 19.92 34.21 26.81 21.43 2 0 19.46-999 ?-999 ?-999 ? O1 GOL A 271 mASP~A 178 32.36 27.38 18.60 32.69 28.31 18.75 31.48 26.60 16.38 30.55 26.11 15.69 31.19 27.04 17.81 30.23 28.23 17.78 2 0 17.30-999 ?-999 ?-999 ? O1 GOL A 271 mLEU~A 179 32.72 26.78 15.93 33.36 27.19 16.58 32.81 24.91 14.35 32.27 24.48 13.34 33.08 26.40 14.56 34.53 26.75 14.23 3 0 15.32-999 ?-999 ?-999 ? OXT ACT A 273 mGLU~A 180 33.16 24.11 15.35 33.58 24.57 16.13 31.46 22.35 15.10 31.14 21.34 14.46 32.93 22.68 15.27 33.47 22.00 16.52 2 0 18.03-999 ?-999 ?-999 ? OXT ACT A 273 mLYS~A 181 30.55 23.14 15.68 30.94 23.90 16.21 28.70 23.11 14.08 27.89 22.38 13.55 29.11 22.91 15.54 28.31 23.83 16.48 2 0 19.39-999 ?-999 ?-999 ? OXT ACT A 273 mILE~A 182 29.29 24.13 13.42 29.90 24.70 13.97 29.50 23.15 11.23 28.80 22.66 10.37 29.04 24.35 12.01 29.71 25.65 11.52 3 0 16.26-999 ?-999 ?-999 ? OXT ACT A 273 mGLN~A 183 30.71 22.68 11.49 31.21 23.23 12.16 30.34 20.23 11.03 30.08 19.48 10.08 31.24 21.47 10.84 32.65 21.17 11.32 2 0 16.57-999 ?-999 ?-999 ? OXT ACT A 273 mGLN~A 184 29.82 20.06 12.24 30.14 20.74 12.90 27.60 19.01 11.73 27.15 17.98 11.23 28.87 18.96 12.55 28.57 18.96 14.05 2 0 20.29-999 ?-999 ?-999 ? OXT ACT A 273 mVAL~A 185 27.07 20.21 11.53 27.56 20.94 12.00 26.20 20.03 9.25 25.42 19.38 8.56 25.88 20.43 10.70 25.51 21.94 10.73 3 0 19.85-999 ?-999 ?-999 ? OXT ACT A 273 mILE~A 186 27.35 20.50 8.78 27.89 21.04 9.43 27.94 18.69 7.23 27.43 18.10 6.28 27.75 20.19 7.41 29.05 20.91 7.01 3 0 17.75-999 ?-999 ?-999 ? OXT ACT A 273 mASP~A 187 28.67 18.07 8.15 28.96 18.65 8.91 27.77 15.75 8.16 27.77 14.62 7.70 29.02 16.65 8.04 30.06 16.27 9.07 2 0 20.24-999 ?-999 ?-999 ? OXT ACT A 273 mSER~A 188 26.73 16.27 8.81 26.86 17.19 9.17 24.65 15.47 7.73 23.60 14.79 7.72 25.51 15.53 8.98 24.68 16.13 10.13 2 0 23.10-999 ?-999 ?-999 ? OXT ACT A 273 mGLY.A 189 25.02 16.26 6.73 25.82 16.83 6.92 23.09 17.19 5.44 22.31 17.17 4.51 24.29 16.26 5.46-999.99-999.99-999.99 1 0 21.61-999 ?-999 ?-999 ? CH3 ACT A 272 mLYS.A 190 22.95 17.99 6.47 23.69 17.94 7.14 21.66 19.90 5.45 20.53 20.24 5.04 21.78 18.87 6.59 21.80 19.54 7.97 2 0 20.35-999 ?-999 ?-999 ? CH3 ACT A 272 mILE.A 191 22.78 20.38 4.90 23.62 19.95 5.24 22.71 20.83 2.49 23.58 20.05 2.14 22.74 21.43 3.89 23.96 22.38 4.01 3 0 16.73-999 ?-999 ?-999 ? CH3 ACT A 272 mSER.A 192 21.71 21.16 1.68 21.02 21.79 2.04 22.87 21.24 -0.39 23.15 22.45 -0.25 21.72 20.60 0.36 20.41 20.80 -0.39 2 0 16.78-999 ?-999 ?-999 ? OXT ACT A 272 mPRO.A 193 23.57 20.42 -1.19 23.21 19.49 -1.26 24.40 21.92 -2.97 25.27 22.67 -3.42 24.75 20.90 -1.89 25.34 19.63 -2.49 3 0 15.43-999 ?-999 ?-999 ? CH3 ACT A 272 mLYS.A 194 23.13 21.99 -3.35 22.53 21.37 -2.85 22.18 24.25 -3.88 21.99 25.18 -4.67 22.69 22.90 -4.41 21.61 22.22 -5.28 2 0 13.96-999 ?-999 ?-999 ? OXT ACT A 272 mLYS~A 195 22.01 24.38 -2.55 22.38 23.63 -2.00 22.33 26.61 -1.65 22.81 26.67 -0.53 21.31 25.55 -2.00 20.49 25.18 -0.76 2 0 11.83-999 ?-999 ?-999 ? OXT ACT A 272 mLYS~A 196 22.65 27.47 -2.62 22.11 27.38 -3.46 23.50 29.34 -1.23 24.48 29.70 -0.56 23.71 28.46 -2.45 23.84 29.33 -3.71 2 0 8.31-999 ?-999 ?-999 ? OXT ACT A 272 mASP~A 197 22.25 29.74 -0.95 21.54 29.34 -1.53 22.32 30.14 1.50 22.77 30.85 2.35 21.98 30.70 0.12 20.53 31.31 0.07 2 0 7.65-999 ?-999 ?-999 ? OXT ACT A 272 mGLU~A 198 22.13 28.84 1.69 21.72 28.36 0.91 24.03 28.17 3.12 24.50 28.37 4.21 22.51 28.21 2.94 21.90 26.80 3.02 2 0 10.85-999 ?-999 ?-999 ? OXT ACT A 272 mTRP~A 199 24.77 27.91 2.06 24.24 27.65 1.25 26.75 29.41 2.32 27.74 29.61 3.03 26.24 27.99 2.10 26.88 27.38 0.87 3 0 9.42-999 ?-999 ?-999 ? CH3 ACT A 272 mLEU~A 200 26.07 30.40 1.75 25.37 30.10 1.10 26.09 32.08 3.57 26.86 32.83 4.21 26.35 31.79 2.08 25.49 32.77 1.25 3 0 6.45-999 ?-999 ?-999 ? CH3 ACT A 272 mALA~A 201 24.98 31.57 4.11 24.38 31.08 3.47 25.82 31.15 6.40 26.20 31.74 7.41 24.69 31.74 5.52 23.31 31.16 5.84 2 0 9.68-999 ?-999 ?-999 ? CH3 ACT A 272 mILE~A 202 26.37 30.01 5.98 25.96 29.65 5.14 28.69 30.29 6.72 29.29 30.54 7.76 27.48 29.38 6.69 27.82 27.99 6.06 3 0 11.43-999 ?-999 ?-999 ? CH3 ACT A 272 mGLY~A 203 29.02 30.84 5.56 28.42 30.58 4.81 29.94 33.02 6.14 30.83 33.51 6.80 30.15 31.73 5.40-999.99-999.99-999.99 1 0 8.36-999 ?-999 ?-999 ? OXT ACT A 273 mILE~A 204 28.73 33.59 6.07 28.09 33.14 5.44 28.62 34.52 8.38 29.11 35.37 9.10 28.42 34.77 6.88 26.97 35.22 6.64 3 0 9.58-999 ?-999 ?-999 ? CH3 ACT A 272 mTHR~A 205 28.25 33.32 8.85 27.92 32.69 8.15 29.82 32.84 10.67 30.23 33.31 11.74 28.33 33.00 10.27 27.49 31.78 10.62 2 0 10.66-999 ?-999 ?-999 ? O1 GOL A 271 mVAL~A 206 30.63 32.24 9.82 30.19 31.88 9.00 32.67 33.53 10.19 33.46 33.82 11.08 32.06 32.13 10.09 32.77 31.29 9.02 3 0 9.89-999 ?-999 ?-999 ? OXT ACT A 273 mCYH~A 207 32.26 34.42 9.29 31.64 34.06 8.60 32.22 36.54 10.62 32.98 37.29 11.20 32.70 35.82 9.35 32.31 36.56 8.07 2 0 8.91-999 ?-999 ?-999 ? OXT ACT A 273 mALA~A 208 30.99 36.27 11.07 30.44 35.69 10.46 31.43 36.36 13.48 31.83 37.16 14.35 30.51 36.82 12.36 29.03 36.37 12.66 2 0 7.90-999 ?-999 ?-999 ? C3 GOL A 271 mILE~A 209 31.82 35.09 13.48 31.44 34.54 12.73 34.08 35.31 14.44 34.62 35.72 15.43 32.73 34.59 14.56 32.88 33.06 14.52 3 0 11.22-999 ?-999 ?-999 ? C3 GOL A 271 mLEU~A 210 34.61 35.48 13.23 34.11 35.03 12.49 35.67 37.65 13.68 36.60 38.14 14.35 35.82 36.26 13.05 36.16 36.39 11.55 3 0 11.36-999 ?-999 ?-999 ? OXT ACT A 273 mTHR~A 211 34.54 38.33 13.45 33.85 37.85 12.90 34.36 39.65 15.54 34.76 40.62 16.20 34.39 39.70 14.03 33.11 40.49 13.53 2 0 8.92-999 ?-999 ?-999 ? O3 GOL A 271 mASN~A 212 33.87 38.56 16.09 33.57 37.86 15.43 35.10 38.05 18.15 35.34 38.42 19.30 33.78 38.38 17.53 32.78 37.28 17.90 2 0 10.44-999 ?-999 ?-999 ? C3 GOL A 271 mGLU~A 213 35.98 37.38 17.41 35.74 37.29 16.45 38.48 37.53 17.61 39.48 37.45 18.34 37.20 36.83 18.00 37.32 35.37 17.62 2 0 13.95-999 ?-999 ?-999 ? C3 GOL A 271 mVAL~A 214 38.49 38.22 16.48 37.59 38.31 16.04 39.57 40.29 15.80 38.83 40.75 14.96 39.73 38.78 15.95 40.11 38.12 14.62 3 0 14.39-999 ?-999 ?-999 ? O3 GOL A 271 mGLU.A 215 40.27 41.06 16.61 40.81 40.58 17.30 40.67 42.92 15.09 41.61 42.36 14.52 40.22 42.50 16.48 41.13 43.15 17.53 2 0 14.00-999 ?-999 ?-999 ? O3 GOL A 271 mGLY.A 216 39.97 43.90 14.54 39.19 44.19 15.08 39.56 43.93 12.09 39.73 44.39 10.98 40.34 44.48 13.26-999.99-999.99-999.99 1 0 13.15-999 ?-999 ?-999 ? O3 GOL A 271 mMETA 217 38.70 42.93 12.36 38.77 42.60 13.30 36.52 43.21 11.40 35.86 43.28 12.43 37.77 42.37 11.38 37.33 40.97 11.81 2 0 10.66-999 ?-999 ?-999 ? O3 GOL A 271 mGLU^A 218 36.16 43.82 10.27 36.70 43.58 9.47 34.11 44.47 9.08 34.55 44.28 7.97 35.06 44.77 10.25 35.61 46.20 10.10 2 0 7.84-999 ?-999 ?-999 ? O3 GOL A 271 mTRP^A 219 32.81 44.43 9.34 32.57 44.49 10.31 31.83 45.53 7.33 31.85 46.65 7.83 31.87 44.28 8.22 30.43 44.01 8.72 3 0 -5.57-999 ?-999 ?-999 ? O3 GOL A 271s mLYS^A 220 31.73 45.30 6.02 31.79 44.33 5.79 30.58 45.82 3.99 30.29 44.61 3.95 31.56 46.34 5.01 32.87 46.59 4.29 2 0 7.91-999 ?-999 ?-999 ? O3 GOL A 271 mTHR^A 221 30.05 46.73 3.18 30.12 47.66 3.54 30.43 46.48 0.75 31.07 47.50 0.58 29.43 46.36 1.89 28.19 47.22 1.61 2 0 9.95-999 ?-999 ?-999 ? O3 GOL A 271 mLEU^A 222 30.53 45.40 -0.03 30.04 44.59 0.31 30.31 45.63 -2.38 29.32 44.88 -2.52 31.28 45.38 -1.25 31.94 44.01 -1.46 3 0 10.10-999 ?-999 ?-999 ? CH3 ACT A 272 mILE^A 223 30.63 46.65 -3.17 31.40 47.20 -2.85 30.91 46.63 -5.51 31.86 47.36 -5.72 29.92 46.96 -4.39 29.50 48.44 -4.46 3 0 10.54-999 ?