HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-APR-07 2YX6 COMPND HYPOTHETICAL PROTEIN PH0822; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR T.HOSAKA,K.MURAYAMA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET ADP C1001 27 SITE 1 AC1 13 ARG B 74 ILE B 77 VAL B 87 THR B 89 mMET.A 1 -2.35 10.75 2.86 -1.82 11.22 3.56 -4.32 9.49 2.56 -4.47 9.68 3.76 -3.11 10.06 1.84 -2.23 8.98 1.24 2 0 37.54-999 ?-999 ?-999 ? N6 ADP C1001 mARG^A 2 -5.13 8.72 1.86 -4.85 8.54 0.91 -6.27 6.70 2.68 -5.91 5.92 1.80 -6.34 8.22 2.47 -7.59 8.77 1.74 2 0 35.94-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 3 -6.53 6.30 3.90 -6.78 7.05 4.53 -7.83 4.43 4.72 -8.52 5.11 5.48 -6.45 4.91 4.30 -5.44 4.75 5.43 3 0 37.38-999 ?-999 ?-999 ? N6 ADP C1001 mALA^A 4 -8.19 3.26 4.19 -7.48 2.88 3.60 -9.28 1.38 5.38 -8.36 0.62 5.21 -9.47 2.58 4.42 -9.97 2.04 3.08 2 0 37.00-999 ?-999 ?-999 ? N6 ADP C1001 mILE^A 5 -10.19 1.19 6.32 -10.95 1.84 6.27 -11.48 -0.45 7.58 -12.39 0.26 7.93 -10.09 0.16 7.32 -9.49 0.67 8.66 3 0 37.77-999 ?-999 ?-999 ? N6 ADP C1001 mPRO^A 6 -11.61 -1.79 7.45 -10.79 -2.29 7.17 -13.18 -2.43 9.23 -12.25 -2.76 10.01 -12.92 -2.43 7.72 -12.75 -3.86 7.19 3 0 38.24-999 ?-999 ?-999 ? N6 ADP C1001 mALA^A 7 -14.37 -2.00 9.66 -15.03 -1.78 8.94 -15.65 -2.95 11.48 -16.53 -3.32 10.70 -14.67 -1.89 11.08 -15.25 -0.53 11.40 2 0 36.42-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.A 8 -15.53 -3.41 12.73 -14.78 -2.99 13.24 -17.78 -3.83 13.72 -18.81 -4.51 13.73 -16.40 -4.42 13.28 -15.67 -5.09 14.44 2 0 37.72-999 ?-999 ?-999 ? N6 ADP C1001 mASP.A 9 -17.78 -2.56 14.06 -16.92 -2.10 13.85 -19.01 -0.57 13.92 -18.12 -0.24 13.15 -18.90 -1.86 14.68 -18.49 -1.48 16.12 2 0 34.31-999 ?-999 ?-999 ? N1 ADP C1001 mASP.A 10 -20.05 0.21 14.18 -20.78 -0.21 14.71 -19.40 2.58 14.62 -19.67 3.77 14.56 -20.06 1.59 13.67 -21.48 2.08 13.35 2 0 30.73-999 ?-999 ?-999 ? N6 ADP C1001 mARG~A 11 -18.47 2.11 15.43 -18.29 1.13 15.34 -16.62 3.85 15.88 -15.90 4.43 16.69 -17.79 2.99 16.39 -17.38 2.18 17.63 2 0 30.39-999 ?-999 ?-999 ? N1 ADP C1001 mGLY~A 12 -16.41 3.95 14.55 -17.05 3.40 14.01 -13.95 4.37 14.44 -13.65 3.16 14.51 -15.34 4.79 13.98-999.99-999.99-999.99 1 0 30.18-999 ?-999 ?-999 ? N6 ADP C1001 mILE~A 13 -13.10 5.34 14.78 -13.45 6.27 14.68 -11.72 4.33 16.66 -10.63 3.93 17.10 -11.78 5.02 15.28 -10.89 6.26 15.30 3 0 32.13-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~A 14 -12.88 4.15 17.30 -13.66 4.61 16.88 -13.40 1.89 18.26 -13.48 1.08 19.23 -12.97 3.35 18.51 -13.86 4.00 19.55 2 0 32.73-999 ?-999 ?-999 ? N1 ADP C1001 mSER~A 15 -13.65 1.54 16.99 -13.56 2.27 16.31 -12.78 -0.67 16.46 -11.70 -0.14 16.38 -14.03 0.17 16.67 -14.91 0.09 15.41 2 0 34.73-999 ?-999 ?-999 ? N1 ADP C1001 mASN.A 16 -12.91 -1.97 16.38 -13.83 -2.31 16.56 -11.75 -3.08 14.54 -12.80 -3.02 13.91 -11.74 -2.80 16.05 -11.80 -4.14 16.79 2 0 38.47-999 ?-999 ?-999 ? N1 ADP C1001 mVAL.A 17 -10.60 -3.42 13.98 -9.80 -3.30 14.58 -11.39 -5.16 12.58 -11.24 -6.03 13.40 -10.52 -3.92 12.63 -9.02 -4.22 12.21 3 0 40.16-999 ?-999 ?-999 ? N6 ADP C1001 mSER.A 18 -12.33 -5.21 11.64 -12.42 -4.38 11.10 -12.23 -7.53 10.99 -11.37 -7.36 10.13 -13.14 -6.41 11.44 -14.22 -6.16 10.40 2 0 41.07-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.A 19 -12.41 -8.69 11.59 -13.14 -8.72 12.27 -11.81 -10.34 9.80 -10.91 -10.94 9.21 -11.55 -9.81 11.23 -11.57 -10.91 12.32 2 0 44.82-999 ?-999 ?-999 ? N6 ADP C1001 mHIS.A 20 -12.99 -10.11 9.23 -13.65 -9.63 9.81 -13.61 -9.40 6.91 -14.73 -8.91 6.95 -13.25 -10.55 7.84 -14.36 -11.62 7.76 3 0 45.13-999 ?-999 ?-999 ? N6 ADP C1001 mPHE.A 21 -12.68 -9.00 6.05 -11.79 -9.44 6.16 -14.08 -8.59 4.16 -14.19 -9.81 3.92 -12.97 -8.01 5.05 -11.72 -7.65 4.22 3 0 43.55-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 22 -14.95 -7.77 3.65 -14.92 -6.82 3.97 -17.17 -8.69 3.36 -18.19 -8.23 2.90 -15.86 -8.41 2.68-999.99-999.99-999.99 1 0 43.32-999 ?-999 ?-999 ? N6 ADP C1001 mARG.A 23 -17.14 -9.37 4.50 -16.27 -9.77 4.76 -18.60 -8.27 6.21 -19.66 -8.09 6.75 -18.38 -9.46 5.27 -18.47 -10.81 5.98 2 0 42.72-999 ?-999 ?-999 ? N6 ADP C1001 mSER.A 24 -17.59 -7.42 6.34 -16.77 -7.67 5.83 -18.74 -5.18 6.61 -18.94 -5.04 5.40 -17.71 -6.23 7.18 -16.34 -5.61 7.35 2 0 39.59-999 ?-999 ?-999 ? N6 ADP C1001 mARG.A 25 -19.38 -4.46 7.52 -19.04 -4.58 8.46 -20.22 -2.11 7.38 -21.00 -1.26 6.96 -20.49 -3.59 7.14 -21.82 -4.04 7.77 2 0 36.22-999 ?-999 ?-999 ? N6 ADP C1001 mTYR^A 26 -19.09 -1.81 8.02 -18.59 -2.60 8.36 -17.19 -0.30 7.80 -16.40 -1.20 7.99 -18.64 -0.44 8.20 -18.77 -0.07 9.67 3 0 33.81-999 ?-999 ?-999 ? N6 ADP C1001 mPHE^A 27 -16.83 0.85 7.26 -17.58 1.50 7.15 -15.14 2.48 7.44 -15.98 3.37 7.48 -15.47 1.13 6.87 -15.30 1.17 5.36 3 0 34.16-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 28 -13.89 2.63 7.83 -13.36 1.78 7.79 -12.27 4.42 7.29 -11.37 3.70 6.95 -13.34 3.93 8.27 -12.70 3.76 9.69 3 0 32.71-999 ?-999 ?-999 ? N6 ADP C1001 mPHE^A 29 -12.40 5.66 6.84 -13.18 6.13 7.25 -10.77 7.36 6.65 -11.40 8.23 7.28 -11.51 6.29 5.87 -12.31 6.91 4.70 3 0 32.62-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 30 -9.46 7.29 6.63 -9.08 6.58 6.04 -7.74 8.98 6.56 -6.87 8.35 5.86 -8.68 8.21 7.44 -7.79 7.46 8.48 3 0 32.81-999 ?-999 ?-999 ? N6 ADP C1001 mASP^A 31 -7.85 10.31 6.58 -8.60 10.67 7.13 -5.73 11.52 6.67 -5.84 12.18 7.71 -6.94 11.15 5.86 -7.60 12.44 5.41 2 0 32.71-999 ?-999 ?-999 ? N6 ADP C1001 mILE^A 32 -4.57 11.12 6.17 -4.63 10.69 5.27 -2.44 12.29 6.15 -2.25 12.18 4.93 -3.33 11.30 6.93 -2.67 9.94 7.26 3 0 35.24-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^A 33 -1.93 13.28 6.87 -2.25 13.30 7.82 0.21 14.36 7.26 0.07 14.90 8.35 -0.98 14.25 6.30 -1.68 15.58 6.11 2 0 35.97-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 34 1.34 13.75 6.88 1.33 13.39 5.95 2.16 12.75 9.00 1.78 11.60 8.87 2.49 13.62 7.79-999.99-999.99-999.99 1 0 38.98-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.A 35 2.34 13.31 10.19 2.70 14.24 10.13 0.62 12.91 11.81 0.19 12.46 12.86 2.05 12.63 11.44 2.97 13.15 12.57 2 0 38.51-999 ?-999 ?-999 ? N6 ADP C1001 mASP^A 36 -0.12 13.61 10.95 0.29 13.70 10.04 -2.61 13.52 10.64 -2.61 13.27 9.45 -1.41 14.21 11.33 -1.45 15.76 11.21 2 0 34.74-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 37 -3.59 13.21 11.47 -3.37 13.42 12.42 -5.76 13.82 10.84 -6.18 14.44 11.82 -4.85 12.62 11.07 -5.41 11.77 12.23 3 0 32.56-999 ?-999 ?-999 ? N6 ADP C1001 mLYS^A 38 -6.03 14.14 9.57 -5.65 13.50 8.91 -8.31 15.13 9.12 -9.07 16.08 9.18 -6.79 15.32 9.19 -6.27 15.84 7.85 2 0 29.83-999 ?-999 ?-999 ? N6 ADP C1001 mASN^A 39 -8.76 13.90 8.95 -8.06 13.18 8.97 -10.42 12.17 9.03 -9.59 11.32 8.64 -10.16 13.64 8.76 -10.50 14.02 7.34 2 0 28.04-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 40 -11.53 11.87 9.73 -11.97 12.67 10.15 -13.46 10.46 9.27 -14.26 11.36 9.49 -12.04 10.51 9.85 -12.07 10.05 11.28 3 0 28.38-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^A 41 -13.74 9.43 8.48 -13.00 8.77 8.39 -15.48 7.91 8.07 -14.76 6.97 7.76 -15.03 9.32 7.83 -14.91 9.69 6.34 2 0 27.67-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 42 -16.69 7.78 8.63 -17.19 8.63 8.74 -18.48 6.22 8.24 -19.52 6.84 8.48 -17.22 6.50 9.05 -17.60 6.56 10.50 3 0 28.32-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 43 -18.39 5.36 7.23 -17.48 4.96 7.12 -19.98 3.61 6.42 -19.20 2.78 6.91 -19.60 5.09 6.39 -19.44 5.61 4.97 3 0 29.03-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^A 44 -21.17 3.28 5.94 -21.76 4.03 5.64 -21.47 1.31 4.50 -21.41 2.05 3.51 -21.53 1.88 5.89 -22.85 1.57 6.64 2 0 31.22-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.A 45 -21.35 0.00 4.42 -21.33 -0.47 5.30 -22.69 -0.91 2.61 -23.57 -1.34 3.39 -21.27 -0.65 3.11 -20.47 -2.00 3.14 3 0 34.44-999 ?-999 ?-999 ? N6 ADP C1001 mPRO.A 46 -22.94 -0.63 1.32 -22.21 -0.10 0.90 -24.52 -2.56 0.60 -23.62 -3.41 0.65 -24.16 -1.04 0.58 -23.86 -0.56 -0.85 3 0 34.94-999 ?-999 ?-999 ? N6 ADP C1001 mPHE.A 47 -25.84 -2.83 0.57 -26.35 -1.97 0.59 -26.76 -4.78 1.91 -25.85 -5.40 2.48 -26.55 -4.16 0.53 -25.97 -5.19 -0.47 3 0 36.99-999 ?-999 ?-999 ? O1A ADP C1001 mGLY~A 53 -16.56 -6.92 -8.40 -17.21 -7.37 -9.02 -16.25 -5.07 -6.77 -15.70 -3.98 -6.76 -15.62 -6.26 -7.48-999.99-999.99-999.99 1 0 45.57-999 ?-999 ?-999 ? N6 ADP C1001 mASP~A 54 -17.40 -5.29 -6.13 -17.70 -6.24 -6.16 -17.32 -3.49 -4.40 -17.09 -2.33 -4.54 -18.14 -4.22 -5.46 -19.38 -4.76 -4.80 2 0 42.08-999 ?-999 ?-999 ? N6 ADP C1001 mLEU~A 55 -16.89 -4.22 -3.37 -17.16 -5.18 -3.41 -14.87 -2.93 -2.72 -14.70 -1.81 -2.28 -16.08 -3.67 -2.29 -15.73 -4.74 -1.28 3 0 40.95-999 ?-999 ?-999 ? N6 ADP C1001 mPRO~A 56 -14.01 -3.52 -3.57 -14.21 -4.46 -3.82 -13.19 -1.45 -4.72 -12.50 -0.43 -4.54 -12.85 -2.75 -4.04 -12.19 -3.70 -5.02 3 0 42.35-999 ?-999 ?-999 ? N6 ADP C1001 mASN~A 57 -14.26 -1.50 -5.50 -14.74 -2.38 -5.53 -15.26 0.64 -5.28 -15.08 1.81 -5.42 -14.69 -0.34 -6.25 -15.73 -0.75 -7.31 2 0 40.80-999 ?-999 ?-999 ? N6 ADP C1001 mPHE~A 58 -15.97 0.15 -4.28 -16.13 -0.83 -4.36 -15.30 1.78 -2.58 -15.34 3.01 -2.49 -16.45 1.00 -3.19 -17.12 0.10 -2.15 3 0 37.50-999 ?-999 ?-999 ? N6 ADP C1001 mILE~A 59 -14.23 1.06 -2.22 -14.32 0.08 -2.39 -12.37 2.73 -2.58 -12.18 3.88 -2.20 -13.03 1.70 -1.63 -12.06 0.61 -1.09 3 0 37.84-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~A 60 -12.07 2.34 -3.82 -12.26 1.37 -3.98 -12.40 4.47 -5.04 -11.90 5.58 -5.06 -11.54 3.22 -4.84 -11.37 2.48 -6.15 2 0 39.05-999 ?