HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-OCT-08 3EZ0 COMPND UNCHARACTERIZED PROTEIN WITH FERRITIN-LIKE FOLD; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP. FB24; SOURCE 3 ORGANISM_TAXID: 290399; SOURCE 4 GENE: YP_832262.1, ARTH_2783; 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 21 8 HET MSE A 22 8 HET MSE A 70 8 HET MSE A 78 8 HET MSE A 102 8 HET MSE A 217 8 HET MSE B 21 8 HET MSE B 22 8 HET MSE B 70 8 HET MSE B 78 8 HET MSE B 102 8 HET MSE B 217 8 HET MSE C 21 8 HET MSE C 22 8 HET MSE C 70 8 HET MSE C 78 8 HET MSE C 102 8 HET MSE C 217 8 HET MSE D 21 8 HET MSE D 22 8 HET MSE D 70 8 HET MSE D 78 8 HET MSE D 102 8 HET MSE D 217 8 HET UNL A 500 18 HET TLA B 225 10 HET UNL B 500 22 HET EDO B 226 4 HET UNL D 500 22 HET UNL C 500 22 SITE 1 AC1 8 ARG A 38 ARG B 32 SER B 90 ARG B 93 SITE 1 AC2 7 TYR B 39 ARG B 93 PRO B 94 TYR D 39 SITE 1 AC3 9 MSE A 21 MSE A 22 GLU A 26 GLU A 56 SITE 1 AC4 7 GLU B 26 GLU B 56 HIS B 59 VAL B 110 SITE 1 AC5 11 MSE D 21 MSE D 22 GLY D 25 GLU D 26 SITE 1 AC6 11 MSE C 21 MSE C 22 GLU C 26 GLU C 56 mTHR.A 3 24.83 103.34 46.49 25.34 103.27 45.63 24.58 104.67 48.54 25.79 104.93 48.62 24.08 103.45 47.78 24.24 102.18 48.64 2 0 27.40-999 ?-999 ?-999 ? O1 UNL A 500 mSER~A 4 23.63 105.46 49.06 22.70 105.14 48.88 23.70 106.43 51.30 23.00 105.50 51.67 23.94 106.67 49.81 23.10 107.85 49.32 2 0 28.14-999 ?-999 ?-999 ? O1 UNL A 500 mPRO~A 5 24.36 107.22 52.16 25.07 107.81 51.75 22.50 107.26 53.86 22.01 106.56 54.75 24.03 107.19 53.58 24.76 108.42 54.12 3 0 26.97-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 6 21.77 108.07 53.08 22.30 108.61 52.43 19.68 106.78 52.83 18.74 106.35 53.50 20.33 108.14 53.17 19.79 109.24 52.26 2 0 25.62-999 ?-999 ?-999 ? O1 UNL A 500 mASP~A 7 20.19 106.11 51.80 20.94 106.58 51.33 19.87 103.77 52.53 18.98 102.97 52.83 19.68 104.78 51.41 20.40 104.27 50.15 2 0 23.65-999 ?-999 ?-999 ? O1 UNL A 500 mTHR~A 8 21.04 103.82 53.15 21.65 104.53 52.80 20.64 103.25 55.52 20.20 102.34 56.24 21.40 102.92 54.24 22.91 102.96 54.51 2 0 22.20-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 9 20.49 104.54 55.79 20.94 105.15 55.14 18.26 104.57 56.84 17.66 104.18 57.84 19.73 105.02 56.94 19.81 106.52 57.03 2 0 21.66-999 ?-999 ?-999 ? O1 UNL A 500 mARG~A 10 17.73 104.60 55.62 18.35 104.96 54.92 16.25 102.63 55.47 15.34 102.11 56.11 16.36 104.16 55.35 15.97 104.65 53.94 2 0 19.70-999 ?-999 ?-999 ? O1 UNL A 500 mTYR~A 11 17.18 101.91 54.87 17.83 102.45 54.32 17.23 100.04 56.50 16.48 99.14 56.89 17.24 100.46 55.01 18.46 99.90 54.27 3 0 17.65-999 ?-999 ?-999 ? O1 UNL A 500 mASN~A 12 18.05 100.71 57.31 18.64 101.36 56.84 16.72 100.69 59.45 16.39 99.96 60.38 18.08 100.47 58.77 19.14 101.34 59.46 2 0 16.83-999 ?-999 ?-999 ? O1 UNL A 500 mARG~A 13 15.94 101.67 58.98 16.33 102.20 58.23 13.62 100.81 59.17 12.73 100.50 59.96 14.61 101.91 59.54 14.04 103.27 59.12 2 0 15.67-999 ?-999 ?-999 ? O1 UNL A 500 mPHE~A 14 13.72 100.27 57.94 14.41 100.70 57.35 13.23 97.88 58.33 12.36 97.06 58.63 12.87 99.14 57.55 12.93 98.87 56.04 3 0 13.21-999 ?-999 ?-999 ? O1 UNL A 500 mVAL~A 15 14.52 97.71 58.64 15.12 98.39 58.23 14.38 96.80 60.93 14.02 95.83 61.61 14.97 96.62 59.52 16.53 96.50 59.52 3 0 11.90-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 16 14.23 98.07 61.34 14.57 98.74 60.68 12.15 98.09 62.63 11.64 97.65 63.67 13.63 98.44 62.62 13.85 99.93 62.90 2 0 11.83-999 ?-999 ?-999 ? O1 UNL A 500 mASP~A 17 11.46 98.27 61.50 12.00 98.71 60.78 9.92 96.32 61.49 9.04 95.85 62.18 10.05 97.84 61.34 9.49 98.27 59.98 2 0 9.74-999 ?-999 ?-999 ? O1 UNL A 500 mLEU~A 18 10.81 95.58 60.83 11.43 96.12 60.26 11.06 93.68 62.37 10.32 92.85 62.86 10.87 94.13 60.93 12.02 93.58 60.08 3 0 7.07-999 ?-999 ?-999 ? O1 UNL A 500 mPHE~A 19 12.09 94.21 63.04 12.66 94.83 62.51 11.15 94.27 65.33 10.81 93.54 66.27 12.32 93.88 64.44 13.61 94.50 64.98 3 0 7.66-999 ?-999 ?-999 ? O1 UNL A 500 mGLY~A 20 10.55 95.43 65.05 10.96 95.93 64.29 8.24 94.95 65.68 7.59 94.67 66.67 9.41 95.92 65.79-999.99-999.99-999.99 1 0 8.01-999 ?-999 ?-999 ? O1 UNL A 500 mMETA 21 7.96 94.46 64.49 8.56 94.79 63.76 7.19 92.23 65.02 6.35 91.70 65.73 6.88 93.51 64.29 6.72 93.21 62.81 2 0 -4.78-999 ?-999 ?-999 ? O1 UNL A 500s mMETA 22 8.38 91.71 64.80 8.91 92.20 64.11 8.70 90.68 67.05 8.09 89.83 67.70 8.87 90.54 65.52 10.33 90.32 65.16 2 0 -3.65-999 ?-999 ?-999 ? O1 UNL A 500s mALA~A 23 9.26 91.75 67.61 9.66 92.39 66.96 7.87 91.90 69.60 7.59 91.20 70.57 9.28 91.94 69.07 9.99 93.23 69.43 2 0 6.96-999 ?-999 ?-999 ? C9 UNL A 500 mTYR~A 24 6.95 92.59 68.92 7.29 93.08 68.12 4.90 91.19 69.22 4.11 90.76 70.08 5.55 92.58 69.36 4.68 93.66 68.71 3 0 7.18-999 ?-999 ?-999 ? O3 UNL A 500 mGLY~A 25 5.22 90.49 68.13 5.82 90.97 67.48 5.16 88.22 69.04 4.36 87.44 69.57 4.73 89.14 67.91-999.99-999.99-999.99 1 0 4.05-999 ?-999 ?-999 ? O3 UNL A 500 mGLU~A 26 6.42 88.33 69.40 6.92 89.03 68.88 6.45 87.77 71.83 6.11 86.84 72.55 7.04 87.51 70.45 8.56 87.70 70.42 2 0 -4.49-999 ?-999 ?-999 ? O7 UNL A 500s mLEU~A 27 6.33 89.04 72.20 6.71 89.68 71.54 4.26 88.88 73.61 3.89 88.31 74.65 5.70 89.43 73.46 5.66 90.96 73.57 3 0 8.10-999 ?-999 ?-999 ? O7 UNL A 500 mSER~A 28 3.45 89.07 72.57 3.86 89.60 71.83 2.03 87.05 72.64 1.24 86.52 73.40 2.08 88.56 72.54 1.40 88.97 71.24 2 0 7.58-999 ?-999 ?-999 ? O6 UNL A 500 mALA~A 29 2.87 86.36 71.87 3.44 86.93 71.27 3.31 84.42 73.30 2.79 83.44 73.78 2.93 84.91 71.89 3.93 84.41 70.83 2 0 6.00-999 ?-999 ?-999 ? O6 UNL A 500 mPHE~A 30 4.25 85.10 73.95 4.69 85.82 73.42 3.32 84.91 76.23 3.04 84.04 77.05 4.58 84.78 75.34 5.70 85.71 75.88 3 0 8.51-999 ?-999 ?-999 ? O7 UNL A 500 mGLU~A 31 2.58 86.00 76.06 2.92 86.62 75.36 0.30 85.18 76.64 -0.28 84.68 77.59 1.39 86.25 76.86 0.86 87.66 76.58 2 0 11.21-999 ?-999 ?-999 ? O6 UNL A 500 mARG~A 32 0.09 84.81 75.38 0.70 85.23 74.72 -0.64 82.47 75.40 -1.49 81.77 75.92 -0.96 83.89 75.01 -1.24 83.98 73.50 2 0 10.60-999 ?-999 ?-999 ? O6 UNL A 500 mPHE~A 33 0.59 82.03 75.15 1.20 82.72 74.75 1.05 80.38 76.93 0.69 79.31 77.38 0.98 80.66 75.44 2.34 80.36 74.82 3 0 10.84-999 ?-999 ?-999 ? O7 UNL A 500 mSER~A 34 1.55 81.35 77.69 1.89 82.14 77.17 0.20 81.19 79.74 -0.04 80.38 80.62 1.61 81.27 79.13 2.42 82.46 79.70 2 0 13.46-999 ?-999 ?-999 ? O7 UNL A 500 mALA~A 35 -0.74 82.00 79.24 -0.40 82.63 78.53 -2.80 80.63 79.30 -3.58 80.07 80.05 -2.13 81.94 79.70 -2.94 83.14 79.15 2 0 10.63-999 ?-999 ?-999 ? O2 TLA B 225 mASP~A 36 -2.50 80.16 78.11 -1.87 80.76 77.60 -2.55 77.65 78.34 -3.25 76.64 78.40 -3.03 78.90 77.58 -2.67 78.78 76.09 2 0 11.19-999 ?-999 ?-999 ? O2 TLA B 225 mALA~A 37 -1.34 77.73 78.87 -0.90 78.62 78.74 -1.50 76.11 80.77 -1.53 74.92 81.02 -0.69 76.62 79.57 0.75 77.03 80.00 2 0 11.79-999 ?-999 ?-999 ? O2 TLA B 225 mARG~A 38 -2.13 77.01 81.53 -2.00 77.95 81.23 -4.01 75.57 82.42 -4.44 74.87 83.33 -2.96 76.62 82.70 -3.77 77.79 83.21 2 0 -8.33-999 ?-999 ?-999 ? O2 TLA B 225s mTYR.A 39 -4.49 75.53 81.17 -4.01 76.15 80.55 -5.19 73.28 80.29 -5.99 72.57 79.66 -5.60 74.66 80.76 -6.38 75.35 79.66 3 0 8.46-999 ?-999 ?-999 ? O2 TLA B 225 mSER.A 40 -3.97 72.87 80.63 -3.47 73.48 81.25 -4.13 70.39 80.73 -4.47 70.36 81.92 -3.44 71.63 80.12 -1.92 71.59 80.27 2 0 11.82-999 ?-999 ?-999 ? O2 TLA B 225 mPRO.A 41 -4.36 69.36 79.91 -4.01 69.45 78.98 -4.41 67.46 81.57 -5.10 66.84 82.37 -5.09 68.20 80.40 -5.15 67.30 79.17 3 0 13.47-999 ?-999 ?-999 ? O2 TLA B 225 mTHR.A 42 -3.09 67.51 81.64 -2.64 68.02 80.91 -1.31 67.79 83.31 -0.91 68.76 82.69 -2.37 66.86 82.72 -1.67 65.62 82.21 2 0 14.98-999 ?-999 ?-999 ? O2 TLA B 225 mLEU.A 43 -0.87 67.47 84.51 -1.30 66.66 84.92 1.44 68.13 84.37 2.18 69.10 84.21 0.15 68.25 85.17 0.31 67.77 86.61 3 0 14.70-999 ?-999 ?-999 ? O4 TLA B 225 mHIS.A 44 1.71 66.94 83.87 1.06 66.23 84.15 2.94 67.65 81.82 4.03 68.13 81.50 2.85 66.68 82.98 2.73 65.25 82.45 3 0 18.15-999 ?-999 ?