-999 ?-999 ? O ACT A 272 mASP^A 224 30.66 45.53 -6.23 29.82 45.06 -5.97 30.67 44.75 -8.49 30.08 43.65 -8.59 31.56 45.07 -7.30 32.34 43.83 -6.85 2 0 9.72-999 ?-999 ?-999 ? O ACT A 272 mGLY.A 225 30.53 45.73 -9.36 31.06 46.55 -9.14 28.27 45.47 -9.99 27.83 46.29 -9.16 29.68 45.61 -10.52-999.99-999.99-999.99 1 0 10.83-999 ?-999 ?-999 ? O ACT A 272 mASN.A 226 27.60 44.42 -10.43 28.12 43.83 -11.05 26.17 43.35 -8.74 25.09 43.15 -8.17 26.23 44.16 -10.04 25.48 43.44 -11.17 2 0 9.11-999 ?-999 ?-999 ? O ACT A 272 mARG^A 227 27.33 42.95 -8.23 28.14 43.18 -8.77 27.49 43.20 -5.80 28.32 44.10 -5.78 27.42 42.23 -6.98 28.63 41.30 -6.99 2 0 -5.88-999 ?-999 ?-999 ? O ACT A 272s mGLU^A 228 26.55 43.06 -4.87 25.93 42.30 -5.09 26.22 42.99 -2.48 25.14 42.45 -2.29 26.41 43.89 -3.68 25.20 44.84 -3.81 2 0 7.23-999 ?-999 ?-999 ? O ACT A 272 mVAL^A 229 27.27 42.82 -1.68 28.02 43.47 -1.86 28.05 42.21 0.63 28.85 43.12 0.57 27.31 41.78 -0.64 28.01 40.50 -1.18 3 0 -6.09-999 ?-999 ?-999 ? CH3 ACT A 272s mPRO^A 230 27.74 41.56 1.78 26.98 40.92 1.71 29.83 41.09 2.95 29.86 39.93 2.54 28.50 41.81 3.01 27.63 41.23 4.11 3 0 8.10-999 ?-999 ?-999 ? CH3 ACT A 272 mVAL^A 231 30.90 41.76 3.38 30.69 42.70 3.66 32.92 41.70 4.68 32.45 42.65 5.30 32.24 41.19 3.43 33.11 41.51 2.18 3 0 8.01-999 ?-999 ?-999 ? CH3 ACT A 273 mLEU^A 232 34.06 41.10 5.02 34.29 40.27 4.51 36.06 42.38 5.44 36.62 41.93 4.42 34.88 41.67 6.07 35.44 40.59 7.00 3 0 8.36-999 ?-999 ?-999 ? CH3 ACT A 273 mGLU^A 233 36.51 43.42 6.11 35.90 43.74 6.83 38.78 43.79 6.95 38.40 43.94 8.10 37.81 44.03 5.79 37.65 45.53 5.53 2 0 9.57-999 ?-999 ?-999 ? CH3 ACT A 273 mTYR^A 234 40.01 43.37 6.62 40.15 43.30 5.63 42.41 43.19 7.02 42.68 42.65 5.97 41.03 43.05 7.63 40.82 41.62 8.11 3 0 10.52-999 ?-999 ?-999 ? CH3 ACT A 273 mGLN.A 235 43.31 43.92 7.68 42.94 44.38 8.49 44.89 44.27 5.75 45.69 43.64 5.03 44.71 44.02 7.25 45.52 42.83 7.75 2 0 12.23-999 ?-999 ?-999 ? O ACT A 273 mGLY.A 236 44.17 45.28 5.30 43.64 45.74 6.02 43.58 44.70 2.90 43.79 44.88 1.69 44.15 45.68 3.91-999.99-999.99-999.99 1 0 12.12-999 ?-999 ?-999 ? CH3 ACT A 273 mARG^A 237 42.86 43.67 3.36 42.78 43.58 4.35 40.80 42.49 2.77 40.32 42.85 3.84 42.27 42.76 2.43 43.08 41.48 2.29 2 0 8.38-999 ?-999 ?-999 ? CH3 ACT A 273 mTHR^A 238 40.13 41.85 1.82 40.67 41.63 1.01 38.60 40.01 2.22 39.30 39.21 1.62 38.72 41.50 1.95 37.98 41.88 0.66 2 0 5.76-999 ?-999 ?-999 ? CH3 ACT A 273 mILE^A 239 37.71 39.65 3.15 37.31 40.42 3.64 35.86 38.12 3.07 35.02 38.79 3.65 37.34 38.26 3.41 37.56 37.88 4.89 3 0 -3.63-999 ?-999 ?-999 ? CH3 ACT A 273s mASP~A 240 35.59 37.28 2.09 36.37 36.70 1.84 33.59 35.95 1.94 34.01 34.86 1.71 34.28 37.20 1.43 34.47 37.16 -0.09 2 0 -3.67-999 ?-999 ?-999 ? CH3 ACT A 273s mPRO~A 241 32.46 36.11 2.64 32.21 37.06 2.84 31.40 33.90 2.00 31.31 32.71 2.30 31.68 34.95 3.08 30.36 35.58 3.52 3 0 5.92-999 ?-999 ?-999 ? OXT ACT A 273 mMETA 242 31.26 34.34 0.75 31.39 35.32 0.65 32.12 32.46 -0.56 31.93 31.30 -0.92 30.95 33.43 -0.35 30.70 34.22 -1.64 2 0 -4.69-999 ?-999 ?-999 ? CH3 ACT A 272s mLYS~A 243 33.32 32.94 -0.34 33.33 33.89 -0.02 34.90 31.25 0.64 35.83 30.46 0.56 34.52 32.12 -0.56 35.67 33.02 -0.95 2 0 -4.34-999 ?-999 ?-999 ? OXT ACT A 273s mILE~A 244 34.18 31.38 1.74 33.49 32.10 1.70 33.92 29.11 2.61 34.57 28.15 2.97 34.40 30.54 2.89 33.67 31.08 4.17 3 0 4.72-999 ?-999 ?-999 ? OXT ACT A 273 mALA~A 245 32.75 28.98 2.00 32.36 29.84 1.67 31.60 27.44 0.43 31.89 26.41 -0.17 32.11 27.67 1.85 30.99 27.47 2.85 2 0 8.31-999 ?-999 ?-999 ? OXT ACT A 273 mTRP~A 246 30.85 28.40 -0.12 30.83 29.26 0.39 31.08 27.96 -2.56 30.87 27.06 -3.37 30.15 28.17 -1.38 29.20 29.32 -1.67 3 0 8.30-999 ?-999 ?-999 ? CH3 ACT A 272 mSER~A 247 32.12 28.78 -2.65 32.20 29.47 -1.94 33.59 27.19 -3.78 33.73 26.62 -4.84 33.05 28.63 -3.75 34.18 29.65 -3.66 2 0 9.05-999 ?-999 ?-999 ? OXT ACT A 273 mLYS~A 248 33.81 26.60 -2.61 33.60 27.18 -1.81 33.29 24.19 -2.88 33.55 23.28 -3.66 34.34 25.23 -2.53 34.86 24.96 -1.12 2 0 10.39-999 ?-999 ?-999 ? OXT ACT A 273 mVAL~A 249 32.12 24.33 -2.29 32.08 25.11 -1.65 30.62 23.45 -4.03 30.41 22.39 -4.63 31.00 23.43 -2.54 29.79 23.79 -1.63 3 0 13.00-999 ?-999 ?-999 ? CH3 ACT A 272 mLYS~A 250 30.61 24.63 -4.63 30.81 25.40 -4.02 31.35 24.02 -6.89 31.00 23.39 -7.89 30.33 24.80 -6.05 30.35 26.30 -6.41 2 0 12.02-999 ?-999 ?-999 ? CH3 ACT A 272 mALA~A 251 32.60 24.03 -6.46 32.72 24.54 -5.61 33.79 21.88 -6.82 34.67 21.20 -7.34 33.69 23.37 -7.15 34.98 24.05 -6.79 2 0 14.56-999 ?-999 ?-999 ? OXT ACT A 273 mGLY.A 252 32.91 21.37 -5.98 32.20 22.01 -5.68 34.07 19.70 -4.52 34.47 18.54 -4.34 32.99 19.98 -5.55-999.99-999.99-999.99 1 0 16.58-999 ?-999 ?-999 ? OXT ACT A 273 mGLN.A 253 34.55 20.74 -3.83 34.15 21.62 -4.06 34.96 20.48 -1.44 33.85 20.99 -1.23 35.59 20.55 -2.84 36.61 21.68 -2.89 2 0 14.47-999 ?-999 ?-999 ? OXT ACT A 273 mPRO.A 254 35.66 19.85 -0.49 36.50 19.41 -0.80 35.18 21.20 1.50 35.98 22.06 1.14 35.21 19.82 0.90 36.28 18.98 1.61 3 0 14.44-999 ?-999 ?-999 ? OXT ACT A 273 mCYH.A 255 34.24 21.40 2.41 33.57 20.65 2.48 34.73 22.22 4.61 34.06 21.51 5.38 34.17 22.58 3.23 32.74 23.08 3.35 2 0 11.98-999 ?-999 ?-999 ? OXT ACT A 273 mASN~A 256 35.97 22.64 4.89 36.44 23.07 4.13 36.54 23.85 6.87 37.33 24.74 6.55 36.57 22.49 6.20 37.99 21.96 6.06 2 0 12.32-999 ?-999 ?-999 ? OXT ACT A 273 mILE~A 257 35.62 24.00 7.82 35.14 23.15 8.05 36.55 25.78 9.30 36.91 26.96 9.26 35.35 25.27 8.48 34.10 25.13 9.40 3 0 11.09-999 ?-999 ?-999 ? OXT ACT A 273 mALA~A 258 37.16 24.91 10.08 36.76 23.99 10.05 39.40 25.83 10.00 40.06 26.87 10.30 38.31 25.29 10.91 38.81 24.10 11.72 2 0 12.50-999 ?-999 ?-999 ? OXT ACT A 273 mGLU~A 259 39.65 25.17 8.88 39.08 24.35 8.73 40.35 26.98 7.30 41.20 27.85 7.14 40.68 25.64 7.96 40.93 24.61 6.87 2 0 10.79-999 ?-999 ?-999 ? OXT ACT A 273 mALA~A 260 39.10 27.17 6.91 38.48 26.40 7.11 38.82 29.57 7.24 39.25 30.65 6.86 38.69 28.40 6.27 37.24 28.29 5.75 2 0 7.18-999 ?-999 ?-999 ? OXT ACT A 273 mTYR~A 261 38.45 29.33 8.49 38.11 28.40 8.64 39.99 30.76 9.75 40.33 31.95 9.68 38.54 30.34 9.54 37.94 29.78 10.81 3 0 8.45-999 ?-999 ?-999 ? OXT ACT A 273 mGLN~A 262 40.87 29.79 9.91 40.49 28.86 9.91 42.89 30.83 8.87 43.73 31.74 9.02 42.29 30.11 10.09 43.10 28.88 10.47 2 0 10.19-999 ?-999 ?-999 ? O ACT A 273 mSER~A 263 42.52 30.36 7.68 41.88 29.60 7.73 42.61 32.38 6.31 43.39 33.20 5.80 43.00 30.92 6.44 42.41 30.15 5.27 2 0 7.20-999 ?-999 ?-999 ? O ACT A 273 mALA~A 264 41.40 32.71 6.78 40.85 31.94 7.12 41.92 34.97 7.56 42.26 36.10 7.15 40.95 34.11 6.77 39.52 34.24 7.33 2 0 5.57-999 ?-999 ?-999 ? O ACT A 273 mILE~A 265 42.37 34.45 8.69 42.05 33.52 8.85 44.70 35.28 9.06 45.26 36.37 9.01 43.27 35.19 9.60 43.23 34.55 11.01 3 0 9.04-999 ?-999 ?-999 ? O ACT A 273 mASP~A 266 45.36 34.15 8.74 44.80 33.31 8.78 47.03 34.17 6.84 48.16 34.26 6.40 46.78 34.16 8.35 47.55 33.06 9.10 2 0 10.13-999 ?-999 ?-999 ? O ACT A 273 mHIS~A 267 45.93 34.11 6.05 45.06 33.98 6.53 46.92 33.13 3.95 47.56 33.37 2.93 46.04 34.22 4.60 46.58 35.64 4.31 3 0 7.37-999 ?-999 ?-999 ? O ACT A 273 mHIS.A 268 46.95 31.95 4.57 46.45 31.94 5.44 46.75 29.55 4.09 45.58 29.61 4.34 47.66 30.77 4.04 48.91 30.48 4.87 3 0 9.50-999 ?-999 ?-999 ? O ACT A 273 mGLY.B 0 -1.45 48.44 -26.13 -0.86 49.14 -25.74 -1.50 46.32 -27.41 -0.26 46.35 -27.32 -2.34 47.38 -26.71-999.99-999.99-999.99 1 0 7.58-999 ?-999 ?