HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-SEP-08 3EN8 COMPND UNCHARACTERIZED NTF-2 LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS LB400; SOURCE 3 ORGANISM_TAXID: 266265; SOURCE 4 GENE: YP_553245.1, BXENO_B0927, BXE_B2092; 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 48 16 HET MSE A 95 8 HET CA A 128 1 HET ACT A 129 8 HET PEG A 130 7 HET PG4 A 131 26 SITE 1 AC1 5 ASP A 30 ASP A 31 ASP A 32 HOH A 178 SITE 1 AC2 5 ILE A 34 VAL A 103 HOH A 155 HOH A 226 SITE 1 AC3 3 LEU A 53 HIS A 56 TRP A 122 SITE 1 AC4 6 ALA A 89 PHE A 109 ASP A 111 PHE A 113 mGLY.A 0 9.43 -13.93 23.11 8.78 -14.00 23.86 11.02 -12.45 21.99 10.97 -11.73 22.99 10.41 -13.83 21.99-999.99-999.99-999.99 1 0 24.38-999 ?-999 ?-999 ? O AACT A 129 mMETA 1 11.52 -12.06 20.83 11.35 -12.68 20.07 11.47 -9.67 20.06 12.00 -8.60 19.86 12.25 -10.81 20.72 13.55 -11.10 19.96 2 0 23.00-999 ?-999 ?-999 ? O AACT A 129 mARG.A 2 10.22 -9.91 19.70 9.81 -10.71 20.15 9.43 -7.61 19.17 9.82 -6.68 18.45 9.53 -9.06 18.73 8.11 -9.59 18.46 2 0 19.22-999 ?-999 ?-999 ? O AACT A 129 mGLU.A 3 8.90 -7.43 20.36 8.60 -8.28 20.80 10.13 -5.40 21.15 10.30 -4.20 20.94 8.78 -6.08 20.94 8.02 -6.12 22.27 2 0 18.53-999 ?-999 ?-999 ? O AACT A 129 mGLU.A 4 11.09 -6.17 21.63 10.79 -7.11 21.80 13.15 -5.21 20.59 13.93 -4.22 20.56 12.45 -5.64 21.88 13.31 -6.60 22.69 2 0 21.41-999 ?-999 ?-999 ? O AACT A 129 mLYS.A 5 12.83 -5.94 19.53 12.26 -6.73 19.75 12.69 -4.29 17.65 13.39 -3.44 17.06 13.30 -5.59 18.16 13.10 -6.75 17.18 2 0 20.06-999 ?-999 ?-999 ? O AACT A 129 mILE.A 6 11.40 -4.09 17.91 10.93 -4.87 18.33 11.42 -1.71 18.44 11.81 -0.65 17.94 10.76 -2.81 17.60 9.19 -2.84 17.73 3 0 16.81-999 ?-999 ?-999 ? O AACT A 129 mARG.A 7 11.58 -1.98 19.73 11.27 -2.88 20.01 13.59 -0.58 20.16 13.94 0.58 20.15 12.17 -0.97 20.62 12.13 -1.43 22.09 2 0 19.24-999 ?-999 ?-999 ? O AACT A 129 mGLU.A 8 14.38 -1.56 19.75 13.99 -2.47 19.88 15.61 -0.35 17.95 16.37 0.63 17.84 15.70 -1.30 19.15 16.38 -2.60 18.71 2 0 21.42-999 ?-999 ?-999 ? O AACT A 129 mALA.A 9 14.63 -0.62 17.09 14.08 -1.41 17.35 13.99 1.60 16.28 14.41 2.61 15.67 14.39 0.19 15.87 13.28 -0.47 15.02 2 0 18.54-999 ?-999 ?-999 ? CH3AACT A 129 mLEU.A 10 13.16 1.68 17.31 12.90 0.80 17.70 13.81 3.83 18.42 13.89 5.04 18.18 12.70 2.99 17.82 11.61 2.86 18.84 3 0 17.94-999 ?-999 ?-999 ? O AACT A 129 mASN.A 11 14.67 3.18 19.20 14.45 2.22 19.35 16.69 4.49 18.67 17.19 5.62 18.77 15.84 3.87 19.79 16.69 2.90 20.62 2 0 20.00-999 ?-999 ?-999 ? O5 APG4 A 131 mALA.A 12 16.83 3.74 17.59 16.31 2.88 17.63 17.01 5.30 15.68 17.66 6.28 15.23 17.68 4.17 16.45 18.01 2.97 15.54 2 0 19.81-999 ?