-999 ? O4 TLA B 225 mASP~A 45 1.80 67.95 81.20 1.01 67.48 81.59 1.70 70.38 80.33 1.74 71.17 79.39 1.72 68.89 80.04 0.46 68.58 79.24 2 0 16.85-999 ?-999 ?-999 ? O2 TLA B 225 mARG~A 46 1.60 70.77 81.59 1.53 70.02 82.25 2.82 72.93 81.40 2.68 74.03 80.89 1.61 72.19 81.94 1.60 72.36 83.46 2 0 14.25-999 ?-999 ?-999 ? O2 TLA B 225 mALA~A 47 4.00 72.33 81.55 3.92 71.42 81.94 5.48 73.04 79.65 6.33 73.75 79.18 5.27 72.95 81.17 6.43 72.18 81.81 2 0 15.26-999 ?-999 ?-999 ? O11 UNL B 500 mVAL~A 48 4.69 72.31 78.88 4.00 71.79 79.38 4.74 73.70 76.89 5.67 74.23 76.31 4.86 72.29 77.43 3.84 71.30 76.76 3 0 15.31-999 ?-999 ?-999 ? O11 UNL A 500 mLEU~A 49 3.59 74.33 77.11 2.92 73.81 77.65 4.08 76.77 77.39 4.41 77.80 76.83 3.36 75.67 76.59 1.88 75.94 76.43 3 0 13.06-999 ?-999 ?-999 ? O11 UNL A 500 mGLY~A 50 4.33 76.53 78.68 3.93 75.69 79.03 6.55 77.57 78.95 7.12 78.67 78.91 5.13 77.44 79.49-999.99-999.99-999.99 1 0 13.41-999 ?-999 ?-999 ? O11 UNL A 500 mARG~A 51 7.13 76.45 78.53 6.57 75.62 78.67 8.55 77.27 76.63 9.50 78.04 76.49 8.46 76.46 77.90 8.96 75.04 77.62 2 0 11.91-999 ?-999 ?-999 ? O11 UNL A 500 mILE~A 52 7.64 77.08 75.68 6.96 76.36 75.86 7.34 79.36 74.80 7.86 80.27 74.17 7.67 77.92 74.47 6.81 77.44 73.25 3 0 8.56-999 ?-999 ?-999 ? O11 UNL A 500 mALA~A 53 6.48 79.58 75.79 6.08 78.75 76.18 7.43 81.65 76.66 7.68 82.78 76.24 6.16 80.93 76.25 5.16 80.89 77.41 2 0 8.90-999 ?-999 ?-999 ? O11 UNL A 500 mVAL~A 54 8.26 80.99 77.46 7.96 80.06 77.69 10.50 81.87 76.82 11.05 82.96 76.74 9.50 81.59 77.95 10.13 80.77 79.10 3 0 9.58-999 ?-999 ?-999 ? O11 UNL A 500 mVAL~A 55 10.68 80.91 75.92 10.19 80.06 76.13 11.08 82.36 73.96 11.92 83.18 73.57 11.52 81.09 74.73 11.45 79.85 73.80 3 0 6.91-999 ?-999 ?-999 ? O11 UNL A 500 mGLU~A 56 9.77 82.53 73.81 9.21 81.79 74.19 9.58 85.02 73.79 9.92 86.00 73.11 9.21 83.70 73.13 7.69 83.60 73.04 2 0 -4.53-999 ?-999 ?-999 ? O11 UNL A 500s mPHE~A 57 9.48 85.06 75.11 9.12 84.23 75.53 11.40 86.50 75.73 11.83 87.66 75.68 9.89 86.24 75.86 9.50 86.13 77.33 3 0 7.62-999 ?-999 ?-999 ? O11 UNL A 500 mARG~A 58 12.18 85.42 75.68 11.68 84.56 75.79 13.95 86.15 74.13 14.82 87.02 74.01 13.64 85.50 75.50 14.26 84.10 75.67 2 0 8.06-999 ?-999 ?-999 ? O11 UNL A 500 mHIS~A 59 13.18 85.77 73.11 12.52 85.06 73.35 12.95 87.82 71.80 13.68 88.67 71.26 13.32 86.35 71.77 12.45 85.60 70.75 3 0 -5.38-999 ?-999 ?-999 ? O11 UNL A 500s mTYR~A 60 11.81 88.13 72.42 11.30 87.34 72.76 12.45 90.39 73.15 12.68 91.49 72.68 11.36 89.51 72.56 10.12 89.60 73.43 3 0 7.10-999 ?-999 ?-999 ? O11 UNL A 500 mGLU~A 61 13.09 89.91 74.21 12.78 89.00 74.49 15.40 90.90 74.03 15.99 91.98 74.07 14.15 90.68 74.88 14.53 90.02 76.22 2 0 10.26-999 ?-999 ?-999 ? O11 UNL A 500 mLEU~A 62 15.77 89.88 73.26 15.19 89.07 73.36 16.66 90.96 71.23 17.53 91.76 70.89 16.92 89.94 72.35 17.18 88.54 71.78 3 0 10.13-999 ?-999 ?-999 ? O11 UNL A 500 mVAL~A 63 15.46 90.94 70.67 14.85 90.25 71.05 14.95 93.26 70.12 15.47 94.21 69.53 15.07 91.84 69.59 13.77 91.34 68.95 3 0 8.87-999 ?-999 ?-999 ? O10 UNL A 500 mSER~A 64 14.28 93.40 71.27 13.87 92.56 71.60 15.55 95.31 72.21 15.73 96.51 72.03 14.17 94.69 71.96 13.45 94.53 73.30 2 0 11.63-999 ?-999 ?-999 ? O10 UNL A 500 mALA~A 65 16.52 94.50 72.65 16.23 93.55 72.76 18.55 95.47 71.64 19.16 96.52 71.59 17.87 95.01 72.94 18.73 93.98 73.66 2 0 14.10-999 ?-999 ?-999 ? O10 UNL A 500 mARG~A 66 18.42 94.67 70.59 17.94 93.82 70.79 18.36 96.39 68.82 19.11 97.25 68.34 18.93 95.04 69.28 18.62 93.94 68.26 2 0 13.56-999 ?-999 ?-999 ? O10 UNL A 500 mLEU~A 67 17.04 96.58 68.96 16.54 95.79 69.32 17.08 99.01 69.39 17.51 99.99 68.78 16.41 97.85 68.63 14.89 97.82 68.86 3 0 14.27-999 ?-999 ?-999 ? O10 UNL A 500 mGLU~A 68 17.23 98.89 70.71 16.85 98.04 71.10 19.32 100.17 71.01 19.75 101.33 70.91 17.88 99.93 71.49 17.86 99.61 73.00 2 0 17.36-999 ?-999 ?-999 ? O10 UNL A 500 mALA~A 69 20.04 99.09 70.71 19.55 98.23 70.82 21.54 99.96 68.94 22.48 100.71 68.71 21.45 99.19 70.25 22.09 97.81 70.09 2 0 18.43-999 ?-999 ?-999 ? O10 UNL A 500 mMETA 70 20.54 99.79 68.08 19.86 99.11 68.37 20.06 102.00 67.13 19.93 102.77 66.18 20.45 100.54 66.85 19.40 99.91 65.93 2 0 18.44-999 ?-999 ?-999 ? O1 UNL A 500 mGLY~A 71 19.84 102.36 68.40 20.01 101.63 69.06 17.93 103.99 68.58 17.51 105.13 68.56 19.41 103.72 68.79-999.99-999.99-999.99 1 0 20.37-999 ?-999 ?-999 ? O1 UNL A 500 mILE~A 72 17.14 102.92 68.44 17.64 102.06 68.53 14.89 102.59 69.42 15.23 101.65 70.14 15.69 102.98 68.18 15.30 102.02 67.05 3 0 17.49-999 ?-999 ?-999 ? O1 UNL A 500 mASP~A 73 13.81 103.33 69.65 13.64 104.07 69.00 12.05 101.84 70.49 11.19 101.89 69.61 12.95 103.05 70.78 12.12 104.29 71.11 2 0 17.30-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 74 12.26 100.76 71.24 12.97 100.89 71.94 10.00 99.66 70.97 9.38 99.19 70.01 11.53 99.50 71.06 11.90 98.53 72.17 2 0 14.13-999 ?-999 ?-999 ? O1 UNL A 500 mGLU~A 75 9.39 100.32 71.95 10.02 100.63 72.67 7.46 101.28 70.70 6.46 100.88 70.11 7.94 100.56 71.97 7.53 101.35 73.22 2 0 14.71-999 ?-999 ?-999 ? O1 UNL A 500 mASP~A 76 8.17 102.32 70.29 8.96 102.54 70.87 7.83 102.22 67.83 6.99 102.39 66.95 7.81 103.06 69.07 8.75 104.23 68.82 2 0 15.43-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 77 8.83 101.35 67.73 9.45 101.35 68.51 7.90 99.39 66.59 7.49 98.92 65.55 8.98 100.48 66.59 10.39 99.87 66.60 2 0 12.33-999 ?-999 ?-999 ? O1 UNL A 500 mMETA 78 7.43 99.00 67.77 7.83 99.49 68.55 4.98 98.47 67.63 4.20 97.78 67.00 6.41 97.96 67.90 6.45 97.35 69.29 2 0 10.27-999 ?-999 ?-999 ? O1 UNL A 500 mLEU~A 79 4.67 99.68 68.10 5.45 100.16 68.51 2.53 100.04 66.75 1.34 99.71 66.81 3.31 100.26 68.03 3.33 101.75 68.32 3 0 12.85-999 ?-999 ?-999 ? O1 UNL A 500 mPRO~A 80 3.15 100.28 65.58 4.11 100.57 65.65 1.88 98.70 64.01 0.97 98.54 63.19 2.42 100.11 64.30 3.46 100.51 63.25 3 0 12.07-999 ?-999 ?-999 ? O1 UNL A 500 mPHE~A 81 2.40 97.69 64.70 3.07 97.98 65.38 1.09 95.74 65.52 0.67 94.59 65.40 2.00 96.30 64.45 3.26 95.45 64.34 3 0 8.88-999 ?-999 ?-999 ? O1 UNL A 500 mGLN~A 82 0.81 96.54 66.55 1.23 97.44 66.46 -1.46 95.81 67.33 -1.98 94.79 67.75 -0.01 96.15 67.69 0.05 97.24 68.77 2 0 10.88-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 83 -2.12 96.66 66.55 -1.59 97.46 66.27 -3.65 95.08 65.36 -4.52 94.26 65.64 -3.51 96.40 66.15 -4.06 97.57 65.34 2 0 13.02-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 84 -2.78 94.90 64.36 -2.13 95.66 64.25 -2.47 92.39 64.31 -3.14 91.38 64.15 -2.78 93.69 63.52 -1.77 93.86 62.35 2 0 10.61-999 ?-999 ?-999 ? O1 UNL A 500 mVAL~A 85 -1.46 92.42 65.17 -0.96 93.29 65.19 -2.26 90.97 67.01 -2.72 89.84 67.13 -1.13 91.26 66.01 0.25 91.46 66.69 3 0 8.29-999 ?-999 ?-999 ? O6 UNL A 500 mASP~A 86 -2.75 92.00 67.69 -2.27 92.86 67.51 -5.17 91.34 67.91 -5.92 90.54 68.45 -3.90 91.85 68.61 -4.25 93.18 69.31 2 0 11.05-999 ?-999 ?-999 ? O6 UNL A 500 mTYR~A 87 -5.41 91.82 66.71 -4.73 92.48 66.37 -6.47 89.90 65.63 -7.41 89.14 65.87 -6.57 91.39 65.96 -6.73 92.23 64.69 3 0 12.79-999 ?-999 ?-999 ? O6 UNL A 500 mPHE~A 88 -5.32 89.48 65.10 -4.66 90.21 64.93 -5.40 87.16 66.00 -6.05 86.14 65.87 -5.08 88.06 64.78 -3.63 87.85 64.32 3 0 10.26-999 ?-999 ?-999 ? O6 UNL A 500 mHIS~A 89 -4.95 87.57 67.19 -4.48 88.45 67.19 -6.58 86.74 68.81 -7.06 85.73 69.25 -5.16 86.75 68.39 -4.26 87.19 69.54 3 0 10.22-999 ?-999 ?-999 ? O6 UNL A 500 mSER~A 90 -7.25 87.87 68.66 -6.72 88.63 68.29 -9.47 87.11 68.03 -10.56 86.72 68.36 -8.64 87.96 69.00 -9.10 89.43 68.99 2 0 13.90-999 ?-999 ?-999 ? O6 UNL A 500 mARG~A 91 -8.94 86.83 66.84 -8.05 87.26 66.69 -9.18 84.54 65.89 -9.71 83.72 65.16 -9.62 86.00 65.83 -9.30 86.50 64.44 2 0 14.36-999 ?-999 ?-999 ? O6 UNL A 500 mTHR~A 92 -8.21 84.23 66.75 -7.84 85.00 67.27 -7.74 82.50 68.40 -6.73 82.11 68.97 -7.73 82.87 66.91 -6.33 82.70 66.29 2 0 12.73-999 ?-999 ?-999 ? O6 UNL A 500 mARG~A 93 -8.90 82.69 69.04 -9.61 83.07 68.45 -9.30 80.84 70.59 -10.33 80.33 70.17 -9.09 82.35 70.47 -10.33 83.06 71.04 2 0 14.78-999 ?