-999 ? O3 GOL B 269 mMETB 1 -2.16 45.39 -28.10 -3.15 45.53 -28.15 -0.62 44.67 -29.95 0.35 43.96 -30.34 -1.45 44.26 -28.74 -2.43 43.17 -29.18 2 0 4.44-999 ?-999 ?-999 ? CA CA B 272s mGLN.B 2 -0.99 45.78 -30.58 -1.84 46.19 -30.25 0.95 47.19 -31.11 1.83 47.64 -31.88 -0.19 46.33 -31.67 -1.04 47.17 -32.60 2 0 -3.78-999 ?-999 ?-999 ? O2 GOL B 269s mGLY.B 3 0.94 47.46 -29.80 0.15 47.09 -29.31 2.03 49.70 -29.61 0.95 50.32 -29.73 2.03 48.23 -29.17-999.99-999.99-999.99 1 0 3.97-999 ?-999 ?-999 ? C3 GOL B 269 mLYS^B 4 3.21 50.26 -29.74 3.97 49.64 -29.57 4.08 51.69 -31.49 5.02 50.93 -31.73 3.41 51.65 -30.10 4.36 52.31 -29.07 2 0 6.72-999 ?-999 ?-999 ? C3 GOL B 269 mLYS^B 5 3.63 52.58 -32.35 2.83 53.09 -32.04 5.34 53.82 -33.56 5.17 54.88 -32.96 4.25 52.81 -33.65 3.22 53.31 -34.66 2 0 8.13-999 ?-999 ?-999 ? C2 GOL B 269 mPHE^B 6 6.46 53.47 -34.18 6.45 52.53 -34.53 7.77 54.55 -35.82 7.82 53.59 -36.58 7.59 54.35 -34.34 8.84 53.72 -33.75 3 0 9.65-999 ?-999 ?-999 ? O2 GOL A 270 mILE^B 7 7.86 55.80 -36.23 7.59 56.46 -35.54 9.61 56.98 -37.43 9.70 57.87 -36.60 8.32 56.17 -37.58 7.25 57.02 -38.31 3 0 12.42-999 ?-999 ?-999 ? O2 GOL A 270 mSER.B 8 10.61 56.58 -38.19 10.36 55.89 -38.87 12.07 58.55 -38.65 11.22 58.98 -39.41 11.96 57.15 -38.02 12.99 56.21 -38.63 2 0 13.05-999 ?-999 ?-999 ? O2 GOL A 270 mPRO~B 9 13.16 59.28 -38.34 13.77 58.90 -37.64 13.43 60.45 -40.52 14.09 59.56 -41.07 13.38 60.57 -39.01 14.74 60.99 -38.48 3 0 13.34-999 ?-999 ?-999 ? CH3 ACT B 270 mGLY~B 10 12.72 61.34 -41.22 12.28 62.06 -40.68 11.70 60.12 -43.12 11.56 59.86 -44.30 12.60 61.24 -42.65-999.99-999.99-999.99 1 0 13.29-999 ?-999 ?-999 ? CH3 ACT B 270 mALA~B 11 11.12 59.41 -42.14 11.37 59.72 -41.22 10.86 57.23 -43.24 10.20 56.63 -44.10 10.21 58.30 -42.37 8.86 58.79 -42.97 2 0 15.40-999 ?-999 ?-999 ? O ACT B 270 mTRP.B 12 12.14 56.97 -43.01 12.58 57.57 -42.33 12.23 54.54 -43.35 12.11 53.64 -44.19 12.82 55.88 -43.71 14.29 55.81 -43.36 3 0 17.70-999 ?-999 ?-999 ? O1 GOL B 269 mPHE^B 13 11.85 54.38 -42.09 11.99 55.19 -41.52 10.23 53.30 -40.54 10.15 54.37 -39.95 11.27 53.12 -41.64 12.41 52.16 -41.26 3 0 13.99-999 ?-999 ?-999 ? O1 GOL B 269 mSER^B 14 9.38 52.28 -40.36 9.50 51.54 -41.02 8.40 50.88 -38.70 8.84 49.92 -39.37 8.37 52.26 -39.31 6.99 52.58 -39.89 2 0 11.01-999 ?-999 ?-999 ? O1 GOL B 269 mMETB 15 7.90 50.75 -37.47 7.55 51.61 -37.08 6.94 49.69 -35.58 6.61 50.82 -35.25 7.84 49.49 -36.76 9.22 49.07 -36.28 2 0 7.21-999 ?-999 ?-999 ? O1 GOL B 269 mASN^B 16 6.51 48.59 -34.98 6.78 47.75 -35.45 6.44 47.88 -32.65 7.01 46.83 -32.90 5.72 48.63 -33.74 4.34 48.02 -33.96 2 0 -4.53-999 ?-999 ?-999 ? C2 GOL B 269s mTYR^B 17 6.43 48.43 -31.44 5.87 49.26 -31.38 6.29 47.82 -29.06 5.26 48.49 -29.01 7.15 47.87 -30.30 8.47 48.63 -30.06 3 0 -3.60-999 ?-999 ?-999 ? O1 GOL B 269s mPRO.B 18 6.66 46.97 -28.10 7.52 46.47 -28.22 5.44 48.13 -26.20 6.29 48.99 -25.99 5.77 46.83 -26.97 6.52 45.85 -26.07 3 0 4.12-999 ?-999 ?-999 ? C3 GOL B 269 mSER.B 19 4.16 48.28 -25.86 3.54 47.54 -26.11 4.50 49.75 -23.85 4.63 50.91 -23.46 3.75 49.48 -25.16 2.27 49.39 -24.85 2 0 6.77-999 ?-999 ?-999 ? C3 GOL B 269 mASP.B 20 4.95 48.70 -23.18 4.78 47.82 -23.61 7.06 49.37 -22.08 7.73 49.71 -21.11 5.64 48.87 -21.90 5.67 47.55 -21.11 2 0 9.27-999 ?-999 ?-999 ? C1 GOL A 270 mTRP.B 21 7.53 49.41 -23.31 6.92 49.03 -24.01 8.79 51.50 -23.64 7.76 52.07 -23.99 8.86 49.98 -23.55 9.47 49.44 -24.86 3 0 7.20-999 ?-999 ?-999 ? O2 GOL A 270 mASN^B 22 9.92 52.16 -23.35 10.64 51.60 -22.93 11.34 53.73 -24.47 12.17 52.81 -24.52 10.07 53.59 -23.65 10.22 54.43 -22.36 2 0 -3.79-999 ?-999 ?-999 ? O2 GOL A 270s mGLU^B 23 11.51 54.90 -25.10 10.78 55.55 -24.90 13.64 56.09 -25.17 13.26 56.96 -24.39 12.63 55.24 -25.98 12.19 56.12 -27.16 2 0 -3.75-999 ?-999 ?-999 ? O2 GOL A 270s mPHE^B 24 14.92 55.78 -25.37 15.05 55.06 -26.05 17.12 56.79 -25.63 17.14 56.33 -26.76 16.01 56.44 -24.65 16.51 55.50 -23.53 3 0 5.33-999 ?-999 ?-999 ? O3 GOL A 270 mGLU.B 25 18.03 57.67 -25.21 17.94 57.93 -24.25 20.09 57.11 -26.43 20.59 56.48 -25.48 19.06 58.19 -26.13 19.73 59.38 -25.47 2 0 8.55-999 ?-999 ?-999 ? O3 GOL A 270 mASP.B 26 20.45 56.97 -27.71 19.95 57.58 -28.32 22.55 56.60 -29.08 23.33 55.85 -29.66 21.50 56.01 -28.14 20.87 54.81 -28.84 2 0 11.73-999 ?-999 ?-999 ? O3 GOL A 270 mGLY.B 27 22.53 57.91 -29.30 21.83 58.40 -28.77 22.91 58.74 -31.62 21.84 58.23 -31.94 23.47 58.56 -30.23-999.99-999.99-999.99 1 0 14.35-999 ?-999 ?-999 ? O3 GOL A 270 mGLU.B 28 23.63 59.51 -32.44 24.50 59.79 -32.05 22.93 58.66 -34.63 23.79 57.80 -34.75 23.18 59.89 -33.78 24.24 60.78 -34.46 2 0 16.18-999 ?-999 ?-999 ? C3 GOL A 270 mGLY.B 29 21.72 58.54 -35.17 21.06 59.23 -34.86 20.99 56.12 -35.56 20.67 55.24 -36.33 21.40 57.48 -36.13-999.99-999.99-999.99 1 0 16.23-999 ?-999 ?-999 ? O2 GOL A 270 mSER^B 30 20.96 55.99 -34.23 21.28 56.80 -33.74 19.38 55.12 -32.59 19.30 56.26 -32.13 20.50 54.75 -33.56 21.63 54.08 -32.79 2 0 14.07-999 ?-999 ?-999 ? O2 GOL A 270 mPHE^B 31 18.49 54.16 -32.31 18.70 53.29 -32.75 17.31 53.16 -30.51 17.55 52.03 -30.89 17.33 54.35 -31.45 16.06 54.37 -32.30 3 0 10.43-999 ?-999 ?-999 ? O2 GOL A 270 mLEU^B 32 17.05 53.45 -29.26 16.79 54.41 -29.18 15.78 52.47 -27.39 15.22 53.52 -27.10 17.12 52.49 -28.13 18.18 52.95 -27.16 3 0 9.40-999 ?-999 ?-999 ? O2 GOL A 270 mPHE^B 33 15.31 51.27 -27.08 15.88 50.50 -27.35 14.21 49.97 -25.37 14.84 48.96 -25.61 14.06 51.08 -26.40 12.92 50.68 -27.38 3 0 7.61-999 ?-999 ?-999 ? O2 GOL A 270 mTYR^B 34 13.60 50.18 -24.22 13.21 51.09 -24.14 12.40 49.44 -22.19 11.90 50.59 -22.16 13.52 49.13 -23.17 14.85 48.92 -22.44 3 0 8.95-999 ?-999 ?-999 ? O3 GOL A 270 mASN.B 35 12.00 48.42 -21.44 12.42 47.55 -21.68 11.73 49.10 -19.14 12.60 48.46 -18.53 11.04 48.55 -20.37 10.39 47.21 -20.04 2 0 9.55-999 ?-999 ?-999 ? O3 GOL A 270 mPRO.B 36 11.33 50.30 -18.71 10.55 50.72 -19.20 11.57 50.39 -16.24 12.21 50.72 -15.24 12.02 50.92 -17.60 11.63 52.40 -17.74 3 0 8.71-999 ?-999 ?-999 ? O3 GOL A 270 mASP.B 37 10.48 49.63 -16.21 10.09 49.43 -17.11 10.54 47.81 -14.61 11.26 47.70 -13.61 9.93 49.14 -14.96 8.42 49.03 -15.05 2 0 11.79-999 ?-999 ?-999 ? O3 GOL A 270 mVAL.B 38 10.20 46.79 -15.40 9.49 47.00 -16.07 11.50 45.21 -16.62 10.84 44.95 -17.63 10.82 45.49 -15.29 9.82 44.39 -14.92 3 0 14.45-999 ?-999 ?-999 ? O3 GOL A 270 mTRP.B 39 12.82 45.19 -16.59 13.20 45.20 -15.67 13.59 43.82 -18.42 13.74 42.81 -17.73 13.63 45.16 -17.79 15.07 45.47 -17.42 3 0 13.82-999 ?-999 ?-999 ? O3 GOL A 270 mTHR.B 40 13.40 43.79 -19.73 13.23 44.69 -20.13 14.49 42.58 -21.58 14.50 41.71 -22.43 13.43 42.57 -20.49 12.09 42.29 -21.15 2 0 13.30-999 ?-999 ?-999 ? O1 GOL B 269 mGLY.B 41 15.38 43.59 -21.59 15.24 44.26 -20.87 16.42 45.06 -23.31 15.41 45.78 -23.30 16.45 43.70 -22.58-999.99-999.99-999.99 1 0 13.50-999 ?-999 ?-999 ? O1 GOL B 269 mASN^B 42 17.53 45.39 -23.94 18.26 44.70 -23.87 17.58 46.38 -26.15 18.43 45.67 -26.72 17.67 46.66 -24.66 19.02 47.29 -24.36 2 0 12.98-999 ?-999 ?-999 ? O3 GOL A 270 mPHE^B 43 16.60 47.00 -26.81 16.02 47.56 -26.22 16.96 48.13 -28.91 16.61 49.25 -28.54 16.39 46.88 -28.24 14.91 46.71 -28.60 3 0 10.73-999 ?-999 ?-999 ? O1 GOL B 269 mARG^B 44 17.85 47.95 -29.91 18.13 47.00 -30.05 18.13 48.77 -32.21 18.19 47.65 -32.68 18.35 49.04 -30.72 19.83 49.23 -30.47 2 0 12.71-999 ?-999 ?-999 ? O1 GOL B 269 mILE^B 45 17.89 49.85 -32.94 17.77 50.69 -32.42 18.51 50.99 -34.98 18.42 52.10 -34.49 17.82 49.78 -34.39 16.35 49.64 -34.88 3 0 12.77-999 ?-999 ?