-999 ?-999 ? N6 ADP C1001 mASP~A 61 -13.72 4.28 -5.10 -14.00 3.32 -5.03 -14.61 6.38 -4.09 -14.97 7.52 -4.24 -14.66 5.39 -5.26 -16.08 4.88 -5.43 2 0 36.22-999 ?-999 ?-999 ? N6 ADP C1001 mHIS~A 62 -14.18 5.91 -2.92 -14.03 4.92 -2.90 -12.55 7.37 -1.65 -12.26 8.04 -0.69 -13.95 6.77 -1.77 -14.36 6.05 -0.51 3 0 33.81-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 63 -11.72 7.18 -2.65 -12.07 6.55 -3.34 -9.33 7.14 -1.91 -8.25 7.68 -1.76 -10.41 7.85 -2.69-999.99-999.99-999.99 1 0 35.61-999 ?-999 ?-999 ? N6 ADP C1001 mALA.A 64 -9.60 5.93 -1.37 -10.48 5.53 -1.62 -7.55 4.66 -1.37 -7.88 4.06 -2.40 -8.60 5.30 -0.48 -9.23 4.31 0.41 2 0 37.37-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.A 65 -6.27 4.82 -1.01 -6.11 5.36 -0.19 -4.52 3.13 -1.06 -3.77 2.35 -1.62 -5.22 4.23 -1.84 -4.20 5.31 -2.25 2 0 40.80-999 ?-999 ?-999 ? N6 ADP C1001 mILE^A 66 -4.80 3.06 0.23 -5.37 3.81 0.58 -5.43 1.37 1.89 -6.27 2.06 2.38 -4.29 1.96 1.06 -3.15 2.43 2.01 3 0 41.80-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 67 -5.43 0.05 2.03 -4.71 -0.40 1.51 -5.65 -1.43 3.92 -4.73 -2.21 3.59 -6.41 -0.65 2.86 -7.24 -1.61 1.99 3 0 41.70-999 ?-999 ?-999 ? N6 ADP C1001 mLEU^A 68 -6.04 -1.25 5.18 -6.72 -0.54 5.32 -6.50 -3.06 6.68 -7.55 -2.69 7.15 -5.49 -2.04 6.26 -5.16 -1.18 7.49 3 0 42.47-999 ?-999 ?-999 ? N6 ADP C1001 mTHR.A 69 -6.15 -4.35 6.59 -5.24 -4.53 6.23 -6.43 -6.44 7.87 -5.21 -6.52 7.94 -7.10 -5.38 7.02 -7.68 -6.14 5.81 2 0 43.94-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.A 70 -7.27 -7.25 8.53 -8.23 -6.94 8.53 -6.79 -9.55 8.12 -5.77 -9.74 7.46 -6.84 -8.46 9.20 -7.80 -8.82 10.35 3 0 46.26-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 71 -7.93 -10.17 7.88 -8.68 -9.88 8.47 -8.79 -10.66 5.60 -9.70 -9.85 5.68 -8.06 -11.19 6.84-999.99-999.99-999.99 1 0 48.26-999 ?-999 ?-999 ? N6 ADP C1001 mILE.A 72 -8.37 -11.14 4.44 -7.61 -11.79 4.51 -8.53 -11.78 2.21 -7.46 -12.38 2.40 -8.98 -10.74 3.20 -8.52 -9.30 2.82 3 0 48.17-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~A 73 -9.36 -12.07 1.23 -10.20 -11.53 1.20 -8.02 -12.70 -0.76 -7.88 -11.53 -1.06 -9.03 -13.13 0.27-999.99-999.99-999.99 1 0 50.94-999 ?-999 ?-999 ? N6 ADP C1001 mARG~A 74 -7.32 -13.66 -1.32 -7.56 -14.57 -0.97 -6.86 -12.70 -3.57 -6.24 -11.80 -4.11 -6.31 -13.41 -2.34 -5.70 -14.72 -2.78 2 0 53.25-999 ?-999 ?-999 ? N6 ADP C1001 mARG~A 75 -8.03 -13.16 -4.01 -8.38 -13.95 -3.51 -9.04 -11.07 -4.89 -8.88 -10.28 -5.83 -8.73 -12.55 -5.13 -10.03 -13.31 -5.38 2 0 52.41-999 ?-999 ?-999 ? N6 ADP C1001 mALA~A 76 -9.51 -10.72 -3.68 -9.62 -11.51 -3.07 -8.58 -8.43 -3.32 -8.62 -7.32 -3.86 -9.83 -9.32 -3.29 -10.52 -9.25 -1.89 2 0 48.61-999 ?-999 ?-999 ? N6 ADP C1001 mILE~A 77 -7.47 -8.95 -2.77 -7.63 -9.84 -2.35 -5.78 -8.05 -4.22 -5.43 -6.95 -4.58 -6.16 -8.29 -2.78 -4.99 -9.19 -2.13 3 0 49.43-999 ?-999 ?-999 ? N6 ADP C1001 mGLU~A 78 -5.85 -9.09 -5.05 -6.18 -9.94 -4.65 -6.33 -7.84 -7.19 -5.84 -6.97 -7.95 -5.45 -8.89 -6.46 -5.52 -10.23 -7.20 2 0 51.68-999 ?-999 ?-999 ? N6 ADP C1001 mTYR~A 79 -7.62 -7.88 -6.90 -7.87 -8.61 -6.26 -8.20 -5.49 -7.00 -8.19 -4.58 -7.81 -8.56 -6.94 -7.47 -10.00 -7.35 -7.11 3 0 49.10-999 ?-999 ?-999 ? N6 ADP C1001 mPHE~A 80 -7.80 -5.34 -5.74 -7.81 -6.19 -5.21 -6.14 -3.57 -5.91 -6.05 -2.40 -6.35 -7.37 -4.06 -5.17 -7.09 -4.17 -3.67 3 0 46.56-999 ?-999 ?-999 ? N6 ADP C1001 mASN~A 81 -5.19 -4.48 -6.07 -5.40 -5.38 -5.70 -4.15 -3.77 -8.17 -3.47 -2.86 -8.65 -3.96 -4.21 -6.71 -3.09 -5.47 -6.59 2 0 49.23-999 ?-999 ?-999 ? N6 ADP C1001 mSER~A 82 -5.13 -4.36 -8.84 -5.66 -5.03 -8.33 -5.92 -2.59 -10.30 -5.78 -1.93 -11.34 -5.39 -4.03 -10.23 -6.36 -5.03 -10.85 2 0 49.97-999 ?-999 ?-999 ? N6 ADP C1001 mLEU~A 83 -6.51 -2.11 -9.22 -6.55 -2.78 -8.48 -6.04 0.22 -8.48 -6.35 1.38 -8.10 -7.06 -0.74 -9.11 -8.30 -0.81 -8.26 3 0 46.30-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 84 -4.81 -0.26 -8.34 -4.74 -1.24 -8.56 -3.86 0.86 -6.42 -3.40 1.88 -5.91 -3.69 0.62 -7.90-999.99-999.99-999.99 1 0 46.77-999 ?-999 ?-999 ? N6 ADP C1001 mILE.A 85 -4.55 -0.06 -5.75 -4.93 -0.79 -6.31 -3.93 -1.08 -3.53 -3.96 -2.23 -3.93 -4.73 0.03 -4.29 -6.22 0.01 -3.90 3 0 44.85-999 ?-999 ?-999 ? N6 ADP C1001 mSER^A 86 -3.21 -0.67 -2.50 -3.35 0.29 -2.27 -3.04 -2.04 -0.58 -3.81 -1.30 0.00 -2.30 -1.54 -1.75 -1.10 -0.73 -1.23 2 0 46.44-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 87 -2.78 -3.26 -0.17 -2.05 -3.72 -0.67 -2.48 -4.27 1.99 -1.47 -4.88 1.61 -3.52 -3.83 0.95 -4.39 -5.08 0.46 3 0 46.37-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^A 88 -2.73 -4.01 3.27 -3.52 -3.41 3.41 -2.80 -5.57 5.14 -3.93 -5.23 5.53 -1.93 -4.57 4.36 -1.42 -3.45 5.36 3 0 47.02-999 ?-999 ?-999 ? N6 ADP C1001 mTHR.A 89 -2.29 -6.81 5.29 -1.38 -6.92 4.89 -2.38 -8.15 7.32 -1.28 -7.70 7.57 -3.01 -7.90 5.97 -2.95 -9.22 5.16 2 0 48.53-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 90 -3.12 -8.83 8.21 -4.00 -9.13 7.85 -2.78 -7.99 10.63 -2.31 -8.11 11.74 -2.63 -9.10 9.59-999.99-999.99-999.99 1 0 49.17-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.A 91 -3.48 -6.92 10.29 -3.85 -6.97 9.36 -4.89 -6.06 12.08 -5.94 -6.44 11.60 -3.68 -5.79 11.19 -3.87 -4.46 10.38 3 0 45.77-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.A 92 -4.77 -5.86 13.38 -3.85 -5.57 13.65 -5.83 -5.01 15.38 -4.79 -4.36 15.56 -5.90 -6.06 14.31 -5.76 -7.42 14.99 3 0 44.48-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 93 -6.93 -4.89 16.13 -7.70 -5.46 15.83 -7.85 -2.80 17.06 -8.54 -2.69 16.01 -7.00 -4.03 17.29-999.99-999.99-999.99 1 0 42.20-999 ?-999 ?-999 ? N1 ADP C1001 mARG~A 94 -7.72 -1.83 17.98 -7.04 -2.00 18.69 -8.04 0.19 16.78 -6.84 0.39 16.64 -8.57 -0.62 17.91 -8.44 0.25 19.16 2 0 38.55-999 ?-999 ?-999 ? N1 ADP C1001 mILE~A 95 -8.95 0.77 16.03 -9.89 0.70 16.36 -7.71 2.66 15.14 -6.70 2.93 14.48 -8.53 1.43 14.81 -9.73 1.69 13.89 3 0 36.96-999 ?-999 ?-999 ? N6 ADP C1001 mSER~A 96 -8.05 3.36 16.22 -8.88 3.02 16.67 -5.77 4.14 16.89 -4.87 4.89 16.53 -7.24 4.52 16.66 -7.81 5.15 17.95 2 0 35.59-999 ?-999 ?-999 ? N6 ADP C1001 mASP~A 97 -5.53 2.97 17.50 -6.36 2.47 17.75 -3.44 2.07 16.53 -2.25 2.30 16.38 -4.18 2.47 17.78 -4.20 1.28 18.72 2 0 39.24-999 ?-999 ?-999 ? N1 ADP C1001 mVAL~A 98 -4.17 1.46 15.61 -5.11 1.29 15.89 -3.13 2.27 13.51 -2.05 2.20 12.94 -3.64 1.06 14.31 -4.70 0.30 13.54 3 0 40.54-999 ?-999 ?-999 ? N6 ADP C1001 mILE~A 99 -3.88 3.36 13.48 -4.70 3.28 14.05 -2.33 5.23 13.30 -1.42 5.61 12.56 -3.58 4.56 12.73 -4.84 5.51 12.70 3 0 38.25-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~A 100 -2.23 5.27 14.62 -3.04 4.92 15.10 0.18 4.89 14.99 1.23 5.41 14.67 -1.03 5.78 15.30 -1.27 5.87 16.83 2 0 39.38-999 ?-999 ?-999 ? N6 ADP C1001 mALA~A 101 0.01 3.57 15.04 -0.90 3.29 15.34 1.49 2.84 13.24 2.68 2.97 12.94 1.08 2.64 14.69 0.71 1.16 14.96 2 0 42.98-999 ?-999 ?-999 ? N6 ADP C1001 mPHE~A 102 0.51 2.89 12.35 -0.41 2.80 12.75 1.62 4.31 10.61 2.67 4.25 9.94 0.75 3.05 10.93 -0.61 3.05 10.20 3 0 42.66-999 ?-999 ?-999 ? N6 ADP C1001 mILE~A 103 1.19 5.46 11.10 0.32 5.36 11.57 3.41 6.66 11.45 4.30 7.24 10.82 1.94 6.73 10.96 1.21 7.82 11.75 3 0 41.42-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~A 104 3.65 5.94 12.55 2.82 5.55 12.96 5.84 4.55 12.69 6.82 4.21 13.37 5.00 5.74 13.11-999.99-999.99-999.99 1 0 44.37-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.A 105 5.48 3.87 11.58 4.64 4.18 11.14 6.45 1.53 11.98 7.31 0.67 11.71 6.33 2.76 11.10-999.99-999.99-999.99 1 0 47.26-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.A 106 5.55 1.40 12.97 4.89 2.15 13.00 4.16 -0.44 13.99 3.43 -0.43 15.03 5.53 0.28 13.93 5.90 0.74 15.36 2 0 47.95-999 ?-999 ?-999 ? N6 ADP C1001 mLEU.A 107 3.80 -1.07 12.90 4.45 -1.10 12.15 2.68 -3.04 13.50 3.73 -3.66 13.30 2.50 -1.67 12.87 2.02 -1.72 11.41 3 0 46.91-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.A 108 1.69 -3.47 14.28 0.97 -2.80 14.42 0.92 -5.83 14.01 -0.28 -5.76 13.91 1.67 -4.82 14.87 1.04 -4.76 16.25 2 0 48.45-999 ?-999 ?-999 ? N6 ADP C1001 mILE.A 109 1.63 -6.76 13.40 2.59 -6.78 13.68 0.83 -9.07 12.94 1.75 -9.61 13.54 1.01 -7.67 12.40 1.93 -7.80 11.11 3 0 50.15-999 ?-999 ?-999 ? N6 ADP C1001 mASP.A 110 -0.35 -9.65 12.76 -1.05 -9.07 12.36 -0.13 -11.90 11.93 -0.93 -12.16 10.97 -0.56 -11.05 13.10 -2.05 -11.28 13.38 2 0 51.71-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.A 111 1.13 -12.38 12.02 1.60 -12.16 12.88 0.91 -14.38 10.63 0.99 -14.88 9.51 1.74 -13.16 10.96 3.18 -13.59 11.32 3 0 54.91-999 ?-999 ?-999 ? N6 ADP C1001 mASP.A 112 0.14 -14.85 11.61 0.08 -14.27 12.43 -2.04 -15.95 11.20 -2.83 -16.88 11.45 -0.56 -16.13 11.48 -0.40 -16.97 12.76 2 0 55.89-999 ?-999 ?-999 ? N6 ADP C1001 mTRP.A 113 -2.42 -14.79 10.68 -1.67 -14.14 10.54 -4.52 -15.48 9.40 -5.73 -15.39 9.20 -3.83 -14.51 10.36 -4.03 -13.07 9.85 3 0 52.81-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.A 114 -3.78 -16.36 8.75 -2.80 -16.30 8.95 -4.78 -18.62 8.54 -5.78 -19.24 8.18 -4.38 -17.33 7.81 -3.40 -17.68 6.72 2 0 55.20-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.A 115 -4.01 -19.02 9.56 -3.17 -18.49 9.70 -5.45 -19.83 11.45 -5.24 -20.13 12.62 -4.41 -20.17 10.37 -3.21 -20.96 10.98 2 0 57.36-999 ?-999 ?-999 ? N6 ADP C1001 mMET.B 1 -15.57 23.19 22.36 -14.60 23.32 22.59 -17.10 22.18 20.74 -16.44 22.49 19.69 -17.00 23.00 22.02 -17.53 24.43 21.77 2 0 17.61-999 ?-999 ?