-999 ?-999 ? O6 UNL A 500 mPRO~A 94 -8.33 80.12 71.17 -7.56 80.64 71.55 -9.60 78.20 72.13 -9.85 78.84 73.15 -8.47 78.66 71.21 -7.10 78.19 71.71 3 0 15.25-999 ?-999 ?-999 ? O2 TLA B 225 mALA~A 95 -10.28 77.13 71.75 -9.95 76.74 70.89 -10.89 75.67 73.67 -11.56 75.47 74.68 -11.40 76.58 72.56 -12.38 75.82 71.67 2 0 14.03-999 ?-999 ?-999 ? O1 TLA B 225 mASP~A 96 -9.70 75.11 73.49 -9.24 75.33 72.63 -7.67 74.17 74.34 -7.13 74.81 73.45 -9.15 74.24 74.51 -9.79 72.84 74.49 2 0 12.91-999 ?-999 ?-999 ? O2 TLA B 225 mTRP~A 97 -7.02 73.40 75.21 -7.60 72.91 75.86 -4.99 72.65 73.91 -3.89 73.01 73.46 -5.56 73.30 75.19 -5.12 72.55 76.42 3 0 13.40-999 ?-999 ?-999 ? O2 TLA B 225 mTYR~A 98 -5.72 71.72 73.31 -6.56 71.49 73.79 -5.24 72.19 70.94 -4.31 72.22 70.15 -5.26 71.12 72.04 -6.10 69.91 71.65 3 0 17.13-999 ?-999 ?-999 ? O2 TLA B 225 mGLU~A 99 -6.21 73.09 70.91 -6.94 72.93 71.58 -4.99 75.18 70.27 -4.32 75.71 69.38 -6.14 74.21 69.94 -7.47 74.91 69.84 2 0 16.04-999 ?-999 ?-999 ? O6 UNL A 500 mSER~A 100 -4.74 75.37 71.54 -5.38 74.93 72.17 -2.27 75.57 71.53 -1.40 76.29 71.03 -3.59 76.16 71.97 -3.61 76.33 73.48 2 0 13.70-999 ?-999 ?-999 ? O6 UNL A 500 mLEU~A 101 -2.14 74.26 71.72 -2.92 73.84 72.17 -0.75 73.66 69.81 0.36 73.97 69.33 -0.96 73.52 71.32 -1.11 72.05 71.74 3 0 14.07-999 ?-999 ?-999 ? O7 UNL A 500 mMETA 102 -1.82 73.43 69.06 -2.62 73.16 69.59 -1.46 74.97 67.14 -0.71 75.13 66.21 -1.84 73.56 67.59 -3.26 73.24 67.11 2 0 13.59-999 ?-999 ?-999 ? O6 UNL A 500 mLYS~A 103 -2.03 75.99 67.79 -2.68 75.72 68.49 -0.20 77.64 67.70 0.48 78.25 66.85 -1.70 77.39 67.47 -2.55 78.33 68.31 2 0 10.34-999 ?-999 ?-999 ? O6 UNL A 500 mALA~A 104 0.33 77.18 68.83 -0.33 76.72 69.43 2.63 76.74 68.02 3.57 77.39 67.52 1.78 77.34 69.13 2.16 76.70 70.46 2 0 8.96-999 ?-999 ?-999 ? O7 UNL A 500 mTYR~A 105 2.29 75.50 67.63 1.52 75.11 68.14 2.90 75.56 65.22 3.93 75.75 64.57 2.97 74.80 66.55 2.37 73.39 66.36 3 0 10.18-999 ?-999 ?-999 ? O8 UNL A 500 mVAL~A 106 1.69 75.95 64.79 0.96 75.70 65.43 2.24 77.98 63.50 2.96 78.25 62.55 1.47 76.66 63.53 -0.04 76.88 63.23 3 0 9.68-999 ?-999 ?-999 ? O6 UNL A 500 mILE~A 107 2.12 78.78 64.56 1.45 78.45 65.22 4.45 79.80 64.79 5.23 80.58 64.29 2.92 80.04 64.72 2.48 80.82 66.00 3 0 -5.83-999 ?-999 ?-999 ? O6 UNL A 500s mASP~A 108 4.88 78.71 65.39 4.14 78.14 65.76 6.95 78.03 64.16 8.10 78.33 63.89 6.31 78.40 65.49 6.52 77.20 66.42 2 0 5.67-999 ?-999 ?-999 ? O8 UNL A 500 mTHR~A 109 6.19 77.29 63.35 5.25 77.18 63.65 6.67 77.71 61.01 7.63 77.86 60.25 6.72 76.70 62.13 5.97 75.40 61.78 2 0 8.35-999 ?-999 ?-999 ? O12 UNL A 500 mVAL~A 110 5.58 78.43 60.93 4.86 78.18 61.58 6.52 80.60 60.19 7.14 81.03 59.26 5.47 79.50 59.94 4.07 80.14 59.91 3 0 6.05-999 ?-999 ?-999 ? O15 UNL A 500 mSER~A 111 6.70 81.05 61.44 6.10 80.63 62.13 9.12 81.57 61.39 9.88 82.33 60.83 7.71 82.06 61.76 7.66 82.46 63.23 2 0 -4.22-999 ?-999 ?-999 ? O15 UNL A 500s mALA~A 112 9.47 80.33 61.69 8.76 79.81 62.17 11.01 79.81 59.80 12.11 80.14 59.34 10.78 79.79 61.33 10.96 78.35 61.88 2 0 5.99-999 ?-999 ?-999 ? O12 UNL A 500 mASP~A 113 9.96 79.45 59.04 9.17 79.17 59.58 10.22 80.86 57.06 11.05 81.08 56.15 9.98 79.47 57.56 8.66 79.00 56.97 2 0 8.19-999 ?-999 ?-999 ? O15 UNL A 500 mPHE~A 114 9.47 81.80 57.62 8.82 81.46 58.29 11.02 83.68 57.51 11.62 84.36 56.67 9.60 83.20 57.26 8.62 84.00 58.07 3 0 5.90-999 ?-999 ?-999 ? O15 UNL A 500 mTYR~A 115 11.60 83.30 58.64 11.04 82.72 59.23 13.98 83.22 57.96 14.85 83.96 57.55 12.96 83.75 58.96 13.36 83.42 60.41 3 0 -7.29-999 ?-999 ?-999 ? O13 UNL A 500s mARG~A 116 13.86 81.96 57.56 13.13 81.44 58.01 14.53 82.16 55.24 15.50 82.39 54.52 14.74 81.41 56.55 14.54 79.90 56.36 2 0 10.87-999 ?-999 ?-999 ? O13 UNL A 500 mALA~A 117 13.29 82.56 54.95 12.62 82.34 55.66 13.60 84.67 53.63 14.30 84.99 52.67 12.97 83.28 53.70 11.47 83.40 53.53 2 0 10.41-999 ?-999 ?-999 ? O17 UNL A 500 mILE~A 118 13.37 85.49 54.64 12.81 85.09 55.37 15.38 86.96 54.97 15.98 88.00 54.73 13.88 86.85 54.65 13.11 87.76 55.63 3 0 9.89-999 ?-999 ?-999 ? O14 UNL A 500 mSER~A 119 15.97 85.89 55.47 15.35 85.10 55.58 18.33 86.15 54.65 19.47 86.56 54.84 17.39 85.86 55.83 17.73 84.50 56.46 2 0 12.12-999 ?-999 ?-999 ? O13 UNL A 500 mARG~A 120 17.81 85.97 53.44 16.85 85.69 53.45 18.65 87.63 51.79 19.64 88.06 51.21 18.58 86.16 52.22 17.93 85.30 51.13 2 0 15.10-999 ?-999 ?-999 ? O14 UNL A 500 mTYR~A 121 17.61 88.40 52.12 16.91 87.91 52.64 18.08 90.82 52.74 18.18 92.01 52.43 17.50 89.82 51.75 16.03 90.17 51.53 3 0 14.85-999 ?-999 ?-999 ? O14 UNL A 500 mVAL~A 122 18.46 90.37 53.93 18.31 89.39 54.06 20.56 91.04 55.13 21.12 90.03 54.70 19.05 91.26 54.95 18.34 91.12 56.31 3 0 14.69-999 ?-999 ?-999 ? O13 UNL A 500 mASP~A 123 21.18 92.01 55.79 20.57 92.75 56.07 22.96 90.87 57.07 22.09 90.30 57.72 22.60 91.99 56.09 23.03 93.34 56.66 2 0 17.45-999 ?-999 ?-999 ? O13 UNL A 500 mALA~A 124 24.26 90.58 57.16 24.84 91.19 56.61 24.56 89.67 59.46 24.44 88.69 60.20 24.81 89.49 57.97 26.32 89.33 57.68 2 0 17.73-999 ?-999 ?-999 ? O10 UNL A 500 mGLY~A 125 24.50 90.93 59.90 24.66 91.61 59.18 22.76 91.08 61.68 22.47 90.67 62.81 24.22 91.26 61.30-999.99-999.99-999.99 1 0 16.40-999 ?-999 ?-999 ? O10 UNL A 500 mTHR~A 126 21.85 91.39 60.75 22.25 91.79 59.92 20.13 89.70 60.85 19.40 89.15 61.65 20.41 91.18 60.96 19.55 91.97 59.93 2 0 13.30-999 ?-999 ?-999 ? O10 UNL A 500 mARG~A 127 20.72 89.06 59.86 21.23 89.66 59.24 21.10 86.92 60.96 20.55 85.89 61.34 20.65 87.63 59.68 21.56 87.26 58.50 2 0 13.00-999 ?-999 ?-999 ? O10 UNL A 500 mASP~A 128 22.11 87.49 61.62 22.41 88.34 61.20 21.74 86.89 63.98 21.68 85.93 64.73 22.72 86.93 62.83 23.93 87.79 63.23 2 0 13.50-999 ?-999 ?-999 ? O10 UNL A 500 mVAL~A 129 21.00 87.99 64.14 21.23 88.73 63.52 18.80 87.11 64.85 18.18 86.58 65.76 19.95 88.07 65.14 19.37 89.51 65.21 3 0 10.56-999 ?-999 ?-999 ? O10 UNL A 500 mILE~A 130 18.52 86.88 63.57 19.13 87.35 62.93 17.71 84.56 63.39 16.82 83.79 63.77 17.41 86.03 63.16 17.03 86.27 61.68 3 0 8.32-999 ?-999 ?-999 ? O10 UNL A 500 mGLU~A 131 18.97 84.18 63.19 19.57 84.92 62.87 19.51 82.43 64.88 19.41 81.25 65.24 19.44 82.80 63.40 20.79 82.58 62.69 2 0 9.60-999 ?-999 ?-999 ? O12 UNL A 500 mGLN~A 132 19.66 83.43 65.75 19.80 84.32 65.31 18.18 82.95 67.67 17.96 82.16 68.58 19.60 83.23 67.21 20.11 84.46 67.97 2 0 9.31-999 ?-999 ?-999 ? O12 UNL A 500 mILE~A 133 17.23 83.65 67.07 17.58 84.29 66.38 15.19 82.26 66.73 14.18 81.73 67.20 15.81 83.49 67.38 15.02 84.71 66.86 3 0 -5.58-999 ?-999 ?-999 ? O12 UNL A 500s mGLN~A 134 15.80 81.79 65.64 16.71 82.18 65.47 14.96 79.46 65.52 15.91 78.86 66.03 15.17 80.79 64.81 15.97 80.59 63.52 2 0 5.51-999 ?-999 ?-999 ? O12 UNL A 500 mALA~A 135 13.69 79.02 65.52 13.08 79.60 64.99 13.97 76.54 65.75 14.02 76.23 64.55 13.24 77.81 66.20 11.73 77.64 66.00 2 0 5.84-999 ?-999 ?-999 ? O12 UNL A 500 mSER~A 136 14.53 75.81 66.72 14.43 76.19 67.64 14.29 73.49 65.85 13.07 73.55 66.05 15.24 74.55 66.42 15.93 73.99 67.66 2 0 9.65-999 ?-999 ?-999 ? O12 UNL A 500 mASP~A 137 14.86 72.53 65.13 15.85 72.64 65.03 13.46 70.59 65.65 12.30 70.16 65.55 14.10 71.43 64.54 15.01 70.51 63.71 2 0 12.19-999 ?-999 ?-999 ? O12 UNL A 500 mGLU~A 138 14.24 70.38 66.71 15.13 70.83 66.64 12.79 70.22 68.74 12.00 69.52 69.38 13.85 69.57 67.86 15.08 69.23 68.73 2 0 13.83-999 ?-999 ?-999 ? O12 UNL A 500 mTHR~A 139 12.78 71.55 68.78 13.50 71.98 68.24 10.41 72.14 68.98 9.43 71.84 69.67 11.80 72.30 69.57 12.15 73.79 69.57 2 0 11.11-999 ?-999 ?-999 ? O12 UNL A 500 mTHR~A 140 10.34 72.40 67.68 11.21 72.70 67.28 8.64 70.80 66.91 7.43 70.57 66.99 9.14 72.25 66.89 9.43 72.78 65.49 2 0 10.69-999 ?-999 ?-999 ? O12 UNL A 500 mGLU~A 141 9.57 69.83 66.90 10.51 70.18 66.90 8.54 67.93 68.18 7.74 66.99 68.18 9.22 68.39 66.89 10.45 67.53 66.61 2 0 14.53-999 ?-999 ?-999 ? O12 UNL A 500 mVAL~A 142 8.86 68.63 69.29 9.54 69.35 69.15 6.76 68.64 70.58 5.97 67.85 71.10 8.27 68.33 70.59 8.99 69.08 71.74 3 0 15.26-999 ?