-999 ? O1 GOL B 269 mSER^B 46 19.24 50.76 -36.07 19.34 49.79 -36.29 19.63 51.51 -38.32 19.61 50.33 -38.68 19.84 51.85 -36.87 21.35 51.97 -36.63 2 0 16.08-999 ?-999 ?-999 ? O1 GOL B 269 mALA^B 47 19.48 52.55 -39.14 19.45 53.45 -38.69 20.34 53.29 -41.28 20.62 54.38 -40.83 19.38 52.37 -40.58 17.96 52.71 -41.02 2 0 17.51-999 ?-999 ?-999 ? O1 GOL B 269 mPHE^B 48 20.76 52.87 -42.47 20.32 52.02 -42.78 21.35 53.42 -44.72 20.94 52.35 -45.11 21.75 53.57 -43.26 23.12 52.92 -43.00 3 0 21.19-999 ?-999 ?-999 ? O1 GOL B 269 mLYS^B 49 21.47 54.49 -45.51 21.72 55.32 -45.01 22.54 54.59 -47.74 23.40 55.39 -47.35 21.23 54.42 -46.97 20.22 55.47 -47.45 2 0 23.44-999 ?-999 ?-999 ? O1 GOL B 269 mGLY.B 50 22.68 53.86 -48.84 21.91 53.25 -49.05 23.47 53.66 -51.11 22.50 54.19 -51.59 23.83 53.94 -49.66-999.99-999.99-999.99 1 0 26.71-999 ?-999 ?-999 ? O1 GOL B 269 mASN.B 51 24.36 52.94 -51.79 25.13 52.62 -51.24 23.06 51.70 -53.47 22.38 51.30 -52.56 24.24 52.64 -53.21 25.56 52.15 -53.78 2 0 -29.08-999 ?-999 ?-999 ? O1 GOL B 269s mALA.B 52 22.80 51.40 -54.73 23.51 51.68 -55.38 21.43 49.31 -54.50 20.32 48.81 -54.31 21.54 50.72 -55.09 21.41 50.62 -56.59 2 0 -28.54-999 ?-999 ?-999 ? O1 GOL B 269s mSER~B 53 22.57 48.69 -54.23 23.37 49.25 -54.45 23.01 47.28 -52.18 23.41 46.23 -51.65 22.63 47.33 -53.67 23.59 46.49 -54.45 2 0 -27.45-999 ?-999 ?-999 ? O1 GOL B 269s mTYR~B 54 22.84 48.39 -51.47 22.32 49.11 -51.94 22.78 47.52 -49.13 23.47 46.94 -48.29 23.40 48.51 -50.12 23.19 49.94 -49.65 3 0 25.36-999 ?-999 ?-999 ? O1 GOL B 269 mGLY~B 55 21.47 47.37 -49.20 21.03 47.93 -49.91 21.20 44.99 -48.45 21.63 44.37 -47.46 20.76 46.44 -48.31-999.99-999.99-999.99 1 0 22.03-999 ?-999 ?-999 ? O1 GOL B 269 mLYS~B 56 21.11 44.45 -49.66 20.75 45.04 -50.39 23.01 42.89 -49.57 23.44 41.87 -49.05 21.52 43.07 -49.84 21.17 42.54 -51.23 2 0 23.66-999 ?-999 ?-999 ? O1 GOL B 269 mASP~B 57 23.82 43.87 -49.95 23.36 44.63 -50.41 25.57 43.73 -48.22 26.49 43.02 -47.83 25.24 43.82 -49.71 25.91 45.06 -50.28 2 0 -26.06-999 ?-999 ?-999 ? O1 GOL B 269s mALA~B 58 24.81 44.44 -47.39 24.11 44.99 -47.85 24.74 43.01 -45.39 25.45 42.54 -44.51 25.01 44.41 -45.94 24.11 45.48 -45.26 2 0 23.41-999 ?-999 ?-999 ? O1 GOL B 269 mILE~B 59 23.70 42.37 -45.90 23.21 42.87 -46.60 24.52 40.07 -45.80 25.00 39.32 -44.98 23.37 41.00 -45.41 22.08 40.50 -46.00 3 0 22.09-999 ?-999 ?-999 ? O1 GOL B 269 mARG~B 60 24.96 40.14 -47.05 24.49 40.81 -47.63 27.33 39.55 -46.73 28.09 38.63 -46.41 26.05 39.28 -47.51 26.27 39.40 -49.00 2 0 25.75-999 ?-999 ?-999 ? O1 GOL B 269 mGLN~B 61 27.59 40.81 -46.44 26.89 41.46 -46.73 28.85 40.55 -44.37 29.88 40.08 -43.92 28.81 41.16 -45.76 28.96 42.68 -45.69 2 0 26.65-999 ?-999 ?-999 ? O1 GOL B 269 mGLU~B 62 27.71 40.56 -43.68 26.93 40.95 -44.16 27.84 38.50 -42.37 28.59 37.93 -41.57 27.66 40.02 -42.32 26.34 40.38 -41.64 2 0 24.16-999 ?-999 ?-999 ? O1 GOL B 269 mLEU~B 63 27.17 37.85 -43.32 26.59 38.43 -43.90 28.76 36.01 -43.74 29.23 34.98 -43.24 27.32 36.39 -43.46 26.46 35.84 -44.59 3 0 25.33-999 ?-999 ?-999 ? O1 GOL B 269 mLYS~B 64 29.45 36.82 -44.53 28.93 37.62 -44.84 31.82 36.77 -43.71 32.71 35.93 -43.47 30.85 36.56 -44.88 31.25 37.49 -46.02 2 0 28.88-999 ?-999 ?-999 ? O1 GOL B 269 mGLU~B 65 31.69 37.90 -43.04 30.92 38.46 -43.34 32.35 37.51 -40.68 33.26 37.32 -39.91 32.59 38.28 -41.96 32.42 39.75 -41.60 2 0 28.78-999 ?-999 ?-999 ? O1 GOL B 269 mASN~B 66 31.10 37.16 -40.40 30.45 37.35 -41.13 30.37 35.09 -39.35 29.24 34.80 -39.75 30.75 36.56 -39.13 29.56 37.33 -38.54 2 0 26.64-999 ?-999 ?-999 ? O1 GOL B 269 mASP.B 67 31.28 34.16 -39.04 32.14 34.50 -38.67 29.86 32.26 -38.34 29.25 31.24 -38.65 30.99 32.75 -39.25 32.22 31.85 -39.04 2 0 28.27-999 ?-999 ?-999 ? O1 GOL B 269 mSER.B 68 29.62 32.93 -37.22 30.25 33.69 -37.05 27.18 33.13 -36.80 26.16 32.84 -36.18 28.53 32.56 -36.34 28.83 33.00 -34.89 2 0 25.56-999 ?-999 ?-999 ? O1 GOL B 269 mALA.B 69 27.16 33.94 -37.87 28.06 34.18 -38.24 25.25 33.35 -39.30 25.96 32.62 -40.01 25.88 34.41 -38.41 26.07 35.69 -39.20 2 0 22.94-999 ?-999 ?-999 ? O1 GOL B 269 mSER^B 70 23.93 33.27 -39.27 23.51 33.80 -38.53 21.96 33.26 -40.74 21.51 34.21 -40.10 23.17 32.48 -40.25 22.74 31.15 -39.65 2 0 22.35-999 ?-999 ?-999 ? O1 GOL B 269 mLEU^B 71 21.42 32.84 -41.87 21.81 32.00 -42.24 19.04 33.04 -41.94 18.78 31.83 -41.93 20.35 33.55 -42.52 20.41 33.30 -44.03 3 0 20.80-999 ?-999 ?-999 ? O1 GOL B 269 mVAL^B 72 18.24 33.94 -41.38 18.62 34.86 -41.37 15.90 34.59 -41.45 16.23 35.72 -41.77 16.92 33.61 -40.85 16.92 33.63 -39.31 3 0 17.74-999 ?-999 ?-999 ? O1 GOL B 269 mLYS^B 73 14.66 34.15 -41.63 14.51 33.20 -41.36 12.73 35.42 -41.05 12.23 34.58 -40.29 13.63 35.00 -42.19 12.84 34.29 -43.30 2 0 15.89-999 ?-999 ?-999 ? C1 GOL B 269 mILE^B 74 12.53 36.73 -40.93 13.03 37.29 -41.58 10.70 38.23 -40.64 11.12 39.25 -41.17 11.65 37.28 -39.92 12.40 38.03 -38.83 3 0 12.12-999 ?-999 ?-999 ? C1 GOL B 269 mGLY.B 75 9.43 37.88 -40.68 9.18 37.09 -40.13 8.98 38.58 -42.96 9.25 37.50 -43.46 8.52 38.65 -41.51-999.99-999.99-999.99 1 0 11.28-999 ?-999 ?-999 ? C1 GOL B 269 mTHR.B 76 9.13 39.73 -43.59 8.89 40.53 -43.03 11.13 39.85 -45.04 11.70 39.77 -46.15 9.60 39.83 -44.96 9.05 41.13 -45.67 2 0 14.15-999 ?-999 ?-999 ? C1 GOL B 269 mTRP^B 77 11.82 39.94 -43.90 11.26 39.78 -43.08 14.16 39.03 -43.88 14.04 38.18 -43.02 13.26 40.24 -43.89 13.58 41.07 -42.64 3 0 14.66-999 ?-999 ?-999 ? O1 GOL B 269 mASP^B 78 15.15 39.03 -44.77 15.10 39.73 -45.49 17.27 38.67 -43.76 17.85 39.70 -44.10 16.23 38.06 -44.67 16.85 37.79 -46.04 2 0 17.54-999 ?-999 ?-999 ? O1 GOL B 269 mCYH^B 79 17.55 38.01 -42.63 17.10 37.12 -42.54 19.65 37.71 -41.42 19.51 36.49 -41.30 18.44 38.59 -41.62 17.71 38.70 -40.28 2 0 16.70-999 ?-999 ?-999 ? O1 GOL B 269 mALA^B 80 20.82 38.34 -41.38 20.77 39.30 -41.67 22.07 37.83 -39.44 22.31 38.91 -38.90 22.05 37.69 -40.94 23.31 38.34 -41.61 2 0 19.41-999 ?-999 ?-999 ? O1 GOL B 269 mTYR^B 81 21.76 36.74 -38.76 21.73 35.93 -39.34 22.61 35.97 -36.57 23.09 34.90 -37.01 21.50 36.71 -37.32 20.15 36.01 -37.07 3 0 17.90-999 ?-999 ?-999 ? O1 GOL B 269 mSER^B 82 23.02 36.54 -35.44 22.56 37.41 -35.24 23.78 36.35 -33.16 23.06 37.31 -32.88 24.05 35.97 -34.59 25.45 36.46 -34.97 2 0 19.80-999 ?-999 ?-999 ? O1 GOL B 269 mLYS^B 83 24.36 35.57 -32.27 24.89 34.83 -32.69 25.62 35.70 -30.25 26.48 34.92 -30.73 24.23 35.76 -30.81 23.48 34.60 -30.16 2 0 19.85-999 ?-999 ?-999 ? O1 GOL B 269 mGLU^B 84 25.87 36.48 -29.22 25.11 37.06 -28.93 26.95 36.62 -27.08 26.21 37.50 -26.66 27.16 36.47 -28.58 27.97 37.63 -29.12 2 0 22.43-999 ?-999 ?-999 ? O1 GOL B 269 mMETB 85 27.58 35.73 -26.31 28.07 35.01 -26.80 28.63 36.80 -24.39 29.72 36.85 -24.93 27.56 35.82 -24.86 27.81 34.47 -24.22 2 0 20.12-999 ?-999 ?-999 ? O ACT A 272 mPHE^B 86 28.33 37.55 -23.33 27.37 37.52 -23.03 29.07 38.54 -21.25 27.97 38.28 -20.81 29.37 38.34 -22.71 29.53 39.68 -23.42 3 0 18.15-999 ?-999 ?-999 ? O ACT A 272 mGLN^B 87 30.08 38.98 -20.51 30.94 39.09 -21.01 30.30 40.72 -18.87 31.34 41.20 -19.36 29.94 39.26 -19.10 30.83 38.34 -18.29 2 0 14.81-999 ?-999 ?-999 ? O ACT A 272 mGLU.B 88 29.44 41.41 -18.12 28.66 40.87 -17.80 29.21 43.05 -16.35 28.15 42.61 -15.93 29.61 42.82 -17.81 28.76 43.67 -18.74 2 0 14.58-999 ?-999 ?-999 ? O ACT A 272 mGLU.B 89 30.08 43.71 -15.59 30.90 44.02 -16.07 29.44 42.66 -13.44 28.66 42.68 -12.48 29.81 43.96 -14.17 28.70 45.01 -13.98 2 0 12.12-999 ?-999 ?-999 ? O ACT A 272 mGLY.B 90 30.00 41.53 -13.90 30.55 41.64 -14.73 28.57 39.48 -13.74 28.37 38.31 -13.41 29.80 40.24 -13.24-999.99-999.99-999.99 1 0 9.52-999 ?