-999 ? N1 ADP C1001 mARG^B 2 -17.92 21.13 20.79 -18.33 20.97 21.69 -19.44 20.71 18.83 -20.54 20.80 19.37 -18.17 20.29 19.61 -18.20 18.79 19.97 2 0 17.31-999 ?-999 ?-999 ? N1 ADP C1001 mVAL^B 3 -19.28 20.86 17.54 -18.37 20.62 17.22 -20.73 20.26 15.63 -19.86 19.62 15.07 -20.36 21.33 16.68 -19.92 22.64 15.97 3 0 14.69-999 ?-999 ?-999 ? N6 ADP C1001 mALA^B 4 -22.02 20.07 15.38 -22.63 20.68 15.89 -23.12 19.77 13.32 -23.79 20.77 13.57 -22.49 19.03 14.42 -23.52 18.15 15.03 2 0 14.52-999 ?-999 ?-999 ? N6 ADP C1001 mILE^B 5 -22.86 19.31 12.09 -22.29 18.49 12.08 -23.89 18.84 9.95 -23.12 17.97 9.63 -23.39 19.96 10.89 -22.30 20.74 10.15 3 0 13.83-999 ?-999 ?-999 ? N6 ADP C1001 mPRO^B 6 -25.19 18.86 9.54 -25.74 19.61 9.93 -25.14 18.00 7.22 -25.15 19.09 6.71 -25.73 17.86 8.60 -27.25 18.20 8.54 3 0 14.99-999 ?-999 ?-999 ? N6 ADP C1001 mALA^B 7 -24.64 16.92 6.63 -24.78 16.06 7.13 -24.75 16.28 4.28 -25.44 15.29 4.58 -23.95 17.01 5.35 -22.53 16.46 5.45 2 0 17.99-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.B 8 -24.72 16.82 3.06 -24.15 17.64 2.98 -24.79 14.99 1.41 -25.45 14.06 0.96 -25.48 16.24 1.95 -25.73 17.26 0.83 2 0 19.94-999 ?-999 ?-999 ? N6 ADP C1001 mASP.B 9 -23.46 14.99 1.47 -23.10 15.75 2.01 -21.61 13.32 1.75 -21.37 13.84 2.86 -22.60 13.99 0.82 -21.79 14.69 -0.26 2 0 23.27-999 ?-999 ?-999 ? N6 ADP C1001 mASP.B 10 -21.01 12.22 1.29 -21.40 11.87 0.43 -18.62 12.46 1.90 -17.55 12.10 2.35 -19.89 11.58 1.98 -19.64 10.11 1.49 2 0 25.52-999 ?-999 ?-999 ? N6 ADP C1001 mARG~B 11 -18.75 13.62 1.31 -19.68 13.80 0.98 -17.29 15.23 2.47 -16.31 16.00 2.55 -17.64 14.54 1.15 -17.98 15.57 0.07 2 0 25.21-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~B 12 -18.11 14.96 3.49 -18.86 14.35 3.26 -17.65 17.03 4.88 -18.51 17.86 4.53 -17.91 15.52 4.82-999.99-999.99-999.99 1 0 22.61-999 ?-999 ?-999 ? N6 ADP C1001 mILE~B 13 -16.46 17.40 5.35 -15.82 16.66 5.52 -16.05 19.62 4.29 -15.93 20.87 4.32 -16.18 18.83 5.58 -15.01 18.99 6.59 3 0 21.57-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~B 14 -16.08 18.92 3.16 -16.19 17.93 3.32 -17.34 19.42 1.09 -17.49 19.84 -0.07 -15.99 19.51 1.82 -14.94 18.78 1.00 2 0 23.28-999 ?-999 ?-999 ? N6 ADP C1001 mSER~B 15 -18.33 18.88 1.80 -18.02 18.45 2.65 -20.38 20.25 1.73 -19.79 21.18 2.31 -19.71 18.90 1.41 -20.41 17.75 2.16 2 0 21.41-999 ?-999 ?-999 ? N6 ADP C1001 mASN.B 16 -21.66 20.31 1.35 -21.97 19.54 0.80 -23.48 21.06 2.86 -23.77 19.88 3.12 -22.52 21.42 1.72 -23.35 21.88 0.52 2 0 18.41-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.B 17 -24.02 22.08 3.49 -23.73 22.99 3.19 -26.21 21.23 3.94 -26.73 21.72 2.94 -24.96 21.86 4.55 -25.32 23.18 5.23 3 0 14.95-999 ?-999 ?-999 ? N6 ADP C1001 mSER.B 18 -26.72 20.14 4.52 -26.21 19.78 5.30 -29.09 20.56 4.16 -29.22 21.13 5.22 -27.97 19.58 3.98 -28.40 18.27 4.66 2 0 15.56-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.B 19 -29.96 20.66 3.15 -29.76 20.06 2.38 -32.14 21.19 4.22 -32.63 22.06 4.93 -31.10 21.58 3.18 -31.73 21.76 1.78 2 0 14.35-999 ?-999 ?-999 ? N7 ADP C1001 mHIS.B 20 -32.45 19.90 4.33 -31.97 19.30 3.68 -32.65 18.56 6.30 -32.11 17.48 5.93 -33.40 19.41 5.33 -34.49 18.51 4.70 3 0 13.44-999 ?-999 ?-999 ? O1A ADP C1001 mPHE.B 21 -32.57 19.03 7.53 -32.88 19.97 7.64 -33.14 17.17 8.69 -34.30 17.46 8.36 -32.05 18.22 8.61 -31.96 19.04 9.89 3 0 12.84-999 ?-999 ?-999 ? N7 ADP C1001 mGLY.B 22 -32.85 15.97 9.08 -31.88 15.77 9.27 -33.83 14.01 8.13 -33.88 12.81 8.42 -33.99 15.05 9.19-999.99-999.99-999.99 1 0 14.86-999 ?-999 ?-999 ? O1A ADP C1001 mARG.B 23 -33.62 14.46 6.89 -33.70 15.45 6.79 -31.79 13.32 5.67 -31.36 12.36 5.01 -33.30 13.57 5.78 -33.74 14.19 4.46 2 0 17.48-999 ?-999 ?-999 ? O1A ADP C1001 mSER.B 24 -31.00 14.20 6.28 -31.50 14.90 6.80 -28.98 12.76 6.63 -29.34 12.24 7.67 -29.56 14.13 6.20 -28.98 15.27 7.05 2 0 18.10-999 ?-999 ?-999 ? N7 ADP C1001 mARG.B 25 -28.10 12.15 5.82 -27.84 12.68 5.01 -26.14 10.86 6.69 -25.57 9.86 7.06 -27.58 10.81 6.14 -27.70 9.82 4.94 2 0 21.42-999 ?-999 ?-999 ? N6 ADP C1001 mTYR^B 26 -25.56 12.05 6.69 -26.13 12.80 6.35 -24.15 13.47 8.03 -24.83 14.46 7.71 -24.20 12.23 7.16 -23.27 12.40 5.99 3 0 20.81-999 ?-999 ?-999 ? N6 ADP C1001 mPHE^B 27 -23.36 13.39 9.10 -22.95 12.49 9.24 -21.65 14.75 10.13 -20.86 13.82 10.28 -23.10 14.51 9.98 -23.76 14.30 11.34 3 0 18.48-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^B 28 -21.27 16.02 10.06 -21.98 16.69 9.83 -19.80 16.83 11.75 -20.52 17.71 12.13 -19.89 16.36 10.31 -19.43 17.45 9.38 3 0 18.81-999 ?-999 ?-999 ? N6 ADP C1001 mPHE^B 29 -18.90 16.24 12.54 -18.42 15.49 12.10 -17.27 17.27 13.96 -16.27 16.66 13.48 -18.65 16.64 13.91 -18.66 15.44 14.83 3 0 18.93-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^B 30 -17.15 18.43 14.58 -18.00 18.79 14.96 -15.68 19.66 16.06 -16.65 20.06 16.67 -15.85 19.10 14.67 -15.63 20.23 13.60 3 0 19.58-999 ?-999 ?-999 ? N6 ADP C1001 mASP^B 31 -14.45 19.67 16.57 -13.75 19.25 16.00 -13.50 21.58 17.68 -12.47 21.63 17.05 -14.20 20.26 17.89 -13.40 19.33 18.81 2 0 20.62-999 ?-999 ?-999 ? N6 ADP C1001 mILE^B 32 -14.12 22.65 18.14 -14.99 22.45 18.60 -12.95 24.58 19.24 -13.62 24.69 20.27 -13.56 23.99 17.97 -14.59 24.95 17.32 3 0 19.81-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^B 33 -11.69 24.99 19.11 -11.27 24.72 18.25 -10.31 27.01 19.53 -9.31 26.86 18.83 -10.97 25.77 20.15 -9.86 24.92 20.73 2 0 22.18-999 ?-999 ?-999 ? N1 ADP C1001 mGLY.B 34 -10.84 28.21 19.76 -11.64 28.21 20.35 -10.50 29.34 17.68 -11.58 28.89 17.30 -10.23 29.41 19.16-999.99-999.99-999.99 1 0 22.44-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.B 35 -9.58 29.78 16.84 -8.80 30.26 17.25 -9.10 28.21 14.93 -8.69 28.07 13.77 -9.77 29.51 15.40 -9.52 30.71 14.45 2 0 22.50-999 ?-999 ?-999 ? N6 ADP C1001 mASP^B 36 -9.08 27.25 15.85 -9.48 27.52 16.73 -9.61 24.83 15.57 -10.23 24.49 16.60 -8.53 25.93 15.61 -7.49 25.66 16.69 2 0 24.05-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^B 37 -9.83 24.29 14.37 -9.34 24.72 13.62 -9.90 21.91 14.34 -8.94 21.75 13.60 -10.74 23.15 14.22 -11.57 23.20 12.90 3 0 22.53-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.B 38 -10.21 21.05 15.31 -11.08 21.22 15.77 -9.64 18.50 15.16 -8.93 17.93 14.32 -9.30 19.94 15.62 -8.84 19.98 17.08 2 0 24.99-999 ?-999 ?-999 ? N6 ADP C1001 mASN.B 39 -10.69 17.90 15.69 -11.25 18.47 16.30 -12.14 16.28 14.43 -13.19 15.87 14.87 -10.94 16.48 15.36 -11.13 15.65 16.64 2 0 25.12-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.B 40 -11.96 16.57 13.15 -11.02 16.84 12.94 -13.43 15.07 11.88 -12.64 14.24 11.43 -13.02 16.51 12.14 -12.57 17.12 10.81 3 0 23.54-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^B 41 -14.69 14.78 12.11 -15.25 15.56 12.40 -16.53 13.51 11.17 -17.39 14.32 11.51 -15.21 13.44 11.95 -15.40 12.85 13.34 2 0 23.80-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^B 42 -16.68 12.68 10.14 -15.86 12.15 9.89 -18.51 11.16 9.59 -17.77 10.20 9.43 -17.95 12.57 9.46 -17.85 13.07 8.01 3 0 23.03-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^B 43 -19.77 11.05 9.99 -20.27 11.92 9.98 -21.71 9.63 9.68 -22.60 10.49 9.77 -20.38 9.81 10.42 -20.72 9.78 11.93 3 0 23.66-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^B 44 -21.83 8.53 8.94 -20.98 8.03 8.81 -24.04 7.66 9.52 -23.63 6.99 10.46 -23.11 8.12 8.38 -22.91 7.01 7.36 2 0 24.40-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.B 45 -25.28 8.13 9.47 -25.45 8.74 8.70 -26.65 6.26 10.35 -26.74 5.72 9.24 -26.29 7.76 10.45 -27.57 8.66 10.28 3 0 23.24-999 ?-999 ?-999 ? N6 ADP C1001 mPRO.B 46 -26.83 5.59 11.51 -26.61 6.13 12.32 -28.76 3.97 11.19 -29.49 3.27 11.90 -27.29 4.20 11.61 -27.09 3.87 13.11 3 0 25.96-999 ?-999 ?-999 ? O4' ADP C1001 mPHE.B 47 -29.17 4.55 10.06 -28.48 5.16 9.68 -31.69 4.27 10.37 -32.82 3.95 9.93 -30.49 4.32 9.43 -30.48 3.06 8.52 3 0 25.23-999 ?-999 ?-999 ? O4' ADP C1001 mGLY~B 53 -36.57 12.52 17.49 -36.82 13.24 16.84 -34.80 10.81 18.31 -33.88 11.06 19.12 -36.20 11.44 18.47-999.99-999.99-999.99 1 0 15.89-999 ?-999 ?-999 ? O4' ADP C1001 mASP~B 54 -34.63 10.01 17.26 -35.43 9.95 16.68 -32.26 10.18 16.50 -31.09 9.92 16.78 -33.37 9.29 16.99 -33.59 8.19 15.94 2 0 18.49-999 ?-999 ?-999 ? O4' ADP C1001 mLEU~B 55 -32.56 11.21 15.74 -33.53 11.35 15.55 -30.84 12.89 16.39 -29.60 12.89 16.60 -31.45 12.04 15.25 -31.87 12.92 14.06 3 0 16.62-999 ?-999 ?-999 ? O4' ADP C1001 mPRO~B 56 -31.68 13.61 17.14 -32.63 13.63 16.83 -30.38 13.45 19.31 -29.40 13.94 19.91 -31.18 14.29 18.32 -32.44 14.84 18.95 3 0 14.70-999 ?-999 ?-999 ? O4' ADP C1001 mASN~B 57 -30.79 12.20 19.52 -31.65 11.95 19.06 -28.66 10.92 19.73 -27.65 10.76 20.44 -30.01 11.30 20.36 -30.78 10.03 20.77 2 0 18.16-999 ?-999 ?-999 ? O4' ADP C1001 mPHE~B 58 -28.65 10.73 18.41 -29.54 10.87 17.98 -26.39 11.52 17.87 -25.15 11.32 18.03 -27.42 10.35 17.69 -27.77 10.08 16.21 3 0 19.82-999 ?-999 ?-999 ? C2 ADP C1001 mILE~B 59 -26.90 12.74 17.87 -27.89 12.80 17.79 -25.51 14.04 19.47 -24.33 14.36 19.72 -26.03 13.88 18.00 -26.69 15.15 17.37 3 0 16.97-999 ?-999 ?-999 ? N1 ADP C1001 mLYS~B 60 -26.40 13.80 20.43 -27.32 13.55 20.10 -24.98 12.82 22.15 -23.90 13.11 22.68 -26.04 13.89 21.83 -27.32 13.72 22.70 2 0 17.41-999 ?-999 ?-999 ? C2 ADP C1001 mASP~B 61 -25.27 11.59 21.76 -26.15 11.50 21.30 -22.98 10.75 21.39 -21.96 10.28 21.87 -24.33 10.47 22.02 -24.91 9.18 21.46 2 0 21.19-999 ?-999 ?-999 ? C2 ADP C1001 mHIS~B 62 -22.97 11.55 20.31 -23.88 11.77 19.96 -21.10 13.28 20.38 -20.06 13.81 19.94 -21.73 12.03 19.70 -21.93 12.21 18.21 3 0 20.74-999 ?