HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAR-09 3GRD COMPND UNCHARACTERIZED NTF2-SUPERFAMILY PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 10987; SOURCE 3 ORGANISM_TAXID: 222523; SOURCE 4 ATCC: 10987; SOURCE 5 GENE: BCE_0917, NP_977240.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 53 8 HET MSE A 73 16 HET MSE A 88 24 HET MSE A 131 8 HET MSE B 53 8 HET MSE B 73 16 HET MSE B 88 24 HET MSE B 131 8 HET ACT A 134 8 HET NA A 135 1 HET ACT B 134 8 HET NA B 135 1 SITE 1 AC1 8 GLU A 36 VAL A 56 PHE A 57 TYR A 89 SITE 1 AC2 6 GLY A 61 TRP A 64 HOH A 158 HOH A 253 SITE 1 AC3 7 GLU B 36 VAL B 56 PHE B 57 TYR B 89 SITE 1 AC4 6 GLU A 14 HOH A 182 HOH A 222 VAL B 77 mMETA 1 -16.40 24.81 -12.78 -16.41 25.39 -13.60 -14.97 23.92 -10.95 -13.99 23.65 -11.64 -16.37 23.95 -11.56 -16.73 22.53 -11.95 2 0 25.79-999 ?-999 ?-999 ? NA NA B 135 mPRO.A 2 -14.87 24.18 -9.65 -15.71 24.45 -9.20 -12.92 22.64 -9.07 -13.62 21.64 -9.20 -13.55 24.05 -9.01 -13.83 24.48 -7.57 3 0 23.51-999 ?-999 ?-999 ? CH3BACT A 134 mLYS.A 3 -11.60 22.59 -8.90 -11.15 23.48 -8.90 -11.27 20.73 -7.40 -11.79 21.40 -6.53 -10.88 21.34 -8.74 -9.39 21.63 -8.80 2 0 22.13-999 ?-999 ?-999 ? CH3BACT A 134 mALA~A 4 -11.07 19.43 -7.28 -10.69 18.99 -8.09 -10.59 19.25 -4.88 -9.44 19.64 -4.99 -11.37 18.72 -6.05 -11.13 17.21 -6.22 2 0 18.46-999 ?-999 ?-999 ? NA NA B 135 mASN~A 5 -11.21 19.23 -3.73 -12.15 18.89 -3.81 -9.23 19.02 -2.21 -8.26 19.69 -1.88 -10.58 19.68 -2.47 -11.48 19.39 -1.29 2 0 17.05-999 ?-999 ?-999 ? NA NA B 135 mLEU~A 6 -9.15 17.72 -2.36 -10.02 17.28 -2.62 -6.82 17.52 -3.09 -5.69 17.73 -2.67 -7.89 17.02 -2.14 -8.06 15.49 -2.28 3 0 15.79-999 ?-999 ?-999 ? NA NA B 135 mGLU~A 7 -7.17 17.66 -4.36 -8.11 17.40 -4.59 -5.68 19.54 -4.94 -4.49 19.84 -5.01 -6.22 18.16 -5.33 -6.84 18.11 -6.75 2 0 18.17-999 ?-999 ?-999 ? OXTAACT A 134 mILE~A 8 -6.58 20.43 -4.57 -7.52 20.10 -4.58 -5.25 21.72 -2.98 -4.17 22.34 -3.00 -6.21 21.78 -4.17 -7.45 22.63 -3.82 3 0 15.83-999 ?-999 ?-999 ? CH3BACT A 134 mILE~A 9 -5.62 20.97 -1.93 -6.48 20.47 -2.02 -3.42 20.26 -1.04 -2.37 20.76 -0.62 -4.76 20.94 -0.75 -5.50 20.29 0.43 3 0 12.86-999 ?-999 ?-999 ? CH3BACT A 134 mARG~A 10 -3.43 19.16 -1.78 -4.33 18.84 -2.06 -1.19 19.45 -2.87 0.03 19.35 -2.74 -2.15 18.52 -2.13 -2.38 17.27 -2.98 2 0 13.69-999 ?-999 ?-999 ? OXTAACT A 134 mSER~A 11 -1.76 20.34 -3.67 -2.76 20.31 -3.66 -0.27 22.32 -3.62 0.61 23.02 -4.11 -0.98 21.28 -4.47 -1.84 21.95 -5.53 2 0 14.23-999 ?-999 ?-999 ? CH3BACT A 134 mTHR.A 12 -0.63 22.41 -2.34 -1.39 21.82 -2.08 1.23 22.68 -0.69 1.95 23.40 -0.01 0.06 23.32 -1.42 -0.92 23.96 -0.41 2 0 10.49-999 ?-999 ?-999 ? CH3BACT A 134 mTYR.A 13 1.43 21.36 -0.88 0.78 20.90 -1.48 3.46 19.93 -1.23 4.62 19.74 -0.90 2.52 20.67 -0.26 2.01 19.62 0.70 3 0 10.08-999 ?-999 ?-999 ? OXTAACT A 134 mGLU.A 14 2.92 19.39 -2.31 2.01 19.73 -2.55 4.63 18.90 -4.08 5.35 18.10 -4.68 3.62 18.39 -3.07 2.62 17.45 -3.74 2 0 -13.65-999 ?-999 ?-999 ? OXTAACT A 134s mGLY.A 15 4.68 20.22 -4.27 3.99 20.76 -3.78 6.86 21.40 -4.37 7.00 21.16 -3.17 5.71 20.80 -5.14-999.99-999.99-999.99 1 0 14.86-999 ?-999 ?-999 ? OXTAACT A 134 mSER~A 16 7.72 22.11 -5.09 7.62 22.01 -6.08 8.03 24.05 -3.62 6.84 24.33 -3.74 8.71 22.98 -4.44 9.58 23.62 -5.50 2 0 12.77-999 ?-999 ?-999 ? NA NA A 135 mALA~A 17 8.84 24.71 -2.81 9.79 24.40 -2.82 7.67 26.84 -2.87 6.61 27.39 -2.52 8.32 25.79 -1.98 9.44 26.44 -1.12 2 0 9.90-999 ?-999 ?-999 ? NA NA A 135 mSER~A 18 8.31 27.16 -3.98 9.14 26.64 -4.17 6.41 27.89 -5.40 5.51 28.71 -5.33 7.78 28.22 -4.84 8.77 28.54 -5.96 2 0 11.74-999 ?-999 ?-999 ? NA NA A 135 mSER~A 19 6.23 26.69 -5.95 7.02 26.08 -5.93 3.88 26.11 -5.43 2.73 26.46 -5.62 4.93 26.34 -6.52 4.99 25.15 -7.47 2 0 14.92-999 ?-999 ?-999 ? CH3BACT A 134 mASN~A 20 4.31 25.57 -4.30 5.28 25.32 -4.31 2.82 26.75 -2.79 1.64 26.90 -2.53 3.39 25.38 -3.16 4.10 24.78 -1.99 2 0 11.48-999 ?-999 ?-999 ? CH3BACT A 134 mALA~A 21 3.71 27.77 -2.72 4.66 27.54 -2.93 2.30 29.68 -3.35 1.28 30.32 -2.98 3.25 29.10 -2.33 4.42 30.03 -2.04 2 0 10.73-999 ?-999 ?-999 ? CH3BACT A 134 mLYS~A 22 2.59 29.51 -4.63 3.44 29.01 -4.81 0.34 29.34 -5.58 -0.71 29.98 -5.75 1.69 30.04 -5.66 2.29 29.89 -7.07 2 0 14.14-999 ?-999 ?-999 ? CH3BACT A 134 mHIS~A 23 0.35 28.02 -5.37 1.26 27.61 -5.27 -1.70 27.66 -4.08 -2.94 27.82 -4.16 -0.89 27.29 -5.30 -0.64 25.78 -5.33 3 0 13.81-999 ?-999 ?-999 ? CH3BACT A 134 mLEU~A 24 -1.05 27.89 -2.95 -0.06 27.76 -3.00 -2.39 29.68 -1.97 -3.55 29.91 -1.64 -1.76 28.29 -1.75 -0.79 28.31 -0.57 3 0 10.75-999 ?-999 ?-999 ? CH3BACT A 134 mALA~A 25 -1.60 30.61 -2.46 -0.68 30.30 -2.67 -3.33 31.98 -3.59 -4.29 32.72 -3.33 -2.11 31.99 -2.66 -0.99 32.89 -3.19 2 0 12.64-999 ?-999 ?-999 ? CH3AACT A 134 mGLU~A 26 -3.31 31.16 -4.63 -2.49 30.59 -4.72 -5.69 30.52 -4.91 -6.78 30.86 -5.30 -4.42 31.12 -5.55 -4.07 30.31 -6.81 2 0 15.77-999 ?-999 ?-999 ? CH3AACT A 134 mALA~A 27 -5.51 29.64 -3.92 -4.55 29.51 -3.65 -7.20 29.57 -2.05 -8.30 29.20 -1.63 -6.62 28.93 -3.30 -6.20 27.48 -2.98 2 0 14.60-999 ?-999 ?-999 ? CH3AACT A 134 mLEU^A 28 -6.47 30.49 -1.42 -5.60 30.72 -1.85 -8.15 32.01 -0.47 -8.08 32.89 -1.33 -6.98 31.09 -0.19 -5.89 31.92 0.48 3 0 13.00-999 ?-999 ?-999 ? CH3AACT A 134 mSER^A 29 -9.20 31.84 0.31 -9.15 31.04 0.91 -9.90 34.14 0.80 -9.05 34.27 1.65 -10.32 32.77 0.28 -11.44 32.23 1.16 2 0 15.78-999 ?-999 ?