-999 ?-999 ? O12 UNL A 500 mLEU~A 143 6.39 69.78 70.01 7.17 70.33 69.69 4.28 69.33 68.86 3.16 68.88 69.09 4.98 70.20 69.89 4.87 71.67 69.43 3 0 14.15-999 ?-999 ?-999 ? O8 UNL A 500 mARG~A 144 4.94 69.10 67.72 5.82 69.57 67.66 4.06 66.82 67.19 2.95 66.32 66.98 4.40 68.21 66.65 5.39 68.09 65.49 2 0 15.81-999 ?-999 ?-999 ? O12 UNL A 500 mGLU~A 145 5.01 66.23 67.90 5.85 66.77 67.96 3.73 64.89 69.57 3.00 63.89 69.66 4.85 64.92 68.53 6.18 64.52 69.17 2 0 18.88-999 ?-999 ?-999 ? O12 UNL A 500 mARG~A 146 3.59 65.96 70.35 4.28 66.67 70.23 1.12 66.10 70.57 0.15 65.47 70.96 2.47 66.01 71.31 2.67 67.17 72.30 2 0 19.04-999 ?-999 ?-999 ? O8 UNL A 500 mLEU~A 147 1.08 66.86 69.49 1.92 67.38 69.34 -0.45 65.56 67.95 -1.59 65.15 67.96 -0.10 66.92 68.60 0.10 67.96 67.48 3 0 18.69-999 ?-999 ?-999 ? O8 UNL A 500 mARG~A 148 0.54 64.91 67.37 1.41 65.42 67.40 -0.20 62.60 67.75 -1.18 61.91 67.49 0.40 63.59 66.74 1.79 63.14 66.24 2 0 21.46-999 ?-999 ?-999 ? O8 UNL A 500 mSER~A 149 0.39 62.57 68.93 1.17 63.19 68.99 -1.50 61.99 70.45 -2.23 61.07 70.75 -0.06 61.73 70.03 0.88 61.97 71.22 2 0 23.59-999 ?-999 ?-999 ? O8 UNL A 500 mALA~A 150 -1.91 63.26 70.49 -1.20 63.93 70.25 -4.24 63.16 69.75 -5.29 62.62 70.05 -3.27 63.63 70.84 -3.37 65.18 71.08 2 0 23.02-999 ?-999 ?-999 ? O2 TLA B 225 mLEU~A 151 -3.88 63.38 68.49 -3.00 63.85 68.42 -4.78 61.46 67.19 -5.78 60.93 66.70 -4.68 62.97 67.32 -4.07 63.53 66.03 3 0 24.27-999 ?-999 ?-999 ? O8 UNL A 500 mALA~A 152 -3.71 60.77 67.58 -2.94 61.34 67.86 -4.63 58.76 68.65 -5.25 57.74 68.42 -3.68 59.32 67.59 -2.26 58.85 67.83 2 0 27.01-999 ?-999 ?-999 ? O8 UNL A 500 mASP~A 153 -4.75 59.45 69.79 -4.23 60.30 69.81 -7.05 59.28 70.76 -7.87 58.50 71.24 -5.57 58.98 70.91 -5.07 59.56 72.23 2 0 25.87-999 ?-999 ?-999 ? O2 TLA B 225 mASP~A 154 -7.40 60.40 70.12 -6.63 60.92 69.75 -9.17 61.01 68.51 -8.56 61.86 67.84 -8.81 60.80 69.98 -9.10 62.05 70.82 2 0 24.71-999 ?-999 ?-999 ? O2 TLA B 225 mPRO~A 155 -10.15 60.22 68.00 -10.53 59.57 68.65 -11.46 61.56 66.27 -11.41 62.04 65.15 -10.62 60.32 66.60 -11.48 59.05 66.42 3 0 27.38-999 ?-999 ?-999 ? O2 TLA B 225 mARG~A 156 -12.22 62.08 67.23 -12.19 61.56 68.09 -12.18 64.57 66.89 -12.66 65.62 66.43 -13.03 63.29 67.03 -14.02 63.44 68.20 2 0 25.14-999 ?-999 ?-999 ? O1 TLA B 225 mLEU~A 157 -10.91 64.47 67.30 -10.64 63.54 67.56 -9.53 66.13 66.00 -9.51 67.34 65.79 -10.01 65.60 67.37 -8.81 65.22 68.26 3 0 23.39-999 ?-999 ?-999 ? O2 TLA B 225 mALA~A 158 -9.18 65.22 65.10 -9.33 64.27 65.39 -9.47 66.57 63.01 -8.96 67.58 62.54 -8.64 65.56 63.80 -8.46 64.29 62.96 2 0 22.34-999 ?-999 ?-999 ? O22 UNL C 500 mSER~A 159 -10.74 66.27 62.87 -11.02 65.42 63.32 -11.72 68.56 62.69 -11.72 69.53 61.95 -11.64 67.14 62.11 -13.04 66.51 62.04 2 0 19.72-999 ?-999 ?-999 ? O21 UNL C 500 mARG~A 160 -11.77 68.66 64.03 -11.81 67.78 64.50 -10.45 70.71 64.56 -10.47 71.91 64.32 -11.78 69.95 64.71 -12.10 69.77 66.20 2 0 19.74-999 ?-999 ?-999 ? O21 UNL C 500 mLEU~A 161 -9.31 70.04 64.71 -9.41 69.07 64.94 -7.68 71.07 63.05 -6.90 71.99 62.80 -8.01 70.73 64.52 -6.84 69.95 65.11 3 0 19.21-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 162 -8.27 70.32 62.11 -8.84 69.58 62.47 -8.74 71.91 60.33 -8.20 72.71 59.59 -8.09 70.59 60.67 -8.68 69.45 59.81 2 0 16.88-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~A 163 -9.93 72.12 60.86 -10.28 71.34 61.39 -9.85 74.51 61.28 -9.64 75.51 60.64 -10.65 73.36 60.70 -12.00 73.25 61.41 3 0 14.65-999 ?-999 ?-999 ? O21 UNL C 500 mTRP~A 164 -9.46 74.34 62.53 -9.78 73.48 62.91 -7.35 75.64 62.55 -6.98 76.84 62.44 -8.66 75.27 63.29 -8.36 74.58 64.62 3 0 16.01-999 ?-999 ?-999 ? O18 UNL A 500 mGLY~A 165 -6.65 74.60 62.07 -6.99 73.70 62.33 -5.74 75.72 60.05 -4.95 76.64 59.77 -5.47 74.79 61.22-999.99-999.99-999.99 1 0 13.68-999 ?-999 ?-999 ? O18 UNL A 500 mARG~A 166 -6.86 75.48 59.37 -7.40 74.70 59.71 -7.59 77.72 58.64 -7.27 78.66 57.90 -7.26 76.31 58.22 -8.44 75.71 57.48 2 0 12.25-999 ?-999 ?-999 ? O21 UNL C 500 mARG~A 167 -8.21 77.87 59.81 -8.42 77.01 60.27 -7.32 79.99 60.74 -7.26 81.17 60.45 -8.56 79.18 60.37 -9.45 79.06 61.62 2 0 12.58-999 ?-999 ?-999 ? O21 UNL C 500 mLEU~A 168 -6.36 79.36 61.41 -6.58 78.41 61.64 -4.37 80.53 60.50 -3.88 81.67 60.47 -5.10 80.00 61.77 -4.21 79.04 62.56 3 0 10.10-999 ?-999 ?-999 ? O18 UNL A 500 mLEU~A 169 -4.35 79.73 59.44 -4.78 78.84 59.58 -4.42 81.37 57.61 -3.77 82.38 57.33 -3.71 80.15 58.20 -3.72 79.03 57.16 3 0 8.21-999 ?-999 ?-999 ? O18 UNL A 500 mGLY~A 170 -5.74 81.27 57.44 -6.11 80.37 57.67 -6.36 83.69 57.70 -6.14 84.74 57.10 -6.55 82.38 56.95-999.99-999.99-999.99 1 0 9.71-999 ?-999 ?-999 ? O18 UNL A 500 mGLU~A 171 -6.42 83.63 59.03 -6.57 82.72 59.41 -4.88 85.43 59.76 -4.73 86.67 59.78 -6.28 84.84 59.83 -6.67 84.59 61.29 2 0 9.07-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 172 -3.86 84.58 59.68 -4.15 83.62 59.71 -2.15 85.62 58.19 -1.41 86.60 58.08 -2.45 85.04 59.57 -1.48 83.91 59.88 2 0 5.28-999 ?-999 ?-999 ? O18 UNL A 500 mLEU~A 173 -2.71 85.02 57.15 -3.16 84.16 57.38 -3.39 86.95 55.68 -2.90 87.86 55.03 -2.67 85.58 55.79 -3.29 84.59 54.79 3 0 5.76-999 ?-999 ?-999 ? O18 UNL A 500 mTHR~A 174 -4.56 87.07 56.31 -4.87 86.23 56.76 -4.52 89.47 56.97 -4.52 90.60 56.48 -5.31 88.33 56.33 -6.62 88.15 57.07 2 0 8.63-999 ?-999 ?-999 ? O18 UNL A 500 mGLN~A 175 -3.80 89.16 58.05 -3.85 88.20 58.33 -1.69 90.48 58.07 -1.23 91.60 58.12 -3.02 90.18 58.75 -2.84 89.83 60.24 2 0 7.42-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 176 -1.10 89.47 57.43 -1.56 88.59 57.56 -0.17 90.64 55.50 0.67 91.49 55.21 0.09 89.65 56.62 0.56 88.32 56.03 2 0 5.16-999 ?-999 ?-999 ? O18 UNL A 500 mGLN~A 177 -1.34 90.54 54.87 -1.92 89.81 55.23 -2.10 92.82 54.25 -1.75 93.81 53.59 -1.72 91.42 53.77 -2.84 90.79 52.92 2 0 8.59-999 ?-999 ?-999 ? O18 UNL A 500 mARG~A 178 -2.81 92.91 55.38 -3.10 92.03 55.75 -1.82 94.94 56.38 -1.72 96.15 56.19 -3.11 94.20 56.01 -3.97 94.01 57.26 2 0 10.71-999 ?-999 ?-999 ? O18 UNL A 500 mVAL~A 179 -0.84 94.21 56.91 -1.05 93.24 57.04 1.19 95.31 56.00 1.79 96.37 56.02 0.44 94.82 57.25 1.33 93.89 58.10 3 0 9.72-999 ?-999 ?-999 ? O18 UNL A 500 mSER~A 180 1.15 94.54 54.91 0.64 93.69 55.02 1.08 96.15 52.99 1.71 96.97 52.32 1.81 94.98 53.67 2.05 93.82 52.69 2 0 10.60-999 ?-999 ?-999 ? O18 UNL A 500 mTYR~A 181 -0.24 96.23 53.16 -0.65 95.46 53.65 -0.78 98.57 53.60 -0.14 99.55 53.22 -0.99 97.38 52.67 -2.49 97.06 52.56 3 0 13.64-999 ?-999 ?-999 ? O18 UNL A 500 mGLU~A 182 -1.29 98.46 54.83 -1.63 97.54 55.02 -0.01 100.21 56.26 0.02 101.41 56.56 -1.34 99.56 55.82 -2.11 99.13 57.08 2 0 14.89-999 ?-999 ?-999 ? O18 UNL A 500 mHIS~A 183 1.07 99.43 56.31 0.91 98.50 55.98 3.48 99.02 56.28 4.02 98.20 57.02 2.37 99.92 56.80 2.39 99.95 58.36 3 0 13.43-999 ?-999 ?-999 ? O1 UNL A 500 mALA~A 184 3.83 99.18 55.00 3.35 99.92 54.52 6.30 98.76 54.63 6.64 99.96 54.62 4.85 98.33 54.39 4.60 98.17 52.92 2 0 12.99-999 ?-999 ?-999 ? O1 UNL A 500 mPHE~A 185 7.12 97.73 54.83 6.60 96.88 54.91 9.17 96.51 54.23 10.30 96.51 53.78 8.60 97.76 54.94 9.03 97.75 56.42 3 0 12.23-999 ?-999 ?-999 ? O1 UNL A 500 mLEU~A 186 8.36 95.44 54.17 7.48 95.61 54.61 9.07 94.21 52.07 10.06 93.61 51.65 8.71 94.15 53.55 7.54 93.18 53.72 3 0 10.79-999 ?-999 ?-999 ? O14 UNL A 500 mGLY~A 187 8.25 94.89 51.28 7.46 95.27 51.75 9.78 95.84 49.58 10.39 95.70 48.52 8.52 95.05 49.86-999.99-999.99-999.99 1 0 13.84-999 ?-999 ?-999 ? O17 UNL A 500 mSER~A 188 10.16 96.68 50.54 9.55 96.71 51.33 12.60 96.68 50.84 13.70 96.98 50.40 11.38 97.49 50.43 11.26 98.75 51.28 2 0 15.91-999 ?-999 ?-999 ? O14 UNL A 500 mLEU~A 189 12.41 95.67 51.69 11.48 95.61 52.05 13.61 93.59 51.01 14.69 93.04 50.83 13.49 94.73 52.03 13.26 94.12 53.42 3 0 14.00-999 ?-999 ?-999 ? O14 UNL A 500 mILE~A 190 12.52 93.22 50.35 11.73 93.80 50.53 12.97 92.47 48.06 12.34 93.31 47.41 12.51 92.07 49.44 11.08 91.42 49.37 3 0 14.17-999 ?