-999 ?-999 ? O5 APG4 A 131 mHIS.A 13 15.71 5.16 15.58 15.38 4.30 15.97 15.03 7.51 15.63 15.17 8.55 14.98 14.84 6.18 14.96 13.36 5.79 15.06 3 0 16.31-999 ?-999 ?-999 ? O5 APG4 A 131 mTRP.A 14 15.01 7.48 16.96 14.98 6.57 17.38 16.45 9.31 17.73 16.64 10.52 17.72 15.04 8.74 17.70 14.51 8.59 19.14 3 0 15.11-999 ?-999 ?-999 ? O5 APG4 A 131 mGLN.A 15 17.43 8.42 17.74 17.13 7.47 17.83 19.05 9.57 16.33 19.78 10.57 16.24 18.82 8.85 17.64 19.79 7.66 17.74 2 0 17.53-999 ?-999 ?-999 ? O5 APG4 A 131 mALA.A 16 18.43 9.02 15.31 17.90 8.21 15.55 17.92 10.95 13.89 18.46 11.91 13.27 18.55 9.58 13.95 17.95 8.67 12.91 2 0 16.14-999 ?-999 ?-999 ? O5 APG4 A 131 mSER.A 17 16.79 11.08 14.58 16.48 10.24 15.03 16.98 13.41 15.28 17.20 14.51 14.76 16.08 12.38 14.64 14.78 12.29 15.44 2 0 12.60-999 ?-999 ?-999 ? O5 APG4 A 131 mALA.A 18 17.51 13.05 16.44 17.29 12.11 16.71 19.56 14.43 16.37 19.98 15.58 16.43 18.34 13.99 17.20 18.79 13.39 18.52 2 0 14.35-999 ?-999 ?-999 ? O5 APG4 A 131 mALA.A 19 20.05 13.50 15.56 19.48 12.68 15.52 21.07 14.36 13.49 21.99 14.89 12.85 21.31 13.65 14.81 21.95 12.30 14.57 2 0 16.57-999 ?-999 ?-999 ? O5 APG4 A 131 mGLY.A 20 19.80 14.40 13.10 19.16 13.96 13.74 19.76 14.18 10.65 19.96 14.65 9.53 19.40 15.03 11.84-999.99-999.99-999.99 1 0 14.14-999 ?-999 ?-999 ? O5 APG4 A 131 mASP~A 21 19.90 12.89 10.93 19.83 12.70 11.91 18.77 11.44 9.30 18.17 10.46 9.70 20.11 11.86 9.90 20.85 10.65 10.47 2 0 16.29-999 ?-999 ?-999 ? O5 APG4 A 131 mPHE~A 22 18.33 12.19 8.29 19.02 12.80 7.91 16.70 10.75 7.14 15.60 10.22 7.17 16.94 12.08 7.82 16.57 13.23 6.88 3 0 13.38-999 ?-999 ?-999 ? C3 PEG A 130 mASP~A 23 17.77 10.19 6.59 18.61 10.72 6.66 17.39 7.84 7.02 16.45 7.05 6.94 17.66 8.88 5.94 18.94 8.49 5.17 2 0 14.57-999 ?-999 ?-999 ? C4 PEG A 130 mALA~A 24 18.22 7.87 8.04 18.89 8.61 8.00 16.80 7.05 9.84 16.17 6.08 10.26 18.13 6.89 9.12 19.31 7.02 10.11 2 0 17.67-999 ?-999 ?-999 ? O4 PEG A 130 mGLU~A 25 16.38 8.30 9.92 16.97 8.96 9.46 13.94 8.07 9.95 12.89 7.93 10.57 15.16 8.66 10.63 15.01 10.17 10.75 2 0 14.42-999 ?-999 ?-999 ? O5 APG4 A 131 mHIS~A 26 14.06 7.73 8.67 14.99 7.80 8.28 12.94 5.84 7.51 12.07 5.33 6.84 12.88 7.28 7.93 12.53 8.26 6.81 3 0 14.02-999 ?-999 ?-999 ? O4 PEG A 130 mASP.A 27 13.98 5.15 7.97 14.61 5.67 8.54 13.09 2.86 8.31 12.81 1.74 7.88 14.14 3.74 7.61 15.56 3.24 7.93 2 0 14.45-999 ?-999 ?-999 ? CA CA A 128 mILE.A 28 12.49 3.39 9.38 12.77 4.33 9.56 10.13 2.53 9.55 9.30 1.73 9.96 11.52 2.63 10.19 11.39 3.19 11.65 3 0 13.59-999 ?-999 ?