-999 ? CH3AACT A 134 mGLU^A 30 -10.58 35.17 0.31 -11.21 34.97 -0.43 -10.66 36.51 2.38 -10.02 37.25 3.10 -10.39 36.48 0.87 -11.29 37.51 0.16 2 0 17.22-999 ?-999 ?-999 ? CH3AACT A 134 mLYS^A 31 -11.60 35.71 2.85 -11.96 35.11 2.14 -11.39 34.60 5.09 -11.79 34.35 6.23 -12.07 35.67 4.24 -13.60 35.50 4.32 2 0 16.99-999 ?-999 ?-999 ? CH3AACT A 134 mVAL^A 32 -10.33 33.99 4.57 -10.04 34.33 3.68 -9.25 33.28 6.70 -8.74 34.37 6.94 -9.67 32.88 5.30 -8.43 32.38 4.51 3 0 13.40-999 ?-999 ?-999 ? CH3AACT A 134 mGLU^A 33 -9.51 32.34 7.63 -10.03 31.57 7.27 -8.04 31.31 9.22 -8.32 30.17 8.94 -9.07 32.42 9.02 -10.25 32.20 9.97 2 0 12.35-999 ?-999 ?-999 ? CH3AACT A 134 mTRP^A 34 -6.84 31.68 9.67 -6.76 32.64 9.94 -5.18 30.72 11.16 -4.72 31.75 11.65 -5.73 30.73 9.77 -4.67 31.22 8.78 3 0 8.61-999 ?-999 ?-999 ? O BACT A 134 mTHR^A 35 -5.21 29.56 11.83 -5.57 28.80 11.30 -3.52 28.58 13.32 -3.50 27.42 12.97 -4.76 29.43 13.20 -5.86 28.84 14.08 2 0 7.75-999 ?-999 ?-999 ? O BACT A 134 mGLU^A 36 -2.45 29.23 13.81 -2.57 30.22 13.87 -1.36 28.18 15.69 -1.92 28.96 16.48 -1.23 28.55 14.22 -0.02 29.47 14.05 2 0 -5.58-999 ?-999 ?-999 ? O BACT A 134s mALA.A 37 -0.84 27.01 16.07 -0.39 26.51 15.33 -0.35 27.51 18.44 0.71 28.11 18.18 -0.94 26.52 17.45 -0.24 25.17 17.57 2 0 7.76-999 ?-999 ?-999 ? O BACT A 134 mGLU.A 38 -1.01 27.68 19.59 -1.81 27.09 19.71 0.90 28.51 20.97 1.61 29.51 21.14 -0.56 28.65 20.56 -1.46 28.59 21.80 2 0 11.02-999 ?-999 ?-999 ? O BACT A 134 mGLY.A 39 1.34 27.27 21.13 0.66 26.57 20.92 3.73 27.08 20.46 4.91 27.03 20.74 2.72 27.03 21.58-999.99-999.99-999.99 1 0 11.23-999 ?-999 ?-999 ? O AACT A 134 mPHE.A 40 3.29 27.15 19.20 2.30 27.08 19.09 4.68 28.76 18.13 3.93 29.64 18.56 4.20 27.30 18.10 3.45 26.93 16.80 3 0 7.86-999 ?-999 ?-999 ? O AACT A 134 mPRO.A 41 5.88 29.08 17.63 6.38 28.33 17.19 5.49 31.49 17.07 5.50 32.63 17.49 6.38 30.46 17.75 7.78 30.40 17.10 3 0 9.01-999 ?-999 ?-999 ? O AACT A 134 mTYR.A 42 4.76 31.12 16.02 4.85 30.15 15.78 2.44 31.80 15.62 1.56 32.24 14.89 3.91 32.03 15.27 4.19 31.90 13.77 3 0 7.44-999 ?-999 ?-999 ? O AACT A 134 mGLY.A 43 2.19 31.25 16.81 3.01 31.01 17.33 -0.07 32.24 17.21 0.35 33.35 17.49 0.83 31.04 17.31-999.99-999.99-999.99 1 0 8.58-999 ?-999 ?-999 ? O AACT A 134 mGLY^A 44 -1.33 32.01 16.86 -1.53 31.05 16.68 -3.28 32.74 15.64 -3.10 31.78 14.93 -2.31 33.06 16.76-999.99-999.99-999.99 1 0 10.49-999 ?-999 ?-999 ? O BACT A 134 mTHR^A 45 -4.28 33.59 15.52 -4.33 34.28 16.24 -5.08 34.72 13.54 -5.10 35.87 14.05 -5.23 33.50 14.41 -6.67 33.35 14.90 2 0 10.98-999 ?-999 ?-999 ? O BACT A 134 mTYR^A 46 -4.98 34.48 12.24 -5.11 33.52 12.01 -5.83 35.51 10.25 -6.23 34.44 9.77 -4.70 35.51 11.25 -3.32 35.26 10.56 3 0 11.12-999 ?-999 ?-999 ? CH3AACT A 134 mILE.A 47 -6.37 36.69 9.92 -5.98 37.49 10.37 -6.94 37.41 7.69 -6.44 38.53 7.72 -7.45 36.76 8.95 -8.69 37.47 9.50 3 0 13.51-999 ?-999 ?-999 ? CH3AACT A 134 mGLY~A 48 -7.08 36.69 6.59 -7.53 35.81 6.74 -5.20 36.83 4.94 -4.34 36.70 5.81 -6.63 37.15 5.28-999.99-999.99-999.99 1 0 13.55-999 ?-999 ?-999 ? CH3AACT A 134 mVAL~A 49 -4.92 36.74 3.64 -5.67 36.99 3.03 -2.46 37.19 3.65 -1.37 36.73 3.99 -3.59 36.29 3.20 -3.52 36.11 1.66 3 0 11.84-999 ?-999 ?-999 ? CH3AACT A 134 mGLU~A 50 -2.68 38.52 3.64 -3.60 38.83 3.39 -1.09 39.09 5.42 0.13 39.04 5.66 -1.59 39.42 3.99 -2.03 40.87 3.91 2 0 13.43-999 ?-999 ?-999 ? CH3AACT A 134 mALA~A 51 -2.02 38.94 6.37 -2.96 39.04 6.05 -0.99 37.29 7.89 -0.11 37.09 8.69 -1.66 38.65 7.75 -2.91 38.75 8.66 2 0 12.03-999 ?-999 ?-999 ? CH3AACT A 134 mILE~A 52 -1.48 36.31 7.14 -2.30 36.57 6.62 0.56 35.04 6.61 1.46 34.43 7.18 -0.89 34.98 7.09 -1.73 34.03 6.26 3 0 8.39-999 ?-999 ?-999 ? CH3AACT A 134 mMETA 53 0.79 35.74 5.51 0.00 36.17 5.09 3.05 36.58 6.00 4.18 36.15 6.27 2.16 35.84 5.01 2.18 36.51 3.66 2 0 9.19-999 ?-999 ?-999 ? CH3AACT A 134 mGLU~A 54 2.56 37.68 6.57 1.62 37.90 6.33 3.80 37.71 8.70 4.96 37.73 9.15 3.39 38.48 7.46 2.68 39.76 7.86 2 0 11.34-999 ?-999 ?-999 ? CH3AACT A 134 mASN~A 55 2.83 37.02 9.30 1.97 36.95 8.78 3.48 34.98 10.58 3.95 34.49 11.60 3.03 36.43 10.60 1.76 36.58 11.43 2 0 9.52-999 ?-999 ?-999 ? CH3AACT A 134 mVAL~A 56 3.31 34.30 9.45 3.01 34.87 8.69 4.60 32.61 8.30 5.77 32.39 8.61 3.53 32.87 9.36 2.24 32.08 9.17 3 0 -5.90-999 ?-999 ?-999 ? CH3AACT A 134s mPHE~A 57 4.23 32.62 7.02 3.32 33.00 6.85 6.35 32.93 5.82 7.42 32.37 5.58 5.11 32.10 5.98 4.39 31.88 4.64 3 0 -6.15-999 ?-999 ?-999 ? CH3AACT A 134s mSER~A 58 6.22 34.26 5.91 5.30 34.59 6.08 8.46 34.70 6.82 9.66 34.66 6.51 7.41 35.10 5.78 7.04 36.57 5.93 2 0 8.85-999 ?-999 ?-999 ? NA NA A 135 mARG~A 59 8.02 34.41 8.04 7.02 34.46 8.12 9.43 32.64 9.07 10.59 32.40 9.38 8.90 34.06 9.16 8.17 34.27 10.50 2 0 8.27-999 ?-999 ?-999 ? NA NA A 135 mLEU~A 60 8.63 31.69 8.58 7.68 31.99 8.44 10.28 30.44 7.26 11.24 29.72 7.34 9.14 30.34 8.28 8.03 29.44 7.78 3 0 6.39-999 ?-999 ?-999 ? NA NA A 135 mGLY~A 61 10.13 31.34 6.30 9.26 31.83 6.31 12.39 32.24 5.91 13.49 31.79 5.66 11.18 31.57 5.32-999.99-999.99-999.99 1 0 -3.74-999 ?-999 ?-999 ? NA NA A 135s mSER~A 62 12.20 33.31 6.67 11.25 33.46 6.93 14.06 33.72 8.29 15.17 34.12 8.50 13.29 34.17 7.07 12.78 35.60 7.28 2 0 5.09-999 ?-999 ?-999 ? NA NA A 135 mGLU~A 63 13.43 32.95 9.16 12.52 32.65 8.86 14.57 31.13 10.45 15.23 30.75 11.41 14.02 32.57 10.43 13.03 32.74 11.58 2 0 6.37-999 ?-999 ?