-999 ?-999 ? O14 UNL A 500 mALA~A 196 4.97 98.70 44.45 5.76 99.26 44.71 4.23 96.51 43.46 3.63 95.48 43.76 3.82 97.88 44.06 2.93 98.65 43.10 2 0 18.82-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 197 5.24 96.53 42.59 5.59 97.45 42.40 6.56 94.50 42.99 6.71 93.27 42.83 5.78 95.32 41.97 6.70 95.68 40.78 2 0 19.20-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 198 7.09 95.19 44.02 6.95 96.17 43.94 6.82 93.90 46.13 7.16 92.92 46.80 7.80 94.56 45.14 8.67 95.58 45.86 2 0 16.70-999 ?-999 ?-999 ? O18 UNL A 500 mLYS~A 199 5.61 94.47 46.21 5.52 95.31 45.67 4.19 92.51 46.46 3.84 91.60 47.21 4.53 93.90 47.01 3.26 94.76 46.94 2 0 14.11-999 ?-999 ?-999 ? O18 UNL A 500 mGLU~A 200 4.30 92.36 45.13 4.58 93.17 44.62 5.06 90.03 44.85 4.72 88.84 44.96 4.00 91.08 44.52 3.85 91.21 43.01 2 0 14.78-999 ?-999 ?-999 ? O18 UNL A 500 mLEU~A 201 6.31 90.45 45.01 6.46 91.42 44.82 7.03 89.05 46.88 7.25 87.88 47.23 7.37 89.52 45.45 8.75 90.20 45.42 3 0 14.13-999 ?-999 ?-999 ? O18 UNL A 500 mVAL~A 202 6.50 89.97 47.68 6.39 90.87 47.26 5.02 88.58 49.03 5.04 87.68 49.86 6.11 89.66 49.05 5.65 90.93 49.84 3 0 10.60-999 ?-999 ?-999 ? O18 UNL A 500 mSER~A 203 4.10 88.65 48.07 4.20 89.44 47.46 3.59 86.26 47.60 3.10 85.26 48.09 3.04 87.64 47.94 1.99 88.05 46.91 2 0 10.41-999 ?-999 ?-999 ? O18 UNL A 500 mGLY~A 204 4.60 86.21 46.75 4.85 87.09 46.35 5.88 84.30 47.69 5.86 83.07 47.83 5.28 84.96 46.45-999.99-999.99-999.99 1 0 11.95-999 ?-999 ?-999 ? O18 UNL A 500 mLEU~A 205 6.41 85.12 48.60 6.36 86.09 48.35 5.89 84.08 50.75 6.03 82.99 51.29 6.99 84.64 49.85 7.76 85.78 50.55 3 0 9.30-999 ?-999 ?-999 ? O17 UNL A 500 mILE~A 206 4.81 84.85 50.88 4.87 85.71 50.36 2.98 83.18 51.22 2.55 82.37 52.05 3.64 84.50 51.68 2.59 85.61 51.64 3 0 6.56-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 207 2.91 83.00 49.91 3.27 83.75 49.36 3.24 80.57 49.62 2.74 79.45 49.85 2.34 81.79 49.33 2.15 81.97 47.84 2 0 9.48-999 ?-999 ?-999 ? O18 UNL A 500 mGLY~A 208 4.55 80.79 49.59 4.82 81.71 49.32 5.30 79.25 51.34 5.38 78.03 51.58 5.51 79.75 49.93-999.99-999.99-999.99 1 0 10.34-999 ?-999 ?-999 ? O18 UNL A 500 mLEU~A 209 5.02 80.18 52.26 5.04 81.11 51.89 3.43 79.06 53.76 3.39 78.04 54.44 4.72 79.86 53.67 4.60 81.13 54.54 3 0 7.39-999 ?-999 ?-999 ? O18 UNL A 500 mALA~A 210 2.38 79.53 53.08 2.55 80.40 52.63 1.31 77.37 52.57 0.75 76.42 53.15 1.11 78.82 53.02 0.18 79.52 52.07 2 0 8.43-999 ?-999 ?-999 ? O18 UNL A 500 mGLU~A 211 2.13 77.19 51.53 2.55 78.03 51.20 3.07 74.91 51.95 2.70 73.75 52.04 2.36 75.86 50.96 3.12 76.03 49.63 2 0 11.90-999 ?-999 ?-999 ? O18 UNL A 500 mLYS~A 212 4.04 75.41 52.72 4.22 76.38 52.58 3.86 74.23 54.87 3.97 73.14 55.43 4.75 74.57 53.69 6.06 75.22 54.19 2 0 11.88-999 ?-999 ?-999 ? O18 UNL A 500 mHIS~A 213 2.98 75.16 55.25 3.06 76.01 54.73 1.09 73.78 55.97 0.76 72.95 56.80 2.00 74.94 56.33 1.17 76.22 56.58 3 0 10.61-999 ?-999 ?-999 ? O18 UNL A 500 mSER~A 214 0.69 73.75 54.70 1.07 74.49 54.14 0.41 71.37 54.13 -0.26 70.39 54.43 -0.22 72.77 54.18 -0.70 73.20 52.80 2 0 13.51-999 ?-999 ?-999 ? O18 UNL A 500 mLYS~A 215 1.68 71.27 53.75 2.08 72.12 53.43 2.46 69.49 55.24 2.27 68.30 55.49 2.41 69.99 53.81 3.83 70.13 53.25 2 0 15.98-999 ?-999 ?-999 ? O18 UNL A 500 mARG~A 216 2.68 70.40 56.18 2.81 71.33 55.83 1.40 69.55 58.15 1.40 68.70 59.04 2.73 70.04 57.59 3.22 71.20 58.46 2 0 15.36-999 ?-999 ?-999 ? O18 UNL A 500 mMETA 217 0.28 70.11 57.67 0.44 70.82 56.98 -1.33 68.25 57.66 -1.84 67.45 58.43 -1.05 69.68 58.12 -2.16 70.60 57.60 2 0 16.13-999 ?-999 ?-999 ? O18 UNL A 500 mTHR~A 218 -1.00 67.96 56.40 -0.66 68.74 55.89 -0.35 65.59 56.65 -0.79 64.46 56.85 -1.14 66.63 55.83 -0.61 66.62 54.37 2 0 19.27-999 ?-999 ?-999 ? O18 UNL A 500 mGLN~A 219 0.83 65.99 57.13 1.09 66.92 56.88 1.13 64.93 59.35 1.64 64.10 60.09 1.66 65.12 57.94 3.10 65.60 57.93 2 0 20.29-999 ?-999 ?-999 ? O18 UNL A 500 mLEU~A 220 0.13 65.71 59.74 -0.05 66.47 59.13 -1.93 64.68 60.62 -2.79 64.46 61.48 -0.62 65.43 60.97 -0.91 66.72 61.71 3 0 20.42-999 ?-999 ?-999 ? O18 UNL A 500 mGLY~A 221 -2.05 64.26 59.36 -1.27 64.47 58.78 -4.46 64.47 58.86 -5.59 64.00 58.99 -3.24 63.56 58.90-999.99-999.99-999.99 1 0 22.38-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~A 222 -4.22 65.78 58.70 -3.25 66.01 58.65 -5.50 67.15 57.14 -4.59 66.99 56.33 -5.31 66.77 58.61 -5.01 68.00 59.50 3 0 18.99-999 ?-999 ?-999 ? O22 UNL C 500 mTHR~A 223 -6.70 67.59 56.75 -7.41 67.54 57.45 -6.66 69.63 55.44 -6.25 70.20 56.47 -6.89 68.11 55.38 -8.29 67.77 54.79 2 0 15.72-999 ?-999 ?-999 ? O22 UNL C 500 mSER~B 4 21.20 56.80 109.72 21.42 57.67 110.17 20.31 55.74 107.65 19.75 56.80 107.40 20.86 55.50 109.06 19.82 54.75 109.88 2 0 28.88-999 ?-999 ?-999 ? O1 UNL B 500 mPRO~B 5 20.45 54.74 106.75 20.99 53.96 107.06 18.33 54.99 105.44 17.74 55.47 104.46 19.85 54.84 105.40 20.22 53.50 104.75 3 0 27.83-999 ?-999 ?-999 ? O1 UNL B 500 mALA~B 6 17.71 54.58 106.55 18.33 54.17 107.22 15.88 56.14 107.06 14.95 56.67 106.43 16.27 54.70 106.76 15.84 53.81 107.91 2 0 26.89-999 ?-999 ?-999 ? O13 UNL B 500 mASP~B 7 16.58 56.78 108.01 17.29 56.22 108.43 16.60 59.15 107.24 15.96 60.19 107.12 16.29 58.19 108.37 17.06 58.60 109.62 2 0 24.40-999 ?-999 ?-999 ? O13 UNL B 500 mTHR~B 8 17.61 58.80 106.46 18.10 57.99 106.78 16.80 59.49 104.27 16.39 60.53 103.78 17.98 59.50 105.24 19.21 58.80 104.59 2 0 22.98-999 ?-999 ?-999 ? O1 UNL B 500 mALA~B 9 16.27 58.29 104.02 16.75 57.55 104.50 13.93 58.88 103.58 13.28 59.54 102.77 15.12 58.07 103.13 14.76 56.59 103.10 2 0 22.61-999 ?-999 ?-999 ? O1 UNL B 500 mARG~B 10 13.68 58.86 104.89 14.30 58.26 105.41 12.74 61.14 105.25 11.79 61.83 104.86 12.59 59.64 105.50 12.52 59.37 107.01 2 0 20.82-999 ?-999 ?-999 ? O13 UNL B 500 mTYR~B 11 13.96 61.63 105.50 14.61 60.94 105.80 14.24 63.47 103.87 13.78 64.55 103.55 14.32 63.06 105.33 15.73 63.35 105.89 3 0 18.45-999 ?-999 ?-999 ? O13 UNL B 500 mASN~B 12 14.69 62.59 102.99 15.08 61.76 103.40 13.18 62.92 101.04 12.91 63.65 100.09 14.62 62.85 101.55 15.43 61.81 100.75 2 0 17.74-999 ?-999 ?-999 ? O1 UNL B 500 mARG~B 13 12.27 62.18 101.66 12.62 61.59 102.39 10.27 63.61 101.67 9.37 64.08 101.01 10.86 62.26 101.28 10.03 61.13 101.91 2 0 17.03-999 ?-999 ?-999 ? O13 UNL B 500 mPHE~B 14 10.76 64.21 102.75 11.47 63.70 103.23 10.90 66.63 102.36 10.30 67.64 102.13 10.26 65.51 103.17 10.47 65.72 104.68 3 0 14.13-999 ?-999 ?-999 ? O13 UNL B 500 mVAL~B 15 12.15 66.45 101.97 12.59 65.62 102.34 12.12 67.33 99.70 11.98 68.34 99.02 12.81 67.40 101.07 14.34 67.13 100.94 3 0 12.85-999 ?-999 ?-999 ? O1 UNL B 500 mALA~B 16 11.68 66.14 99.32 11.93 65.41 99.95 9.54 66.71 98.16 9.12 67.33 97.17 10.88 65.95 98.08 10.65 64.42 97.80 2 0 13.31-999 ?-999 ?-999 ? O1 UNL B 500 mASP~B 17 8.89 66.64 99.33 9.33 66.05 100.01 7.85 68.88 99.49 7.04 69.61 98.90 7.64 67.38 99.59 7.09 67.05 100.98 2 0 11.23-999 ?-999 ?-999 ? O13 UNL B 500 mLEU~B 18 8.93 69.35 100.10 9.45 68.65 100.59 9.44 71.25 98.62 8.88 72.25 98.26 9.28 70.76 100.05 10.60 71.00 100.79 3 0 8.42-999 ?-999 ?-999 ? O13 UNL B 500 mPHE~B 19 10.24 70.54 97.83 10.64 69.73 98.26 9.23 70.80 95.61 9.02 71.61 94.70 10.50 70.93 96.45 11.60 70.09 95.84 3 0 8.60-999 ?-999 ?-999 ? O1 UNL B 500 mGLY~B 20 8.40 69.79 95.89 8.73 69.17 96.59 6.27 70.89 95.36 5.71 71.43 94.40 7.12 69.64 95.19-999.99-999.99-999.99 1 0 9.18-999 ?-999 ?-999 ? O3 UNL B 500 mMETB 21 6.22 71.39 96.58 6.75 70.89 97.27 6.02 73.74 96.19 5.30 74.51 95.60 5.45 72.55 96.88 5.40 72.83 98.39 2 0 6.04-999 ?-999 ?-999 ? O3 UNL B 500 mMETB 22 7.32 73.92 96.33 7.77 73.22 96.87 7.79 75.05 94.21 7.40 76.09 93.65 8.00 75.05 95.72 9.48 75.00 96.07 2 0 4.27-999 ?-999 ?-999 ? O3 UNL B 500 mALA~B 23 7.97 73.88 93.56 8.16 73.11 94.17 6.50 74.11 91.57 6.33 74.86 90.62 7.89 73.77 92.07 8.34 72.39 91.57 2 0 6.67-999 ?-999 ?