-999 ?-999 ? O ACT A 272 mTHR^B 91 27.74 40.13 -14.55 28.06 41.04 -14.80 26.65 38.96 -16.43 27.32 39.57 -17.27 26.48 39.51 -15.01 25.36 40.54 -14.97 2 0 10.62-999 ?-999 ?-999 ? O ACT A 272 mTYR^B 92 26.06 37.80 -16.70 25.62 37.36 -15.92 24.89 37.71 -18.89 23.73 37.67 -18.44 26.08 37.25 -18.07 26.13 35.72 -18.05 3 0 13.35-999 ?-999 ?-999 ? O ACT A 272 mTYR^B 93 25.20 38.12 -20.11 26.18 38.09 -20.29 24.41 37.90 -22.43 25.45 37.31 -22.70 24.21 38.58 -21.09 24.38 40.09 -21.31 3 0 16.69-999 ?-999 ?-999 ? O ACT A 272 mTHR^B 94 23.38 38.01 -23.27 22.55 38.37 -22.86 23.10 38.81 -25.51 22.07 39.46 -25.26 23.46 37.62 -24.67 22.48 36.45 -24.99 2 0 19.64-999 ?-999 ?-999 ? O1 GOL B 269 mSER^B 95 23.93 39.08 -26.51 24.74 38.49 -26.54 23.25 39.48 -28.80 24.03 38.75 -29.43 23.69 40.11 -27.48 25.00 40.85 -27.71 2 0 18.27-999 ?-999 ?-999 ? O1 GOL B 269 mHIS^B 96 22.00 39.71 -29.16 21.48 40.22 -28.48 21.65 40.35 -31.44 21.37 41.52 -31.14 21.46 39.25 -30.42 19.95 38.94 -30.30 3 0 15.96-999 ?-999 ?-999 ? O1 GOL B 269 mLEU^B 97 22.04 39.98 -32.67 22.18 39.00 -32.79 21.60 40.42 -35.02 21.82 39.28 -35.40 22.25 40.95 -33.74 23.76 41.11 -34.00 3 0 16.32-999 ?-999 ?-999 ? O1 GOL B 269 mTRP^B 98 20.78 41.26 -35.64 20.58 42.10 -35.13 20.57 42.05 -37.92 20.27 43.22 -37.69 20.22 40.96 -36.96 18.68 40.92 -36.90 3 0 15.17-999 ?-999 ?-999 ? O1 GOL B 269 mILE^B 99 21.23 41.69 -39.03 21.50 40.73 -39.06 20.58 42.30 -41.24 20.52 41.15 -41.69 21.50 42.64 -40.09 22.97 42.56 -40.52 3 0 17.35-999 ?-999 ?-999 ? O1 GOL B 269 mTHR^B 100 19.84 43.28 -41.73 19.95 44.16 -41.25 18.94 44.35 -43.71 19.76 45.26 -43.50 18.96 43.08 -42.85 17.54 42.58 -42.45 2 0 16.85-999 ?-999 ?-999 ? O1 GOL B 269 mGLY^B 101 18.07 44.33 -44.71 17.52 43.50 -44.78 17.26 45.08 -46.90 16.95 43.92 -47.15 17.95 45.45 -45.62-999.99-999.99-999.99 1 0 18.11-999 ?-999 ?-999 ? O1 GOL B 269 mTHR^B 102 17.03 46.10 -47.71 17.28 46.99 -47.33 16.78 47.16 -49.84 16.89 48.26 -49.31 16.46 45.94 -49.02 14.94 45.73 -48.97 2 0 20.09-999 ?-999 ?-999 ? O1 GOL B 269 mGLY.B 103 17.00 46.99 -51.12 16.97 46.04 -51.44 18.48 48.88 -51.43 19.49 48.25 -51.17 17.26 48.15 -51.96-999.99-999.99-999.99 1 0 23.28-999 ?-999 ?-999 ? O1 GOL B 269 mASN.B 104 18.38 50.19 -51.29 17.48 50.56 -51.53 19.54 51.23 -49.30 20.33 52.05 -48.86 19.51 51.00 -50.81 19.55 52.38 -51.50 2 0 24.05-999 ?-999 ?-999 ? O1 GOL B 269 mILE^B 105 18.75 50.49 -48.52 18.20 49.80 -48.99 19.08 49.43 -46.31 18.63 48.32 -46.66 18.72 50.71 -47.08 17.33 51.28 -46.63 3 0 20.63-999 ?-999 ?-999 ? O1 GOL B 269 mALA^B 106 19.98 49.59 -45.35 20.31 50.53 -45.28 20.04 48.83 -43.04 20.08 50.01 -42.61 20.45 48.51 -44.48 22.00 48.34 -44.55 2 0 19.38-999 ?-999 ?-999 ? O1 GOL B 269 mPHE^B 107 19.67 47.79 -42.30 19.67 46.92 -42.80 20.23 47.05 -40.06 20.59 45.95 -40.46 19.32 47.89 -40.90 17.92 47.34 -40.69 3 0 16.17-999 ?-999 ?-999 ? O1 GOL B 269 mGLU^B 108 20.57 47.56 -38.88 20.30 48.51 -38.77 20.35 46.87 -36.62 20.02 47.95 -36.13 21.26 46.81 -37.84 22.60 47.45 -37.54 2 0 16.18-999 ?-999 ?-999 ? O1 GOL B 269 mCYH^B 109 19.91 45.69 -36.19 20.22 44.93 -36.76 19.78 44.72 -33.97 20.38 43.70 -34.31 19.07 45.51 -35.02 17.92 44.62 -35.41 2 0 13.07-999 ?-999 ?-999 ? O1 GOL B 269 mSER^B 110 19.68 45.09 -32.69 19.20 45.95 -32.52 19.31 44.22 -30.46 18.49 45.11 -30.27 20.24 44.26 -31.64 21.63 44.73 -31.21 2 0 13.77-999 ?-999 ?-999 ? O1 GOL B 269 mPHE^B 111 19.47 43.17 -29.67 20.16 42.51 -29.99 19.61 42.39 -27.44 20.13 41.28 -27.67 18.69 43.01 -28.45 17.54 42.11 -28.70 3 0 12.72-999 ?-999 ?-999 ? O1 GOL B 269 mTHR^B 112 19.86 43.09 -26.32 19.37 43.96 -26.24 19.91 42.28 -24.12 19.09 43.07 -23.65 20.77 42.64 -25.32 21.82 43.72 -24.99 2 0 15.75-999 ?-999 ?-999 ? O1 GOL B 269 mVAL^B 113 20.07 41.04 -23.68 20.81 40.53 -24.12 20.06 39.69 -21.63 21.18 39.23 -21.94 19.22 40.48 -22.64 18.15 39.55 -23.27 3 0 16.14-999 ?-999 ?-999 ? O1 GOL B 269 mPRO^B 114 19.52 39.50 -20.42 18.70 40.03 -20.20 20.25 37.17 -20.13 19.35 36.80 -20.92 20.18 38.56 -19.51 19.25 38.53 -18.29 3 0 16.41-999 ?-999 ?-999 ? O ACT A 272 mLYS.B 115 21.33 36.45 -19.87 21.98 36.88 -19.25 20.29 34.29 -20.12 19.89 34.23 -18.96 21.51 35.15 -20.46 22.76 34.49 -19.91 2 0 16.76-999 ?-999 ?-999 ? O ACT A 272 mGLY.B 116 19.75 33.64 -21.14 20.24 33.75 -22.00 17.24 33.59 -21.24 16.19 32.97 -21.34 18.53 32.83 -20.98-999.99-999.99-999.99 1 0 18.79-999 ?-999 ?-999 ? O ACT A 272 mGLY.B 117 17.32 34.92 -21.35 18.24 35.30 -21.32 15.54 35.59 -22.89 16.26 35.32 -23.88 16.13 35.72 -21.50-999.99-999.99-999.99 1 0 16.58-999 ?-999 ?-999 ? O1 GOL B 269 mSER.B 118 14.20 35.74 -22.97 13.74 35.96 -22.11 13.95 36.65 -25.27 14.04 37.83 -24.90 13.53 35.58 -24.26 12.03 35.67 -24.05 2 0 13.62-999 ?-999 ?-999 ? O1 GOL B 269 mALA~B 119 14.15 36.25 -26.53 14.11 35.26 -26.68 13.18 37.49 -28.42 13.25 38.24 -29.40 14.41 37.19 -27.58 15.54 36.68 -28.48 2 0 11.59-999 ?-999 ?-999 ? O1 GOL B 269 mLYS~B 120 12.05 36.94 -28.01 12.09 36.51 -27.11 10.33 38.41 -29.13 9.91 38.69 -30.24 10.85 36.98 -28.85 9.73 36.13 -28.25 2 0 9.21-999 ?-999 ?-999 ? O1 GOL B 269 mGLU~B 121 10.33 39.28 -28.13 10.62 38.91 -27.24 10.67 41.32 -29.51 10.08 42.06 -30.31 9.91 40.67 -28.39 10.14 41.55 -27.17 2 0 6.14-999 ?-999 ?-999 ? O1 GOL B 269 mALA~B 122 11.99 41.11 -29.57 12.38 40.53 -28.85 12.44 41.18 -31.99 12.37 41.93 -32.96 12.79 41.71 -30.61 14.30 41.49 -30.35 2 0 7.02-999 ?-999 ?-999 ? O1 GOL B 269 mGLU~B 123 12.23 39.87 -32.10 12.38 39.36 -31.25 10.49 39.81 -33.80 10.31 40.04 -35.01 11.83 39.28 -33.36 11.73 37.76 -33.26 2 0 7.74-999 ?-999 ?-999 ? O1 GOL B 269 mGLU~B 124 9.59 39.98 -32.84 9.89 39.72 -31.93 8.32 41.94 -33.62 7.56 42.33 -34.51 8.25 40.49 -33.14 7.32 40.31 -31.95 2 0 4.72-999 ?-999 ?-999 ? O1 GOL B 269 mVAL~B 125 9.26 42.74 -33.09 9.80 42.35 -32.34 9.93 44.06 -35.08 9.40 44.74 -35.93 9.45 44.08 -33.63 10.44 44.94 -32.81 3 0 -3.61-999 ?-999 ?-999 ? O1 GOL B 269s mILE~B 126 10.95 43.25 -35.34 11.28 42.74 -34.55 10.48 42.71 -37.69 10.45 43.22 -38.80 11.53 43.14 -36.67 12.80 42.22 -36.71 3 0 7.28-999 ?-999 ?-999 ? O1 GOL B 269 mALA~B 127 9.60 41.80 -37.29 9.74 41.48 -36.35 7.63 42.50 -38.61 7.02 42.43 -39.70 8.54 41.35 -38.19 7.73 40.22 -37.55 2 0 7.37-999 ?-999 ?-999 ? C1 GOL B 269 mTHR~B 128 7.50 43.55 -37.78 7.98 43.45 -36.91 7.44 45.80 -38.97 6.80 46.74 -39.45 6.69 44.74 -38.16 6.07 45.46 -36.93 2 0 6.19-999 ?-999 ?-999 ? C1 GOL B 269 mLEU~B 129 8.77 45.67 -39.08 9.14 44.83 -38.69 9.25 46.82 -41.15 9.15 45.84 -41.92 9.62 46.66 -39.69 11.08 46.28 -39.54 3 0 8.89-999 ?-999 ?-999 ? O1 GOL B 269 mGLU^B 130 9.09 48.08 -41.55 9.16 48.75 -40.82 9.71 49.53 -43.41 9.96 50.47 -42.66 8.81 48.40 -42.95 7.36 48.83 -43.13 2 0 12.13-999 ?-999 ?-999 ? C1 GOL B 269 mALA^B 131 10.27 49.41 -44.62 10.10 48.53 -45.07 10.14 51.21 -46.15 9.59 50.60 -47.06 11.06 50.50 -45.20 12.29 49.99 -45.94 2 0 15.49-999 ?-999 ?-999 ? O1 GOL B 269 mARG.B 132 9.92 52.49 -45.94 10.40 52.89 -45.15 9.70 53.49 -48.17 10.90 53.54 -48.28 9.03 53.23 -46.82 8.63 54.55 -46.16 2 0 17.65-999 ?-999 ?-999 ? O1 GOL B 269 mLYS.B 133 8.90 53.64 -49.21 7.92 53.55 -49.00 9.29 55.39 -50.84 8.24 55.96 -50.61 9.44 53.91 -50.53 8.74 53.04 -51.58 2 0 21.23-999 ?-999 ?-999 ? C1 GOL B 269 mGLU.B 134 10.35 56.03 -51.33 11.21 55.51 -51.26 9.25 57.31 -53.06 9.29 56.37 -53.87 10.26 57.38 -51.91 11.62 57.87 -52.42 2 0 20.33-999 ?