-999 ? NA NA A 135 mTRP^A 64 14.34 30.36 9.37 13.87 30.84 8.63 15.39 28.70 7.92 15.04 29.34 6.94 14.73 28.99 9.28 13.48 28.08 9.38 3 0 -4.65-999 ?-999 ?-999 ? NA NA A 135s mASN^A 65 16.28 27.71 7.90 16.58 27.40 8.80 15.94 25.90 6.36 15.78 25.04 7.22 16.75 27.14 6.65 18.24 26.73 6.78 2 0 4.04-999 ?-999 ?-999 ? NA NA A 135 mASP^A 66 15.42 25.85 5.15 15.50 26.71 4.64 13.60 24.20 5.43 13.40 23.00 5.56 14.78 24.68 4.60 15.82 23.59 4.41 2 0 5.13-999 ?-999 ?-999 ? NA NA A 135 mTYR^A 67 12.80 25.12 5.94 13.08 26.07 5.79 10.73 23.95 5.66 10.47 24.43 4.55 11.59 24.70 6.65 10.85 25.90 7.26 3 0 6.14-999 ?-999 ?-999 ? NA NA A 135 mLYS^A 68 10.26 22.79 6.07 10.45 22.61 7.04 8.40 21.18 5.97 8.58 20.77 7.10 9.54 21.87 5.20 10.49 20.79 4.66 2 0 8.20-999 ?-999 ?-999 ? OXTBACT A 134 mALA^A 69 7.28 21.05 5.30 7.30 21.54 4.43 5.92 19.12 4.84 5.55 19.33 3.68 6.12 20.27 5.77 4.85 21.16 5.82 2 0 6.46-999 ?-999 ?-999 ? OXTBACT A 134 mSER^A 70 6.18 17.90 5.30 6.47 17.87 6.26 4.88 15.84 4.94 4.90 15.29 6.05 6.04 16.72 4.47 7.31 15.89 4.47 2 0 9.82-999 ?-999 ?-999 ? OXTBACT A 134 mVAL^A 71 3.91 15.68 4.06 4.10 16.07 3.16 2.82 13.48 4.26 3.27 13.01 3.22 2.67 14.98 4.43 1.49 15.52 3.60 3 0 10.87-999 ?-999 ?-999 ? OXTBACT A 134 mASN^A 72 2.50 12.70 5.29 2.23 13.19 6.12 1.20 10.63 4.89 1.07 9.47 4.58 2.57 11.24 5.15 3.27 10.56 6.33 2 0 14.15-999 ?-999 ?-999 ? OXTBACT A 134 mMETA 73 0.16 11.47 5.00 0.40 12.42 5.18 -2.28 12.09 4.75 -2.42 12.90 5.66 -1.22 10.97 4.87 -1.51 10.10 6.09 2 0 14.53-999 ?-999 ?-999 ? NA NA B 135 mTYR^A 74 -3.03 12.09 3.64 -2.77 11.37 3.00 -5.42 12.29 3.60 -5.65 11.18 3.10 -4.12 13.01 3.35 -4.10 13.49 1.90 3 0 13.18-999 ?-999 ?-999 ? NA NA B 135 mHIS^A 75 -6.29 12.95 4.33 -5.96 13.84 4.64 -8.68 13.38 4.18 -8.60 14.59 4.39 -7.60 12.43 4.66 -7.78 12.30 6.18 3 0 9.81-999 ?-999 ?-999 ? NA NA B 135 mGLU.A 76 -9.69 12.82 3.49 -9.51 11.87 3.22 -11.98 13.16 4.20 -12.10 11.99 4.54 -10.94 13.51 3.15 -11.48 13.05 1.77 2 0 9.16-999 ?-999 ?-999 ? NA NA B 135 mVAL.A 77 -12.70 14.14 4.74 -12.43 15.06 4.47 -15.06 13.56 4.87 -15.49 14.36 4.07 -13.79 13.84 5.65 -13.97 14.95 6.66 3 0 7.88-999 ?-999 ?-999 ? NA NA B 135 mSER.A 78 -15.69 12.40 5.12 -15.27 11.84 5.83 -17.97 13.11 4.49 -18.31 13.58 5.60 -16.91 12.03 4.38 -17.48 10.72 4.94 2 0 6.81-999 ?-999 ?-999 ? NA NA B 135 mGLY.A 79 -18.50 13.51 3.34 -18.07 13.12 2.52 -19.33 15.86 3.78 -20.25 16.65 4.08 -19.64 14.44 3.32-999.99-999.99-999.99 1 0 10.33-999 ?-999 ?-999 ? NA NA B 135 mLYS.A 80 -18.06 16.21 3.85 -17.42 15.50 3.56 -16.58 18.09 3.44 -15.81 17.31 2.85 -17.66 17.55 4.32 -17.13 17.50 5.75 2 0 12.09-999 ?-999 ?-999 ? NA NA B 135 mASP.A 81 -16.43 19.42 3.39 -17.13 19.92 3.89 -14.16 20.33 3.59 -13.73 21.45 3.78 -15.35 20.07 2.65 -15.87 21.37 2.05 2 0 14.62-999 ?-999 ?-999 ? NA NA B 135 mVAL^A 82 -13.63 19.25 4.16 -14.06 18.40 3.84 -11.53 18.25 4.68 -11.85 17.09 4.41 -12.57 19.26 5.12 -13.07 18.94 6.55 3 0 13.44-999 ?-999 ?-999 ? NA NA B 135 mILE^A 83 -10.27 18.68 4.65 -10.18 19.66 4.85 -8.20 17.91 5.59 -7.93 19.01 6.08 -9.12 17.83 4.35 -8.37 18.32 3.08 3 0 13.25-999 ?-999 ?-999 ? NA NA B 135 mILE^A 84 -7.74 16.74 6.05 -8.04 15.93 5.55 -5.57 16.00 6.78 -5.61 14.89 6.21 -6.87 16.67 7.21 -7.56 15.92 8.38 3 0 12.65-999 ?-999 ?-999 ? O BACT A 134 mALA^A 85 -4.44 16.67 7.00 -4.56 17.55 7.46 -2.35 15.84 7.89 -2.18 16.71 8.75 -3.15 16.15 6.61 -2.41 17.16 5.76 2 0 10.86-999 ?-999 ?-999 ? OXTBACT A 134 mGLU^A 86 -1.80 14.62 7.95 -2.14 14.00 7.24 0.56 14.30 8.31 0.76 13.78 7.20 -0.81 14.22 8.96 -1.02 12.78 9.38 2 0 11.27-999 ?-999 ?-999 ? OXTBACT A 134 mGLY^A 87 1.51 14.91 9.01 1.24 15.29 9.90 3.92 15.33 9.46 3.72 15.24 10.68 2.84 15.00 8.44-999.99-999.99-999.99 1 0 9.88-999 ?-999 ?-999 ? OXTBACT A 134 mMETA 88 5.07 15.73 8.92 5.02 15.85 7.93 6.96 17.25 9.19 7.21 17.40 8.00 6.30 15.96 9.68 7.27 14.79 9.44 2 0 9.57-999 ?-999 ?-999 ? OXTBACT A 134 mTYR^A 89 7.24 18.18 10.11 6.84 18.00 11.01 9.50 19.01 10.02 9.84 18.18 10.85 8.05 19.35 9.80 7.74 20.43 10.81 3 0 -7.61-999 ?-999 ?-999 ? OXTBACT A 134s mSER^A 90 10.35 19.69 9.27 9.92 20.17 8.51 12.32 21.07 9.15 11.70 21.84 8.42 11.77 19.72 9.52 12.50 18.65 8.72 2 0 10.29-999 ?-999 ?-999 ? OXTBACT A 134 mGLY^A 91 13.50 21.39 9.67 13.91 20.68 10.24 15.27 22.90 10.35 15.45 22.14 11.31 14.12 22.69 9.40-999.99-999.99-999.99 1 0 8.53-999 ?-999 ?-999 ? NA NA A 135 mVAL^A 92 16.01 23.94 10.06 15.76 24.37 9.19 16.81 25.86 11.32 16.55 26.71 10.46 17.10 24.43 10.92 18.46 24.37 10.21 3 0 8.64-999 ?-999 ?-999 ? NA NA A 135 mTYR^A 93 16.85 26.13 12.63 17.04 25.36 13.24 17.90 28.34 12.85 18.98 27.97 13.32 16.63 27.49 13.07 16.27 27.53 14.56 3 0 8.96-999 ?-999 ?-999 ? NA NA A 135 mLYS.A 94 17.79 29.43 12.11 16.85 29.69 11.89 19.81 30.64 12.88 21.05 30.52 12.88 19.01 30.15 11.68 18.72 31.32 10.73 2 0 8.35-999 ?-999 ?-999 ? NA NA A 135 mASP.A 95 19.16 31.20 13.90 18.16 31.13 13.84 20.71 30.88 15.84 21.72 31.28 16.40 19.91 31.86 14.99 18.98 32.69 15.87 2 0 11.83-999 ?-999 ?-999 ? NA NA A 135 mTHR.A 96 20.27 29.62 15.95 19.42 29.44 15.45 21.70 27.55 15.91 22.58 26.85 16.45 20.96 28.60 16.74 20.00 27.85 17.65 2 0 13.75-999 ?-999 ?-999 ? NA NA A 135 mGLY.A 97 21.32 27.38 14.64 20.66 28.04 14.30 21.32 24.93 14.16 21.80 23.92 13.63 21.85 26.32 13.83-999.99-999.99-999.99 1 0 12.27-999 ?-999 ?-999 ? NA NA A 135 mLYS.A 98 20.30 24.85 15.01 19.94 25.73 15.32 18.70 23.08 14.51 17.82 23.84 14.10 19.78 23.57 15.45 19.21 23.66 16.86 2 0 13.53-999 ?