-999 ? C9 UNL B 500 mTYR~B 24 5.50 73.60 92.26 5.76 73.05 93.06 3.74 75.31 92.11 3.09 75.94 91.28 4.13 73.84 91.87 3.16 72.87 92.57 3 0 7.00-999 ?-999 ?-999 ? C9 UNL B 500 mGLY~B 25 4.14 75.86 93.25 4.59 75.26 93.90 4.50 78.16 92.41 3.86 79.10 91.96 3.89 77.27 93.48-999.99-999.99-999.99 1 0 3.96-999 ?-999 ?-999 ? C9 UNL B 500 mGLU~B 26 5.72 77.85 92.00 6.07 77.01 92.42 5.92 78.52 89.63 5.83 79.52 88.91 6.50 78.64 91.02 7.98 78.19 91.00 2 0 -4.37-999 ?-999 ?-999 ? O7 UNL B 500s mLEU~B 27 5.58 77.29 89.23 5.86 76.57 89.87 3.54 77.86 88.00 3.23 78.55 87.03 4.86 77.04 87.99 4.54 75.55 87.84 3 0 8.04-999 ?-999 ?-999 ? O7 UNL B 500 mSER~B 28 2.80 77.79 89.10 3.17 77.21 89.83 1.75 80.01 89.16 1.00 80.70 88.50 1.55 78.51 89.21 0.78 78.11 90.46 2 0 7.36-999 ?-999 ?-999 ? O6 UNL B 500 mALA~B 29 2.76 80.51 89.87 3.26 79.81 90.39 3.42 82.41 88.47 2.95 83.46 88.01 3.09 81.94 89.90 4.27 82.15 90.81 2 0 5.89-999 ?-999 ?-999 ? O6 UNL B 500 mPHE~B 30 4.20 81.62 87.75 4.53 80.81 88.23 3.25 82.23 85.58 3.18 83.25 84.95 4.51 81.92 86.38 5.31 80.77 85.71 3 0 8.47-999 ?-999 ?-999 ? O11 UNL B 500 mGLU~B 31 2.28 81.31 85.60 2.51 80.55 86.21 0.14 82.56 85.27 -0.38 83.27 84.43 1.03 81.39 84.85 0.25 80.07 85.02 2 0 10.06-999 ?-999 ?-999 ? O41 TLA B 225 mARG~B 32 -0.07 82.72 86.57 0.37 82.03 87.14 -0.24 85.19 86.89 -0.94 86.11 86.48 -0.86 83.81 87.10 -1.08 83.61 88.61 2 0 -7.92-999 ?-999 ?-999 ? O41 TLA B 225s mPHE~B 33 1.07 85.36 87.17 1.54 84.55 87.51 1.64 87.08 85.50 1.49 88.26 85.21 1.71 86.66 86.95 3.17 86.69 87.40 3 0 10.69-999 ?-999 ?-999 ? O7 UNL B 500 mSER~B 34 1.78 86.12 84.59 1.92 85.21 84.98 0.33 86.73 82.68 0.18 87.52 81.78 1.73 86.39 83.16 2.29 85.21 82.34 2 0 12.16-999 ?-999 ?-999 ? O2 EDO B 226 mALA~B 35 -0.69 86.14 83.30 -0.40 85.49 84.00 -2.51 87.86 83.29 -3.45 88.38 82.70 -2.08 86.42 82.97 -3.01 85.41 83.71 2 0 8.71-999 ?-999 ?-999 ? O2 EDO B 226 mASP~B 36 -1.82 88.52 84.21 -1.06 87.98 84.59 -1.73 90.94 83.60 -1.64 92.13 83.92 -2.15 89.89 84.64 -1.47 90.22 85.99 2 0 8.03-999 ?-999 ?-999 ? O2 EDO B 226 mALA~B 37 -1.50 90.49 82.36 -1.67 89.51 82.26 -2.13 92.25 80.68 -1.82 93.31 80.09 -1.04 91.35 81.26 -0.46 90.48 80.15 2 0 10.68-999 ?-999 ?-999 ? O2 EDO B 226 mARG~B 38 -3.40 91.84 80.83 -3.49 90.96 81.28 -4.61 94.01 81.09 -5.23 94.94 80.61 -4.53 92.67 80.35 -5.89 91.92 80.47 2 0 9.25-999 ?-999 ?-999 ? O2 EDO B 226 mTYR~B 39 -3.97 94.10 82.25 -3.48 93.27 82.52 -2.85 96.27 82.83 -2.92 97.42 83.27 -4.00 95.30 83.06 -4.01 94.93 84.54 3 0 -9.74-999 ?-999 ?-999 ? O2 EDO B 226s mSER~B 40 -1.78 95.83 82.17 -1.86 94.88 81.84 -1.02 98.05 81.44 -1.73 98.15 80.44 -0.60 96.68 81.95 0.39 96.03 80.98 2 0 13.26-999 ?-999 ?-999 ? O2 EDO B 226 mPRO~B 41 -0.63 99.12 82.15 -0.07 98.92 82.96 -0.45 100.86 80.39 -1.14 101.51 79.59 -1.01 100.47 81.73 -0.41 101.36 82.83 3 0 15.74-999 ?-999 ?-999 ? C2 EDO B 226 mTHR~B 42 0.81 100.50 80.15 1.22 99.96 80.89 2.17 99.60 78.37 2.11 98.54 78.98 1.52 100.86 78.93 2.64 101.94 79.16 2 0 18.54-999 ?-999 ?-999 ? O2 EDO B 226 mLEU~B 43 2.79 99.74 77.20 2.77 100.68 76.85 4.75 98.27 77.21 5.15 97.11 77.20 3.45 98.64 76.51 3.68 99.05 75.05 3 0 16.70-999 ?-999 ?-999 ? O3 UNL A 500 mHIS~B 44 5.39 99.26 77.82 4.96 100.15 77.72 6.32 98.22 79.81 7.13 97.40 80.24 6.63 99.03 78.57 7.32 100.36 78.96 3 0 18.11-999 ?-999 ?-999 ? C9 UNL A 500 mASP~B 45 5.14 98.45 80.39 4.58 99.15 79.93 4.43 96.25 81.31 4.42 95.45 82.23 4.71 97.72 81.59 3.46 98.36 82.20 2 0 17.99-999 ?-999 ?-999 ? O2 EDO B 226 mARG~B 46 4.22 95.90 80.04 4.26 96.65 79.38 5.18 93.67 79.99 5.07 92.57 80.51 3.94 94.51 79.67 3.59 94.38 78.19 2 0 16.30-999 ?-999 ?-999 ? O6 UNL A 500 mALA~B 47 6.35 94.22 79.71 6.28 95.11 79.26 7.84 93.40 81.57 8.57 92.50 82.00 7.62 93.57 80.05 8.77 94.32 79.43 2 0 15.16-999 ?-999 ?-999 ? O11 UNL A 500 mVAL~B 48 7.18 94.24 82.38 6.56 94.86 81.90 6.91 92.94 84.49 7.76 92.28 85.10 7.35 94.24 83.83 6.71 95.51 84.51 3 0 15.77-999 ?-999 ?-999 ? O11 UNL B 500 mLEU~B 49 5.63 92.58 84.39 5.05 93.27 83.95 5.71 90.06 84.11 5.82 88.97 84.66 5.14 91.27 84.89 3.59 91.19 84.94 3 0 13.44-999 ?-999 ?-999 ? O11 UNL B 500 mGLY~B 50 6.05 90.26 82.84 5.87 91.19 82.52 7.94 88.68 82.51 8.12 87.46 82.61 6.62 89.22 81.99-999.99-999.99-999.99 1 0 13.70-999 ?-999 ?-999 ? O11 UNL B 500 mARG~B 51 8.85 89.59 82.83 8.56 90.53 82.65 9.99 88.61 84.76 10.67 87.63 85.07 10.15 89.25 83.40 11.04 90.47 83.56 2 0 12.17-999 ?-999 ?-999 ? O11 UNL B 500 mILE~B 52 9.08 89.16 85.56 8.64 89.98 85.20 8.31 87.12 86.69 8.72 86.24 87.44 8.80 88.58 86.86 7.74 89.44 87.63 3 0 9.29-999 ?-999 ?-999 ? O11 UNL B 500 mALA~B 53 7.43 86.89 85.71 7.22 87.71 85.17 7.85 84.58 84.93 7.84 83.43 85.31 6.83 85.58 85.45 5.66 85.73 84.45 2 0 8.99-999 ?-999 ?-999 ? O11 UNL B 500 mVAL~B 54 8.74 85.04 84.07 8.64 86.01 83.85 10.77 83.70 84.56 11.19 82.55 84.53 9.77 84.18 83.50 10.49 84.85 82.29 3 0 9.71-999 ?-999 ?-999 ? O11 UNL B 500 mVAL~B 55 11.15 84.59 85.48 10.84 85.52 85.31 11.31 83.05 87.44 11.98 82.12 87.83 11.97 84.19 86.64 12.31 85.38 87.52 3 0 7.03-999 ?-999 ?-999 ? O11 UNL B 500 mGLU~B 56 9.99 83.09 87.60 9.56 83.91 87.22 9.37 80.68 87.54 9.63 79.64 88.17 9.25 82.01 88.27 7.77 82.36 88.40 2 0 -4.66-999 ?-999 ?-999 ? O11 UNL B 500s mPHE~B 57 9.19 80.70 86.22 8.94 81.59 85.84 10.75 78.90 85.52 10.91 77.68 85.57 9.34 79.49 85.43 8.96 79.72 83.97 3 0 7.73-999 ?-999 ?-999 ? O11 UNL B 500 mARG~B 58 11.77 79.75 85.53 11.50 80.71 85.44 13.40 78.63 87.02 14.13 77.64 87.10 13.16 79.29 85.65 14.15 80.43 85.39 2 0 8.20-999 ?-999 ?-999 ? O11 UNL B 500 mHIS~B 59 12.80 79.18 88.08 12.31 80.03 87.89 12.23 77.18 89.38 12.81 76.22 89.89 12.88 78.54 89.41 12.26 79.37 90.52 3 0 -5.44-999 ?-999 ?-999 ? O11 UNL B 500s mTYR~B 60 11.00 77.10 88.84 10.63 77.98 88.55 11.19 74.76 87.99 11.28 73.62 88.43 10.28 75.83 88.69 8.94 76.03 87.93 3 0 7.10-999 ?-999 ?-999 ? O11 UNL B 500 mGLU~B 61 11.84 75.14 86.89 11.65 76.09 86.62 13.93 73.79 86.94 14.34 72.65 86.84 12.75 74.26 86.14 13.27 74.94 84.87 2 0 10.31-999 ?-999 ?-999 ? O11 UNL B 500 mLEU~B 62 14.49 74.69 87.72 14.06 75.59 87.63 15.22 73.42 89.71 15.92 72.45 89.98 15.63 74.41 88.62 16.05 75.75 89.22 3 0 10.06-999 ?-999 ?-999 ? O11 UNL B 500 mVAL~B 63 14.03 73.64 90.29 13.54 74.42 89.92 13.07 71.39 90.85 13.36 70.38 91.46 13.52 72.77 91.37 12.42 73.49 92.14 3 0 8.71-999 ?-999 ?-999 ? O10 UNL B 500 mSER~B 64 12.41 71.37 89.70 12.21 72.28 89.33 13.25 69.32 88.60 13.22 68.10 88.68 12.03 70.13 89.03 11.08 70.39 87.83 2 0 11.56-999 ?-999 ?-999 ? O10 UNL B 500 mALA~B 65 14.31 69.98 88.16 14.18 70.97 88.11 16.16 68.60 89.00 16.58 67.45 88.91 15.56 69.31 87.78 16.56 70.29 87.20 2 0 13.92-999 ?-999 ?-999 ? O10 UNL B 500 mARG~B 66 16.17 69.28 90.14 15.84 70.22 90.06 15.84 67.47 91.81 16.41 66.46 92.20 16.64 68.70 91.40 16.52 69.73 92.52 2 0 13.50-999 ?-999 ?-999 ? O10 UNL B 500 mLEU~B 67 14.51 67.55 91.74 14.16 68.46 91.50 14.08 65.24 91.08 14.27 64.11 91.53 13.67 66.40 92.01 12.19 66.75 91.84 3 0 14.30-999 ?-999 ?-999 ? O10 UNL B 500 mGLU~B 68 14.25 65.55 89.79 14.08 66.51 89.57 16.01 63.88 89.17 16.17 62.67 89.00 14.67 64.54 88.82 14.69 65.10 87.40 2 0 17.17-999 ?-999 ?-999 ? O10 UNL B 500 mALA~B 69 16.96 64.70 89.65 16.68 65.66 89.68 18.24 63.32 91.32 19.16 62.52 91.54 18.29 64.22 90.08 19.22 65.42 90.34 2 0 18.40-999 ?-999 ?-999 ? O10 UNL B 500 mMETB 70 17.18 63.46 92.11 16.59 64.23 91.86 16.12 61.34 92.80 15.88 60.46 93.59 16.91 62.57 93.25 16.11 63.33 94.34 2 0 18.75-999 ?-999 ?-999 ? O10 UNL B 500 mGLY~B 71 15.70 61.28 91.54 15.97 62.07 90.99 13.43 60.23 91.36 12.76 59.22 91.56 14.91 60.15 91.02-999.99-999.99-999.99 1 0 20.73-999 ?-999 ?-999 ? O10 UNL B 500 mILE~B 72 12.90 61.44 91.42 13.54 62.19 91.23 10.91 62.36 90.56 11.51 63.35 90.08 11.49 61.64 91.73 11.34 62.48 93.04 3 0 18.58-999 ?-999 ?-999 ? O3 UNL B 500 mASP~B 73 9.78 61.85 90.08 9.51 60.97 90.46 8.50 63.86 89.71 7.94 63.81 90.80 9.01 62.56 89.07 7.83 61.69 88.61 2 0 18.05-999 ?