-999 ?-999 ? N1 ADP C1001 mGLY.B 63 -21.72 13.75 21.44 -22.60 13.33 21.68 -21.32 16.24 21.64 -20.78 17.16 22.21 -21.09 14.83 22.17-999.99-999.99-999.99 1 0 19.32-999 ?-999 ?-999 ? N1 ADP C1001 mALA.B 64 -22.11 16.43 20.57 -22.57 15.62 20.22 -23.08 18.74 20.87 -24.10 18.30 21.48 -22.22 17.81 20.01 -22.67 17.81 18.54 2 0 15.90-999 ?-999 ?-999 ? N1 ADP C1001 mLYS.B 65 -22.66 20.00 20.96 -21.83 20.22 20.44 -24.18 21.99 20.96 -25.05 22.64 21.44 -23.42 20.96 21.77 -22.48 21.69 22.78 2 0 13.37-999 ?-999 ?-999 ? N1 ADP C1001 mILE^B 66 -23.78 22.17 19.72 -23.02 21.57 19.45 -24.51 22.43 17.54 -23.66 21.69 17.13 -24.36 23.15 18.84 -23.49 24.37 18.65 3 0 10.56-999 ?-999 ?-999 ? N1 ADP C1001 mVAL^B 67 -25.64 22.66 16.92 -26.27 23.23 17.44 -26.15 23.32 14.70 -26.99 24.17 14.98 -25.94 22.13 15.60 -27.24 21.20 15.57 3 0 9.94-999 ?-999 ?-999 ? N6 ADP C1001 mLEU^B 68 -25.39 23.35 13.61 -24.68 22.65 13.63 -26.26 23.65 11.30 -25.77 22.67 10.71 -25.54 24.27 12.49 -24.17 24.82 12.03 3 0 9.02-999 ?-999 ?-999 ? N6 ADP C1001 mTHR.B 69 -27.40 24.26 10.92 -27.60 25.13 11.37 -28.82 24.74 9.01 -28.78 25.94 9.34 -28.27 23.67 9.92 -29.56 23.04 10.55 2 0 8.85-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.B 70 -29.37 24.29 7.89 -29.29 23.31 7.72 -31.50 25.23 7.48 -31.94 26.15 8.18 -30.05 25.21 7.01 -29.91 24.75 5.56 3 0 9.40-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.B 71 -32.21 24.16 7.14 -31.71 23.49 6.59 -33.81 22.84 8.51 -33.12 21.85 8.47 -33.60 23.98 7.54-999.99-999.99-999.99 1 0 8.94-999 ?-999 ?-999 ? N7 ADP C1001 mILE.B 72 -34.74 23.02 9.41 -35.21 23.90 9.30 -36.46 22.45 10.97 -36.81 23.63 11.02 -35.06 22.05 10.45 -34.02 22.08 11.60 3 0 8.20-999 ?-999 ?-999 ? N7 ADP C1001 mGLY~B 73 -37.29 21.45 11.31 -36.94 20.52 11.17 -38.61 22.14 13.30 -37.70 21.81 14.06 -38.60 21.75 11.85-999.99-999.99-999.99 1 0 6.44-999 ?-999 ?-999 ? O1A ADP C1001 mARG~B 74 -39.65 22.86 13.69 -40.27 23.07 12.93 -39.74 22.28 16.14 -39.05 22.51 17.15 -39.91 23.33 15.04 -41.34 23.87 15.09 2 0 -4.30-999 ?-999 ?-999 ? C5' ADP C1001s mARG~B 75 -40.40 21.13 15.98 -40.95 21.05 15.15 -38.89 19.52 17.11 -38.51 19.15 18.21 -40.29 20.09 16.96 -41.32 19.01 16.69 2 0 7.33-999 ?-999 ?-999 ? O4' ADP C1001 mALA~B 76 -38.12 19.43 16.02 -38.56 19.72 15.17 -35.84 19.95 16.85 -34.99 19.61 17.68 -36.72 18.92 16.14 -36.15 18.54 14.79 2 0 8.38-999 ?-999 ?-999 ? O4' ADP C1001 mILE~B 77 -36.08 21.23 16.60 -36.78 21.42 15.92 -35.55 22.14 18.80 -34.59 22.24 19.59 -35.32 22.25 17.33 -35.74 23.68 16.86 3 0 -5.68-999 ?-999 ?-999 ? O4' ADP C1001s mGLU~B 78 -36.83 21.95 19.19 -37.48 21.85 18.43 -36.71 20.60 21.27 -36.47 20.55 22.48 -37.24 21.90 20.60 -38.79 22.01 20.75 2 0 6.44-999 ?-999 ?-999 ? O4' ADP C1001 mTYR~B 79 -36.51 19.58 20.44 -36.71 19.76 19.48 -34.59 18.51 21.36 -34.23 18.13 22.45 -36.02 18.33 20.94 -36.04 17.25 19.90 3 0 9.91-999 ?-999 ?-999 ? O4' ADP C1001 mPHE~B 80 -33.81 19.09 20.46 -34.26 19.31 19.60 -32.33 20.24 21.95 -31.54 19.98 22.86 -32.42 19.40 20.70 -31.82 20.13 19.49 3 0 10.14-999 ?-999 ?-999 ? N3 ADP C1001 mASN~B 81 -33.21 21.21 22.03 -33.94 21.20 21.34 -33.30 21.51 24.40 -32.69 21.90 25.43 -33.07 22.20 23.07 -34.12 23.31 22.91 2 0 8.53-999 ?-999 ?-999 ? N3 ADP C1001 mSER~B 82 -34.26 20.58 24.45 -34.79 20.43 23.61 -33.28 19.00 26.13 -33.17 18.63 27.30 -34.46 19.85 25.71 -35.76 19.02 25.73 2 0 11.86-999 ?-999 ?-999 ? N3 ADP C1001 mLEU~B 83 -32.42 18.65 25.19 -32.68 18.97 24.28 -30.04 18.81 25.72 -28.88 18.36 25.89 -31.23 17.87 25.48 -30.91 17.01 24.26 3 0 13.67-999 ?-999 ?-999 ? C2 ADP C1001 mGLY.B 84 -30.30 20.12 25.77 -31.25 20.39 25.61 -28.34 21.31 24.83 -27.22 21.82 24.95 -29.23 21.04 26.04-999.99-999.99-999.99 1 0 12.08-999 ?-999 ?-999 ? C2 ADP C1001 mILE.B 85 -28.89 21.08 23.64 -29.81 20.70 23.70 -28.92 22.55 21.74 -30.13 22.61 21.59 -28.24 21.34 22.39 -28.32 20.11 21.52 3 0 10.33-999 ?-999 ?-999 ? C2 ADP C1001 mSER^B 86 -28.08 23.52 21.40 -27.12 23.33 21.61 -28.45 24.58 19.26 -27.60 23.89 18.79 -28.54 24.76 20.78 -27.65 25.91 21.27 2 0 7.09-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^B 87 -29.35 25.18 18.50 -29.96 25.80 18.99 -29.44 26.31 16.34 -30.25 27.21 16.70 -29.44 24.98 17.08 -30.76 24.22 16.69 3 0 -5.52-999 ?-999 ?-999 ? N1 ADP C1001s mVAL^B 88 -28.60 26.42 15.30 -28.00 25.62 15.18 -29.16 27.24 13.10 -28.83 26.16 12.61 -28.56 27.62 14.44 -27.11 28.12 14.22 3 0 4.31-999 ?-999 ?-999 ? N6 ADP C1001 mTHR.B 89 -30.03 28.10 12.52 -30.11 28.97 13.02 -30.37 28.78 10.15 -29.82 29.86 10.44 -30.78 27.78 11.26 -32.32 27.89 11.50 2 0 -4.43-999 ?-999 ?-999 ? N6 ADP C1001s mGLY.B 90 -30.56 28.42 8.90 -30.89 27.48 8.79 -28.86 29.32 7.32 -28.49 30.07 6.45 -30.30 29.32 7.79-999.99-999.99-999.99 1 0 7.42-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.B 91 -28.04 28.44 7.87 -28.47 27.92 8.61 -26.61 27.41 6.14 -27.30 26.39 6.04 -26.65 28.26 7.42 -25.87 27.56 8.60 3 0 9.49-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.B 92 -25.79 27.82 5.17 -25.28 28.65 5.39 -24.26 27.06 3.34 -23.39 27.82 3.74 -25.68 27.11 3.91 -26.59 27.73 2.84 3 0 13.11-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.B 93 -24.07 26.21 2.34 -24.84 25.59 2.15 -21.86 25.20 2.16 -22.22 24.31 2.93 -22.84 26.20 1.59-999.99-999.99-999.99 1 0 16.72-999 ?-999 ?-999 ? N6 ADP C1001 mARG~B 94 -20.62 25.33 1.75 -20.45 26.16 1.21 -19.24 24.43 3.53 -18.99 25.48 4.08 -19.59 24.38 2.07 -18.36 24.74 1.28 2 0 18.84-999 ?-999 ?-999 ? N6 ADP C1001 mILE~B 95 -19.15 23.26 4.14 -19.09 22.48 3.52 -17.86 23.73 6.15 -17.85 24.39 7.20 -19.15 23.17 5.60 -19.55 21.74 6.02 3 0 17.39-999 ?-999 ?-999 ? N6 ADP C1001 mSER~B 96 -16.80 23.59 5.35 -17.00 23.12 4.50 -15.53 25.59 5.93 -15.05 26.13 6.95 -15.47 24.08 5.71 -14.44 23.74 4.60 2 0 19.98-999 ?-999 ?-999 ? N6 ADP C1001 mASP~B 97 -16.18 26.23 4.98 -16.52 25.63 4.25 -17.31 28.06 6.12 -17.02 29.01 6.83 -16.40 27.65 4.97 -17.01 28.05 3.64 2 0 18.85-999 ?-999 ?-999 ? N6 ADP C1001 mVAL~B 98 -18.40 27.31 6.32 -18.55 26.58 5.65 -18.51 27.46 8.72 -18.69 28.28 9.60 -19.28 27.54 7.41 -20.47 26.53 7.39 3 0 15.17-999 ?-999 ?-999 ? N6 ADP C1001 mILE~B 99 -17.63 26.49 8.85 -17.50 25.89 8.06 -16.02 27.54 10.39 -15.98 28.03 11.51 -16.94 26.36 10.11 -16.24 25.05 10.19 3 0 16.42-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~B 100 -15.31 28.00 9.39 -15.38 27.44 8.56 -15.32 30.46 9.93 -14.91 31.22 10.84 -14.49 29.22 9.50 -13.73 29.47 8.19 2 0 18.58-999 ?-999 ?-999 ? N6 ADP C1001 mALA~B 101 -16.48 30.63 9.29 -16.64 29.93 8.59 -18.05 31.70 10.97 -18.22 32.75 11.59 -17.44 31.72 9.56 -18.53 31.73 8.48 2 0 15.88-999 ?-999 ?-999 ? N6 ADP C1001 mPHE~B 102 -18.39 30.51 11.45 -18.30 29.76 10.80 -17.78 30.79 13.80 -18.01 31.55 14.74 -18.86 30.33 12.82 -19.14 28.85 13.06 3 0 13.58-999 ?-999 ?-999 ? N6 ADP C1001 mILE~B 103 -16.60 30.27 13.58 -16.58 29.67 12.77 -15.08 32.05 14.57 -14.67 32.52 15.70 -15.44 30.55 14.42 -14.25 29.70 13.93 3 0 16.85-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~B 104 -15.27 32.81 13.49 -15.64 32.34 12.69 -16.19 35.02 13.90 -16.30 36.21 13.67 -14.96 34.23 13.50-999.99-999.99-999.99 1 0 17.92-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.B 105 -17.13 34.34 14.53 -16.90 33.38 14.74 -19.17 35.62 13.77 -20.00 36.41 14.13 -18.36 34.95 14.87-999.99-999.99-999.99 1 0 14.83-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.B 106 -18.95 35.34 12.46 -18.25 34.65 12.31 -20.36 34.99 10.36 -19.76 34.64 9.31 -19.68 36.01 11.35 -18.67 36.82 10.51 2 0 14.49-999 ?-999 ?-999 ? N6 ADP C1001 mLEU.B 107 -21.57 34.50 10.65 -21.98 34.87 11.48 -22.90 34.13 8.61 -23.39 35.23 8.76 -22.18 33.48 9.76 -23.07 32.49 10.53 3 0 11.92-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.B 108 -22.86 33.48 7.46 -22.24 32.69 7.50 -24.89 33.03 6.34 -24.89 31.80 6.10 -23.61 33.84 6.26 -22.84 33.42 5.02 2 0 12.91-999 ?-999 ?-999 ? N6 ADP C1001 mILE.B 109 -25.98 33.71 6.70 -25.85 34.70 6.78 -28.29 33.46 5.94 -28.37 34.65 5.53 -27.23 33.04 6.95 -27.70 33.33 8.38 3 0 9.98-999 ?-999 ?-999 ? N6 ADP C1001 mASP.B 110 -29.10 32.47 5.56 -28.88 31.56 5.91 -31.41 32.96 5.53 -32.05 32.03 6.01 -30.21 32.71 4.70 -30.45 31.51 3.79 2 0 10.84-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.B 111 -31.79 34.23 5.68 -31.29 34.89 5.12 -34.21 34.04 6.11 -35.19 33.88 6.86 -32.86 34.57 6.62 -32.90 36.08 6.83 3 0 9.62-999 ?-999 ?-999 ? N6 ADP C1001 mASP.B 112 -34.25 33.77 4.82 -33.38 33.87 4.34 -35.64 31.85 4.03 -36.48 31.35 3.26 -35.52 33.35 4.20 -35.67 34.06 2.87 2 0 10.55-999 ?-999 ?-999 ? O2B ADP C1001 mTRP.B 113 -34.82 31.13 4.80 -34.32 31.62 5.50 -35.93 28.92 4.79 -36.01 27.88 4.14 -34.64 29.75 4.64 -33.50 29.25 5.59 3 0 9.97-999 ?-999 ?-999 ? O2B ADP C1001 mLYS.B 114 -36.95 29.31 5.59 -36.89 30.19 6.05 -39.06 28.27 4.51 -39.55 27.20 4.09 -38.05 28.30 5.66 -38.65 28.10 7.08 2 0 -7.65-999 ?-999 ?-999 ? O1A ADP C1001s mGLU.B 115 -39.31 29.40 3.89 -39.01 30.24 4.33 -39.08 28.54 1.60 -38.09 29.07 1.08 -40.00 29.30 2.62 -40.49 30.67 2.16 2 0 10.10-999 ?-999 ?-999 ? O1B ADP C1001 mLYS.B 116 -39.43 27.26 1.37 -40.37 27.11 1.68 -38.22 24.93 1.53 -38.88 24.64 2.55 -38.53 26.18 0.73 -37.20 26.71 0.35 2 0 12.26-999 ?-999 ?-999 ? O1A ADP C1001 mMET.C 1 -17.17 27.34 27.97 -16.46 26.88 28.51 -18.98 29.04 28.05 -19.36 28.73 29.16 -18.24 28.03 27.17 -19.24 27.03 26.65 2 0 17.59-999 ?-999 ?