-999 ?-999 ? O ACT B 270 mGLY.B 135 8.32 58.26 -53.10 8.42 58.95 -52.39 5.99 57.49 -53.75 5.05 57.46 -54.53 7.26 58.25 -54.12-999.99-999.99-999.99 1 0 20.86-999 ?-999 ?-999 ? O ACT B 270 mGLU.B 136 5.96 56.85 -52.59 6.84 56.79 -52.12 4.13 57.32 -51.09 4.86 57.89 -50.27 4.71 56.29 -52.06 4.94 54.94 -51.36 2 0 21.08-999 ?-999 ?-999 ? O ACT B 270 mLYS.B 137 2.83 57.58 -51.20 2.37 57.05 -51.92 1.77 57.84 -49.04 1.18 56.74 -49.05 2.14 58.54 -50.33 0.88 59.09 -51.02 2 0 18.72-999 ?-999 ?-999 ? O ACT B 270 mTYR.B 138 2.13 58.47 -47.93 2.68 59.29 -48.08 0.91 59.06 -45.94 1.39 60.15 -45.66 1.76 57.99 -46.62 3.00 57.65 -45.80 3 0 17.41-999 ?-999 ?-999 ? O ACT B 270 mPRO.B 139 -0.37 58.75 -45.70 -0.66 57.85 -46.02 -0.65 60.22 -43.67 0.05 59.47 -42.96 -1.23 59.72 -45.00 -2.53 58.94 -44.78 3 0 16.49-999 ?-999 ?-999 ? O ACT B 270 mALA.B 140 -0.95 61.46 -43.33 -1.52 61.94 -43.99 -0.98 61.18 -40.92 -2.10 60.64 -40.98 -0.47 62.03 -42.08 -0.93 63.44 -41.92 2 0 13.42-999 ?-999 ?-999 ? O ACT B 270 mGLU^B 141 -0.15 61.05 -39.89 0.74 61.50 -39.98 0.08 60.80 -37.46 1.10 61.47 -37.51 -0.58 60.30 -38.73 -0.35 58.79 -38.91 2 0 14.48-999 ?-999 ?-999 ? OXT ACT B 271 mLEU^B 142 -0.59 60.52 -36.34 -1.50 60.12 -36.49 0.48 59.46 -34.47 -0.13 58.41 -34.58 -0.07 60.76 -35.02 -1.17 61.27 -34.10 3 0 13.36-999 ?-999 ?-999 ? OXT ACT B 271 mILE^B 143 1.67 59.56 -33.90 2.09 60.46 -34.00 2.72 58.87 -31.78 2.86 60.06 -31.48 2.31 58.44 -33.21 3.56 57.91 -33.96 3 0 10.77-999 ?-999 ?-999 ? O2 GOL A 270 mPRO^B 144 2.94 57.90 -30.90 2.67 56.98 -31.17 4.74 59.15 -29.76 5.58 58.96 -30.68 3.54 58.25 -29.61 3.94 56.87 -29.05 3 0 7.42-999 ?-999 ?-999 ? O2 GOL A 270 mVAL.B 145 4.86 60.14 -28.89 4.24 60.12 -28.11 7.28 60.53 -29.11 7.63 59.76 -28.21 5.89 61.16 -29.13 5.79 62.35 -28.13 3 0 6.56-999 ?-999 ?-999 ? C2 GOL A 270 mARG~B 146 8.06 60.85 -30.14 7.62 61.43 -30.83 10.39 61.18 -29.36 10.11 62.35 -29.05 9.43 60.36 -30.24 9.99 60.37 -31.67 2 0 6.05-999 ?-999 ?-999 ? O2 GOL A 270 mLEU~B 147 11.52 60.59 -29.03 11.65 59.68 -29.41 12.93 62.57 -28.86 13.09 63.61 -28.21 12.47 61.28 -28.17 13.66 60.36 -27.88 3 0 5.46-999 ?-999 ?-999 ? C3 GOL A 270 mSER~B 148 13.11 62.53 -30.17 12.96 61.64 -30.60 12.54 64.93 -30.61 12.97 66.09 -30.46 13.49 63.77 -30.89 13.64 63.49 -32.39 2 0 9.23-999 ?-999 ?-999 ? C3 GOL A 270 mGLU~B 149 11.25 64.65 -30.59 11.03 63.69 -30.75 10.18 66.05 -28.83 9.89 67.19 -28.46 10.26 65.72 -30.34 8.90 65.40 -30.93 2 0 9.63-999 ?-999 ?-999 ? C3 GOL A 270 mILE~B 150 10.48 65.08 -27.98 10.61 64.18 -28.39 11.67 66.41 -26.34 11.53 67.38 -25.61 10.60 65.37 -26.55 10.85 64.11 -25.70 3 0 -7.26-999 ?-999 ?-999 ? C3 GOL A 270s mTYR~B 151 12.79 66.25 -27.00 12.84 65.40 -27.53 13.41 68.64 -27.45 13.72 69.64 -26.85 13.85 67.26 -26.92 15.07 66.83 -27.71 3 0 9.74-999 ?-999 ?-999 ? C3 GOL A 270 mGLN~B 152 12.66 68.67 -28.54 12.48 67.77 -28.95 11.21 70.62 -28.10 11.20 71.85 -27.97 12.18 69.93 -29.08 11.52 69.69 -30.43 2 0 9.93-999 ?-999 ?-999 ? CH3 ACT B 270 mILE~B 153 10.36 69.84 -27.45 10.46 68.87 -27.66 10.13 71.03 -25.38 9.89 72.17 -25.00 9.36 70.38 -26.53 8.47 69.28 -26.00 3 0 11.62-999 ?-999 ?-999 ? OXT ACT B 270 mASN~B 154 11.10 70.33 -24.85 11.26 69.44 -25.28 12.70 72.08 -24.10 12.80 73.03 -23.32 11.86 70.88 -23.72 12.74 69.79 -23.15 2 0 12.29-999 ?-999 ?-999 ? C3 GOL A 270 mGLU~B 155 13.32 72.02 -25.26 13.17 71.17 -25.75 13.31 74.40 -25.98 13.71 75.49 -25.65 14.15 73.14 -25.75 14.87 72.76 -27.05 2 0 13.29-999 ?-999 ?-999 ? CH3 ACT B 270 mGLY~B 156 12.14 74.24 -26.57 11.97 73.29 -26.84 10.78 75.95 -25.44 10.81 77.19 -25.26 11.22 75.37 -26.78-999.99-999.99-999.99 1 0 11.62-999 ?-999 ?-999 ? CH3 ACT B 270 mTYR~B 157 10.34 75.10 -24.53 10.30 74.15 -24.85 11.11 76.29 -22.46 10.92 77.41 -21.92 9.97 75.53 -23.17 9.58 74.29 -22.33 3 0 14.77-999 ?-999 ?-999 ? OXT ACT B 270 mGLU~B 158 12.31 75.70 -22.44 12.34 74.80 -22.88 13.76 77.68 -22.40 14.15 78.58 -21.68 13.45 76.33 -21.80 14.69 75.45 -21.92 2 0 17.09-999 ?-999 ?-999 ? CH3 ACT B 270 mTRP~B 159 13.64 77.81 -23.72 13.33 76.99 -24.20 12.99 80.17 -23.89 13.38 81.30 -23.65 13.96 79.09 -24.36 13.89 79.00 -25.89 3 0 15.73-999 ?-999 ?-999 ? CH3 ACT B 270 mVAL~B 160 11.72 79.83 -23.75 11.51 78.90 -24.05 11.02 81.13 -21.74 10.99 82.30 -21.36 10.73 80.79 -23.20 9.28 80.32 -23.39 3 0 16.54-999 ?-999 ?-999 ? OXT ACT B 270 mVAL~B 161 11.36 80.13 -20.95 11.37 79.23 -21.39 12.86 81.36 -19.42 12.80 82.30 -18.65 11.68 80.38 -19.53 12.03 79.06 -18.82 3 0 19.85-999 ?-999 ?-999 ? OXT ACT B 270 mSER~B 162 13.91 81.10 -20.19 13.81 80.26 -20.73 14.77 83.36 -20.69 15.25 84.35 -20.15 15.10 81.95 -20.25 16.14 81.37 -21.21 2 0 20.79-999 ?-999 ?-999 ? CH3 ACT B 270 mTHR~B 163 13.93 83.46 -21.71 13.58 82.58 -22.03 12.74 85.57 -21.31 12.95 86.78 -21.18 13.58 84.75 -22.29 12.87 84.55 -23.62 2 0 20.13-999 ?-999 ?-999 ? CH3 ACT B 270 mVAL~B 164 11.78 84.94 -20.63 11.67 83.99 -20.91 11.89 86.11 -18.44 11.75 87.22 -17.94 10.99 85.61 -19.58 9.92 84.66 -19.03 3 0 22.03-999 ?-999 ?-999 ? OXT ACT B 270 mLYS~B 165 12.83 85.26 -18.03 12.80 84.36 -18.47 14.62 86.88 -17.46 14.76 87.86 -16.74 13.79 85.68 -17.00 14.72 84.52 -16.59 2 0 24.89-999 ?-999 ?-999 ? OXT ACT B 270 mGLN~B 166 15.19 86.78 -18.66 14.98 85.93 -19.14 15.33 89.18 -19.44 15.86 90.26 -19.14 16.04 87.85 -19.19 16.65 87.39 -20.50 2 0 24.99-999 ?-999 ?-999 ? CH3 ACT B 270 mGLU~B 167 14.13 89.11 -20.03 13.79 88.19 -20.18 12.58 90.95 -19.26 12.45 92.18 -19.20 13.41 90.34 -20.40 12.48 90.09 -21.59 2 0 24.97-999 ?-999 ?-999 ? OXT ACT B 270 mLEU~B 168 11.98 90.10 -18.42 12.24 89.15 -18.53 11.48 90.36 -16.00 10.85 90.85 -15.09 11.01 90.56 -17.44 9.67 89.85 -17.62 3 0 26.03-999 ?-999 ?-999 ? O ACT B 271 mLYS~B 169 12.59 89.66 -15.80 13.06 89.41 -16.64 11.97 88.58 -13.70 11.75 88.81 -12.52 13.07 89.31 -14.46 13.56 90.52 -13.67 2 0 28.38-999 ?-999 ?-999 ? O ACT B 271 mLYS.B 170 11.29 87.68 -14.41 11.55 87.63 -15.37 10.57 85.38 -13.92 11.27 84.96 -14.84 10.25 86.86 -13.80 8.90 87.16 -14.45 2 0 26.10-999 ?-999 ?-999 ? O ACT B 271 mASP.B 171 10.06 84.60 -12.96 9.63 85.11 -12.22 8.96 82.57 -13.79 8.12 83.31 -14.30 10.13 83.15 -13.02 10.23 82.59 -11.61 2 0 25.23-999 ?-999 ?-999 ? O ACT B 271 mPHE.B 172 8.92 81.25 -13.90 9.56 80.76 -13.32 7.70 79.22 -14.33 8.60 78.40 -14.28 8.00 80.61 -14.83 8.62 80.54 -16.22 3 0 21.94-999 ?-999 ?-999 ? O ACT B 271 mGLN.B 173 6.44 78.96 -13.96 5.85 79.77 -13.96 5.32 76.73 -14.65 5.12 75.51 -14.43 5.98 77.59 -13.59 4.90 77.73 -12.50 2 0 20.92-999 ?-999 ?-999 ? O1 GOL A 270 mGLY.B 174 4.92 77.31 -15.78 5.17 78.27 -15.88 2.69 76.49 -16.40 2.03 75.51 -16.73 4.17 76.59 -16.77-999.99-999.99-999.99 1 0 17.76-999 ?-999 ?-999 ? O ACT B 271 mVAL~B 175 2.17 77.55 -15.78 2.83 78.28 -15.62 0.04 78.74 -16.13 0.65 79.57 -16.74 0.76 77.62 -15.38 0.61 77.82 -13.85 3 0 18.00-999 ?-999 ?-999 ? O ACT B 271 mGLU~B 176 -1.29 78.76 -16.07 -1.69 78.04 -15.49 -1.64 81.18 -16.49 -1.65 82.02 -17.37 -2.09 79.75 -16.78 -3.58 79.58 -16.45 2 0 16.59-999 ?-999 ?-999 ? O ACT B 271 mGLU~B 177 -1.25 81.46 -15.24 -1.27 80.67 -14.62 0.39 83.25 -15.61 0.67 84.45 -15.71 -0.83 82.80 -14.83 -0.53 82.80 -13.35 2 0 19.55-999 ?-999 ?-999 ? O ACT B 271 mASP~B 178 1.13 82.31 -16.15 0.81 81.38 -15.99 2.05 83.07 -18.36 2.95 83.57 -19.02 2.31 82.65 -16.92 3.28 81.46 -16.92 2 0 18.36-999 ?-999 ?-999 ? O ACT B 271 mLEU~B 179 0.85 82.86 -18.88 0.21 82.41 -18.26 0.79 84.75 -20.42 1.27 85.18 -21.46 0.53 83.25 -20.24 -0.94 82.93 -20.56 3 0 15.32-999 ?