-999 ?-999 ? C9 UNL B 500 mALA~B 74 8.73 65.00 89.07 9.23 64.90 88.20 6.76 66.26 89.82 6.29 66.66 90.87 8.28 66.28 89.61 8.68 67.43 88.70 2 0 14.37-999 ?-999 ?-999 ? C9 UNL B 500 mGLU~B 75 6.03 65.79 88.82 6.58 65.49 88.04 4.04 65.07 90.08 3.17 65.63 90.75 4.57 65.71 88.84 4.08 64.93 87.63 2 0 15.23-999 ?-999 ?-999 ? C9 UNL B 500 mASP~B 76 4.56 63.88 90.38 5.22 63.55 89.70 4.45 63.96 92.83 3.61 64.01 93.70 4.20 63.14 91.57 5.03 61.87 91.69 2 0 16.44-999 ?-999 ?-999 ? O3 UNL B 500 mALA~B 77 5.61 64.61 92.91 6.21 64.51 92.12 5.07 66.64 94.23 4.84 67.13 95.33 5.94 65.38 94.09 7.43 65.76 94.09 2 0 13.50-999 ?-999 ?-999 ? O3 UNL B 500 mMETB 78 4.62 67.17 93.10 4.85 66.63 92.29 2.36 68.23 93.29 1.71 69.12 93.81 3.85 68.42 93.06 4.01 69.09 91.70 2 0 11.09-999 ?-999 ?-999 ? O3 UNL B 500 mLEU~B 79 1.84 67.07 92.90 2.53 66.42 92.57 -0.28 67.06 94.28 -1.33 67.66 94.30 0.40 66.77 92.94 0.14 65.31 92.50 3 0 13.66-999 ?-999 ?-999 ? O3 UNL B 500 mPRO~B 80 0.33 66.65 95.41 1.21 66.20 95.29 -0.60 68.37 97.04 -1.44 68.67 97.89 -0.34 66.90 96.70 0.62 66.29 97.72 3 0 13.26-999 ?-999 ?-999 ? O3 UNL B 500 mPHE~B 81 0.11 69.29 96.40 0.75 68.91 95.73 -0.86 71.47 95.66 -1.08 72.66 95.81 -0.05 70.72 96.69 1.34 71.35 96.84 3 0 9.88-999 ?-999 ?-999 ? O3 UNL B 500 mGLN~B 82 -1.30 70.77 94.62 -1.09 69.79 94.68 -3.35 72.00 93.94 -3.63 73.14 93.59 -2.04 71.38 93.51 -2.30 70.33 92.43 2 0 11.15-999 ?-999 ?-999 ? O4 TLA B 225 mALA~B 83 -4.14 71.25 94.70 -3.74 70.38 94.98 -5.42 72.97 95.90 -6.14 73.91 95.62 -5.48 71.71 95.06 -6.26 70.63 95.77 2 0 10.16-999 ?-999 ?-999 ? O4 TLA B 225 mALA~B 84 -4.52 72.98 96.88 -4.00 72.13 96.96 -3.78 75.32 97.05 -4.24 76.42 97.27 -4.31 74.11 97.77 -3.33 73.72 98.90 2 0 10.86-999 ?-999 ?-999 ? O4 TLA B 225 mVAL~B 85 -2.75 75.14 96.24 -2.43 74.20 96.15 -3.18 76.84 94.55 -3.30 78.05 94.42 -2.17 76.28 95.56 -0.79 75.95 94.91 3 0 8.28-999 ?-999 ?-999 ? O6 UNL B 500 mASP~B 86 -3.90 75.97 93.85 -3.71 75.01 94.05 -5.97 77.24 93.55 -6.41 78.25 93.02 -4.88 76.44 92.87 -5.49 75.28 92.08 2 0 5.87-999 ?-999 ?-999 ? O4 TLA B 225 mTYR~B 87 -6.39 76.76 94.73 -5.90 75.95 95.05 -7.07 78.78 95.90 -7.84 79.69 95.74 -7.45 77.37 95.48 -7.73 76.53 96.69 3 0 6.64-999 ?-999 ?-999 ? O4 TLA B 225 mPHE~B 88 -5.88 78.91 96.47 -5.38 78.04 96.59 -5.38 81.17 95.73 -5.78 82.32 95.92 -5.33 80.18 96.89 -3.89 80.00 97.43 3 0 8.21-999 ?-999 ?-999 ? O4 TLA B 225 mHIS~B 89 -4.95 80.75 94.55 -4.64 79.80 94.55 -6.32 82.00 92.81 -6.49 83.12 92.32 -4.96 81.62 93.36 -4.08 81.04 92.24 3 0 5.68-999 ?-999 ?-999 ? O4 TLA B 225 mSER~B 90 -7.28 81.08 92.84 -6.98 80.19 93.17 -9.32 82.36 93.43 -10.18 83.13 93.05 -8.65 81.42 92.42 -9.51 80.17 92.20 2 0 -3.68-999 ?-999 ?-999 ? O4 TLA B 225s mARG~B 91 -8.88 82.35 94.70 -8.15 81.70 94.91 -8.75 84.57 95.73 -9.13 85.42 96.54 -9.47 83.24 95.68 -9.45 82.68 97.11 2 0 7.43-999 ?-999 ?-999 ? C4 TLA B 225 mTHR~B 92 -7.73 84.76 94.89 -7.55 83.99 94.28 -6.59 86.50 93.48 -5.45 86.85 93.21 -6.94 86.01 94.89 -5.64 85.86 95.73 2 0 7.73-999 ?-999 ?-999 ? O1 EDO B 226 mARG~B 93 -7.57 86.55 92.60 -8.45 86.25 92.97 -7.41 88.54 91.18 -8.43 89.16 91.48 -7.38 87.00 91.22 -8.50 86.45 90.32 2 0 4.61-999 ?-999 ?-999 ? C1 EDO B 226s mPRO~B 94 -6.28 89.18 90.83 -5.50 88.59 90.62 -7.26 91.27 89.77 -7.49 90.71 88.71 -6.26 90.66 90.77 -4.81 90.98 90.36 3 0 -5.10-999 ?-999 ?-999 ? C1 EDO B 226s mALA~B 95 -7.83 92.42 90.10 -7.51 92.80 90.97 -8.24 94.23 88.49 -8.91 94.83 87.63 -8.83 93.05 89.26 -10.03 93.52 90.11 2 0 4.40-999 ?-999 ?-999 ? C1 EDO B 226 mASP~B 96 -6.99 94.58 88.80 -6.58 94.04 89.54 -4.80 95.51 88.28 -4.33 94.61 88.98 -6.31 95.65 88.11 -6.79 97.00 88.62 2 0 7.75-999 ?-999 ?-999 ? C2 EDO B 226 mTRP~B 97 -4.08 96.44 87.64 -4.66 97.11 87.17 -1.95 96.46 88.96 -1.03 95.68 89.22 -2.62 96.50 87.59 -2.21 97.79 86.86 3 0 10.79-999 ?-999 ?-999 ? C2 EDO B 226 mTYR~B 98 -2.47 97.28 89.85 -3.29 97.76 89.54 -2.11 96.29 92.09 -1.24 96.00 92.91 -1.89 97.45 91.16 -2.39 98.76 91.76 3 0 12.36-999 ?-999 ?-999 ? C1 EDO B 226 mGLU~B 99 -3.28 95.67 92.00 -3.95 96.11 91.40 -2.60 93.31 92.23 -2.18 92.47 93.04 -3.53 94.43 92.72 -4.99 93.99 92.60 2 0 9.76-999 ?-999 ?-999 ? C1 EDO B 226 mSER~B 100 -2.28 93.30 90.93 -2.73 94.00 90.38 0.05 92.53 90.95 0.69 91.60 91.39 -1.34 92.31 90.39 -1.27 92.37 88.87 2 0 10.00-999 ?-999 ?-999 ? C1 EDO B 226 mLEU~B 101 0.51 93.77 90.92 -0.13 94.44 90.52 1.90 93.80 92.89 2.86 93.19 93.34 1.82 94.13 91.41 2.08 95.64 91.18 3 0 13.72-999 ?-999 ?-999 ? C1 EDO B 226 mMETB 102 0.87 94.18 93.63 0.16 94.65 93.10 0.87 92.45 95.41 1.60 92.10 96.32 0.77 93.94 95.07 -0.56 94.53 95.58 2 0 12.87-999 ?-999 ?-999 ? O22 UNL B 500 mLYS~B 103 0.16 91.60 94.67 -0.41 92.04 93.98 1.63 89.59 94.55 2.14 88.74 95.28 0.22 90.15 94.85 -0.78 89.48 93.93 2 0 10.43-999 ?-999 ?-999 ? O6 UNL B 500 mALA~B 104 2.26 90.08 93.49 1.74 90.77 92.97 4.56 89.97 94.27 5.34 89.14 94.71 3.60 89.63 93.14 4.05 90.29 91.83 2 0 9.15-999 ?-999 ?-999 ? O7 UNL B 500 mTYR~B 105 4.45 91.21 94.74 3.75 91.75 94.28 5.13 90.93 97.12 6.12 90.57 97.76 5.27 91.73 95.82 4.91 93.21 96.06 3 0 10.43-999 ?-999 ?-999 ? O8 UNL B 500 mVAL~B 106 3.88 90.71 97.52 3.20 91.13 96.92 4.02 88.49 98.67 4.51 88.00 99.65 3.55 89.95 98.72 2.01 89.95 98.96 3 0 7.73-999 ?-999 ?-999 ? O22 UNL B 500 mILE~B 107 3.87 87.83 97.52 3.45 88.35 96.78 5.82 86.37 97.36 6.43 85.52 98.03 4.30 86.45 97.37 3.72 85.80 96.08 3 0 6.00-999 ?-999 ?-999 ? O6 UNL B 500 mASP~B 108 6.46 87.28 96.63 5.87 87.94 96.18 8.59 87.57 97.85 9.60 86.91 98.21 7.90 87.26 96.53 8.38 88.15 95.37 2 0 5.73-999 ?-999 ?-999 ? O8 UNL B 500 mTHR~B 109 8.04 88.50 98.61 7.22 88.92 98.21 8.35 87.81 100.97 9.30 87.42 101.67 8.61 88.88 99.91 8.14 90.29 100.37 2 0 8.35-999 ?-999 ?-999 ? O12 UNL B 500 mVAL~B 110 7.11 87.32 101.09 6.45 87.77 100.49 7.56 84.91 101.78 7.97 84.22 102.70 6.77 86.22 102.03 5.27 85.82 101.93 3 0 -5.74-999 ?-999 ?-999 ? O21 UNL B 500s mSER~B 111 7.72 84.55 100.51 7.32 85.19 99.85 9.93 83.45 100.41 10.54 82.47 100.84 8.43 83.34 100.12 8.15 83.03 98.66 2 0 4.36-999 ?-999 ?-999 ? O14 UNL B 500 mALA~B 112 10.50 84.65 100.20 9.88 85.34 99.82 12.16 84.81 102.02 13.21 84.29 102.42 11.90 84.92 100.52 12.37 86.30 99.96 2 0 6.09-999 ?-999 ?-999 ? O12 UNL B 500 mASP~B 113 11.24 85.32 102.84 10.53 85.84 102.38 11.23 83.62 104.63 11.91 83.15 105.50 11.30 85.11 104.30 10.13 85.78 105.01 2 0 8.39-999 ?-999 ?-999 ? O16 UNL B 500 mPHE~B 114 10.34 82.91 103.97 9.79 83.43 103.32 11.55 80.77 103.95 12.02 80.01 104.79 10.20 81.48 104.19 9.10 80.93 103.28 3 0 5.71-999 ?-999 ?-999 ? O15 UNL B 500 mTYR~B 115 12.19 81.06 102.83 11.75 81.73 102.24 14.53 80.71 103.53 15.29 79.82 103.90 13.45 80.40 102.52 13.91 80.70 101.09 3 0 -7.18-999 ?-999 ?-999 ? O1 UNL B 500s mARG~B 116 14.59 81.95 104.02 13.94 82.60 103.61 15.26 81.58 106.38 16.19 81.29 107.12 15.54 82.29 105.07 15.65 83.79 105.28 2 0 10.81-999 ?-999 ?-999 ? O1 UNL B 500 mALA~B 117 13.99 81.27 106.67 13.34 81.55 105.97 13.95 79.10 107.91 14.29 78.54 108.94 13.62 80.59 107.91 12.13 80.80 108.21 2 0 10.27-999 ?-999 ?-999 ? O15 UNL B 500 mILE~B 118 13.83 78.44 106.77 13.58 79.00 105.99 15.50 76.60 106.28 15.98 75.51 106.61 14.07 76.99 106.72 13.03 76.29 105.83 3 0 10.26-999 ?-999 ?-999 ? O15 UNL B 500 mSER~B 119 16.17 77.48 105.54 15.65 78.32 105.36 18.47 76.57 106.02 19.16 75.62 105.65 17.52 77.24 105.03 18.17 78.54 104.52 2 0 11.91-999 ?-999 ?-999 ? O1 UNL B 500 mARG~B 120 18.49 77.08 107.25 17.85 77.84 107.37 19.07 75.14 108.72 19.94 74.45 109.28 19.38 76.58 108.30 19.28 77.47 109.53 2 0 15.46-999 ?-999 ?-999 ? O1 UNL B 500 mTYR~B 121 17.84 74.69 108.47 17.26 75.34 107.99 17.61 72.26 107.81 17.47 71.07 108.11 17.42 73.35 108.88 15.96 73.36 109.34 3 0 15.23-999 ?-999 ?-999 ? O15 UNL B 500 mVAL~B 122 17.91 72.64 106.57 18.00 73.62 106.43 19.57 71.41 105.18 20.43 72.23 105.51 18.08 71.63 105.51 17.30 71.96 104.21 3 0 14.50-999 ?