-999 ? CH3AACT A 129 mTYR^A 29 9.89 3.34 8.52 10.69 3.84 8.20 8.27 2.50 6.80 9.13 2.26 5.95 8.52 3.44 7.94 8.16 4.86 7.44 3 0 10.27-999 ?-999 ?-999 ? CH3AACT A 129 mASP^A 30 7.07 1.97 6.75 6.56 1.99 7.61 6.61 2.51 4.43 6.43 3.67 4.72 6.58 1.42 5.49 5.15 0.93 5.63 2 0 -7.97-999 ?-999 ?-999 ? CA CA A 128s mASP^A 31 6.74 2.09 3.18 6.82 1.10 3.07 5.50 3.92 2.02 5.56 5.11 1.69 6.75 3.05 2.07 6.98 2.36 0.72 2 0 -5.47-999 ?-999 ?-999 ? CA CA A 128s mASP^A 32 4.38 3.32 2.38 4.50 2.37 2.68 2.62 4.49 3.69 1.44 4.76 3.90 3.09 3.99 2.32 2.03 3.07 1.72 2 0 -5.23-999 ?-999 ?-999 ? CA CA A 128s mALA^A 33 3.56 4.61 4.61 4.47 4.32 4.30 2.55 6.46 5.82 2.84 7.29 4.96 3.28 5.13 5.93 4.59 5.36 6.76 2 0 5.60-999 ?-999 ?-999 ? CH3AACT A 129 mILE^A 34 1.61 6.64 6.74 1.44 5.81 7.27 1.30 8.54 8.28 1.55 7.84 9.26 0.92 7.93 6.94 -0.63 7.81 6.78 3 0 -5.72-999 ?-999 ?-999 ? CH3AACT A 129s mCYH^A 35 1.38 9.86 8.27 1.20 10.28 7.38 0.67 11.76 9.60 0.55 12.60 8.72 1.68 10.64 9.46 3.09 11.20 9.43 2 0 8.71-999 ?-999 ?-999 ? OXTBACT A 129 mASP^A 36 -0.03 11.73 10.72 0.27 10.99 11.32 -0.72 13.66 12.14 -0.09 13.29 13.15 -1.12 12.68 11.05 -2.33 11.92 11.57 2 0 9.38-999 ?-999 ?-999 ? C8 APG4 A 131 mTYR.A 37 -1.11 14.91 11.94 -1.44 15.08 11.01 -2.51 16.34 13.28 -3.07 17.24 12.63 -1.07 15.94 12.94 -0.32 17.19 12.44 3 0 6.95-999 ?-999 ?-999 ? C8 APG4 A 131 mPRO.A 38 -3.10 15.71 14.31 -2.54 15.08 14.85 -4.76 17.46 14.92 -5.84 17.98 14.71 -4.52 16.01 14.56 -4.89 15.03 15.69 3 0 10.12-999 ?-999 ?-999 ? C8 APG4 A 131 mGLN.A 39 -3.74 18.14 15.41 -2.88 17.63 15.43 -4.26 20.44 14.73 -4.90 21.51 14.89 -3.92 19.52 15.89 -2.67 20.06 16.59 2 0 7.92-999 ?-999 ?-999 ? O3 APG4 A 131 mSER.A 40 -3.81 20.04 13.55 -3.33 19.16 13.58 -4.86 20.14 11.25 -5.23 20.76 10.26 -4.00 20.83 12.31 -2.64 21.19 11.71 2 0 7.71-999 ?-999 ?-999 ? C8 BPG4 A 131 mGLY.A 41 -5.17 18.88 11.47 -4.79 18.51 12.32 -5.20 17.60 9.35 -5.78 17.12 8.36 -5.99 18.09 10.55-999.99-999.99-999.99 1 0 10.88-999 ?-999 ?-999 ? C7 APG4 A 131 mGLU.A 42 -3.88 17.71 9.44 -3.56 18.04 10.33 -2.64 15.89 8.34 -2.39 15.31 9.41 -3.01 17.36 8.31 -1.72 18.17 8.31 2 0 9.25-999 ?-999 ?-999 ? C7 APG4 A 131 mARG^A 43 -2.65 15.31 7.15 -3.04 15.88 6.42 -1.06 13.94 5.83 -1.25 14.46 4.74 -2.13 13.98 6.93 -3.28 13.03 6.65 2 0 10.39-999 ?-999 ?-999 ? OXTBACT A 129 mILE^A 44 0.06 13.30 6.13 0.09 12.95 7.07 1.15 11.71 4.70 1.11 10.81 5.52 1.15 13.14 5.16 2.52 13.52 5.78 3 0 9.31-999 ?-999 ?-999 ? O4 PEG A 130 mLEU^A 45 1.17 11.51 3.38 1.22 12.34 2.83 2.45 9.79 2.16 2.90 10.43 1.22 1.12 10.16 2.81 -0.03 10.07 1.79 3 0 8.92-999 ?