-999 ? N1 ADP C1001 mARG^C 2 -19.18 30.24 27.53 -18.82 30.35 26.60 -21.27 31.38 27.74 -21.50 31.43 26.52 -19.85 31.30 28.27 -19.18 32.63 28.02 2 0 17.01-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 3 -22.20 31.39 28.67 -21.82 31.43 29.60 -24.30 32.58 28.97 -23.98 32.94 30.07 -23.65 31.35 28.35 -24.29 30.04 28.86 3 0 14.24-999 ?-999 ?-999 ? C2 ADP C1001 mALA^C 4 -25.19 33.24 28.25 -25.33 32.87 27.34 -27.36 34.04 29.07 -27.93 33.24 28.33 -25.90 34.40 28.80 -25.82 35.52 27.80 2 0 13.97-999 ?-999 ?-999 ? C2 ADP C1001 mILE^C 5 -27.96 34.62 30.13 -27.38 35.25 30.63 -30.07 35.58 30.94 -29.68 36.11 32.00 -29.38 34.32 30.49 -29.46 33.37 31.68 3 0 13.89-999 ?-999 ?-999 ? C2 ADP C1001 mPRO^C 6 -31.13 36.03 30.21 -31.40 35.51 29.40 -32.42 37.01 32.06 -33.14 36.03 32.28 -31.80 37.23 30.66 -32.84 37.51 29.54 3 0 14.88-999 ?-999 ?-999 ? C2 ADP C1001 mALA^C 7 -32.13 37.93 32.99 -31.54 38.66 32.65 -33.69 38.90 34.72 -33.53 40.06 34.39 -32.65 37.85 34.38 -31.51 37.98 35.41 2 0 18.34-999 ?-999 ?-999 ? C2 ADP C1001 mGLU.C 8 -34.73 38.47 35.45 -34.71 37.48 35.63 -35.23 40.50 36.80 -35.51 41.66 36.56 -35.80 39.37 35.94 -36.81 38.57 36.76 2 0 20.33-999 ?-999 ?-999 ? O2' ADP C1001 mASP.C 9 -34.46 40.13 37.81 -34.32 39.14 37.86 -32.35 40.90 38.86 -31.76 40.06 38.19 -33.87 41.07 38.76 -34.52 40.90 40.15 2 0 23.72-999 ?-999 ?-999 ? C2 ADP C1001 mASP.C 10 -31.73 41.68 39.74 -32.36 42.29 40.23 -29.73 40.37 40.65 -30.50 39.56 41.18 -30.26 41.64 39.95 -29.82 42.88 40.75 2 0 25.23-999 ?-999 ?-999 ? C2 ADP C1001 mILE.C 13 -28.07 34.26 40.04 -27.64 35.14 40.23 -29.94 32.68 40.61 -30.68 31.71 40.35 -28.71 32.96 39.76 -27.70 31.86 39.95 3 0 22.37-999 ?-999 ?-999 ? C2 ADP C1001 mLYS.C 14 -30.21 33.51 41.60 -29.57 34.27 41.70 -32.60 33.99 41.85 -33.67 34.07 42.51 -31.38 33.30 42.44 -31.16 33.80 43.88 2 0 24.65-999 ?-999 ?-999 ? C2 ADP C1001 mSER.C 15 -32.45 34.52 40.63 -31.53 34.45 40.26 -34.14 34.17 38.94 -33.69 33.03 38.85 -33.57 35.15 39.94 -33.17 36.47 39.25 2 0 22.51-999 ?-999 ?-999 ? C2 ADP C1001 mASN.C 16 -35.14 34.64 38.21 -35.42 35.57 38.44 -35.42 34.37 35.78 -35.21 35.58 35.57 -35.78 33.87 37.18 -37.30 33.94 37.34 2 0 19.66-999 ?-999 ?-999 ? O3' ADP C1001 mVAL.C 17 -35.39 33.43 34.84 -35.42 32.49 35.17 -36.38 34.83 33.15 -37.54 34.63 33.47 -35.30 33.77 33.44 -35.55 32.56 32.54 3 0 16.00-999 ?-999 ?-999 ? C2 ADP C1001 mSER.C 18 -35.99 35.95 32.56 -35.01 36.01 32.40 -37.86 36.54 30.97 -37.33 36.04 29.96 -36.98 36.98 32.18 -36.28 38.30 31.88 2 0 15.82-999 ?-999 ?-999 ? O2' ADP C1001 mLYS.C 19 -39.17 36.75 31.08 -39.43 37.31 31.87 -39.89 36.74 28.70 -40.06 36.03 27.71 -40.14 36.21 30.10 -41.60 36.47 30.52 2 0 13.63-999 ?-999 ?-999 ? O2' ADP C1001 mHIS.C 20 -39.48 38.00 28.61 -39.26 38.43 29.48 -37.93 39.08 27.23 -37.46 39.92 27.99 -39.36 38.66 27.33 -40.26 39.92 27.27 3 0 12.52-999 ?-999 ?-999 ? O2' ADP C1001 mPHE.C 21 -37.19 38.45 26.33 -37.62 37.67 25.88 -36.14 40.13 25.26 -36.89 40.09 24.23 -35.86 38.91 26.06 -35.06 37.91 25.23 3 0 12.01-999 ?-999 ?-999 ? O2' ADP C1001 mGLY.C 22 -35.60 41.23 25.72 -35.02 41.14 26.53 -36.18 43.48 26.03 -35.68 44.59 26.01 -35.88 42.47 25.00-999.99-999.99-999.99 1 0 14.12-999 ?-999 ?-999 ? O2' ADP C1001 mARG.C 23 -36.99 43.06 26.98 -37.30 42.11 26.88 -36.40 43.80 29.23 -36.46 44.60 30.16 -37.39 43.93 28.07 -38.84 43.63 28.50 2 0 16.86-999 ?-999 ?-999 ? O2' ADP C1001 mSER.C 24 -35.45 42.85 29.17 -35.38 42.37 28.30 -33.58 43.63 30.68 -32.97 44.21 29.80 -34.60 42.57 30.36 -33.86 41.24 30.25 2 0 17.78-999 ?-999 ?-999 ? O2' ADP C1001 mARG.C 25 -33.38 43.85 31.97 -33.89 43.24 32.59 -31.20 44.26 32.94 -30.21 44.96 33.07 -32.48 44.87 32.44 -33.13 45.71 33.55 2 0 21.16-999 ?-999 ?-999 ? C2 ADP C1001 mTYR^C 26 -31.25 42.96 33.22 -32.14 42.54 33.07 -29.84 40.89 32.90 -30.77 40.26 32.44 -30.11 42.19 33.69 -30.32 41.85 35.16 3 0 20.46-999 ?-999 ?-999 ? C2 ADP C1001 mPHE^C 27 -28.55 40.54 32.75 -27.92 41.26 33.05 -27.12 38.56 33.13 -26.24 39.17 33.71 -28.10 39.25 32.21 -27.47 39.42 30.82 3 0 18.01-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 28 -27.32 37.27 33.28 -28.14 36.93 32.84 -25.47 35.78 33.03 -25.95 35.12 32.12 -26.40 36.44 34.05 -27.17 35.38 34.85 3 0 18.76-999 ?-999 ?-999 ? C2 ADP C1001 mPHE^C 29 -24.15 35.97 33.17 -23.89 36.57 33.93 -22.47 34.22 33.03 -22.05 34.39 34.21 -23.18 35.34 32.28 -22.15 36.35 31.76 3 0 18.43-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 30 -22.39 33.08 32.40 -22.66 33.10 31.44 -20.79 31.25 32.36 -20.85 31.17 31.15 -21.92 31.89 33.13 -23.06 30.91 33.51 3 0 19.02-999 ?-999 ?-999 ? C2 ADP C1001 mASP^C 31 -19.71 30.91 33.03 -19.67 31.18 33.99 -18.78 28.73 32.69 -18.86 28.38 33.86 -18.67 30.18 32.34 -17.30 30.71 32.69 2 0 20.44-999 ?-999 ?-999 ? C2 ADP C1001 mILE^C 32 -18.79 27.89 31.68 -18.67 28.30 30.78 -17.84 25.76 31.20 -17.72 25.83 29.99 -18.96 26.49 31.93 -20.43 25.98 31.60 3 0 20.12-999 ?-999 ?-999 ? C2 ADP C1001 mGLU^C 33 -16.97 25.13 31.97 -17.11 25.29 32.95 -16.14 22.92 32.09 -16.13 22.80 33.31 -15.91 24.28 31.46 -14.55 24.80 31.92 2 0 22.50-999 ?-999 ?-999 ? C2 ADP C1001 mGLY.C 34 -16.32 21.91 31.26 -16.19 22.14 30.30 -18.10 20.57 32.16 -18.99 20.76 31.34 -16.66 20.58 31.74-999.99-999.99-999.99 1 0 23.21-999 ?-999 ?-999 ? C2 ADP C1001 mGLU.C 35 -18.31 20.33 33.44 -17.45 20.21 33.95 -19.58 21.21 35.24 -20.45 21.24 36.11 -19.61 20.23 34.08 -19.81 18.79 34.59 2 0 22.88-999 ?-999 ?-999 ? C2 ADP C1001 mASP^C 36 -18.53 22.03 35.24 -17.90 21.88 34.49 -18.74 24.43 35.80 -18.57 24.78 34.63 -18.34 23.05 36.27 -16.89 23.06 36.75 2 0 24.32-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 37 -19.29 25.20 36.72 -19.48 24.72 37.58 -18.40 27.38 37.08 -18.34 27.68 38.28 -19.60 26.60 36.53 -20.96 26.95 37.24 3 0 23.09-999 ?-999 ?-999 ? C2 ADP C1001 mLYS^C 38 -17.43 27.69 36.21 -17.63 27.45 35.27 -16.38 29.68 37.31 -15.55 30.07 38.15 -16.18 28.34 36.63 -15.27 28.57 35.44 2 0 25.24-999 ?-999 ?-999 ? C2 ADP C1001 mASN^C 39 -17.48 30.36 36.96 -18.13 29.81 36.42 -19.16 32.20 36.94 -19.81 31.56 36.12 -17.74 31.76 37.30 -16.77 32.66 36.54 2 0 24.82-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 40 -19.63 33.29 37.55 -19.01 33.68 38.23 -20.88 35.37 37.61 -20.29 35.76 38.61 -20.93 33.88 37.25 -22.12 33.22 38.03 3 0 23.24-999 ?-999 ?-999 ? C2 ADP C1001 mGLU^C 41 -21.49 36.21 36.78 -21.88 35.79 35.96 -22.86 38.17 36.51 -23.39 37.67 35.50 -21.57 37.62 37.08 -20.38 38.37 36.49 2 0 23.80-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 42 -23.38 39.18 37.18 -22.88 39.47 38.00 -24.23 41.17 36.12 -23.50 41.96 36.72 -24.58 39.81 36.72 -25.62 39.93 37.82 3 0 23.07-999 ?-999 ?-999 ? C2 ADP C1001 mVAL^C 43 -24.73 41.42 34.91 -25.19 40.66 34.45 -25.92 43.38 34.00 -26.84 42.72 33.45 -24.59 42.75 34.36 -23.55 42.82 33.22 3 0 22.83-999 ?-999 ?-999 ? C2 ADP C1001 mGLU^C 44 -26.01 44.67 34.32 -25.19 45.06 34.75 -27.14 46.02 32.66 -26.09 46.47 32.26 -27.20 45.44 34.05 -27.36 46.58 35.06 2 0 23.50-999 ?-999 ?-999 ? C2 ADP C1001 mVAL.C 45 -28.24 46.01 31.92 -29.02 45.51 32.30 -28.69 48.17 30.81 -29.70 48.46 31.49 -28.25 46.70 30.64 -29.06 45.96 29.55 3 0 22.05-999 ?-999 ?-999 ? C2 ADP C1001 mPRO.C 46 -27.91 49.10 30.23 -27.03 48.73 29.93 -29.75 50.64 29.52 -30.23 49.71 28.84 -28.31 50.53 30.07 -27.32 51.07 29.03 3 0 24.90-999 ?-999 ?-999 ? C2 ADP C1001 mPHE.C 47 -30.41 51.76 29.78 -29.87 52.51 30.18 -32.21 51.67 28.04 -33.16 50.94 27.78 -31.82 51.87 29.49 -32.42 53.17 29.99 3 0 25.16-999 ?-999 ?-999 ? O2' ADP C1001 mGLU.C 48 -31.56 52.33 27.08 -30.79 52.89 27.38 -31.40 51.09 24.86 -30.34 51.32 24.25 -32.07 52.17 25.69 -32.24 53.48 24.91 2 0 23.83-999 ?-999 ?-999 ? O2' ADP C1001 mGLU.C 49 -32.05 49.92 24.82 -32.80 49.87 25.48 -32.91 48.43 23.07 -33.86 47.78 23.55 -31.69 48.82 23.91 -31.13 47.60 24.64 2 0 20.37-999 ?-999 ?-999 ? O2' ADP C1001 mHIS.C 50 -32.90 48.87 21.81 -32.14 49.49 21.59 -33.43 48.95 19.50 -32.99 48.12 18.68 -33.90 48.48 20.85 -35.30 49.05 21.20 3 0 18.69-999 ?-999 ?-999 ? O2' ADP C1001 mGLY~C 53 -31.07 45.26 17.05 -32.02 45.52 16.90 -29.21 44.97 18.71 -28.85 43.94 19.29 -29.67 44.87 17.26-999.99-999.99-999.99 1 0 15.49-999 ?-999 ?-999 ? N6 ADP C1001 mASP~C 54 -29.22 46.13 19.35 -29.71 46.84 18.84 -28.30 45.14 21.66 -27.19 44.93 22.09 -28.57 46.32 20.69 -29.26 47.42 21.46 2 0 17.67-999 ?-999 ?-999 ? N1 ADP C1001 mLEU~C 55 -29.33 44.43 22.08 -30.23 44.66 21.70 -28.10 42.31 22.51 -27.22 41.89 23.24 -29.07 43.38 23.04 -30.41 42.77 23.50 3 0 15.49-999 ?-999 ?-999 ? N1 ADP C1001 mPRO~C 56 -28.30 41.81 21.26 -29.12 42.11 20.79 -25.87 41.36 20.76 -24.99 40.61 21.19 -27.31 40.88 20.71 -27.81 40.70 19.28 3 0 13.06-999 ?-999 ?-999 ? N1 ADP C1001 mASN~C 57 -25.61 42.59 20.34 -26.40 43.09 19.98 -23.72 43.24 21.86 -22.54 43.01 22.10 -24.26 43.11 20.42 -24.16 44.44 19.70 2 0 16.32-999 ?-999 ?-999 ? N1 ADP C1001 mPHE~C 58 -24.56 43.64 22.80 -25.46 43.90 22.47 -23.70 42.28 24.67 -22.77 42.17 25.43 -24.17 43.68 24.21 -25.36 44.18 25.01 3 0 17.96-999 ?-999 ?-999 ? N1 ADP C1001 mILE~C 59 -24.39 41.23 24.25 -25.15 41.48 23.66 -22.78 39.38 24.00 -21.91 38.79 24.68 -24.05 39.84 24.62 -25.26 38.92 24.31 3 0 15.38-999 ?-999 ?-999 ? N1 ADP C1001 mLYS~C 60 -22.63 39.65 22.71 -23.44 40.04 22.27 -20.22 40.13 22.72 -19.17 39.58 22.99 -21.36 39.39 22.00 -21.49 39.87 20.53 2 0 15.76-999 ?-999 ?