-999 ?-999 ? NA NA A 135 mSER^A 99 18.77 21.78 14.19 19.61 21.35 14.51 16.61 20.60 14.33 16.79 20.47 15.54 17.75 21.06 13.44 18.38 19.83 12.75 2 0 12.80-999 ?-999 ?-999 ? NA NA A 135 mPHE^A 100 15.47 20.35 13.72 15.44 20.64 12.76 13.54 18.86 13.49 13.55 19.08 12.26 14.36 19.69 14.44 13.44 20.67 15.20 3 0 13.74-999 ?-999 ?-999 ? OXTBACT A 134 mGLU^A 101 12.75 17.96 14.09 12.99 17.78 15.04 10.44 17.34 14.30 10.61 17.13 15.51 11.63 17.32 13.39 11.94 15.86 13.03 2 0 12.38-999 ?-999 ?-999 ? OXTBACT A 134 mALA^A 102 9.24 17.60 13.79 9.25 17.77 12.80 6.84 17.20 13.87 6.61 17.68 12.74 8.05 17.64 14.66 7.80 19.06 15.22 2 0 10.57-999 ?-999 ?-999 ? OXTBACT A 134 mGLU^A 103 6.03 16.34 14.44 6.31 16.02 15.35 3.76 17.00 13.82 3.72 17.81 14.75 4.83 15.92 13.74 4.32 14.63 14.33 2 0 10.34-999 ?-999 ?-999 ? OXTBACT A 134 mPHE^A 104 2.89 16.97 12.82 3.08 16.25 12.15 0.52 17.25 12.18 0.61 16.28 11.42 1.77 17.92 12.74 2.16 19.16 11.87 3 0 8.00-999 ?-999 ?-999 ? OXTBACT A 134 mVAL^A 105 -0.60 17.91 12.46 -0.53 18.55 13.23 -2.34 19.06 11.31 -2.31 20.00 12.12 -1.82 17.69 11.70 -2.93 17.00 12.53 3 0 8.91-999 ?-999 ?-999 ? O BACT A 134 mHIS^A 106 -2.72 19.19 10.06 -2.52 18.38 9.51 -4.80 20.07 9.19 -5.07 19.12 8.44 -3.37 20.39 9.55 -2.65 20.89 8.31 3 0 -7.24-999 ?-999 ?-999 ? O BACT A 134s mVAL^A 107 -5.72 20.90 9.67 -5.35 21.62 10.26 -7.55 21.91 8.44 -7.46 23.10 8.84 -7.14 20.75 9.34 -8.02 20.72 10.62 3 0 9.93-999 ?-999 ?-999 ? O BACT A 134 mTRP^A 108 -7.92 21.58 7.22 -7.92 20.59 7.08 -9.80 22.47 5.93 -10.35 21.38 5.82 -8.30 22.55 6.18 -7.61 22.17 4.86 3 0 10.92-999 ?-999 ?-999 ? O BACT A 134 mGLN^A 109 -10.41 23.64 5.78 -9.82 24.43 5.91 -11.99 24.64 4.24 -11.45 25.74 4.22 -11.83 23.73 5.44 -12.63 24.24 6.62 2 0 14.14-999 ?-999 ?-999 ? O BACT A 134 mLEU^A 110 -12.77 24.16 3.27 -13.18 23.28 3.48 -14.48 25.17 1.84 -15.33 24.49 2.41 -12.99 24.88 2.02 -12.49 24.04 0.82 3 0 16.48-999 ?-999 ?-999 ? O BACT A 134 mGLU^A 111 -14.74 26.19 1.03 -13.94 26.75 0.81 -15.93 26.68 -0.97 -15.21 27.59 -1.41 -16.08 26.47 0.52 -16.70 27.74 1.16 2 0 19.79-999 ?-999 ?-999 ? CH3AACT A 134 mASN.A 112 -16.62 25.83 -1.73 -17.12 25.12 -1.23 -15.24 26.17 -3.78 -15.06 27.01 -4.65 -16.62 25.94 -3.18 -17.62 26.98 -3.65 2 0 22.00-999 ?-999 ?-999 ? CH3AACT A 134 mGLY.A 113 -14.27 25.36 -3.33 -14.54 24.75 -2.58 -11.97 26.46 -3.40 -10.86 26.54 -3.88 -12.94 25.41 -3.92-999.99-999.99-999.99 1 0 19.46-999 ?-999 ?-999 ? CH3AACT A 134 mLYS^A 114 -12.36 27.21 -2.37 -13.30 27.05 -2.06 -11.30 27.80 -0.31 -12.23 27.37 0.40 -11.48 28.18 -1.76 -12.01 29.62 -1.85 2 0 16.92-999 ?-999 ?-999 ? CH3AACT A 134 mILE^A 115 -10.07 27.98 0.19 -9.42 28.35 -0.46 -10.27 28.74 2.49 -9.86 29.91 2.37 -9.74 27.64 1.59 -8.22 27.48 1.76 3 0 13.62-999 ?-999 ?-999 ? CH3AACT A 134 mVAL^A 116 -11.13 28.37 3.42 -11.31 27.38 3.43 -11.19 29.21 5.77 -11.28 30.15 6.54 -11.73 29.32 4.34 -13.25 29.30 4.30 3 0 14.55-999 ?-999 ?-999 ? CH3AACT A 134 mLYS^A 117 -10.66 28.05 6.14 -10.71 27.34 5.44 -8.88 26.92 7.38 -8.88 25.96 6.60 -10.05 27.86 7.46 -11.06 27.27 8.45 2 0 11.87-999 ?-999 ?-999 ? O BACT A 134 mPHE^A 118 -7.89 27.19 8.22 -8.01 28.08 8.67 -6.48 26.31 9.94 -6.50 27.37 10.56 -6.76 26.29 8.45 -5.53 26.85 7.70 3 0 -8.28-999 ?-999 ?-999 ? O BACT A 134s mLYS^A 119 -6.19 25.14 10.49 -6.37 24.34 9.93 -4.52 24.10 11.89 -4.59 23.02 11.30 -5.66 25.08 11.84 -6.73 24.71 12.87 2 0 7.27-999 ?-999 ?-999 ? O BACT A 134 mGLN^A 120 -3.49 24.51 12.60 -3.62 25.44 12.97 -2.31 23.08 14.24 -2.56 23.77 15.24 -2.30 23.72 12.85 -1.08 24.65 12.82 2 0 -5.06-999 ?-999 ?-999 ? O BACT A 134s mTYR^A 121 -2.00 21.80 14.27 -2.05 21.37 13.36 -0.21 20.57 15.31 0.14 20.09 14.24 -1.64 21.07 15.48 -2.58 19.87 15.72 3 0 7.82-999 ?-999 ?-999 ? O BACT A 134 mVAL^A 122 0.65 20.77 16.30 0.25 21.10 17.16 2.72 20.20 17.45 2.35 20.79 18.48 2.06 20.52 16.11 2.77 21.72 15.44 3 0 8.08-999 ?-999 ?-999 ? O BACT A 134 mASP~A 123 3.72 19.31 17.43 3.85 18.90 16.53 5.54 20.11 18.85 6.75 20.05 18.53 4.56 18.95 18.58 5.25 17.64 18.31 2 0 11.27-999 ?-999 ?-999 ? O AACT A 134 mSER~A 124 4.97 21.17 19.38 4.04 21.01 19.69 6.84 22.44 20.43 7.73 23.26 20.26 5.64 22.43 19.50 4.63 23.48 19.95 2 0 10.34-999 ?-999 ?-999 ? O AACT A 134 mHIS~A 125 6.89 21.52 21.41 6.10 20.91 21.49 9.32 21.26 21.43 10.35 21.90 21.71 8.05 21.45 22.26 7.89 20.32 23.27 3 0 13.86-999 ?-999 ?-999 ? O AACT A 134 mLEU~A 126 9.25 20.42 20.41 8.35 20.01 20.24 10.86 21.31 18.78 12.04 21.49 18.52 10.42 20.12 19.63 10.24 18.85 18.80 3 0 13.46-999 ?-999 ?-999 ? O AACT A 134 mVAL~A 127 9.90 22.10 18.31 8.96 21.79 18.50 10.90 24.30 18.51 11.92 24.89 18.15 10.19 23.30 17.59 8.89 23.91 17.01 3 0 10.66-999 ?-999 ?-999 ? O AACT A 134 mARG~A 128 10.33 24.49 19.68 9.50 23.95 19.82 12.27 25.03 21.12 13.14 25.87 21.33 10.88 25.42 20.66 9.93 25.56 21.85 2 0 12.98-999 ?-999 ?-999 ? O AACT A 134 mGLU~A 129 12.54 23.75 21.22 11.78 23.15 20.97 14.95 23.69 20.64 16.08 24.04 21.02 13.86 23.29 21.65 13.89 21.79 21.85 2 0 15.96-999 ?-999 ?-999 ? O AACT A 134 mALA~A 130 14.61 23.71 19.36 13.67 23.43 19.18 15.89 25.62 18.41 16.88 26.08 17.85 15.56 24.12 18.32 15.02 23.79 16.91 2 0 14.79-999 ?-999 ?-999 ? NA NA A 135 mMETA 131 15.03 26.39 19.08 14.28 25.90 19.52 15.96 28.28 20.38 16.19 29.46 20.52 15.18 27.82 19.15 13.82 28.48 19.15 2 0 14.60-999 ?-999 ?