-999 ?-999 ? CH3AACT A 129 mGLY~A 46 3.06 8.74 2.68 2.58 8.35 3.47 5.58 8.61 2.84 5.78 9.76 3.23 4.31 8.21 2.16-999.99-999.99-999.99 1 0 8.36-999 ?-999 ?-999 ? CA CA A 128 mARG~A 47 6.43 7.61 2.98 6.07 6.75 2.64 8.57 8.90 2.92 9.16 9.72 3.63 7.77 7.76 3.55 8.55 6.43 3.39 2 0 9.66-999 ?-999 ?-999 ? CA CA A 128 mMETA 48 8.58 8.97 1.59 7.97 8.32 1.13 8.90 11.34 1.08 9.68 12.28 1.18 9.43 9.93 0.90 9.55 9.57 -0.59 2 0 7.35-999 ?-999 ?-999 ? O4 PEG A 130 mASN~A 49 7.58 11.48 1.13 7.06 10.63 1.01 7.27 13.25 2.78 7.61 14.40 3.03 6.98 12.82 1.36 5.46 12.86 1.08 2 0 4.51-999 ?-999 ?-999 ? O4 PEG A 130 mLEU~A 50 7.16 12.29 3.70 6.93 11.39 3.33 8.79 13.05 5.38 9.03 14.04 6.05 7.36 12.56 5.13 7.06 11.31 5.98 3 0 7.25-999 ?-999 ?-999 ? O4 PEG A 130 mGLN~A 51 9.73 12.36 4.75 9.38 11.63 4.16 11.49 14.04 4.34 12.25 14.82 4.94 11.15 12.68 4.93 12.04 11.62 4.31 2 0 7.99-999 ?-999 ?-999 ? O4 PEG A 130 mALA~A 52 10.94 14.31 3.17 10.31 13.61 2.84 10.70 16.72 3.20 11.34 17.77 3.36 11.26 15.54 2.44 10.71 15.51 1.00 2 0 4.97-999 ?-999 ?-999 ? C3 PEG A 130 mLEU~A 53 9.50 16.52 3.73 9.13 15.60 3.60 9.57 17.91 5.73 9.85 19.07 6.04 8.82 17.61 4.44 7.34 17.28 4.71 3 0 -4.71-999 ?-999 ?-999 ? C3 PEG A 130s mARG~A 54 9.97 16.86 6.44 9.75 15.97 6.04 12.04 17.68 7.52 12.51 18.50 8.32 10.66 17.05 7.73 10.81 15.74 8.51 2 0 7.11-999 ?-999 ?-999 ? O5 APG4 A 131 mSER~A 55 12.65 17.31 6.41 12.08 16.76 5.80 14.10 19.15 5.76 15.13 19.84 5.90 14.05 17.69 6.12 14.63 16.87 4.97 2 0 8.26-999 ?-999 ?-999 ? O2 PEG A 130 mHIS~A 56 12.97 19.60 5.27 12.23 18.93 5.32 12.59 21.91 5.84 13.23 22.96 5.97 12.81 20.94 4.71 11.60 20.99 3.78 3 0 -5.77-999 ?-999 ?-999 ? C2 PEG A 130s mHIS~A 57 11.60 21.55 6.63 11.14 20.71 6.34 10.40 21.50 8.80 9.40 20.90 8.40 11.24 22.31 7.82 10.49 23.58 7.42 3 0 7.41-999 ?-999 ?-999 ? O5 APG4 A 131 mPRO.A 58 10.76 21.53 10.10 10.27 20.85 10.65 13.19 21.97 10.63 14.11 22.65 11.07 11.74 22.45 10.70 11.30 22.51 12.17 3 0 6.54-999 ?-999 ?-999 ? O5 APG4 A 131 mGLY.A 59 13.39 20.81 10.02 12.56 20.41 9.64 15.19 19.71 11.30 14.40 19.50 12.20 14.73 20.22 9.95-999.99-999.99-999.99 1 0 9.03-999 ?-999 ?-999 ? O5 APG4 A 131 mLYS.A 60 16.50 19.53 11.43 17.03 19.82 10.63 16.80 19.82 13.89 17.04 21.03 13.90 17.09 18.97 12.65 18.60 18.82 12.48 2 0 11.04-999 ?-999 ?-999 ? O5 APG4 A 131 mPRO.A 61 16.31 19.20 14.97 16.12 18.22 14.87 17.39 20.44 16.88 18.39 19.74 16.83 16.08 19.98 16.19 15.32 19.00 17.07 3 0 10.69-999 ?-999 ?-999 ? O5 APG4 A 131 mALA.A 62 17.37 21.63 17.46 16.51 22.13 17.35 18.75 21.36 19.49 19.84 21.33 20.08 18.55 22.15 18.20 18.40 23.68 18.50 2 0 12.53-999 ?