-999 ? N1 ADP C1001 mASP~C 61 -20.45 41.41 23.00 -21.34 41.72 22.67 -18.97 41.59 24.98 -17.80 41.77 25.32 -19.50 42.27 23.73 -20.25 43.54 24.10 2 0 19.47-999 ?-999 ?-999 ? N1 ADP C1001 mHIS~C 62 -19.83 40.83 25.66 -20.74 40.77 25.24 -19.08 38.74 26.65 -18.90 37.99 27.60 -19.53 40.15 26.88 -20.71 40.19 27.80 3 0 19.49-999 ?-999 ?-999 ? N1 ADP C1001 mGLY.C 63 -18.89 38.37 25.40 -19.21 39.02 24.71 -19.11 35.84 25.16 -18.58 34.74 25.05 -18.24 37.08 25.10-999.99-999.99-999.99 1 0 18.10-999 ?-999 ?-999 ? N1 ADP C1001 mALA.C 64 -20.43 35.99 25.29 -20.76 36.93 25.28 -21.56 34.18 24.08 -21.71 34.91 23.08 -21.29 34.81 25.43 -22.58 35.15 26.14 2 0 15.01-999 ?-999 ?-999 ? N1 ADP C1001 mLYS.C 65 -21.53 32.84 24.01 -21.38 32.36 24.87 -23.10 31.53 22.67 -23.58 31.18 21.62 -21.73 32.18 22.71 -20.66 31.14 22.43 2 0 12.52-999 ?-999 ?-999 ? N1 ADP C1001 mILE^C 66 -23.73 31.37 23.82 -23.23 31.69 24.63 -25.94 31.55 24.75 -25.50 31.96 25.80 -25.06 30.76 23.83 -24.99 29.27 24.19 3 0 10.17-999 ?-999 ?-999 ? N1 ADP C1001 mVAL^C 67 -27.19 31.74 24.37 -27.42 31.32 23.50 -29.36 31.66 25.50 -29.96 31.15 24.59 -28.14 32.53 25.22 -28.61 33.80 24.51 3 0 9.37-999 ?-999 ?-999 ? C2 ADP C1001 mLEU^C 68 -29.74 31.54 26.77 -29.17 32.01 27.43 -32.00 31.73 27.49 -31.81 32.49 28.42 -30.92 30.75 27.11 -30.63 29.87 28.30 3 0 9.36-999 ?-999 ?-999 ? C2 ADP C1001 mTHR.C 69 -33.09 31.75 26.70 -33.08 31.09 25.95 -35.52 31.95 27.04 -35.66 30.80 26.66 -34.19 32.67 26.93 -34.34 33.70 25.78 2 0 9.40-999 ?-999 ?-999 ? C2 ADP C1001 mTYR.C 70 -36.52 32.66 27.51 -36.28 33.56 27.87 -38.51 32.57 26.16 -38.62 31.78 25.23 -37.87 32.13 27.49 -38.69 32.56 28.71 3 0 9.69-999 ?-999 ?-999 ? O3' ADP C1001 mGLY.C 71 -38.87 33.84 26.05 -38.74 34.41 26.86 -38.46 35.26 24.17 -37.72 35.99 24.83 -39.43 34.32 24.82-999.99-999.99-999.99 1 0 8.01-999 ?-999 ?-999 ? O2' ADP C1001 mILE.C 72 -38.47 35.30 22.85 -39.09 34.64 22.42 -38.16 36.46 20.73 -38.73 35.54 20.15 -37.63 36.25 22.14 -36.14 35.80 22.16 3 0 7.17-999 ?-999 ?-999 ? O2' ADP C1001 mGLY~C 73 -38.03 37.67 20.19 -37.60 38.35 20.78 -37.60 37.35 17.78 -36.40 37.22 18.00 -38.52 37.92 18.83-999.99-999.99-999.99 1 0 7.38-999 ?-999 ?-999 ? O2' ADP C1001 mARG~C 74 -38.13 37.03 16.61 -39.10 37.24 16.53 -36.20 37.27 15.02 -35.22 36.75 14.52 -37.30 36.41 15.55 -38.16 35.92 14.37 2 0 6.31-999 ?-999 ?-999 ? O2' ADP C1001 mARG~C 75 -36.37 38.59 15.08 -37.24 38.87 15.48 -34.13 39.44 15.42 -33.00 39.49 14.91 -35.38 39.54 14.61 -35.97 41.01 14.65 2 0 9.95-999 ?-999 ?-999 ? O3B ADP C1001 mALA~C 76 -34.32 39.30 16.72 -35.28 39.31 16.99 -32.53 37.79 17.47 -31.36 37.77 17.52 -33.23 39.13 17.66 -33.80 39.24 19.09 2 0 9.68-999 ?-999 ?-999 ? N1 ADP C1001 mILE~C 77 -33.26 36.68 17.26 -34.24 36.82 17.37 -31.76 35.45 15.69 -30.62 34.95 15.74 -32.66 35.38 16.90 -33.73 34.29 16.63 3 0 -5.90-999 ?-999 ?-999 ? N1 ADP C1001s mGLU~C 78 -32.24 36.10 14.62 -33.18 36.43 14.73 -30.14 37.10 13.68 -29.05 36.70 13.23 -31.46 36.33 13.40 -32.30 37.11 12.33 2 0 6.78-999 ?-999 ?-999 ? N6 ADP C1001 mTYR~C 79 -30.24 38.20 14.38 -31.18 38.45 14.62 -28.04 38.12 15.51 -26.86 38.18 15.23 -29.05 38.97 14.75 -29.43 40.12 15.64 3 0 9.75-999 ?-999 ?-999 ? N6 ADP C1001 mPHE~C 80 -28.50 37.32 16.46 -29.50 37.36 16.58 -26.91 35.49 16.38 -25.70 35.31 16.50 -27.62 36.47 17.25 -28.41 35.67 18.26 3 0 8.47-999 ?-999 ?-999 ? N6 ADP C1001 mASN~C 81 -27.67 34.82 15.53 -28.64 35.04 15.56 -26.11 34.40 13.64 -25.11 33.75 13.29 -27.12 33.83 14.63 -28.27 33.11 13.90 2 0 -6.56-999 ?-999 ?-999 ? N6 ADP C1001s mSER~C 82 -26.39 35.60 13.15 -27.26 36.01 13.43 -24.18 36.55 12.98 -23.16 36.68 12.32 -25.49 36.24 12.26 -26.07 37.57 11.76 2 0 9.74-999 ?-999 ?-999 ? N6 ADP C1001 mLEU~C 83 -24.23 36.72 14.31 -25.16 36.70 14.68 -22.33 35.56 15.57 -21.37 35.53 16.35 -23.00 36.90 15.12 -23.31 37.75 16.31 3 0 11.69-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.C 84 -22.84 34.44 15.08 -23.58 34.59 14.42 -22.86 32.73 16.86 -22.33 31.84 17.51 -22.35 33.13 15.48-999.99-999.99-999.99 1 0 10.47-999 ?-999 ?-999 ? N6 ADP C1001 mILE.C 85 -23.93 33.36 17.32 -24.36 34.00 16.68 -25.66 32.24 18.63 -26.59 32.59 17.85 -24.38 33.07 18.69 -24.56 34.31 19.55 3 0 9.12-999 ?-999 ?-999 ? N1 ADP C1001 mSER^C 86 -25.70 31.18 19.42 -24.92 31.09 20.05 -27.79 30.59 20.44 -27.39 31.09 21.45 -26.83 30.24 19.36 -26.39 28.80 19.57 2 0 6.25-999 ?-999 ?-999 ? N1 ADP C1001 mVAL^C 87 -29.06 30.28 20.21 -29.20 29.76 19.37 -31.07 29.50 21.44 -31.46 28.73 20.55 -30.15 30.68 21.12 -31.01 31.75 20.42 3 0 -4.60-999 ?-999 ?-999 ? C2 ADP C1001s mVAL^C 88 -31.40 29.35 22.71 -30.88 29.95 23.33 -33.60 29.17 23.70 -33.43 30.10 24.49 -32.41 28.41 23.16 -31.84 27.42 24.18 3 0 5.11-999 ?-999 ?-999 ? C2 ADP C1001 mTHR.C 89 -34.79 28.86 23.20 -34.77 28.09 22.56 -36.89 28.61 24.47 -36.61 27.39 24.58 -36.03 29.56 23.55 -36.83 29.97 22.26 2 0 5.66-999 ?-999 ?-999 ? N3 ADP C1001 mGLY.C 90 -37.90 29.18 25.11 -37.98 30.16 24.95 -38.30 27.90 27.32 -38.97 27.10 27.95 -38.81 28.40 25.98-999.99-999.99-999.99 1 0 7.38-999 ?-999 ?-999 ? O3' ADP C1001 mVAL.C 91 -37.11 28.34 27.71 -36.66 28.84 26.97 -37.09 29.04 30.14 -37.28 30.23 30.01 -36.49 28.15 29.02 -34.93 28.39 28.86 3 0 10.93-999 ?-999 ?-999 ? O3' ADP C1001 mTYR.C 92 -37.35 28.45 31.29 -37.05 27.50 31.36 -37.63 28.69 33.70 -37.02 27.63 33.83 -38.03 29.17 32.32 -39.53 29.05 32.14 3 0 13.76-999 ?-999 ?-999 ? O3' ADP C1001 mGLY.C 93 -37.93 29.49 34.72 -38.41 30.34 34.50 -36.39 29.90 36.64 -35.94 30.91 36.05 -37.56 29.10 36.07-999.99-999.99-999.99 1 0 17.53-999 ?-999 ?-999 ? O3' ADP C1001 mARG~C 94 -35.94 29.43 37.78 -36.44 28.63 38.11 -33.54 29.68 37.79 -33.21 28.50 37.54 -34.83 29.99 38.51 -34.77 29.41 39.94 2 0 20.36-999 ?-999 ?-999 ? C2 ADP C1001 mILE~C 95 -32.75 30.73 37.53 -33.06 31.60 37.91 -30.62 29.48 37.32 -30.02 28.73 36.55 -31.55 30.57 36.77 -30.87 31.92 36.50 3 0 18.70-999 ?-999 ?-999 ? C2 ADP C1001 mSER~C 96 -30.53 29.36 38.65 -31.10 29.98 39.18 -29.99 26.94 38.65 -29.13 26.16 38.28 -29.63 28.34 39.20 -29.64 28.35 40.73 2 0 21.34-999 ?-999 ?-999 ? C2 ADP C1001 mASP~C 97 -31.29 26.65 38.65 -31.88 27.39 38.97 -31.48 25.17 36.75 -30.94 24.16 36.37 -31.80 25.35 38.21 -33.31 25.31 38.38 2 0 20.43-999 ?-999 ?-999 ? C2 ADP C1001 mVAL~C 98 -31.83 26.19 35.95 -32.24 26.95 36.45 -30.20 25.87 34.13 -29.92 25.08 33.23 -31.65 26.19 34.49 -32.07 27.57 33.94 3 0 16.65-999 ?-999 ?-999 ? C2 ADP C1001 mILE~C 99 -29.27 26.42 34.92 -29.63 27.05 35.61 -27.60 24.61 34.98 -26.92 23.97 34.18 -27.84 26.08 34.74 -26.96 26.97 35.61 3 0 17.73-999 ?-999 ?-999 ? C2 ADP C1001 mLYS~C 100 -28.19 24.07 36.04 -28.72 24.70 36.60 -28.57 21.76 35.18 -27.95 20.81 34.74 -28.01 22.62 36.30 -28.60 22.21 37.66 2 0 20.00-999 ?-999 ?-999 ? C2 ADP C1001 mALA~C 101 -29.75 22.14 34.70 -30.11 22.96 35.15 -29.72 21.49 32.34 -29.77 20.56 31.57 -30.45 21.41 33.63 -31.85 21.94 33.44 2 0 17.54-999 ?-999 ?-999 ? C2 ADP C1001 mPHE~C 102 -29.09 22.64 32.07 -29.15 23.30 32.81 -27.21 22.00 30.79 -26.99 21.27 29.86 -28.39 22.88 30.79 -27.88 24.31 30.69 3 0 14.96-999 ?-999 ?-999 ? C2 ADP C1001 mILE~C 103 -26.42 22.08 31.85 -26.70 22.73 32.55 -25.53 19.70 31.90 -24.70 18.89 31.44 -25.22 21.22 31.93 -24.39 21.54 33.19 3 0 17.87-999 ?-999 ?-999 ? C2 ADP C1001 mGLY~C 104 -26.67 19.30 32.44 -27.29 20.03 32.73 -27.66 17.41 31.31 -28.01 16.22 31.19 -26.97 17.89 32.56-999.99-999.99-999.99 1 0 19.40-999 ?-999 ?-999 ? C2 ADP C1001 mGLY.C 105 -27.89 18.35 30.38 -27.55 19.26 30.63 -30.06 17.75 29.27 -30.53 16.81 28.68 -28.59 18.07 29.12-999.99-999.99-999.99 1 0 16.33-999 ?-999 ?-999 ? C2 ADP C1001 mLYS.C 106 -30.79 18.53 30.07 -30.30 19.31 30.45 -32.93 19.54 30.70 -33.42 19.73 31.83 -32.20 18.25 30.35 -32.33 17.21 31.49 2 0 16.42-999 ?-999 ?-999 ? C2 ADP C1001 mLEU.C 107 -32.96 20.43 29.73 -32.50 20.14 28.89 -35.12 21.45 29.86 -35.62 20.78 28.96 -33.63 21.72 29.89 -33.28 22.68 28.75 3 0 13.87-999 ?-999 ?-999 ? N3 ADP C1001 mLYS.C 108 -35.81 21.99 30.87 -35.25 22.39 31.59 -37.65 23.08 29.90 -37.26 24.25 30.05 -37.26 21.98 30.89 -37.73 22.27 32.29 2 0 14.16-999 ?-999 ?-999 ? O3' ADP C1001 mILE.C 109 -38.33 22.70 28.82 -38.56 21.72 28.79 -40.21 23.84 27.69 -40.94 22.86 27.62 -38.68 23.67 27.78 -38.02 23.33 26.43 3 0 10.43-999 ?-999 ?-999 ? O3' ADP C1001 mASP.C 110 -40.69 25.08 27.77 -40.00 25.76 28.03 -42.25 25.43 25.97 -42.06 26.50 25.33 -42.09 25.39 27.50 -42.40 26.72 28.14 2 0 9.56-999 ?-999 ?-999 ? O3' ADP C1001 mTYR.C 111 -42.60 24.27 25.39 -42.66 23.51 26.03 -43.90 25.15 23.38 -43.83 25.48 22.19 -42.87 24.15 23.95 -43.32 22.74 23.57 3 0 7.42-999 ?-999 ?-999 ? O3' ADP C1001 mASP.C 112 -44.83 25.60 24.23 -44.74 25.26 25.16 -45.70 27.94 24.28 -46.67 28.70 24.50 -45.91 26.50 23.80 -47.22 26.04 24.41 2 0 7.98-999 ?-999 ?-999 ? O3' ADP C1001 mTRP.C 113 -44.46 28.32 24.47 -43.76 27.63 24.28 -44.65 30.66 23.89 -45.14 31.73 24.27 -44.17 29.67 24.92 -42.66 29.84 25.20 3 0 -7.46-999 ?-999 ?-999 ? O3' ADP C1001s mLYS.C 114 -44.53 30.33 22.59 -44.23 29.38 22.45 -46.09 32.10 21.71 -46.05 33.34 21.64 -44.82 31.28 21.50 -44.88 30.62 20.12 2 0 -6.04-999 ?-999 ?-999 ? O3' ADP C1001s mGLU.C 115 -47.22 31.42 21.91 -47.20 30.44 21.71 -48.72 31.53 23.71 -49.25 30.43 23.74 -48.37 32.16 22.39 -49.54 32.22 21.38 2 0 9.67-999 ?-999 ?-999 ? O3' ADP C1001 mLYS.C 116 -48.22 32.18 24.76 -47.51 32.83 24.49 -48.45 33.38 26.85 -48.01 34.35 26.22 -48.64 32.02 26.16 -47.80 30.99 26.92 2 0 11.78-999 ?-999 ?