-999 ? NA NA A 135 mLYS~A 132 16.34 27.35 21.23 16.07 26.43 20.96 18.55 27.68 22.13 19.04 26.79 21.47 17.09 27.67 22.44 16.89 26.60 23.50 2 0 18.06-999 ?-999 ?-999 ? NA NA A 135 mSER~A 133 19.24 28.68 22.66 18.69 29.31 23.21 21.40 27.75 23.25 20.86 27.12 24.16 20.67 28.82 22.45 21.15 30.19 22.93 2 0 18.84-999 ?-999 ?-999 ? NA NA A 135 mPRO~B 2 -23.15 -4.59 15.77 -23.87 -5.08 15.29 -22.33 -2.36 16.52 -22.99 -1.80 15.64 -22.09 -3.87 16.49 -20.83 -4.18 15.67 3 0 15.61-999 ?-999 ?-999 ? NA NA B 135 mLYS~B 3 -21.77 -1.72 17.54 -21.31 -2.32 18.19 -20.99 0.38 16.58 -20.01 -0.20 16.19 -21.83 -0.27 17.68 -21.31 0.10 19.07 2 0 14.32-999 ?-999 ?-999 ? NA NA B 135 mALA~B 4 -21.42 1.52 16.06 -22.30 1.83 16.43 -19.28 2.68 15.59 -19.13 3.03 16.78 -20.65 2.24 15.04 -21.41 3.48 14.60 2 0 10.70-999 ?-999 ?-999 ? NA NA B 135 mASN~B 5 -18.30 2.76 14.71 -18.56 2.51 13.78 -16.95 4.56 15.77 -16.30 4.77 16.77 -16.95 3.19 15.13 -15.97 3.10 13.99 2 0 8.91-999 ?-999 ?-999 ? NA NA B 135 mLEU~B 6 -17.69 5.48 15.19 -18.13 5.20 14.34 -18.31 6.73 17.23 -17.80 7.40 18.13 -17.81 6.79 15.79 -18.71 7.67 14.93 3 0 9.32-999 ?-999 ?-999 ? NA NA B 135 mGLU~B 7 -19.34 5.91 17.45 -19.69 5.43 16.64 -18.85 5.10 19.76 -18.72 5.50 20.93 -19.87 5.74 18.80 -21.15 4.87 18.70 2 0 12.86-999 ?-999 ?-999 ? NA NA B 135 mILE~B 8 -18.08 4.15 19.25 -18.25 3.92 18.30 -16.04 4.57 20.50 -15.70 4.72 21.68 -17.07 3.52 20.08 -16.38 2.37 19.37 3 0 13.53-999 ?-999 ?-999 ? NA NA B 135 mILE~B 9 -15.53 5.35 19.55 -15.86 5.17 18.63 -15.13 7.44 20.83 -14.48 7.78 21.84 -14.57 6.37 19.92 -13.90 6.98 18.65 3 0 12.87-999 ?-999 ?-999 ? CH3AACT B 134 mARG~B 10 -16.35 7.91 20.56 -16.80 7.53 19.75 -17.03 8.38 22.85 -16.87 9.12 23.81 -16.94 8.93 21.42 -18.35 9.32 20.91 2 0 13.60-999 ?-999 ?-999 ? OXTAACT B 134 mSER~B 11 -17.34 7.08 22.98 -17.46 6.59 22.11 -16.21 6.41 25.14 -16.26 6.11 26.33 -17.48 6.45 24.28 -18.05 5.03 24.12 2 0 14.14-999 ?-999 ?-999 ? CH3AACT B 134 mTHR~B 12 -15.06 6.71 24.53 -15.11 6.89 23.55 -13.56 8.18 25.83 -12.64 8.33 26.59 -13.82 6.77 25.28 -12.59 6.29 24.42 2 0 10.42-999 ?-999 ?-999 ? CH3AACT B 134 mTYR~B 13 -14.38 9.15 25.44 -15.09 8.86 24.80 -15.41 11.15 26.66 -15.21 12.03 27.54 -14.21 10.53 25.90 -13.98 11.49 24.75 3 0 9.92-999 ?-999 ?-999 ? OXTAACT B 134 mGLU~B 14 -16.63 10.76 26.23 -16.63 9.88 25.76 -18.56 11.29 27.77 -19.53 11.98 28.09 -17.86 11.57 26.46 -18.87 11.48 25.30 2 0 13.50-999 ?-999 ?-999 ? OXTAACT B 134 mGLY~B 15 -18.05 10.34 28.55 -17.20 9.94 28.21 -17.83 10.21 30.98 -16.93 11.03 30.90 -18.73 9.93 29.80-999.99-999.99-999.99 1 0 15.04-999 ?-999 ?-999 ? OXTAACT B 134 mSER~B 16 -18.11 9.58 32.11 -18.94 9.02 32.09 -15.89 9.10 33.02 -15.72 8.31 32.06 -17.24 9.72 33.27 -17.86 8.97 34.45 2 0 15.05-999 ?-999 ?-999 ? OXTAACT B 134 mALA~B 17 -14.91 9.42 33.86 -15.14 10.09 34.57 -13.71 7.27 33.74 -13.01 6.59 33.00 -13.60 8.79 33.69 -12.62 9.26 34.71 2 0 12.30-999 ?-999 ?-999 ? CH3AACT B 134 mSER~B 18 -14.54 6.73 34.63 -15.05 7.37 35.21 -15.31 4.69 33.47 -14.88 3.64 33.01 -14.64 5.28 34.72 -15.33 4.83 36.03 2 0 14.37-999 ?-999 ?-999 ? CH3AACT B 134 mSER~B 19 -16.38 5.31 32.94 -16.66 6.16 33.37 -16.06 4.84 30.63 -15.86 3.86 29.93 -17.03 4.72 31.80 -18.36 5.35 31.44 2 0 15.11-999 ?-999 ?-999 ? CH3AACT B 134 mASN~B 20 -15.41 5.99 30.47 -15.66 6.69 31.14 -13.31 5.09 29.38 -12.94 4.50 28.33 -14.42 6.18 29.38 -13.77 7.57 29.54 2 0 11.54-999 ?-999 ?-999 ? CH3AACT B 134 mALA~B 21 -12.76 4.81 30.54 -13.15 5.33 31.30 -12.12 2.39 30.34 -11.40 1.61 29.72 -11.67 3.83 30.67 -11.09 3.88 32.06 2 0 10.65-999 ?-999 ?-999 ? CH3AACT B 134 mLYS~B 22 -13.33 2.07 30.78 -13.82 2.80 31.24 -14.12 0.55 29.08 -13.83 -0.49 28.48 -13.85 0.72 30.56 -15.13 0.53 31.39 2 0 14.02-999 ?-999 ?-999 ? CH3AACT B 134 mHIS~B 23 -14.74 1.58 28.50 -14.98 2.33 29.13 -13.75 1.41 26.21 -13.73 0.66 25.23 -15.03 1.58 27.07 -15.82 2.83 26.66 3 0 13.76-999 ?-999 ?-999 ? CH3AACT B 134 mLEU~B 24 -12.70 2.12 26.59 -12.83 2.69 27.40 -10.92 0.62 25.93 -10.59 0.03 24.90 -11.46 2.04 25.83 -10.45 3.05 26.39 3 0 10.71-999 ?-999 ?-999 ? CH3AACT B 134 mALA~B 25 -10.81 0.07 27.16 -11.13 0.64 27.92 -10.98 -2.36 26.56 -10.39 -3.26 26.00 -10.24 -1.27 27.35 -10.20 -1.64 28.83 2 0 12.61-999 ?-999 ?-999 ? CH3AACT B 134 mGLU~B 26 -12.30 -2.21 26.49 -12.64 -1.40 26.97 -12.92 -3.11 24.30 -13.17 -4.09 23.61 -13.16 -3.15 25.80 -14.63 -2.82 26.11 2 0 15.76-999 ?-999 ?-999 ? CH3AACT B 134 mALA~B 27 -12.47 -1.96 23.80 -12.25 -1.27 24.48 -10.91 -1.97 21.80 -10.76 -2.12 20.59 -12.31 -1.77 22.35 -12.83 -0.36 21.94 2 0 14.67-999 ?-999 ?-999 ? CH3AACT B 134 mLEU^B 28 -9.88 -1.96 22.65 -10.14 -1.87 23.61 -8.19 -3.49 21.67 -8.53 -4.49 22.31 -8.49 -2.08 22.19 -7.51 -1.79 23.31 3 0 13.17-999 ?-999 ?-999 ? CH3AACT B 134 mSER^B 29 -7.56 -3.57 20.51 -7.46 -2.70 20.04 -5.88 -5.28 20.84 -5.21 -4.47 21.49 -7.06 -4.82 19.99 -6.59 -4.61 18.55 2 0 16.00-999 ?-999 ?-999 ? CH3AACT B 134 mGLU^B 30 -5.61 -6.59 20.83 -6.21 -7.15 20.26 -3.16 -6.45 21.25 -2.35 -6.25 22.14 -4.51 -7.11 21.59 -4.42 -8.64 21.40 2 0 17.30-999 ?-999 ?-999 ? CH3AACT B 134 mLYS^B 31 -2.89 -6.14 19.98 -3.63 -6.29 19.33 -1.76 -4.18 19.11 -1.00 -3.70 18.28 -1.58 -5.62 19.60 -0.92 -6.45 18.51 2 0 16.71-999 ?-999 ?-999 ? CH3BACT B 134 mVAL^B 32 -2.69 -3.46 19.74 -3.22 -3.99 20.41 -1.57 -1.29 19.56 -0.81 -1.51 20.49 -2.90 -2.02 19.45 -3.98 -1.40 20.36 3 0 13.46-999 ?-999 ?