-999 ?-999 ? O1 BPG4 A 131 mGLY^A 63 17.67 20.73 19.93 16.88 20.83 19.32 16.59 18.87 21.08 15.52 19.07 20.55 17.61 19.99 21.19-999.99-999.99-999.99 1 0 12.07-999 ?-999 ?-999 ? O1 BPG4 A 131 mPHE^A 64 16.95 17.71 21.61 17.84 17.79 22.07 16.44 15.56 22.71 17.62 15.33 23.06 16.14 16.45 21.53 16.44 15.69 20.23 3 0 12.53-999 ?-999 ?-999 ? O1 BPG4 A 131 mGLU^A 65 15.37 15.05 23.33 14.50 15.37 22.97 14.29 13.22 24.56 13.16 13.69 24.56 15.52 14.11 24.44 15.75 14.89 25.73 2 0 14.26-999 ?-999 ?-999 ? O1 BPG4 A 131 mVAL^A 66 14.53 11.92 24.63 15.50 11.67 24.53 13.07 10.97 26.33 13.96 10.90 27.21 13.42 10.98 24.85 13.73 9.56 24.37 3 0 15.65-999 ?-999 ?-999 ? O1 BPG4 A 131 mARG^A 67 11.77 11.05 26.60 11.20 11.17 25.79 10.92 9.53 28.37 11.32 8.96 29.40 11.25 10.97 27.98 9.98 11.82 28.13 2 0 16.08-999 ?-999 ?-999 ? O1 APG4 A 131 mARG^A 68 10.17 8.93 27.51 9.97 9.50 26.71 9.19 6.89 26.46 8.53 7.52 25.64 9.69 7.55 27.73 8.54 7.54 28.74 2 0 18.53-999 ?-999 ?-999 ? O1 BPG4 A 131 mILE^A 69 9.48 5.59 26.34 10.11 5.24 27.03 8.19 3.58 25.88 8.72 2.88 26.71 8.91 4.77 25.26 9.99 4.24 24.27 3 0 19.88-999 ?-999 ?-999 ? O5 APG4 A 131 mGLN^A 70 6.94 3.45 25.49 6.64 4.20 24.90 5.58 1.61 24.66 5.37 2.22 23.62 6.08 2.31 25.89 4.85 2.78 26.68 2 0 19.14-999 ?-999 ?-999 ? O AACT A 129 mGLY^A 71 5.40 0.30 24.77 5.63 -0.11 25.65 4.43 -1.79 24.04 4.94 -2.41 24.98 4.89 -0.42 23.65-999.99-999.99-999.99 1 0 16.76-999 ?-999 ?-999 ? O AACT A 129 mGLU^A 72 3.43 -2.20 23.33 3.07 -1.48 22.74 2.51 -4.03 22.02 1.81 -3.35 21.32 2.91 -3.58 23.41 1.72 -3.63 24.37 2 0 16.50-999 ?-999 ?-999 ? O AACT A 129 mGLY.A 73 2.99 -5.20 21.61 3.56 -5.67 22.28 3.08 -4.72 19.20 4.28 -4.37 19.06 2.68 -5.70 20.28-999.99-999.99-999.99 1 0 14.73-999 ?-999 ?-999 ? O AACT A 129 mASN.A 74 2.08 -4.22 18.46 1.15 -4.48 18.75 2.02 -1.90 17.64 2.13 -1.05 16.78 2.36 -3.36 17.32 1.61 -3.81 16.07 2 0 11.18-999 ?-999 ?-999 ? O AACT A 129 mLEU^A 75 1.69 -1.63 18.90 1.69 -2.43 19.50 2.46 0.33 20.19 2.79 -0.20 21.26 1.36 -0.26 19.34 0.05 -0.25 20.12 3 0 11.41-999 ?-999 ?-999 ? O AACT A 129 mTRP^A 76 2.95 1.49 19.75 2.46 1.87 18.96 3.85 3.63 20.58 3.22 4.31 19.78 4.11 2.14 20.36 5.36 1.87 19.52 3 0 13.35-999 ?-999 ?-999 ? O AACT A 129 mILE^A 77 4.36 4.10 21.70 4.86 3.43 22.23 5.47 6.03 22.66 6.04 5.47 23.59 4.18 5.49 22.09 3.10 5.61 23.17 3 0 15.31-999 ?-999 ?-999 ? O AACT A 129 mTHR^A 78 5.90 7.13 22.07 5.32 7.44 21.32 6.76 9.20 22.92 6.09 9.96 22.20 7.13 7.80 22.48 8.22 7.85 21.37 2 0 15.60-999 ?-999 ?