-999 ?-999 ? O ACT B 271 mGLU~B 180 0.46 85.55 -19.40 0.09 85.08 -18.60 2.12 87.36 -19.67 2.44 88.38 -20.30 0.65 87.00 -19.50 0.04 87.64 -18.24 2 0 18.11-999 ?-999 ?-999 ? O ACT B 271 mLYS~B 181 3.02 86.55 -19.13 2.62 85.76 -18.66 4.89 86.56 -20.64 5.70 87.31 -21.18 4.45 86.81 -19.22 5.24 85.93 -18.25 2 0 19.44-999 ?-999 ?-999 ? O ACT B 271 mILE~B 182 4.37 85.49 -21.25 3.82 84.89 -20.66 4.14 86.46 -23.50 4.86 86.94 -24.39 4.63 85.27 -22.68 3.99 83.95 -23.24 3 0 16.32-999 ?-999 ?-999 ? O ACT B 271 mGLN~B 183 2.92 86.97 -23.22 2.40 86.50 -22.51 3.34 89.34 -23.74 3.58 90.08 -24.69 2.43 88.13 -23.94 0.99 88.47 -23.52 2 0 16.62-999 ?-999 ?-999 ? O ACT B 271 mGLN~B 184 3.83 89.57 -22.51 3.54 88.91 -21.82 6.00 90.59 -23.07 6.51 91.59 -23.62 4.72 90.69 -22.23 5.03 90.79 -20.74 2 0 20.35-999 ?-999 ?-999 ? O ACT B 271 mVAL~B 185 6.55 89.39 -23.19 6.09 88.66 -22.68 7.46 89.61 -25.48 8.21 90.32 -26.11 7.74 89.21 -24.02 8.23 87.78 -23.97 3 0 19.90-999 ?-999 ?-999 ? O ACT B 271 mILE~B 186 6.38 89.10 -26.00 5.88 88.49 -25.39 5.78 90.95 -27.54 6.28 91.56 -28.47 5.97 89.43 -27.36 4.68 88.68 -27.72 3 0 17.84-999 ?-999 ?-999 ? O ACT B 271 mASP~B 187 5.03 91.57 -26.64 4.70 91.00 -25.90 5.95 93.86 -26.56 5.98 94.99 -27.07 4.71 92.97 -26.73 3.67 93.34 -25.70 2 0 20.37-999 ?-999 ?-999 ? O ACT B 271 mSER~B 188 6.98 93.34 -25.90 6.83 92.43 -25.51 9.05 94.17 -27.06 10.05 94.86 -27.08 8.24 94.10 -25.77 9.12 93.46 -24.69 2 0 23.22-999 ?-999 ?-999 ? O ACT B 271 mGLY.B 189 8.68 93.40 -28.08 7.86 92.84 -27.91 10.58 92.44 -29.43 11.34 92.49 -30.39 9.41 93.38 -29.35-999.99-999.99-999.99 1 0 21.73-999 ?-999 ?-999 ? OXT ACT B 270 mLYS.B 190 10.76 91.62 -28.42 10.05 91.66 -27.72 11.98 89.80 -29.59 13.08 89.49 -30.06 11.91 90.73 -28.37 11.84 89.89 -27.09 2 0 20.29-999 ?-999 ?-999 ? OXT ACT B 270 mILE.B 191 10.83 89.37 -30.12 10.00 89.81 -29.76 10.61 88.90 -32.55 9.54 89.45 -32.83 10.83 88.32 -31.14 9.74 87.25 -30.82 3 0 16.77-999 ?-999 ?-999 ? OXT ACT B 270 mSER.B 192 11.61 88.78 -33.42 12.45 88.39 -33.04 10.35 88.40 -35.47 10.27 87.19 -35.25 11.46 89.21 -34.81 12.77 89.01 -35.59 2 0 16.76-999 ?-999 ?-999 ? CH3 ACT B 270 mPRO.B 193 9.50 89.05 -36.28 9.68 90.03 -36.39 8.90 87.31 -37.98 8.12 86.48 -38.45 8.40 88.32 -36.94 7.58 89.42 -37.63 3 0 15.06-999 ?-999 ?-999 ? OXT ACT B 270 mLYS.B 194 10.17 87.39 -38.34 10.67 88.15 -37.92 11.34 85.19 -38.59 11.62 84.19 -39.27 10.75 86.43 -39.28 11.81 87.13 -40.14 2 0 13.70-999 ?-999 ?-999 ? CH3 ACT B 270 mLYS~B 195 11.55 85.24 -37.27 11.15 86.03 -36.81 11.42 83.03 -36.17 10.98 82.92 -34.99 12.32 84.18 -36.59 13.10 84.73 -35.39 2 0 11.87-999 ?-999 ?-999 ? CH3 ACT B 270 mLYS~B 196 11.10 82.19 -37.15 11.60 82.37 -37.99 10.32 80.23 -35.78 9.35 79.87 -35.08 10.11 81.12 -36.99 10.14 80.24 -38.24 2 0 8.33-999 ?-999 ?-999 ? CH3 ACT B 270 mASP~B 197 11.57 79.85 -35.51 12.26 80.23 -36.11 11.44 79.47 -33.04 11.04 78.69 -32.20 11.87 78.93 -34.40 13.34 78.39 -34.41 2 0 7.61-999 ?-999 ?-999 ? CH3 ACT B 270 mGLU~B 198 11.52 80.79 -32.88 11.86 81.28 -33.68 9.63 81.43 -31.48 9.12 81.18 -30.40 11.13 81.42 -31.62 11.74 82.83 -31.53 2 0 10.79-999 ?-999 ?-999 ? CH3 ACT B 270 mTRP~B 199 8.91 81.66 -32.57 9.45 81.89 -33.38 6.98 80.11 -32.29 5.95 79.89 -31.63 7.45 81.55 -32.53 6.86 82.11 -33.82 3 0 9.52-999 ?-999 ?-999 ? OXT ACT B 270 mLEU~B 200 7.74 79.14 -32.79 8.50 79.46 -33.36 7.66 77.46 -31.03 6.86 76.79 -30.42 7.45 77.73 -32.50 8.30 76.76 -33.33 3 0 -6.58-999 ?-999 ?-999 ? OXT ACT B 270s mALA~B 201 8.72 78.01 -30.44 9.29 78.50 -31.09 7.83 78.43 -28.17 7.37 77.81 -27.18 9.01 77.89 -28.99 10.33 78.57 -28.63 2 0 9.84-999 ?-999 ?-999 ? OXT ACT B 270 mILE~B 202 7.33 79.60 -28.60 7.78 79.98 -29.41 5.02 79.27 -27.97 4.35 79.01 -26.97 6.20 80.23 -27.92 5.86 81.58 -28.59 3 0 11.61-999 ?-999 ?-999 ? OXT ACT B 270 mGLY~B 203 4.72 78.72 -29.15 5.34 78.98 -29.89 3.74 76.54 -28.49 2.82 76.02 -27.89 3.58 77.83 -29.30-999.99-999.99-999.99 1 0 8.31-999 ?-999 ?-999 ? O ACT B 271 mILE~B 204 4.94 76.00 -28.51 5.60 76.49 -29.08 4.97 75.05 -26.25 4.49 74.19 -25.54 5.26 74.80 -27.74 6.73 74.37 -27.98 3 0 9.73-999 ?-999 ?-999 ? OXT ACT B 270 mTHR~B 205 5.36 76.23 -25.76 5.72 76.86 -26.45 3.77 76.75 -23.96 3.32 76.29 -22.91 5.24 76.55 -24.34 6.12 77.75 -23.97 2 0 12.22-999 ?-999 ?-999 ? O ACT B 271 mVAL~B 206 3.00 77.40 -24.85 3.49 77.80 -25.62 0.95 76.05 -24.49 0.16 75.78 -23.56 1.55 77.48 -24.66 0.86 78.32 -25.74 3 0 9.78-999 ?-999 ?-999 ? O ACT B 271 mCYH~B 207 1.34 75.15 -25.37 1.94 75.51 -26.09 1.41 73.07 -24.04 0.61 72.33 -23.45 0.94 73.76 -25.30 1.34 73.02 -26.59 2 0 8.82-999 ?-999 ?-999 ? O ACT B 271 mALA~B 208 2.61 73.36 -23.55 3.16 73.97 -24.11 2.10 73.24 -21.15 1.67 72.48 -20.27 3.04 72.78 -22.27 4.47 73.20 -21.96 2 0 12.62-999 ?-999 ?-999 ? O ACT B 271 mILE~B 209 1.77 74.53 -21.18 2.20 75.07 -21.90 -0.56 74.36 -20.29 -1.10 73.97 -19.27 0.81 75.05 -20.19 0.69 76.60 -20.26 3 0 13.26-999 ?-999 ?-999 ? O ACT B 271 mLEU~B 210 -1.07 74.18 -21.50 -0.55 74.60 -22.24 -2.21 72.00 -21.03 -3.16 71.55 -20.35 -2.30 73.40 -21.67 -2.70 73.27 -23.12 3 0 11.28-999 ?-999 ?-999 ? O ACT B 271 mTHR~B 211 -1.10 71.29 -21.24 -0.42 71.75 -21.81 -0.94 70.02 -19.13 -1.35 69.08 -18.48 -0.95 69.94 -20.64 0.29 69.11 -21.13 2 0 13.47-999 ?-999 ?-999 ? O ACT B 271 mASN~B 212 -0.49 71.14 -18.58 -0.22 71.84 -19.25 -1.74 71.65 -16.54 -1.99 71.35 -15.37 -0.39 71.33 -17.17 0.63 72.41 -16.81 2 0 15.89-999 ?-999 ?-999 ? O1 GOL A 270 mGLU~B 213 -2.62 72.29 -17.32 -2.38 72.33 -18.29 -5.07 72.17 -17.18 -6.08 72.33 -16.50 -3.82 72.88 -16.78 -3.91 74.34 -17.26 2 0 16.11-999 ?-999 ?-999 ? O ACT B 271 mVAL~B 214 -5.03 71.38 -18.26 -4.12 71.29 -18.66 -6.04 69.22 -18.89 -5.16 68.74 -19.58 -6.24 70.73 -18.80 -6.66 71.33 -20.18 3 0 14.88-999 ?-999 ?-999 ? O ACT B 271 mGLU.B 215 -6.86 68.45 -18.21 -7.56 68.93 -17.67 -7.11 66.49 -19.68 -7.99 67.04 -20.32 -6.71 66.99 -18.29 -7.49 66.25 -17.19 2 0 16.94-999 ?-999 ?-999 ? O ACT B 271 mGLY.B 216 -6.40 65.48 -20.17 -5.66 65.17 -19.58 -5.89 65.39 -22.65 -6.10 64.93 -23.76 -6.69 64.88 -21.47-999.99-999.99-999.99 1 0 15.31-999 ?-999 ?-999 ? OXT ACT B 271 mMETB 217 -4.97 66.32 -22.39 -5.00 66.63 -21.44 -2.82 65.94 -23.39 -2.23 65.71 -22.33 -4.02 66.86 -23.39 -3.51 68.22 -22.97 2 0 12.37-999 ?-999 ?-999 ? OXT ACT B 271 mGLU^B 218 -2.42 65.43 -24.55 -2.93 65.74 -25.35 -0.40 64.83 -25.75 -0.86 65.01 -26.89 -1.33 64.50 -24.60 -1.82 63.06 -24.78 2 0 10.88-999 ?-999 ?-999 ? O1 GOL A 270 mTRP^B 219 0.90 64.92 -25.47 1.14 64.87 -24.50 1.94 63.85 -27.47 1.95 62.70 -27.03 1.86 65.09 -26.57 3.29 65.38 -26.08 3 0 9.48-999 ?-999 ?-999 ? O1 GOL A 270 mLYS^B 220 2.05 64.11 -28.77 1.97 65.09 -28.97 3.28 63.65 -30.83 3.55 64.89 -30.92 2.26 63.11 -29.80 0.98 62.83 -30.55 2 0 10.03-999 ?-999 ?-999 ? O1 GOL A 270 mTHR^B 221 3.82 62.77 -31.66 3.71 61.81 -31.40 3.55 63.12 -34.06 2.91 62.10 -34.24 4.51 63.23 -32.87 5.81 62.42 -33.15 2 0 10.98-999 ?-999 ?-999 ? C2 GOL A 270 mLEU^B 222 3.47 64.20 -34.82 3.92 65.00 -34.41 3.79 64.04 -37.22 4.77 64.76 -37.28 2.80 64.22 -36.12 2.07 65.54 -36.31 3 0 9.90-999 ?-999 ?-999 ? OXT ACT B 270 mILE^B 223 3.51 63.06 -38.06 2.73 62.51 -37.77 3.32 63.15 -40.38 2.33 62.44 -40.56 4.29 62.81 -39.29 4.77 61.35 -39.39 3 0 10.50-999 ?-999 ?-999 ? O ACT B 270 mASP^B 224 3.54 64.29 -41.04 4.34 64.79 -40.71 3.61 65.12 -43.31 4.16 66.23 -43.37 2.70 64.75 -42.16 1.86 65.94 -41.69 2 0 9.61-999 ?