-999 ? O3' ADP C1001 mMET.D 1 -10.28 43.63 19.80 -9.82 42.75 19.71 -11.76 45.35 18.74 -11.88 44.56 17.78 -10.96 44.96 19.94 -10.05 46.08 20.48 2 0 26.64-999 ?-999 ?-999 ? N6 ADP C1001 mARG^D 2 -12.61 46.36 18.84 -12.65 46.84 19.72 -13.27 48.15 17.51 -13.47 48.88 18.47 -13.40 46.66 17.67 -14.85 46.24 17.89 2 0 25.46-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 3 -12.89 48.58 16.34 -12.76 47.85 15.67 -13.68 50.45 15.02 -13.92 49.70 14.08 -12.67 50.02 16.10 -11.23 50.28 15.59 3 0 28.20-999 ?-999 ?-999 ? N6 ADP C1001 mALA^D 4 -14.29 51.61 15.23 -14.09 51.98 16.13 -14.52 53.47 13.53 -13.83 54.35 14.16 -15.17 52.28 14.24 -16.54 52.72 14.92 2 0 28.27-999 ?-999 ?-999 ? N6 ADP C1001 mILE^D 5 -14.74 53.53 12.21 -15.25 52.75 11.85 -15.44 55.12 10.56 -16.04 54.28 9.84 -14.25 54.64 11.39 -13.16 54.16 10.43 3 0 30.91-999 ?-999 ?-999 ? N6 ADP C1001 mPRO^D 6 -15.80 56.43 10.66 -15.26 56.96 11.32 -16.43 57.15 8.39 -15.32 57.60 8.15 -16.88 57.03 9.85 -17.05 58.45 10.44 3 0 31.71-999 ?-999 ?-999 ? N6 ADP C1001 mALA^D 7 -17.23 56.64 7.46 -18.10 56.29 7.83 -17.60 57.77 5.36 -18.75 58.08 5.73 -16.88 56.61 6.05 -17.27 55.26 5.42 2 0 32.18-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.D 8 -16.92 58.46 4.44 -15.99 58.11 4.27 -18.65 59.21 2.78 -19.61 59.94 2.59 -17.53 59.63 3.76 -16.51 60.52 3.06 2 0 35.12-999 ?-999 ?-999 ? N6 ADP C1001 mASP.D 9 -18.55 58.01 2.23 -17.73 57.50 2.49 -19.77 56.02 1.55 -19.22 55.43 2.46 -19.57 57.49 1.34 -19.16 57.73 -0.10 2 0 33.38-999 ?-999 ?-999 ? N6 ADP C1001 mASP.D 10 -20.56 55.42 0.66 -20.83 56.00 -0.10 -19.90 53.03 0.37 -20.13 51.82 0.43 -20.97 54.03 0.81 -22.28 53.80 0.05 2 0 30.26-999 ?-999 ?-999 ? N6 ADP C1001 mARG~D 11 -18.72 53.53 -0.04 -18.67 54.52 -0.03 -17.00 51.75 0.60 -16.17 50.90 0.27 -17.61 52.66 -0.47 -16.53 53.44 -1.21 2 0 31.23-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~D 12 -17.37 51.88 1.87 -18.09 52.56 2.03 -15.20 51.23 3.09 -14.72 52.34 3.30 -16.72 51.02 2.91-999.99-999.99-999.99 1 0 28.94-999 ?-999 ?-999 ? N6 ADP C1001 mILE~D 13 -14.44 50.13 2.98 -14.95 49.31 2.71 -12.28 50.84 2.09 -11.15 51.29 2.24 -13.01 50.13 3.21 -12.56 48.66 3.33 3 0 30.37-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~D 14 -12.96 50.97 0.94 -13.78 50.40 0.89 -12.88 53.35 0.10 -12.42 54.24 -0.63 -12.53 51.88 -0.15 -13.15 51.45 -1.48 2 0 33.25-999 ?-999 ?-999 ? N6 ADP C1001 mSER~D 15 -13.71 53.63 1.08 -14.05 52.83 1.58 -12.92 55.75 2.09 -11.95 55.10 2.49 -14.05 55.07 1.32 -15.38 55.21 2.05 2 0 34.01-999 ?-999 ?-999 ? N6 ADP C1001 mASN.D 16 -13.01 57.07 2.20 -13.72 57.49 1.64 -12.73 58.17 4.41 -13.90 58.20 4.58 -12.13 57.81 3.07 -11.62 59.03 2.34 2 0 36.50-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.D 17 -11.88 58.42 5.38 -10.91 58.31 5.16 -13.24 60.07 6.41 -12.81 60.99 5.72 -12.38 58.83 6.66 -11.24 59.07 7.65 3 0 36.16-999 ?-999 ?-999 ? N6 ADP C1001 mSER.D 18 -14.47 60.09 6.93 -14.77 59.25 7.38 -14.68 62.53 7.52 -14.34 62.45 8.72 -15.27 61.31 6.78 -16.73 61.11 7.20 2 0 36.74-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.D 19 -14.60 63.64 6.80 -14.99 63.57 5.88 -14.79 65.25 8.54 -14.23 65.77 9.49 -14.01 64.85 7.32 -13.96 65.97 6.26 2 0 40.26-999 ?-999 ?-999 ? N6 ADP C1001 mHIS.D 20 -16.10 64.97 8.52 -16.40 64.47 7.72 -17.66 64.19 10.16 -18.36 63.49 9.46 -16.99 65.38 9.58 -18.09 66.25 9.04 3 0 39.11-999 ?-999 ?-999 ? N6 ADP C1001 mPHE.D 21 -17.46 63.98 11.44 -16.80 64.58 11.90 -19.56 63.55 12.29 -19.72 64.77 12.46 -18.16 62.94 12.10 -17.48 62.65 13.42 3 0 36.16-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 22 -20.60 62.78 12.31 -20.48 61.80 12.18 -22.55 63.67 11.18 -23.76 63.41 11.12 -21.83 63.53 12.51-999.99-999.99-999.99 1 0 35.41-999 ?-999 ?-999 ? N6 ADP C1001 mARG.D 23 -21.82 63.99 10.10 -20.87 64.28 10.27 -22.50 62.46 8.23 -23.38 62.10 7.38 -22.47 63.90 8.77 -21.88 64.90 7.81 2 0 36.03-999 ?-999 ?-999 ? N6 ADP C1001 mSER.D 24 -21.63 61.65 8.79 -21.13 62.06 9.55 -22.69 59.41 8.38 -23.46 59.39 9.36 -21.41 60.30 8.38 -20.29 59.68 9.22 2 0 33.05-999 ?-999 ?-999 ? N6 ADP C1001 mARG.D 25 -22.91 58.70 7.29 -22.21 58.81 6.58 -23.68 56.37 7.05 -24.56 55.49 6.96 -24.08 57.86 7.17 -25.00 58.34 6.03 2 0 30.27-999 ?-999 ?-999 ? N6 ADP C1001 mTYR^D 26 -22.38 56.10 7.10 -21.79 56.91 7.14 -20.73 54.66 8.07 -19.92 55.63 8.19 -21.87 54.74 7.09 -21.35 54.38 5.72 3 0 28.15-999 ?-999 ?-999 ? N6 ADP C1001 mPHE^D 27 -20.63 53.51 8.74 -21.40 52.88 8.62 -18.88 51.88 9.26 -19.61 50.89 9.07 -19.48 53.25 9.57 -19.84 53.38 11.05 3 0 27.26-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 28 -17.54 51.85 9.24 -17.11 52.74 9.38 -16.28 50.17 10.40 -15.58 50.92 11.11 -16.76 50.64 9.02 -15.55 50.97 8.18 3 0 26.66-999 ?-999 ?-999 ? N6 ADP C1001 mPHE^D 29 -16.74 49.01 10.84 -17.41 48.56 10.24 -15.20 47.38 11.80 -15.41 46.50 10.97 -16.26 48.46 12.10 -17.40 47.88 12.89 3 0 24.76-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 30 -14.06 47.47 12.48 -14.07 48.19 13.17 -12.54 45.81 13.49 -12.13 46.39 14.51 -12.90 46.59 12.22 -11.70 47.43 11.81 3 0 25.79-999 ?-999 ?-999 ? N6 ADP C1001 mASP^D 31 -12.73 44.49 13.45 -13.14 44.14 12.61 -10.88 43.35 14.45 -10.48 42.75 13.49 -12.34 43.67 14.56 -13.15 42.40 14.58 2 0 24.29-999 ?-999 ?-999 ? N6 ADP C1001 mILE^D 32 -10.11 43.79 15.44 -10.64 44.28 16.13 -8.28 42.69 16.70 -8.58 43.01 17.84 -8.65 43.58 15.52 -7.85 44.97 15.51 3 0 27.36-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^D 33 -7.67 41.53 16.41 -7.57 41.39 15.43 -5.72 40.20 17.19 -5.33 39.77 16.11 -7.20 40.57 17.43 -8.09 39.32 17.46 2 0 27.40-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 34 -4.87 40.45 18.16 -5.28 40.84 18.99 -2.79 40.97 16.86 -1.83 40.49 16.17 -3.44 40.17 17.98-999.99-999.99-999.99 1 0 30.79-999 ?-999 ?-999 ? N6 ADP C1001 mGLU.D 35 -3.24 42.21 16.74 -3.82 42.51 17.50 -3.25 42.51 14.20 -2.67 42.96 13.20 -2.94 43.05 15.61 -1.53 43.60 15.79 2 0 32.19-999 ?-999 ?-999 ? N6 ADP C1001 mASP^D 36 -4.20 41.58 14.12 -4.51 41.24 15.00 -6.17 41.45 12.69 -6.92 41.23 13.63 -4.70 41.12 12.81 -4.58 39.61 12.64 2 0 29.88-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 37 -6.57 41.94 11.52 -5.81 42.15 10.91 -8.68 40.79 11.10 -8.29 39.98 10.27 -8.01 42.15 11.20 -8.20 42.88 9.87 3 0 27.48-999 ?-999 ?-999 ? N6 ADP C1001 mLYS^D 38 -9.66 40.57 11.95 -9.81 41.33 12.58 -11.73 39.44 11.18 -12.17 38.43 10.61 -10.44 39.35 12.00 -10.76 39.02 13.47 2 0 24.01-999 ?-999 ?-999 ? N6 ADP C1001 mASN^D 39 -12.34 40.63 11.13 -11.88 41.33 11.67 -13.69 42.33 10.03 -13.20 43.20 10.79 -13.58 40.87 10.37 -14.81 40.52 11.20 2 0 22.20-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 40 -14.34 42.61 8.89 -14.59 41.81 8.35 -16.13 44.03 8.13 -16.63 43.15 7.44 -14.64 43.98 8.50 -13.69 44.51 7.36 3 0 23.53-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^D 41 -16.83 45.03 8.65 -16.38 45.55 9.38 -18.59 46.77 8.19 -18.32 47.48 9.16 -18.17 45.32 8.15 -19.19 44.53 8.94 2 0 22.05-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 42 -19.35 47.15 7.18 -19.49 46.45 6.48 -21.38 48.40 7.48 -22.11 47.43 7.13 -19.91 48.50 7.10 -19.69 49.15 5.71 3 0 23.76-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 43 -21.80 49.38 8.27 -21.09 50.04 8.53 -23.65 50.89 8.51 -22.92 51.88 8.67 -23.17 49.47 8.72 -23.37 49.02 10.20 3 0 22.56-999 ?-999 ?-999 ? N6 ADP C1001 mGLU^D 44 -24.90 50.97 8.07 -25.33 50.07 8.01 -26.17 52.79 8.96 -26.82 52.06 9.69 -25.55 52.24 7.72 -26.61 51.99 6.66 2 0 24.53-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.D 45 -25.92 54.07 9.21 -25.27 54.51 8.59 -28.04 54.76 9.97 -28.49 55.39 8.98 -26.52 54.77 10.29 -25.93 56.21 10.43 3 0 26.07-999 ?-999 ?-999 ? N6 ADP C1001 mPRO.D 46 -28.84 54.01 10.79 -28.39 53.51 11.53 -30.98 55.31 10.99 -32.19 55.33 11.17 -30.28 54.01 10.51 -30.79 52.75 11.21 3 0 24.72-999 ?-999 ?-999 ? N6 ADP C1001 mPHE.D 47 -30.22 56.41 11.12 -29.26 56.29 10.88 -31.08 58.68 10.51 -31.15 59.89 10.84 -30.78 57.67 11.58 -29.84 58.37 12.60 3 0 28.14-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 51 -30.61 63.92 18.25 -31.07 63.59 17.43 -28.45 64.07 19.51 -28.01 63.10 18.86 -29.93 64.41 19.47-999.99-999.99-999.99 1 0 34.90-999 ?-999 ?-999 ? O2' ADP C1001 mPRO.D 52 -27.66 64.82 20.29 -28.12 65.51 20.85 -25.72 63.28 20.89 -24.51 63.03 20.97 -26.21 64.61 20.28 -25.62 65.89 20.91 3 0 35.76-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~D 53 -26.65 62.35 21.12 -27.58 62.57 20.82 -26.59 59.95 20.86 -26.15 58.85 21.10 -26.31 61.10 21.77-999.99-999.99-999.99 1 0 32.56-999 ?-999 ?-999 ? N1 ADP C1001 mASP~D 54 -27.30 60.22 19.78 -27.65 61.16 19.73 -26.40 58.45 18.19 -26.37 57.20 18.26 -27.57 59.27 18.76 -28.33 59.98 17.64 2 0 30.12-999 ?-999 ?-999 ? N6 ADP C1001 mLEU~D 55 -25.45 59.14 17.58 -25.58 60.13 17.59 -23.42 57.77 17.99 -22.98 56.67 17.76 -24.33 58.46 16.96 -23.53 59.43 16.08 3 0 29.83-999 ?-999 ?-999 ? N6 ADP C1001 mPRO~D 56 -23.10 58.45 19.11 -23.43 59.39 19.17 -22.99 56.43 20.60 -22.36 55.36 20.67 -22.28 57.73 20.13 -22.17 58.70 21.28 3 0 30.14-999 ?-999 ?-999 ? N6 ADP C1001 mASN~D 57 -24.30 56.52 20.87 -24.68 57.43 20.72 -25.03 54.33 20.22 -24.85 53.19 20.49 -25.07 55.36 21.35 -26.50 55.76 21.71 2 0 27.28-999 ?-999 ?-999 ? N1 ADP C1001 mPHE~D 58 -25.18 54.76 18.97 -25.37 55.74 18.90 -23.75 53.09 17.81 -23.67 51.89 17.56 -25.08 53.86 17.82 -25.25 54.66 16.50 3 0 25.30-999 ?-999 ?