-999 ? O5 APG4 A 131 mGLU^A 79 7.20 9.50 24.13 7.60 8.72 24.61 8.49 11.41 24.68 9.46 10.80 25.13 7.11 10.82 24.71 6.62 10.74 26.17 2 0 13.87-999 ?-999 ?-999 ? C2 APG4 A 131 mTYR^A 80 8.60 12.60 24.14 7.72 13.02 23.91 9.81 14.65 23.82 8.74 15.15 23.63 9.94 13.19 23.93 10.66 12.61 22.71 3 0 12.12-999 ?-999 ?-999 ? O1 BPG4 A 131 mSER^A 81 10.94 15.33 23.97 11.73 14.75 24.18 11.89 17.14 22.61 12.92 16.50 22.31 11.02 16.79 23.82 11.59 17.43 25.10 2 0 9.45-999 ?-999 ?-999 ? O1 BPG4 A 131 mILE^A 82 11.41 18.13 21.88 10.49 18.41 22.13 12.26 20.24 21.03 11.34 20.83 21.59 12.18 18.73 20.79 11.52 18.44 19.43 3 0 7.97-999 ?-999 ?-999 ? O1 BPG4 A 131 mSER^A 83 13.33 20.88 20.63 14.04 20.33 20.18 14.16 23.02 19.75 15.11 22.50 19.19 13.41 22.30 20.86 14.06 22.56 22.23 2 0 7.35-999 ?-999 ?-999 ? O1 BPG4 A 131 mTYR^A 84 13.64 24.21 19.46 12.81 24.39 19.99 14.07 26.54 19.13 13.05 26.89 19.71 14.17 25.16 18.50 13.36 25.17 17.19 3 0 8.09-999 ?-999 ?-999 ? O1 BPG4 A 131 mASN.A 85 15.14 27.30 19.05 15.94 26.84 18.66 14.84 28.84 20.97 14.33 29.86 21.40 15.14 28.67 19.49 14.13 29.47 18.68 2 0 9.96-999 ?-999 ?-999 ? O1 BPG4 A 131 mGLY.A 86 15.18 27.82 21.74 15.61 27.06 21.25 13.46 27.66 23.51 13.01 28.03 24.60 14.94 27.85 23.18-999.99-999.99-999.99 1 0 9.90-999 ?-999 ?-999 ? O1 BPG4 A 131 mARG^A 87 12.71 27.13 22.56 13.20 26.91 21.72 10.95 25.40 22.63 10.89 24.86 21.53 11.27 26.88 22.78 10.37 27.68 21.83 2 0 6.25-999 ?-999 ?-999 ? O1 APG4 A 131 mPRO^A 88 10.76 24.73 23.74 10.75 25.26 24.59 9.13 22.90 23.41 8.16 23.65 23.71 10.57 23.29 23.64 11.05 22.81 25.01 3 0 5.56-999 ?-999 ?-999 ? O1 APG4 A 131 mALA^A 89 9.01 21.74 22.82 9.87 21.35 22.51 7.74 19.72 23.27 8.62 18.91 22.99 7.71 21.10 22.65 7.35 21.02 21.21 2 0 -4.14-999 ?-999 ?-999 ? O1 APG4 A 131s mTYR^A 90 6.78 19.51 24.15 6.29 20.34 24.40 5.68 17.44 23.62 4.52 17.78 23.31 6.47 18.18 24.69 5.65 18.29 26.00 3 0 7.35-999 ?-999 ?-999 ? C1 APG4 A 131 mTHR^A 91 6.34 16.43 23.07 7.18 16.18 23.56 5.51 14.28 22.21 6.02 13.64 23.12 5.89 15.73 21.89 6.95 15.85 20.75 2 0 8.16-999 ?-999 ?-999 ? C2 APG4 A 131 mVAL^A 92 4.51 13.85 21.50 4.13 14.57 20.91 3.93 11.91 20.16 3.35 12.51 19.28 4.02 12.46 21.56 2.63 12.35 22.24 3 0 11.05-999 ?-999 ?-999 ? C2 APG4 A 131 mSER^A 93 4.57 10.77 19.96 5.12 10.44 20.72 3.85 8.68 18.98 4.48 7.84 19.66 4.45 10.08 18.72 5.83 9.92 18.05 2 0 11.38-999 ?-999 ?-999 ? C8 APG4 A 131 mILE^A 94 2.69 8.48 18.40 2.38 9.27 17.88 2.20 6.45 17.22 1.85 6.95 16.14 1.95 7.22 18.50 0.42 7.45 18.68 3 0 11.92-999 ?-999 ?