-999 ?-999 ? O ACT B 270 mGLY.B 225 3.77 64.18 -44.22 3.22 63.36 -44.04 6.09 64.43 -44.81 6.49 63.62 -43.96 4.69 64.34 -45.37-999.99-999.99-999.99 1 0 10.74-999 ?-999 ?-999 ? O ACT B 270 mASN.B 226 6.81 65.47 -45.18 6.36 66.07 -45.85 8.15 66.49 -43.33 9.23 66.71 -42.74 8.14 65.71 -44.65 8.98 66.42 -45.71 2 0 9.11-999 ?-999 ?-999 ? O ACT B 270 mARG^B 227 6.97 66.86 -42.83 6.17 66.61 -43.38 6.75 66.59 -40.42 5.87 65.72 -40.42 6.87 67.58 -41.59 5.69 68.55 -41.65 2 0 -5.86-999 ?-999 ?-999 ? O ACT B 270s mGLU^B 228 7.61 66.75 -39.41 8.19 67.55 -39.52 7.82 66.72 -37.00 8.87 67.32 -36.74 7.71 65.85 -38.25 8.94 64.92 -38.34 2 0 7.19-999 ?-999 ?-999 ? CH3 ACT B 270 mVAL^B 229 6.72 66.85 -36.27 5.99 66.19 -36.49 5.87 67.37 -34.01 5.05 66.46 -34.10 6.60 67.87 -35.24 5.87 69.12 -35.79 3 0 -5.92-999 ?-999 ?-999 ? OXT ACT B 270s mPRO^B 230 6.12 67.99 -32.83 6.89 68.63 -32.84 3.98 68.44 -31.73 3.93 69.61 -32.12 5.30 67.71 -31.65 6.16 68.28 -30.53 3 0 8.09-999 ?-999 ?-999 ? OXT ACT B 270 mVAL^B 231 2.91 67.72 -31.41 3.12 66.76 -31.25 0.85 67.70 -30.09 1.27 66.70 -29.52 1.57 68.29 -31.29 0.71 68.05 -32.52 3 0 7.99-999 ?-999 ?-999 ? OXT ACT B 271 mLEU^B 232 -0.22 68.36 -29.68 -0.34 69.26 -30.10 -2.31 67.12 -29.34 -2.87 67.60 -30.30 -1.12 67.78 -28.69 -1.67 68.85 -27.75 3 0 8.18-999 ?-999 ?-999 ? OXT ACT B 271 mGLU^B 233 -2.73 66.00 -28.76 -2.08 65.62 -28.10 -4.97 65.63 -27.89 -4.58 65.42 -26.74 -4.03 65.42 -29.08 -3.86 63.93 -29.38 2 0 9.38-999 ?-999 ?-999 ? OXT ACT B 271 mTYR^B 234 -6.22 66.01 -28.17 -6.43 66.04 -29.15 -8.57 66.20 -27.70 -8.91 66.83 -28.69 -7.18 66.36 -27.14 -6.99 67.82 -26.72 3 0 10.31-999 ?-999 ?-999 ? OXT ACT B 271 mGLN.B 235 -9.38 65.38 -27.04 -8.94 64.90 -26.28 -10.97 64.98 -28.93 -11.78 65.66 -29.60 -10.79 65.22 -27.43 -11.56 66.41 -26.95 2 0 12.52-999 ?-999 ?-999 ? OXT ACT B 271 mGLY.B 236 -10.16 64.07 -29.42 -9.53 63.69 -28.74 -9.70 64.65 -31.86 -9.91 64.42 -33.07 -10.16 63.66 -30.82-999.99-999.99-999.99 1 0 12.03-999 ?-999 ?-999 ? OXT ACT B 271 mARG^B 237 -9.02 65.72 -31.43 -8.95 65.82 -30.44 -6.99 66.99 -31.99 -6.51 66.64 -30.88 -8.44 66.66 -32.36 -9.24 67.93 -32.45 2 0 8.32-999 ?-999 ?-999 ? OXT ACT B 271 mTHR^B 238 -6.33 67.66 -32.93 -6.88 67.86 -33.74 -4.84 69.54 -32.47 -5.55 70.34 -33.07 -4.94 68.07 -32.79 -4.21 67.72 -34.08 2 0 -5.62-999 ?-999 ?-999 ? OXT ACT B 271s mILE^B 239 -3.96 69.89 -31.53 -3.56 69.12 -31.05 -2.14 71.41 -31.61 -1.30 70.74 -30.99 -3.63 71.29 -31.25 -3.83 71.64 -29.75 3 0 -3.41-999 ?-999 ?-999 ? OXT ACT B 271s mASP~B 240 -1.82 72.21 -32.62 -2.59 72.76 -32.96 0.18 73.51 -32.66 -0.29 74.61 -32.93 -0.48 72.26 -33.17 -0.62 72.30 -34.70 2 0 -3.72-999 ?-999 ?-999 ? OXT ACT B 271s mPRO~B 241 1.31 73.38 -31.96 1.54 72.44 -31.73 2.37 75.58 -32.67 2.41 76.77 -32.37 2.12 74.55 -31.58 3.45 73.92 -31.17 3 0 5.88-999 ?-999 ?-999 ? O ACT B 271 mMETB 242 2.55 75.16 -33.94 2.53 74.17 -34.06 1.60 77.04 -35.19 1.79 78.19 -35.55 2.78 76.10 -35.03 3.01 75.38 -36.36 2 0 4.97-999 ?-999 ?-999 ? OXT ACT B 270 mLYS~B 243 0.39 76.52 -34.96 0.40 75.58 -34.64 -1.18 78.20 -34.00 -2.05 79.07 -34.13 -0.83 77.28 -35.17 -1.98 76.33 -35.50 2 0 -4.18-999 ?-999 ?-999 ? O ACT B 271s mILE~B 244 -0.51 78.05 -32.86 0.11 77.27 -32.84 -0.25 80.39 -32.09 -0.94 81.37 -31.79 -0.70 78.98 -31.75 0.05 78.50 -30.50 3 0 4.74-999 ?-999 ?-999 ? O ACT B 271 mALA~B 245 0.92 80.51 -32.69 1.35 79.64 -32.95 2.06 81.99 -34.35 1.73 82.96 -35.03 1.50 81.82 -32.94 2.57 82.14 -31.89 2 0 8.24-999 ?-999 ?-999 ? O ACT B 271 mTRP~B 246 2.92 81.08 -34.80 3.05 80.29 -34.21 2.64 81.47 -37.27 2.89 82.34 -38.11 3.61 81.28 -36.10 4.56 80.13 -36.39 3 0 8.40-999 ?-999 ?-999 ? OXT ACT B 270 mSER~B 247 1.58 80.68 -37.34 1.46 80.06 -36.57 0.06 82.16 -38.58 -0.19 82.70 -39.68 0.68 80.75 -38.48 -0.42 79.68 -38.36 2 0 8.99-999 ?-999 ?-999 ? O ACT B 271 mLYS~B 248 -0.17 82.76 -37.42 0.07 82.22 -36.61 0.32 85.14 -37.75 0.07 85.96 -38.63 -0.71 84.11 -37.36 -1.22 84.40 -35.96 2 0 10.33-999 ?-999 ?-999 ? O ACT B 271 mVAL~B 249 1.48 85.09 -37.09 1.51 84.38 -36.38 2.93 85.90 -38.89 3.07 86.93 -39.56 2.58 86.00 -37.41 3.80 85.74 -36.53 3 0 13.12-999 ?-999 ?-999 ? OXT ACT B 270 mLYS~B 250 3.00 84.67 -39.42 2.84 83.94 -38.76 2.32 85.22 -41.75 2.69 85.71 -42.82 3.30 84.46 -40.85 3.27 82.97 -41.21 2 0 11.97-999 ?-999 ?-999 ? OXT ACT B 270 mALA~B 251 1.07 85.30 -41.30 0.93 84.88 -40.40 -0.09 87.43 -41.74 -1.04 88.08 -42.19 0.01 85.92 -42.05 -1.30 85.21 -41.73 2 0 14.39-999 ?-999 ?-999 ? CH3 ACT B 271 mGLY.B 252 0.88 87.98 -41.02 1.62 87.35 -40.80 -0.17 89.74 -39.50 -0.50 90.91 -39.29 0.86 89.39 -40.58-999.99-999.99-999.99 1 0 16.71-999 ?-999 ?-999 ? O ACT B 271 mGLN.B 253 -0.68 88.74 -38.79 -0.34 87.84 -39.05 -0.95 89.03 -36.36 0.17 88.54 -36.21 -1.65 88.99 -37.73 -2.75 87.93 -37.77 2 0 14.67-999 ?-999 ?-999 ? O ACT B 271 mPRO.B 254 -1.60 89.65 -35.35 -2.49 90.06 -35.58 -1.11 88.33 -33.33 -1.98 87.54 -33.67 -0.98 89.67 -34.03 -1.78 90.72 -33.26 3 0 14.62-999 ?-999 ?-999 ? O ACT B 271 mCYH.B 255 -0.24 88.11 -32.35 0.47 88.81 -32.27 -0.93 87.37 -30.17 -0.30 88.12 -29.42 -0.32 86.94 -31.48 1.06 86.35 -31.24 2 0 12.10-999 ?-999 ?-999 ? O ACT B 271 mASN~B 256 -2.18 86.95 -29.93 -2.61 86.50 -30.71 -2.80 85.78 -27.96 -3.55 84.85 -28.28 -2.85 87.14 -28.66 -4.29 87.59 -28.85 2 0 12.48-999 ?-999 ?-999 ? O ACT B 271 mILE~B 257 -1.90 85.67 -27.01 -1.43 86.52 -26.80 -2.88 83.89 -25.55 -3.19 82.68 -25.64 -1.66 84.40 -26.33 -0.40 84.52 -25.42 3 0 11.23-999 ?-999 ?-999 ? O ACT B 271 mALA~B 258 -3.53 84.76 -24.77 -3.15 85.69 -24.75 -5.78 83.80 -24.92 -6.47 82.82 -24.58 -4.70 84.35 -24.01 -5.26 85.50 -23.20 2 0 12.56-999 ?-999 ?-999 ? O ACT B 271 mGLU~B 259 -5.97 84.44 -26.08 -5.35 85.20 -26.24 -6.68 82.68 -27.60 -7.54 81.82 -27.67 -7.02 84.00 -27.00 -7.29 85.00 -28.10 2 0 10.91-999 ?-999 ?-999 ? O ACT B 271 mALA~B 260 -5.41 82.53 -28.01 -4.84 83.33 -27.87 -5.11 80.10 -27.63 -5.54 78.97 -27.99 -4.94 81.27 -28.62 -3.44 81.41 -29.10 2 0 7.32-999 ?-999 ?-999 ? O ACT B 271 mTYR~B 261 -4.77 80.35 -26.37 -4.42 81.28 -26.21 -6.34 78.90 -25.10 -6.67 77.71 -25.14 -4.89 79.35 -25.31 -4.28 79.93 -24.03 3 0 8.50-999 ?-999 ?-999 ? O ACT B 271 mGLN~B 262 -7.24 79.86 -24.94 -6.88 80.79 -25.00 -9.22 78.82 -25.94 -10.03 77.89 -25.80 -8.65 79.52 -24.71 -9.47 80.76 -24.38 2 0 10.33-999 ?-999 ?-999 ? O ACT B 271 mSER~B 263 -8.87 79.31 -27.13 -8.24 80.09 -27.11 -8.96 77.26 -28.51 -9.72 76.42 -29.03 -9.39 78.71 -28.36 -8.95 79.51 -29.60 2 0 7.74-999 ?-999 ?-999 ? CH3 ACT B 271 mALA~B 264 -7.75 76.93 -28.07 -7.21 77.71 -27.74 -8.22 74.66 -27.24 -8.55 73.54 -27.61 -7.28 75.53 -28.09 -5.84 75.43 -27.58 2 0 5.91-999 ?-999 ?-999 ? O ACT B 271 mILE~B 265 -8.65 75.19 -26.11 -8.33 76.13 -25.95 -10.98 74.34 -25.69 -11.56 73.26 -25.69 -9.53 74.47 -25.20 -9.56 75.11 -23.74 3 0 9.61-999 ?-999 ?-999 ? O ACT B 271 mASP~B 266 -11.59 75.46 -26.06 -11.03 76.29 -26.06 -13.27 75.36 -27.93 -14.43 75.25 -28.35 -13.00 75.43 -26.42 -13.81 76.52 -25.69 2 0 10.72-999 ?-999 ?-999 ? CH3 ACT B 271 mHIS~B 267 -12.22 75.40 -28.75 -11.34 75.55 -28.30 -13.26 76.35 -30.81 -13.89 76.14 -31.86 -12.38 75.24 -30.20 -12.98 73.87 -30.50 3 0 7.90-999 ?-999 ?-999 ? CH3 ACT B 271 mHIS.B 268 -13.33 77.50 -30.14 -12.87 77.47 -29.25 -13.05 79.88 -30.65 -11.84 79.75 -30.46 -14.01 78.70 -30.65 -15.25 79.04 -29.80 3 0 9.79-999 ?-999 ?-999 ? CH3 ACT B 271