-999 ? CH3AACT B 134 mGLU^B 33 -1.32 -0.44 18.57 -2.02 -0.46 17.86 -0.62 1.82 18.93 -1.50 2.40 18.30 -0.16 0.42 18.51 0.38 0.43 17.07 2 0 12.28-999 ?-999 ?-999 ? O BACT B 134 mTRP^B 34 -0.03 2.33 20.02 0.73 1.77 20.37 0.69 4.53 20.74 1.63 4.24 21.46 -0.46 3.58 20.64 -1.01 3.28 22.02 3 0 8.52-999 ?-999 ?-999 ? O BACT B 134 mTHR^B 35 0.63 5.64 20.01 -0.22 5.76 19.50 1.37 7.92 20.63 0.41 8.58 20.21 1.73 6.59 19.97 2.18 6.86 18.50 2 0 7.66-999 ?-999 ?-999 ? O BACT B 134 mGLU^B 36 2.13 8.25 21.68 2.71 7.51 22.01 3.16 10.41 21.56 4.25 9.91 21.22 2.11 9.56 22.28 2.45 9.48 23.76 2 0 -5.52-999 ?-999 ?-999 ? O BACT B 134s mALA~B 37 2.88 11.70 21.37 2.00 11.99 21.75 5.15 12.61 21.34 5.26 12.64 22.57 3.78 12.58 20.66 3.21 14.02 20.62 2 0 7.80-999 ?-999 ?-999 ? O BACT B 134 mGLU~B 38 6.18 12.70 20.53 5.94 12.78 19.56 7.80 13.76 22.09 8.47 13.48 23.11 7.55 12.69 21.03 8.51 12.85 19.86 2 0 11.05-999 ?-999 ?-999 ? O BACT B 134 mGLY~B 39 7.30 14.97 21.88 6.78 15.05 21.03 6.65 16.02 24.05 6.87 16.77 24.97 7.52 16.08 22.81-999.99-999.99-999.99 1 0 11.36-999 ?-999 ?-999 ? O AACT B 134 mPHE~B 40 5.61 15.20 24.04 5.48 14.71 23.18 5.56 14.24 26.26 6.37 13.38 25.89 4.76 15.04 25.23 3.50 14.31 24.79 3 0 8.00-999 ?-999 ?-999 ? O AACT B 134 mPRO~B 41 5.28 14.46 27.56 4.52 15.07 27.77 6.09 12.25 28.48 7.02 11.60 28.95 6.13 13.77 28.55 5.60 14.26 29.90 3 0 9.10-999 ?-999 ?-999 ? O AACT B 134 mTYR~B 42 5.00 11.67 27.98 4.31 12.32 27.66 5.03 9.72 26.45 4.61 8.63 26.10 4.85 10.22 27.89 3.52 9.77 28.48 3 0 7.48-999 ?-999 ?-999 ? O AACT B 134 mGLY~B 43 5.74 10.54 25.67 6.04 11.38 26.10 6.61 8.83 24.10 7.43 8.34 24.88 6.03 10.21 24.30-999.99-999.99-999.99 1 0 8.63-999 ?-999 ?-999 ? O AACT B 134 mGLY^B 44 6.20 8.23 23.00 5.55 8.76 22.45 5.54 6.10 21.99 4.40 6.52 21.96 6.64 6.91 22.63-999.99-999.99-999.99 1 0 10.38-999 ?-999 ?-999 ? O BACT B 134 mTHR^B 45 5.86 4.91 21.53 6.85 4.73 21.59 4.85 2.76 21.90 5.90 2.15 22.20 4.89 3.97 20.99 5.21 3.57 19.55 2 0 10.87-999 ?-999 ?-999 ? O BACT B 134 mTYR^B 46 3.63 2.39 22.26 2.92 2.93 21.82 2.42 0.33 22.52 1.53 0.72 21.79 3.32 1.33 23.20 2.66 1.91 24.46 3 0 11.15-999 ?-999 ?-999 ? CH3BACT B 134 mILE^B 47 2.69 -0.97 22.74 3.45 -1.14 23.36 1.15 -2.76 23.16 1.73 -3.32 24.12 1.92 -2.03 22.10 2.83 -2.99 21.35 3 0 13.48-999 ?-999 ?-999 ? CH3BACT B 134 mGLY~B 48 -0.16 -2.74 23.05 -0.47 -2.19 22.28 -1.47 -2.65 25.17 -0.75 -1.76 25.63 -1.05 -3.45 23.94-999.99-999.99-999.99 1 0 13.45-999 ?-999 ?-999 ? CH3BACT B 134 mVAL~B 49 -2.62 -3.03 25.71 -3.02 -3.85 25.31 -2.32 -2.14 28.05 -2.25 -1.11 28.66 -3.22 -2.27 26.82 -4.60 -2.84 27.17 3 0 11.84-999 ?-999 ?-999 ? CH3BACT B 134 mGLU~B 50 -1.65 -3.25 28.39 -1.78 -4.02 27.77 0.17 -2.10 29.55 0.17 -1.27 30.47 -0.79 -3.28 29.58 -0.01 -4.62 29.67 2 0 13.53-999 ?-999 ?-999 ? CH3BACT B 134 mALA~B 51 0.94 -2.00 28.45 0.76 -2.70 27.77 1.35 0.48 28.25 1.94 1.44 28.75 1.96 -0.94 28.29 2.86 -1.22 27.06 2 0 12.01-999 ?-999 ?-999 ? CH3BACT B 134 mILE~B 52 0.19 0.58 27.63 -0.16 -0.27 27.25 -0.91 2.32 28.92 -0.73 3.50 29.28 -0.51 1.86 27.54 -1.70 1.76 26.57 3 0 8.36-999 ?-999 ?-999 ? CH3BACT B 134 mMETB 53 -1.42 1.39 29.73 -1.52 0.47 29.35 -0.63 2.22 31.96 -0.69 3.22 32.66 -1.79 1.80 31.09 -2.62 0.72 31.80 2 0 9.27-999 ?-999 ?-999 ? CH3BACT B 134 mGLU~B 54 0.43 1.43 31.92 0.39 0.65 31.30 2.26 3.05 32.34 2.66 3.84 33.20 1.56 1.75 32.76 2.53 0.58 32.78 2 0 11.32-999 ?-999 ?-999 ? CH3BACT B 134 mASN~B 55 2.48 3.23 31.04 2.05 2.57 30.43 2.56 5.61 30.28 3.18 6.66 30.20 3.32 4.32 30.58 4.07 3.89 29.33 2 0 9.61-999 ?-999 ?-999 ? CH3BACT B 134 mVAL~B 56 1.25 5.53 30.14 0.86 4.63 30.32 -0.63 7.01 30.78 -0.51 7.98 31.53 0.45 6.68 29.75 -0.13 6.51 28.32 3 0 -5.99-999 ?-999 ?-999 ? CH3BACT B 134s mPHE~B 57 -1.70 6.23 30.83 -1.65 5.39 30.29 -2.53 6.66 33.13 -3.00 7.59 33.80 -2.83 6.62 31.64 -4.04 5.73 31.35 3 0 -6.11-999 ?-999 ?-999 ? CH3BACT B 134s mSER~B 58 -1.73 5.74 33.65 -1.36 5.06 33.01 -0.74 7.09 35.46 -0.97 7.65 36.53 -1.45 5.79 35.08 -0.63 4.60 35.51 2 0 9.76-999 ?-999 ?-999 ? CH3BACT B 134 mARG~B 59 0.12 7.58 34.56 0.18 7.03 33.73 0.04 10.06 34.65 0.18 11.03 35.39 0.89 8.81 34.81 2.11 8.87 33.92 2 0 9.60-999 ?-999 ?-999 ? CH3BACT B 134 mLEU~B 60 -0.88 10.06 33.69 -0.85 9.27 33.08 -2.65 11.30 34.90 -2.99 12.40 35.31 -1.84 11.16 33.60 -2.77 10.97 32.41 3 0 7.52-999 ?-999 ?-999 ? O AACT B 134 mGLY~B 61 -2.97 10.17 35.52 -2.69 9.33 35.05 -2.77 10.62 37.94 -3.16 11.43 38.78 -3.67 10.17 36.80-999.99-999.99-999.99 1 0 10.50-999 ?-999 ?-999 ? CH3BACT B 134 mSER~B 62 -1.55 10.11 38.01 -1.25 9.60 37.20 0.06 11.60 39.24 0.35 12.11 40.33 -0.73 10.30 39.19 0.22 9.11 39.38 2 0 13.19-999 ?-999 ?-999 ? CH3BACT B 134 mGLU~B 63 0.43 12.14 38.09 0.08 11.66 37.28 0.50 14.65 37.87 1.11 15.72 37.97 1.27 13.34 38.03 2.33 13.16 36.93 2 0 12.60-999 ?-999 ?-999 ? O AACT B 134 mTRP^B 64 -0.80 14.58 37.62 -1.17 13.65 37.68 -2.86 15.66 38.15 -3.37 14.57 38.44 -1.61 15.74 37.30 -2.03 15.71 35.81 3 0 12.02-999 ?-999 ?-999 ? O AACT B 134 mASN^B 65 -3.40 16.83 38.48 -2.81 17.62 38.34 -5.70 17.31 37.87 -5.45 18.24 37.09 -4.73 16.90 38.98 -4.83 17.84 40.18 2 0 14.18-999 ?-999 ?-999 ? OXTAACT B 134 mASP^B 66 -6.78 16.55 37.78 -6.76 15.76 38.40 -7.45 16.90 35.42 -7.96 17.70 34.64 -7.88 16.84 36.88 -8.57 18.14 37.28 2 0 12.70-999 ?-999 ?