-999 ? O AACT A 129 mMETA 95 2.82 5.28 17.31 3.02 4.97 18.24 2.50 3.16 16.06 2.54 2.40 17.01 3.15 4.52 16.09 4.66 4.36 15.90 2 0 9.68-999 ?-999 ?-999 ? O AACT A 129 mGLU^A 96 1.93 2.88 14.90 1.92 3.66 14.27 2.25 0.85 13.58 2.53 1.37 12.48 1.38 1.54 14.60 -0.01 1.69 14.06 2 0 7.06-999 ?-999 ?-999 ? O AACT A 129 mPHE^A 97 2.66 -0.35 13.97 2.28 -0.61 14.86 2.80 -2.38 12.57 1.78 -2.90 13.06 3.54 -1.22 13.24 4.64 -1.83 14.17 3 0 8.31-999 ?-999 ?-999 ? O AACT A 129 mARG^A 98 3.34 -2.74 11.44 4.00 -2.08 11.09 4.22 -4.56 10.08 4.92 -3.88 9.34 2.99 -4.00 10.76 1.89 -3.80 9.73 2 0 8.42-999 ?-999 ?-999 ? O BACT A 129 mASN.A 99 4.47 -5.81 10.39 3.80 -6.23 11.00 6.89 -5.70 10.08 7.79 -5.64 9.24 5.63 -6.51 9.87 5.43 -6.82 8.41 2 0 11.82-999 ?-999 ?-999 ? O BACT A 129 mGLY.A 100 6.95 -5.06 11.23 6.08 -5.03 11.73 8.40 -3.07 11.19 9.46 -2.47 11.41 8.16 -4.46 11.72-999.99-999.99-999.99 1 0 12.93-999 ?-999 ?-999 ? O BACT A 129 mLYS^A 101 7.40 -2.53 10.53 6.59 -3.12 10.46 6.31 -0.32 10.38 5.23 -0.79 10.59 7.51 -1.19 9.98 7.67 -1.26 8.45 2 0 10.47-999 ?-999 ?-999 ? CH3AACT A 129 mVAL^A 102 6.56 0.95 10.51 7.52 1.19 10.32 4.57 2.14 9.73 5.00 2.52 8.64 5.51 1.92 10.89 6.13 3.24 11.38 3 0 8.22-999 ?-999 ?-999 ? CH3AACT A 129 mVAL^A 103 3.27 1.91 9.94 3.02 1.57 10.84 1.52 3.44 9.10 0.93 4.02 8.17 2.33 2.18 8.85 1.40 0.98 8.58 3 0 -4.46-999 ?-999 ?-999 ? CH3AACT A 129s mHIS^A 104 1.43 3.81 10.37 1.92 3.21 10.99 1.32 5.64 12.05 1.50 4.99 13.07 0.69 5.01 10.79 -0.79 4.65 11.02 3 0 4.93-999 ?-999 ?-999 ? CH3AACT A 129 mGLU^A 105 1.70 6.89 11.91 1.60 7.24 10.98 1.26 8.80 13.25 0.76 9.36 12.29 2.22 7.67 13.03 3.60 8.23 12.69 2 0 8.57-999 ?-999 ?-999 ? C AACT A 129 mTHR^A 106 0.99 9.12 14.51 1.36 8.46 15.17 1.08 11.10 15.87 1.49 10.57 16.92 0.24 10.33 14.88 -1.07 9.95 15.56 2 0 10.32-999 ?-999 ?-999 ? OXTAACT A 129 mGLN^A 107 1.31 12.36 15.56 0.90 12.65 14.70 1.30 14.41 16.98 0.48 15.03 16.31 2.09 13.22 16.41 3.32 13.74 15.67 2 0 7.94-999 ?-999 ?-999 ? C8 APG4 A 131 mTYR^A 108 1.60 14.69 18.24 2.18 13.99 18.66 2.32 16.66 19.52 3.26 16.10 20.06 1.13 15.87 18.95 0.28 15.44 20.13 3 0 7.86-999 ?-999 ?-999 ? C4 APG4 A 131 mPHE^A 109 2.18 17.96 19.47 1.28 18.23 19.13 2.62 19.88 20.83 1.77 20.67 20.46 3.22 18.90 19.86 3.76 19.65 18.63 3 0 -4.52-999 ?-999 ?-999 ? C2 APG4 A 131s mSER^A 110 3.01 19.75 22.09 3.76 19.10 22.22 3.37 21.43 23.86 4.58 21.21 23.88 2.38 20.49 23.17 1.69 19.52 24.15 2 0 4.87-999 ?-999 ?-999 ? C2 APG4 A 131 mASP.A 111 2.81 22.51 24.40 1.82 22.58 24.25 3.73 23.13 26.63 2.84 22.48 27.20 3.60 23.49 25.15 2.96 24.88 25.07 2 0 -4.63-999 ?-999 ?