-999 ? N6 ADP C1001 mILE~D 59 -22.69 53.80 18.10 -22.86 54.74 18.39 -21.11 52.27 19.20 -20.67 51.11 19.02 -21.38 53.19 18.00 -20.30 54.25 17.65 3 0 26.00-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~D 60 -21.42 52.75 20.40 -21.70 53.71 20.40 -22.14 50.63 21.40 -21.72 49.58 21.81 -21.35 51.92 21.59 -21.92 52.68 22.78 2 0 25.50-999 ?-999 ?-999 ? N1 ADP C1001 mASP~D 61 -23.34 50.74 20.83 -23.55 51.66 20.51 -23.82 48.65 19.56 -24.42 47.61 19.34 -24.24 49.58 20.70 -25.68 50.03 20.54 2 0 22.06-999 ?-999 ?-999 ? N1 ADP C1001 mHIS.D 62 -22.77 49.01 18.87 -22.46 49.95 19.01 -20.87 47.45 18.48 -20.23 46.70 17.74 -22.13 48.07 18.00 -21.98 48.62 16.61 3 0 21.14-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 63 -20.52 47.72 19.73 -21.10 48.40 20.16 -18.03 47.76 20.18 -17.02 47.22 20.58 -19.39 47.07 20.40-999.99-999.99-999.99 1 0 22.25-999 ?-999 ?-999 ? N6 ADP C1001 mALA.D 64 -18.02 48.94 19.56 -18.93 49.28 19.33 -16.17 50.31 20.50 -16.87 51.00 21.28 -16.76 49.68 19.26 -17.00 50.74 18.25 2 0 25.60-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.D 65 -14.87 50.11 20.69 -14.42 49.56 19.99 -13.43 51.95 21.59 -13.12 52.73 22.49 -14.21 50.71 21.89 -13.27 49.69 22.54 2 0 28.49-999 ?-999 ?-999 ? N1 ADP C1001 mILE^D 66 -13.04 52.09 20.33 -13.33 51.33 19.75 -12.86 53.74 18.52 -13.36 52.95 17.71 -12.25 53.24 19.83 -10.85 52.74 19.54 3 0 31.22-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 67 -12.81 55.05 18.31 -12.39 55.57 19.05 -12.22 56.40 16.43 -11.53 57.23 17.09 -13.34 55.65 17.08 -14.53 56.61 17.34 3 0 32.13-999 ?-999 ?-999 ? N6 ADP C1001 mLEU^D 68 -11.99 56.13 15.14 -12.57 55.41 14.75 -11.62 57.86 13.48 -12.34 57.52 12.52 -10.98 56.84 14.39 -10.17 55.90 13.54 3 0 34.44-999 ?-999 ?-999 ? N6 ADP C1001 mTHR.D 69 -11.35 59.13 13.74 -10.75 59.34 14.51 -11.06 61.18 12.49 -9.88 61.20 12.85 -11.97 60.08 12.90 -13.22 60.66 13.56 2 0 36.53-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.D 70 -11.64 62.13 11.77 -12.59 61.97 11.51 -11.42 64.40 12.30 -10.77 64.77 13.27 -10.90 63.28 11.40 -11.03 63.59 9.89 3 0 39.90-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 71 -12.59 64.95 11.97 -13.04 64.61 11.14 -14.32 65.49 13.56 -15.02 64.58 13.15 -13.14 65.99 12.80-999.99-999.99-999.99 1 0 41.01-999 ?-999 ?-999 ? N6 ADP C1001 mILE.D 72 -14.57 66.11 14.70 -13.97 66.87 14.93 -15.90 66.75 16.50 -14.93 67.43 16.87 -15.67 65.66 15.51 -15.37 64.25 16.20 3 0 39.54-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~D 73 -17.17 66.96 16.86 -17.80 66.35 16.38 -17.25 67.55 19.26 -17.08 66.36 19.56 -17.60 67.96 17.85-999.99-999.99-999.99 1 0 41.01-999 ?-999 ?-999 ? N6 ADP C1001 mARG~D 74 -17.07 68.54 20.13 -17.30 69.45 19.78 -17.64 67.53 22.28 -17.33 66.68 23.14 -16.58 68.29 21.48 -16.20 69.62 22.13 2 0 42.10-999 ?-999 ?-999 ? N6 ADP C1001 mARG~D 75 -18.90 67.80 21.96 -19.00 68.50 21.26 -19.99 65.61 22.30 -20.18 64.79 23.17 -20.01 67.13 22.61 -21.34 67.81 22.17 2 0 40.06-999 ?-999 ?-999 ? N6 ADP C1001 mALA~D 76 -19.74 65.27 21.04 -19.61 66.03 20.40 -18.48 63.17 21.40 -18.65 62.06 21.92 -19.66 63.86 20.66 -19.53 63.75 19.22 2 0 36.79-999 ?-999 ?-999 ? N6 ADP C1001 mILE~D 77 -17.31 63.83 21.45 -17.30 64.68 20.91 -16.51 63.15 23.69 -16.18 62.15 24.30 -16.14 63.34 22.23 -14.90 64.28 22.13 3 0 37.95-999 ?-999 ?-999 ? N6 ADP C1001 mGLU~D 78 -17.21 64.11 24.27 -17.35 64.92 23.70 -18.56 62.73 25.87 -18.32 61.97 26.76 -17.71 63.95 25.65 -18.52 65.20 26.07 2 0 38.50-999 ?-999 ?-999 ? N1 ADP C1001 mTYR~D 79 -19.62 62.58 25.07 -19.71 63.29 24.38 -19.87 60.11 24.98 -20.12 59.11 25.70 -20.56 61.46 25.24 -21.80 61.65 24.34 3 0 35.12-999 ?-999 ?-999 ? N1 ADP C1001 mPHE~D 80 -18.99 60.08 23.99 -18.90 60.92 23.45 -17.50 58.48 25.01 -17.54 57.35 25.46 -18.25 58.85 23.74 -17.24 59.03 22.59 3 0 33.35-999 ?-999 ?-999 ? N1 ADP C1001 mASN~D 81 -16.76 59.46 25.56 -16.82 60.35 25.11 -16.80 58.72 27.91 -16.44 57.75 28.57 -15.96 59.20 26.72 -15.08 60.44 27.09 2 0 35.39-999 ?-999 ?-999 ? N1 ADP C1001 mSER~D 82 -17.93 59.39 28.15 -18.04 60.21 27.60 -19.37 57.47 28.93 -19.74 56.78 29.90 -18.91 58.91 29.15 -20.13 59.81 29.22 2 0 34.61-999 ?-999 ?-999 ? N1 ADP C1001 mLEU~D 83 -19.37 57.02 27.67 -19.06 57.69 27.00 -18.58 54.75 27.42 -18.67 53.60 27.16 -19.77 55.67 27.31 -20.34 55.62 25.89 3 0 30.89-999 ?-999 ?-999 ? N1 ADP C1001 mGLY.D 84 -17.42 55.30 27.76 -17.43 56.29 27.87 -15.56 54.24 26.62 -14.81 53.21 26.46 -16.24 54.50 27.95-999.99-999.99-999.99 1 0 31.79-999 ?-999 ?-999 ? N1 ADP C1001 mILE.D 85 -15.76 55.17 25.68 -16.32 55.94 25.98 -14.22 56.19 24.01 -14.51 57.33 24.31 -15.18 55.05 24.31 -16.27 55.03 23.17 3 0 31.77-999 ?-999 ?-999 ? N1 ADP C1001 mSER^D 86 -13.09 55.88 23.38 -13.03 54.92 23.09 -12.04 57.20 21.70 -12.36 56.38 20.92 -12.04 56.90 23.17 -10.69 56.32 23.61 2 0 34.81-999 ?-999 ?-999 ? N1 ADP C1001 mVAL^D 87 -11.65 58.41 21.33 -11.30 58.95 22.09 -10.36 59.38 19.55 -9.63 59.99 20.37 -11.74 58.89 19.96 -12.76 60.03 19.86 3 0 35.98-999 ?-999 ?-999 ? N6 ADP C1001 mVAL^D 88 -9.97 59.12 18.33 -10.64 58.57 17.82 -9.11 60.60 16.73 -9.97 60.27 15.91 -8.68 59.59 17.79 -7.93 58.39 17.17 3 0 38.12-999 ?-999 ?-999 ? N6 ADP C1001 mTHR.D 89 -8.54 61.80 16.73 -7.88 61.94 17.47 -7.72 63.08 14.76 -6.59 62.66 15.01 -8.88 62.80 15.73 -9.25 64.11 16.45 2 0 40.48-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 90 -7.96 63.82 13.66 -8.91 64.10 13.54 -6.42 62.99 11.80 -5.43 63.12 11.03 -6.85 64.14 12.73-999.99-999.99-999.99 1 0 42.80-999 ?-999 ?-999 ? N6 ADP C1001 mVAL.D 91 -7.16 61.88 11.85 -7.86 61.92 12.57 -7.65 60.99 9.61 -8.84 61.34 9.52 -7.01 60.72 10.97 -7.74 59.46 11.62 3 0 40.14-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.D 92 -6.88 60.81 8.54 -5.96 60.48 8.73 -6.96 60.00 6.27 -6.07 59.23 6.60 -7.40 61.10 7.20 -6.88 62.47 6.73 3 0 40.73-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 93 -7.59 59.92 5.11 -8.40 60.51 5.05 -8.14 57.92 3.74 -9.26 57.89 4.26 -7.15 59.04 4.03-999.99-999.99-999.99 1 0 40.08-999 ?-999 ?-999 ? N6 ADP C1001 mARG~D 94 -7.68 56.95 2.95 -6.74 57.09 2.63 -8.52 54.80 3.73 -7.52 54.43 4.33 -8.47 55.81 2.58 -7.91 55.20 1.30 2 0 37.37-999 ?-999 ?-999 ? N6 ADP C1001 mILE~D 95 -9.73 54.37 4.03 -10.45 54.59 3.37 -9.02 52.41 5.26 -8.46 52.13 6.32 -9.95 53.63 5.20 -11.48 53.30 5.41 3 0 34.08-999 ?-999 ?-999 ? N6 ADP C1001 mSER~D 96 -8.81 51.72 4.13 -9.27 52.09 3.33 -6.52 50.83 4.58 -5.89 50.08 5.36 -7.94 50.51 4.13 -7.95 49.78 2.77 2 0 33.73-999 ?-999 ?-999 ? N6 ADP C1001 mASP~D 97 -6.01 51.97 4.10 -6.63 52.45 3.48 -4.53 52.78 5.97 -3.56 52.41 6.63 -4.66 52.47 4.46 -4.34 53.74 3.65 2 0 37.24-999 ?-999 ?-999 ? N6 ADP C1001 mVAL~D 98 -5.55 53.41 6.49 -6.21 53.68 5.79 -5.75 52.49 8.85 -5.12 52.49 9.91 -5.69 53.69 7.95 -6.92 54.56 8.18 3 0 36.43-999 ?-999 ?-999 ? N6 ADP C1001 mILE~D 99 -6.50 51.46 8.44 -7.05 51.65 7.63 -5.10 49.59 9.31 -4.70 49.18 10.41 -6.49 50.18 9.15 -7.31 49.11 8.44 3 0 33.38-999 ?-999 ?-999 ? N6 ADP C1001 mLYS~D 100 -4.33 49.53 8.24 -4.67 49.92 7.39 -2.06 49.84 9.17 -1.22 49.38 9.92 -3.04 48.91 8.43 -2.54 48.28 7.14 2 0 35.53-999 ?-999 ?-999 ? N6 ADP C1001 mALA~D 101 -2.25 51.15 9.03 -3.00 51.39 8.41 -1.77 52.15 11.24 -0.93 52.48 12.07 -1.43 52.13 9.74 -1.61 53.51 9.15 2 0 38.44-999 ?-999 ?-999 ? N6 ADP C1001 mPHE~D 102 -3.02 51.83 11.57 -3.64 51.71 10.80 -2.71 50.46 13.53 -2.11 50.52 14.60 -3.43 51.69 12.95 -4.94 51.52 13.03 3 0 36.27-999 ?-999 ?-999 ? N6 ADP C1001 mILE~D 103 -2.82 49.36 12.82 -3.39 49.47 12.00 -0.64 48.21 13.28 -0.08 47.72 14.25 -2.19 48.11 13.18 -2.64 46.97 12.27 3 0 35.26-999 ?-999 ?-999 ? N6 ADP C1001 mGLY~D 104 0.01 48.86 12.31 -0.56 49.10 11.53 1.76 50.24 13.48 2.88 50.73 13.54 1.45 49.17 12.44-999.99-999.99-999.99 1 0 38.97-999 ?-999 ?-999 ? N6 ADP C1001 mGLY.D 105 0.80 50.64 14.29 -0.04 50.11 14.24 0.89 53.11 14.45 -0.07 53.85 14.63 1.03 51.79 15.18-999.99-999.99-999.99 1 0 39.91-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.D 106 1.80 53.39 13.57 2.44 52.62 13.46 0.73 55.20 12.10 0.68 55.11 10.84 1.94 54.62 12.82 2.93 54.37 11.69 2 0 42.32-999 ?-999 ?-999 ? N6 ADP C1001 mLEU.D 107 -0.20 55.83 12.82 -0.15 55.69 13.81 -0.68 58.00 11.65 0.11 58.69 12.33 -1.22 56.67 12.15 -2.41 56.94 13.05 3 0 41.17-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.D 108 -1.17 58.40 10.49 -1.81 57.76 10.07 -1.85 60.65 10.39 -3.00 60.62 9.92 -0.82 59.67 9.89 -0.89 59.57 8.36 2 0 43.68-999 ?-999 ?-999 ? N6 ADP C1001 mILE.D 109 -1.45 61.52 11.30 -0.47 61.53 11.51 -2.20 63.83 11.50 -1.08 64.33 11.55 -2.36 62.38 11.94 -2.12 62.38 13.45 3 0 44.34-999 ?-999 ?-999 ? N6 ADP C1001 mASP.D 110 -3.28 64.57 11.20 -4.15 64.09 11.12 -3.47 66.82 12.24 -4.67 67.00 12.56 -3.03 66.02 11.03 -3.52 66.57 9.69 2 0 46.73-999 ?-999 ?-999 ? N6 ADP C1001 mTYR.D 111 -2.44 67.26 12.96 -1.56 67.25 12.49 -3.28 69.01 14.29 -3.85 69.44 15.28 -2.60 67.70 14.32 -1.27 67.84 14.99 3 0 48.15-999 ?-999 ?-999 ? N6 ADP C1001 mASP.D 112 -3.26 69.64 13.13 -2.75 69.16 12.41 -5.19 70.83 12.16 -5.34 71.51 11.14 -3.93 70.94 12.97 -3.02 71.97 12.29 2 0 50.02-999 ?-999 ?-999 ? N6 ADP C1001 mTRP.D 113 -6.13 69.99 12.61 -5.91 69.54 13.47 -8.45 70.68 12.39 -9.41 70.97 11.67 -7.36 69.78 11.86 -7.86 68.31 11.94 3 0 47.23-999 ?-999 ?-999 ? N6 ADP C1001 mLYS.D 114 -8.35 71.07 13.65 -7.53 70.69 14.09 -9.69 73.26 13.60 -9.34 73.44 12.41 -9.33 71.95 14.33 -8.78 72.36 15.67 2 0 48.01-999 ?-999 ?-999 ? N6 ADP C1001