-999 ? OXTAACT B 134 mTYR^B 67 -6.57 15.98 35.03 -6.18 15.42 35.77 -7.49 15.51 32.83 -8.22 14.58 33.19 -6.22 15.85 33.62 -5.10 14.82 33.38 3 0 9.04-999 ?-999 ?-999 ? OXTAACT B 134 mLYS^B 68 -7.79 16.29 31.80 -7.10 16.98 31.59 -8.76 16.32 29.56 -8.01 17.21 29.15 -9.01 16.16 31.04 -10.00 17.23 31.47 2 0 8.26-999 ?-999 ?-999 ? OXTAACT B 134 mALA^B 69 -9.41 15.48 28.78 -9.89 14.77 29.29 -10.87 15.79 26.88 -11.73 14.95 27.13 -9.43 15.58 27.32 -8.89 14.34 26.71 2 0 6.49-999 ?-999 ?-999 ? OXTAACT B 134 mSER^B 70 -11.11 16.91 26.25 -10.31 17.50 26.15 -12.32 17.30 24.22 -11.32 17.70 23.70 -12.43 17.25 25.74 -12.85 18.60 26.34 2 0 9.71-999 ?-999 ?-999 ? OXTAACT B 134 mVAL^B 71 -13.30 16.79 23.52 -14.03 16.40 24.08 -14.32 17.85 21.58 -15.46 17.92 22.02 -13.33 16.80 22.07 -13.68 15.40 21.48 3 0 10.88-999 ?-999 ?-999 ? OXTAACT B 134 mASN^B 72 -13.90 18.70 20.65 -12.94 18.57 20.39 -15.29 19.35 18.68 -16.17 20.02 18.13 -14.80 19.71 20.07 -14.18 21.11 20.06 2 0 14.25-999 ?-999 ?-999 ? OXTAACT B 134 mMETB 73 -14.71 18.30 18.10 -13.98 17.90 18.66 -14.54 16.39 16.39 -13.32 16.19 16.45 -15.12 17.78 16.76 -14.71 18.80 15.67 2 0 15.20-999 ?-999 ?-999 ? NA NA B 135 mTYR^B 74 -15.42 15.47 15.95 -16.37 15.78 16.00 -15.23 14.16 13.94 -16.19 14.73 13.41 -15.07 14.15 15.46 -15.97 13.07 16.06 3 0 11.65-999 ?-999 ?-999 ? NA NA B 135 mHIS^B 75 -14.31 13.53 13.26 -13.60 13.12 13.85 -14.25 12.00 11.37 -13.38 11.28 11.82 -14.33 13.44 11.80 -13.14 14.16 11.18 3 0 8.74-999 ?-999 ?-999 ? NA NA B 135 mGLU^B 76 -15.14 11.60 10.46 -15.84 12.28 10.25 -14.41 10.39 8.49 -14.88 11.12 7.61 -15.11 10.29 9.85 -16.52 9.74 9.68 2 0 5.05-999 ?-999 ?-999 ? NA NA B 135 mVAL~B 77 -13.34 9.63 8.30 -13.14 8.99 9.04 -13.02 8.86 5.96 -13.24 7.65 6.13 -12.53 9.74 7.11 -11.06 9.44 7.42 3 0 -4.24-999 ?-999 ?-999 ? NA NA B 135s mSER~B 78 -13.20 9.44 4.79 -12.97 10.42 4.80 -12.66 7.69 3.14 -11.49 8.01 2.90 -13.68 8.73 3.60 -13.94 9.73 2.48 2 0 4.42-999 ?-999 ?-999 ? NA NA B 135 mGLY~B 79 -13.14 6.47 2.98 -14.10 6.39 3.25 -11.47 4.70 3.49 -10.61 3.90 3.11 -12.36 5.37 2.47-999.99-999.99-999.99 1 0 5.18-999 ?-999 ?-999 ? NA NA B 135 mLYS~B 80 -11.64 5.03 4.77 -12.35 5.71 4.92 -11.77 4.14 7.03 -12.83 4.72 7.16 -10.86 4.43 5.84 -9.73 5.39 6.28 2 0 -4.41-999 ?-999 ?-999 ? NA NA B 135s mASP~B 81 -11.25 3.32 7.93 -10.39 2.89 7.64 -11.12 3.94 10.27 -10.59 3.44 11.28 -11.85 3.05 9.23 -11.72 1.57 9.57 2 0 4.77-999 ?-999 ?-999 ? NA NA B 135 mVAL^B 82 -11.15 5.25 10.03 -11.76 5.52 9.28 -11.31 7.27 11.30 -12.16 7.80 10.56 -10.36 6.20 10.79 -9.20 6.80 9.96 3 0 5.79-999 ?-999 ?-999 ? NA NA B 135 mILE^B 83 -11.14 7.59 12.59 -10.47 7.03 13.07 -10.82 9.63 13.77 -9.89 9.22 14.46 -11.87 8.68 13.24 -12.77 8.18 14.41 3 0 7.32-999 ?-999 ?-999 ? NA NA B 135 mILE^B 84 -10.97 10.93 13.46 -11.78 11.12 12.90 -10.74 12.90 14.82 -11.79 13.43 14.45 -10.02 11.95 13.89 -9.42 12.68 12.69 3 0 10.18-999 ?-999 ?-999 ? NA NA B 135 mALA^B 85 -10.21 13.07 16.04 -9.37 12.55 16.19 -9.96 15.18 17.29 -8.75 15.04 17.55 -10.84 13.94 17.05 -11.01 13.18 18.35 2 0 11.04-999 ?-999 ?-999 ? OXTAACT B 134 mGLU^B 86 -10.54 16.36 17.15 -11.45 16.32 16.75 -10.43 17.95 18.92 -11.62 17.92 19.18 -9.92 17.61 17.54 -10.33 18.75 16.61 2 0 11.47-999 ?-999 ?-999 ? OXTAACT B 134 mGLY^B 87 -9.50 18.28 19.83 -8.56 18.32 19.50 -8.91 19.43 21.95 -8.01 20.03 21.36 -9.87 18.56 21.21-999.99-999.99-999.99 1 0 9.81-999 ?-999 ?-999 ? OXTAACT B 134 mMETB 88 -9.11 19.48 23.26 -9.82 18.85 23.58 -8.08 19.64 25.48 -9.02 19.17 26.14 -8.36 20.36 24.17 -9.19 21.61 24.46 2 0 9.55-999 ?-999 ?-999 ? OXTAACT B 134 mTYR^B 89 -6.81 19.59 25.89 -6.14 19.94 25.24 -6.43 20.19 28.19 -6.12 21.32 27.85 -6.45 19.05 27.18 -5.02 18.54 27.13 3 0 -7.66-999 ?-999 ?-999 ? OXTAACT B 134s mSER^B 90 -6.62 19.84 29.44 -6.95 18.91 29.56 -5.97 19.91 31.75 -6.22 18.71 31.81 -6.36 20.74 30.53 -7.61 21.57 30.87 2 0 10.32-999 ?-999 ?-999 ? OXTAACT B 134 mGLY^B 91 -5.35 20.57 32.71 -5.20 21.54 32.53 -4.00 20.78 34.73 -3.58 21.86 34.25 -4.95 19.91 33.94-999.99-999.99-999.99 1 0 11.53-999 ?-999 ?-999 ? OXTAACT B 134 mVAL^B 92 -3.68 20.30 35.94 -4.14 19.45 36.19 -1.59 20.01 37.08 -1.83 18.88 37.47 -2.73 20.98 36.81 -3.38 21.41 38.14 3 0 14.35-999 ?-999 ?-999 ? O AACT B 134 mTYR^B 93 -0.36 20.44 36.86 -0.30 21.37 36.51 1.08 19.60 38.64 1.30 20.67 39.21 0.79 19.57 37.14 2.04 20.03 36.36 3 0 14.06-999 ?-999 ?-999 ? O AACT B 134 mLYS~B 94 1.05 18.44 39.29 0.99 17.62 38.71 2.36 19.13 41.30 2.27 19.89 42.28 1.11 18.45 40.75 0.99 17.05 41.32 2 0 16.60-999 ?-999 ?-999 ? O AACT B 134 mASP~B 95 3.52 18.89 40.69 3.46 18.38 39.84 4.88 20.89 41.26 5.52 21.50 42.15 4.75 19.37 41.29 5.96 18.76 40.60 2 0 18.54-999 ?-999 ?-999 ? O AACT B 134 mTHR~B 96 4.29 21.53 40.26 3.78 20.94 39.64 3.17 23.74 40.52 3.19 24.96 40.71 4.41 22.99 40.13 4.73 23.38 38.69 2 0 19.38-999 ?-999 ?-999 ? O AACT B 134 mGLY~B 97 2.03 23.07 40.54 2.12 22.08 40.43 0.23 24.54 39.53 -0.79 25.20 39.65 0.76 23.75 40.71-999.99-999.99-999.99 1 0 19.35-999 ?-999 ?-999 ? O AACT B 134 mLYS~B 98 0.89 24.42 38.37 1.63 23.74 38.39 -0.50 24.53 36.36 -0.46 23.33 36.11 0.56 25.21 37.20 1.80 25.45 36.34 2 0 17.92-999 ?-999 ?-999 ? O AACT B 134 mSER^B 99 -1.46 25.33 35.93 -1.40 26.27 36.28 -2.03 25.00 33.59 -1.14 25.79 33.29 -2.50 24.88 35.03 -3.73 25.76 35.22 2 0 16.14-999 ?-999 ?-999 ? OXTAACT B 134 mPHE^B 100 -2.64 24.22 32.69 -3.23 23.51 33.07 -3.68 24.13 30.49 -4.56 23.43 30.97 -2.43 24.46 31.25 -1.27 23.58 30.70 3 0 13.93-999 ?