-999 ? C1 APG4 A 131s mPRO.A 112 4.85 23.54 27.26 5.60 23.84 26.68 3.78 24.38 29.26 3.35 25.35 28.59 4.89 23.52 28.72 6.24 24.20 29.04 3 0 8.04-999 ?-999 ?-999 ? C1 APG4 A 131 mPHE.A 113 3.35 24.05 30.47 3.62 23.13 30.76 2.96 24.91 32.73 3.53 23.93 33.19 2.55 24.97 31.28 1.02 24.78 31.09 3 0 -10.84-999 ?-999 ?-999 ? C1 APG4 A 131s mGLU.A 114 2.73 26.01 33.42 2.28 26.73 32.89 2.17 25.35 35.73 0.96 25.44 35.60 3.12 26.13 34.83 3.18 27.60 35.25 2 0 -14.36-999 ?-999 ?-999 ? C1 APG4 A 131s mALA.A 115 2.76 24.58 36.65 3.75 24.57 36.60 1.16 24.84 38.44 1.77 25.72 39.08 1.95 23.84 37.62 2.83 22.98 38.51 2 0 17.15-999 ?-999 ?-999 ? C1 APG4 A 131 mPRO~A 116 -0.17 24.74 38.45 -0.56 23.94 37.99 -0.86 25.70 40.61 -0.76 24.62 41.18 -0.95 25.79 39.11 -2.39 25.55 38.63 3 0 19.34-999 ?-999 ?-999 ? C1 APG4 A 131 mGLY~A 117 -0.84 26.87 41.24 -0.98 27.66 40.64 -1.70 26.25 43.46 -1.41 25.63 44.48 -0.63 26.97 42.67-999.99-999.99-999.99 1 0 22.80-999 ?-999 ?-999 ? C1 APG4 A 131 mTRP~A 118 -2.92 26.31 42.96 -2.97 26.67 42.03 -3.98 24.40 44.16 -4.44 24.03 45.25 -4.07 25.85 43.75 -5.41 26.12 43.03 3 0 24.73-999 ?-999 ?-999 ? C1 APG4 A 131 mARG~A 119 -3.37 23.59 43.31 -2.97 24.06 42.52 -1.93 21.67 43.99 -1.65 20.50 44.11 -3.31 22.14 43.54 -3.79 21.34 42.32 2 0 -24.29-999 ?-999 ?-999 ? C1 APG4 A 131s mSER~A 120 -1.08 22.64 44.31 -1.48 23.55 44.27 0.39 21.37 45.85 1.27 20.49 45.89 0.31 22.35 44.69 1.05 23.65 45.06 2 0 24.45-999 ?-999 ?-999 ? C1 APG4 A 131 mGLN~A 121 -0.55 21.52 46.77 -1.27 22.16 46.52 -0.84 19.34 47.78 -0.67 18.47 48.64 -0.50 20.78 48.05 -1.47 21.36 49.10 2 0 28.04-999 ?-999 ?-999 ? C1 APG4 A 131 mTRP~A 122 -1.31 19.10 46.56 -1.23 19.87 45.94 -1.15 17.10 45.07 -1.52 16.01 44.63 -1.89 17.78 46.21 -3.38 17.91 45.88 3 0 -27.10-999 ?-999 ?-999 ? C1 APG4 A 131s mVAL~A 123 -0.09 17.74 44.61 0.08 18.63 45.03 2.19 17.01 43.97 2.73 17.78 44.76 0.72 17.15 43.57 0.62 17.91 42.23 3 0 24.24-999 ?-999 ?-999 ? C1 APG4 A 131 mGLN.A 124 2.79 16.00 43.39 2.18 15.37 42.92 4.83 16.39 42.17 4.32 16.20 41.06 4.22 15.83 43.44 4.56 14.36 43.63 2 0 24.21-999 ?-999 ?-999 ? C1 APG4 A 131 mGLN.A 125 5.89 17.16 42.33 6.13 17.34 43.29 7.75 16.73 40.84 8.72 16.60 41.59 6.62 17.69 41.18 7.16 19.10 41.44 2 0 21.54-999 ?-999 ?-999 ? C1 APG4 A 131 mILE.A 126 7.59 16.05 39.71 6.80 16.36 39.17 9.34 15.34 38.10 10.28 14.64 37.75 8.49 14.96 39.30 7.73 13.66 38.95 3 0 21.06-999 ?-999 ?-999 ? C1 APG4 A 131 mGLY.A 127 8.97 16.43 37.47 8.21 16.92 37.90 9.19 16.08 35.03 9.76 16.24 33.95 9.64 16.88 36.25-999.99-999.99-999.99 1 0 17.79-999 ?-999 ?-999 ? O1 APG4 A 131