-999 ?-999 ? OXTAACT B 134 mGLU^B 101 -3.68 24.58 29.24 -2.99 25.28 29.08 -3.78 23.87 26.95 -2.94 24.71 26.61 -4.62 24.10 28.20 -5.67 25.16 27.89 2 0 12.52-999 ?-999 ?-999 ? OXTAACT B 134 mALA^B 102 -4.04 22.78 26.23 -4.77 22.19 26.59 -4.18 21.77 24.04 -4.82 20.79 24.39 -3.28 22.48 25.02 -2.04 21.62 25.34 2 0 10.75-999 ?-999 ?-999 ? OXTAACT B 134 mGLU^B 103 -4.19 22.26 22.80 -3.62 23.07 22.68 -4.35 20.27 21.33 -3.14 20.06 21.45 -4.96 21.64 21.73 -4.99 22.60 20.52 2 0 10.63-999 ?-999 ?-999 ? OXTAACT B 134 mPHE^B 104 -5.20 19.32 20.92 -6.17 19.54 20.98 -5.58 17.60 19.25 -6.71 18.04 19.03 -4.76 18.07 20.41 -4.80 16.95 21.51 3 0 8.23-999 ?-999 ?-999 ? OXTAACT B 134 mVAL^B 105 -4.99 16.70 18.47 -4.00 16.68 18.59 -5.35 14.40 17.85 -4.18 14.08 18.06 -5.70 15.84 17.55 -5.36 16.11 16.04 3 0 9.03-999 ?-999 ?-999 ? O BACT B 134 mHIS^B 106 -6.36 13.54 17.92 -7.27 13.97 17.88 -6.62 11.41 16.79 -7.73 11.66 16.32 -6.14 12.09 18.04 -6.93 11.56 19.24 3 0 7.36-999 ?-999 ?-999 ? O BACT B 134 mVAL^B 107 -5.76 10.57 16.23 -4.87 10.52 16.69 -6.27 8.32 15.46 -5.32 7.68 15.95 -6.11 9.78 15.04 -5.04 9.92 13.94 3 0 10.05-999 ?-999 ?-999 ? O BACT B 134 mTRP^B 108 -7.49 7.81 15.31 -8.14 8.46 14.91 -8.11 5.61 14.44 -8.80 6.06 13.53 -7.85 6.46 15.68 -9.19 6.52 16.43 3 0 11.04-999 ?-999 ?-999 ? O BACT B 134 mGLN^B 109 -7.56 4.40 14.43 -7.00 4.21 15.23 -8.35 2.18 13.90 -7.84 1.70 14.90 -7.78 3.46 13.32 -6.50 3.18 12.59 2 0 9.77-999 ?-999 ?-999 ? NA NA B 135 mLEU^B 110 -9.38 1.66 13.23 -9.61 2.13 12.37 -10.11 -0.57 12.62 -10.00 -0.29 11.44 -10.10 0.51 13.70 -11.53 0.88 14.11 3 0 9.90-999 ?-999 ?-999 ? NA NA B 135 mGLU~B 111 -10.24 -1.80 13.09 -10.24 -1.83 14.09 -11.46 -3.81 12.85 -11.36 -4.19 14.01 -10.38 -2.98 12.22 -9.04 -3.72 12.06 2 0 11.37-999 ?-999 ?-999 ? NA NA B 135 mASN~B 112 -12.50 -4.06 12.08 -12.44 -3.69 11.15 -14.13 -4.32 13.94 -14.48 -5.08 14.84 -13.64 -4.84 12.58 -13.23 -6.31 12.68 2 0 12.35-999 ?-999 ?-999 ? NA NA B 135 mGLY~B 113 -14.15 -3.01 14.11 -13.79 -2.50 13.32 -13.70 -2.40 16.51 -14.07 -1.98 17.59 -14.63 -2.38 15.31-999.99-999.99-999.99 1 0 11.88-999 ?-999 ?-999 ? NA NA B 135 mLYS^B 114 -12.47 -2.89 16.35 -12.31 -3.29 15.45 -10.50 -1.76 17.08 -10.11 -1.58 15.90 -11.47 -2.85 17.42 -10.71 -4.18 17.50 2 0 14.13-999 ?-999 ?-999 ? NA NA B 135 mILE^B 115 -9.99 -1.07 18.12 -10.36 -1.34 19.01 -7.65 -0.69 17.78 -7.16 -1.35 18.69 -9.00 -0.02 17.95 -8.99 0.92 19.15 3 0 13.69-999 ?-999 ?-999 ? CH3AACT B 134 mVAL^B 116 -7.05 -0.50 16.61 -7.59 0.07 15.99 -4.60 -0.05 16.29 -3.45 -0.42 16.42 -5.72 -1.08 16.29 -5.75 -1.86 14.94 3 0 14.69-999 ?-999 ?-999 ? CH3AACT B 134 mLYS^B 117 -4.91 1.25 16.16 -5.88 1.42 16.01 -4.49 3.56 16.82 -5.66 3.90 16.55 -3.89 2.30 16.23 -3.30 2.63 14.84 2 0 11.91-999 ?-999 ?-999 ? O BACT B 134 mPHE^B 118 -3.64 4.23 17.60 -2.79 3.74 17.79 -2.67 6.38 17.97 -1.58 5.89 18.24 -3.92 5.54 18.12 -4.31 5.46 19.61 3 0 -8.34-999 ?-999 ?-999 ? O BACT B 134s mLYS^B 119 -2.84 7.63 17.55 -3.77 7.85 17.25 -2.21 9.95 18.08 -3.20 10.49 17.63 -1.75 8.59 17.55 -1.14 8.73 16.16 2 0 7.35-999 ?-999 ?-999 ? O BACT B 134 mGLN^B 120 -1.41 10.48 19.00 -0.66 9.87 19.27 -0.75 12.86 18.88 0.47 12.68 18.73 -1.58 11.80 19.57 -1.11 11.73 21.02 2 0 -5.14-999 ?-999 ?-999 ? O BACT B 134s mTYR^B 121 -1.39 13.96 18.54 -2.39 13.87 18.58 -1.14 16.23 19.20 -2.32 16.34 19.55 -0.73 15.20 18.15 -1.19 15.65 16.77 3 0 7.96-999 ?-999 ?-999 ? O BACT B 134 mVAL^B 122 -0.20 16.99 19.75 0.70 16.90 19.34 0.44 19.04 20.90 1.61 18.90 20.57 -0.51 17.86 20.87 -0.46 17.09 22.23 3 0 8.23-999 ?-999 ?-999 ? O BACT B 134 mASP~B 123 -0.07 20.21 21.31 -1.06 20.16 21.46 1.54 21.26 22.79 1.28 21.81 23.87 0.70 21.43 21.53 -0.24 22.60 21.58 2 0 11.40-999 ?-999 ?-999 ? O AACT B 134 mSER~B 124 2.60 20.47 22.61 2.79 20.22 21.66 4.18 21.10 24.45 4.50 20.93 25.64 3.40 20.01 23.74 4.35 18.92 23.23 2 0 10.58-999 ?-999 ?-999 ? O AACT B 134 mHIS~B 125 4.53 22.20 23.78 4.32 22.20 22.81 4.38 23.74 25.69 4.93 23.98 26.75 5.18 23.29 24.50 5.40 24.45 23.55 3 0 14.12-999 ?-999 ?-999 ? O AACT B 134 mLEU~B 126 3.06 23.79 25.55 2.70 23.48 24.67 2.17 23.31 27.79 2.07 23.70 28.97 2.25 24.28 26.63 0.86 24.68 26.15 3 0 13.64-999 ?-999 ?-999 ? O AACT B 134 mVAL~B 127 2.18 22.01 27.46 2.14 21.85 26.47 3.57 21.06 29.27 3.60 21.08 30.52 2.24 20.95 28.50 2.08 19.57 27.84 3 0 10.82-999 ?-999 ?-999 ? O AACT B 134 mARG~B 128 4.67 21.21 28.53 4.50 21.26 27.55 6.17 22.55 29.94 6.83 22.50 31.00 5.99 21.30 29.13 7.04 21.21 28.02 2 0 13.25-999 ?-999 ?-999 ? O AACT B 134 mGLU~B 129 5.56 23.66 29.53 5.05 23.59 28.68 5.01 24.70 31.70 5.52 25.27 32.70 5.65 24.87 30.31 4.99 26.02 29.58 2 0 16.18-999 ?-999 ?-999 ? O AACT B 134 mALA~B 130 3.95 23.90 31.79 3.66 23.50 30.92 4.16 22.80 34.00 3.97 22.81 35.21 3.30 23.65 33.08 1.96 22.97 32.89 2 0 15.15-999 ?-999 ?-999 ? O AACT B 134 mMETB 131 5.10 22.07 33.45 5.13 22.18 32.45 7.27 21.90 34.68 8.03 21.27 35.40 5.99 21.21 34.18 6.36 20.00 33.31 2 0 15.17-999 ?-999 ?-999 ? O AACT B 134 mLYS~B 132 7.46 23.16 34.30 6.67 23.53 33.81 8.42 24.67 35.83 7.42 25.36 35.93 8.69 23.94 34.56 8.87 25.04 33.48 2 0 18.69-999 ?-999 ?-999 ? O AACT B 134 mSER~B 133 9.33 24.54 36.79 10.11 23.97 36.55 9.35 26.70 37.95 9.93 27.17 36.96 9.17 25.20 38.08 10.20 24.64 39.06 2 0 21.56-999 ?-999 ?-999 ? O AACT B 134