-999 ?-999 ? O1 UNL B 500 mASP~B 123 19.84 70.28 104.54 19.05 69.70 104.36 21.72 70.96 103.13 21.00 71.82 102.66 21.18 69.94 104.12 21.24 68.53 103.50 2 0 17.10-999 ?-999 ?-999 ? O1 UNL B 500 mALA~B 124 23.02 70.84 102.85 23.45 70.06 103.29 23.27 71.75 100.52 23.22 72.79 99.88 23.74 71.76 101.97 25.25 71.44 102.03 2 0 17.56-999 ?-999 ?-999 ? O10 UNL B 500 mGLY~B 125 22.96 70.57 99.99 23.04 69.80 100.62 21.17 71.09 98.36 20.90 71.64 97.28 22.53 70.45 98.60-999.99-999.99-999.99 1 0 16.20-999 ?-999 ?-999 ? O10 UNL B 500 mTHR~B 126 20.32 71.01 99.38 20.67 70.51 100.17 19.11 73.09 99.60 18.42 73.87 98.97 19.00 71.60 99.34 18.11 70.93 100.39 2 0 13.11-999 ?-999 ?-999 ? O10 UNL B 500 mARG~B 127 19.99 73.50 100.52 20.49 72.76 100.98 20.61 75.65 99.52 20.16 76.76 99.25 20.17 74.92 100.80 21.17 75.15 101.93 2 0 12.87-999 ?-999 ?-999 ? O10 UNL B 500 mASP~B 128 21.45 75.00 98.73 21.67 74.08 99.07 20.90 75.81 96.42 20.96 76.80 95.68 21.98 75.54 97.48 22.99 74.54 96.91 2 0 13.09-999 ?-999 ?-999 ? O10 UNL B 500 mVAL~B 129 19.93 74.91 96.32 20.05 74.12 96.92 18.01 76.30 95.84 17.79 77.21 95.05 18.80 75.07 95.40 17.90 73.80 95.35 3 0 10.12-999 ?-999 ?-999 ? O10 UNL B 500 mILE~B 130 17.63 76.32 97.12 17.88 75.50 97.63 17.68 78.76 97.47 17.13 79.74 96.94 16.92 77.45 97.72 16.75 77.24 99.25 3 0 7.96-999 ?-999 ?-999 ? O10 UNL B 500 mGLU~B 131 18.96 78.78 97.83 19.26 77.93 98.28 19.84 80.45 96.14 19.85 81.66 95.91 19.82 79.94 97.60 21.21 79.70 98.22 2 0 9.78-999 ?-999 ?-999 ? O12 UNL B 500 mGLN~B 132 19.81 79.55 95.16 19.90 78.60 95.46 18.23 80.52 93.49 18.04 81.33 92.61 19.64 79.96 93.75 19.85 78.80 92.78 2 0 9.40-999 ?-999 ?-999 ? O12 UNL B 500 mILE~B 133 17.24 80.06 94.25 17.52 79.36 94.91 15.72 81.97 94.63 14.81 82.69 94.24 15.86 80.54 94.09 14.80 79.55 94.74 3 0 -5.60-999 ?-999 ?-999 ? O12 UNL B 500s mGLN~B 134 16.65 82.39 95.50 17.35 81.71 95.69 17.31 84.81 95.23 18.52 85.03 95.33 16.63 83.74 96.10 17.29 83.70 97.47 2 0 6.21-999 ?-999 ?-999 ? O12 UNL B 500 mTHR~B 139 15.29 92.67 92.23 16.19 92.72 92.67 12.79 92.88 92.52 11.65 93.00 92.04 13.98 92.61 91.59 13.77 91.23 90.95 2 0 11.38-999 ?-999 ?-999 ? O12 UNL B 500 mTHR~B 140 13.03 92.93 93.83 13.99 92.77 94.07 11.76 94.68 94.98 10.62 95.14 95.11 11.98 93.19 94.82 12.31 92.53 96.20 2 0 10.94-999 ?-999 ?-999 ? O12 UNL B 500 mGLU~B 141 12.86 95.44 94.99 13.72 94.94 94.94 12.15 97.47 93.80 11.49 98.50 93.86 12.78 96.89 95.06 14.15 97.52 95.36 2 0 14.72-999 ?-999 ?-999 ? O12 UNL B 500 mVAL~B 142 12.34 96.80 92.66 12.98 96.04 92.73 10.10 97.18 91.64 9.43 98.14 91.26 11.63 97.18 91.43 12.06 96.31 90.18 3 0 15.34-999 ?-999 ?-999 ? O12 UNL B 500 mLEU~B 143 9.55 96.12 92.25 10.21 95.39 92.44 7.71 97.02 93.71 6.68 97.69 93.63 8.11 96.04 92.60 7.70 94.62 93.04 3 0 14.18-999 ?-999 ?-999 ? O12 UNL B 500 mARG~B 144 8.52 97.08 94.77 9.33 96.50 94.70 8.19 99.42 95.53 7.32 100.16 95.99 8.23 97.95 95.92 9.28 97.77 97.02 2 0 15.82-999 ?-999 ?-999 ? O12 UNL B 500 mGLU~B 145 9.13 99.85 94.69 9.77 99.15 94.36 8.05 101.59 93.34 7.58 102.73 93.34 9.17 101.25 94.31 10.54 101.66 93.77 2 0 19.00-999 ?-999 ?-999 ? O12 UNL B 500 mARG~B 146 7.62 100.62 92.53 8.19 99.80 92.56 5.16 101.08 92.48 4.38 101.96 92.13 6.42 100.77 91.67 6.16 99.48 90.89 2 0 19.24-999 ?-999 ?-999 ? O12 UNL B 500 mLEU~B 147 4.99 100.32 93.56 5.72 99.65 93.70 3.93 101.69 95.29 2.98 102.46 95.36 3.85 100.44 94.45 3.76 99.20 95.35 3 0 18.25-999 ?-999 ?-999 ? O22 UNL B 500 mARG~B 148 5.08 101.90 95.94 5.75 101.17 95.79 5.08 104.38 95.99 4.39 105.27 96.49 5.33 103.08 96.77 6.76 103.06 97.34 2 0 19.62-999 ?-999 ?-999 ? O22 UNL B 500 mSER~B 149 5.64 104.48 94.77 6.19 103.69 94.50 3.97 105.85 93.48 3.50 106.97 93.33 5.43 105.69 93.94 6.39 105.75 92.73 2 0 23.18-999 ?-999 ?-999 ? O22 UNL B 500 mALA~B 150 3.27 104.73 93.27 3.79 103.89 93.38 0.97 105.28 94.07 0.04 106.06 93.87 1.84 104.77 92.90 1.35 103.40 92.46 2 0 20.49-999 ?-999 ?-999 ? C1 EDO B 226 mLEU~B 151 1.28 104.81 95.28 2.05 104.18 95.30 0.79 106.67 96.87 -0.06 107.35 97.47 0.52 105.21 96.47 0.82 104.27 97.63 3 0 21.09-999 ?-999 ?-999 ? C1 EDO B 226 mALA~B 152 1.99 107.15 96.54 2.60 106.49 96.11 1.56 109.49 95.90 1.24 110.61 96.28 2.35 108.54 96.81 3.85 108.75 96.63 2 0 24.34-999 ?-999 ?-999 ? O22 UNL B 500 mASP~B 153 1.21 109.02 94.70 1.49 108.08 94.53 -1.01 109.50 93.63 -1.73 110.12 92.85 0.48 109.84 93.73 1.16 109.72 92.36 2 0 24.08-999 ?-999 ?-999 ? C1 EDO B 226 mASP~B 154 -1.47 108.52 94.39 -0.77 108.02 94.91 -3.31 107.63 95.78 -3.42 106.41 95.93 -2.90 108.22 94.44 -3.33 107.32 93.28 2 0 21.42-999 ?-999 ?-999 ? C1 EDO B 226 mPRO~B 155 -3.49 108.49 96.77 -3.15 109.41 96.56 -5.37 107.21 98.03 -5.55 106.48 99.01 -4.11 108.14 98.05 -4.43 109.51 98.64 3 0 22.19-999 ?-999 ?-999 ? C1 EDO B 226 mARG~B 156 -6.22 107.21 96.99 -6.00 107.88 96.28 -7.00 104.80 96.90 -7.73 103.93 97.41 -7.39 106.28 96.93 -8.30 106.54 95.72 2 0 19.33-999 ?-999 ?-999 ? C1 EDO B 226 mLEU~B 157 -5.85 104.52 96.29 -5.41 105.32 95.88 -5.01 102.58 97.58 -5.14 101.38 97.76 -5.29 103.18 96.21 -3.99 103.18 95.38 3 0 16.83-999 ?-999 ?-999 ? C1 EDO B 226 mALA~B 158 -4.62 103.41 98.54 -4.61 104.37 98.26 -5.25 102.00 100.51 -4.92 100.86 100.80 -4.24 102.96 99.89 -4.00 104.15 100.80 2 0 18.93-999 ?-999 ?-999 ? C1 EDO B 226 mSER~B 159 -6.48 102.47 100.71 -6.62 103.40 100.37 -7.82 100.39 100.61 -8.05 99.35 101.22 -7.51 101.68 101.37 -8.79 102.50 101.52 2 0 18.11-999 ?-999 ?-999 ? C1 EDO B 226 mARG~B 160 -7.81 100.45 99.28 -7.59 101.36 98.92 -6.99 98.24 98.46 -7.28 97.04 98.52 -8.11 99.31 98.45 -8.39 99.78 97.02 2 0 14.33-999 ?-999 ?-999 ? C1 EDO B 226 mLEU~B 161 -5.72 98.68 98.38 -5.64 99.67 98.27 -4.39 97.18 99.82 -3.94 96.06 99.96 -4.58 97.77 98.43 -3.29 98.47 97.96 3 0 14.37-999 ?-999 ?-999 ? C1 EDO B 226 mALA~B 162 -4.78 97.94 100.85 -5.10 98.85 100.59 -5.64 96.24 102.39 -5.22 95.22 102.95 -4.73 97.46 102.24 -5.13 98.55 103.22 2 0 13.74-999 ?-999 ?-999 ? O22 UNL B 500 mLEU~B 163 -6.87 96.36 101.88 -7.07 97.27 101.52 -7.34 94.08 101.04 -7.52 92.93 101.41 -7.85 95.25 101.86 -9.17 95.69 101.22 3 0 13.88-999 ?-999 ?-999 ? O22 UNL B 500 mTRP~B 164 -6.76 94.38 99.89 -6.74 95.36 99.69 -5.06 92.65 99.71 -5.03 91.43 99.73 -6.20 93.38 99.00 -5.72 94.04 97.70 3 0 11.99-999 ?-999 ?-999 ? C1 EDO B 226 mGLY~B 165 -4.16 93.41 100.34 -4.30 94.39 100.18 -3.56 91.88 102.24 -2.96 90.83 102.43 -3.08 92.86 101.18-999.99-999.99-999.99 1 0 9.41-999 ?-999 ?-999 ? O22 UNL B 500 mARG~B 166 -4.66 92.20 102.91 -5.04 93.09 102.65 -5.89 90.08 103.38 -5.83 89.00 103.98 -5.25 91.33 103.93 -6.30 92.08 104.73 2 0 9.03-999 ?-999 ?-999 ? O22 UNL B 500 mARG~B 167 -6.56 90.23 102.25 -6.58 91.17 101.90 -6.14 88.11 101.16 -6.30 86.91 101.33 -7.19 89.10 101.59 -8.01 89.60 100.41 2 0 10.05-999 ?-999 ?-999 ? O22 UNL B 500 mLEU~B 168 -5.03 88.63 100.64 -5.06 89.63 100.53 -3.35 87.04 101.47 -3.12 85.82 101.41 -3.89 87.80 100.26 -2.78 88.66 99.59 3 0 7.50-999 ?-999 ?-999 ? O22 UNL B 500 mLEU~B 169 -3.14 87.75 102.58 -3.36 88.73 102.48 -3.59 86.05 104.33 -3.17 84.95 104.62 -2.63 87.13 103.83 -2.42 88.19 104.92 3 0 -4.66-999 ?-999 ?-999 ? O22 UNL B 500s mGLY~B 170 -4.88 86.38 104.40 -5.07 87.32 104.12 -5.99 84.15 104.03 -6.05 83.05 104.56 -5.89 85.43 104.87-999.99-999.99-999.99 1 0 7.55-999 ?-999 ?-999 ? O22 UNL B 500 mGLU~B 171 -6.01 84.31 102.71 -5.94 85.25 102.40 -4.89 82.29 101.87 -5.01 81.09 101.65 -6.11 83.16 101.83 -6.40 83.61 100.39 2 0 8.29-999 ?-999 ?-999 ? O20 UNL B 500 mALA~B 172 -3.71 82.88 102.12 -3.78 83.87 102.24 -2.41 81.32 103.49 -2.10 80.12 103.47 -2.44 82.11 102.21 -1.20 83.03 102.11 2 0 5.02-999 ?-999 ?-999 ? O20 UNL B 500 mLEU~B 173 -2.73 81.99 104.59 -2.94 82.96 104.43 -3.72 80.20 105.96 -3.43 79.19 106.59 -2.76 81.36 105.91 -3.17 82.36 106.99 3 0 4.58-999 ?-999 ?-999 ? O20 UNL B 500 mTHR~B 174 -4.88 80.35 105.32 -5.02 81.23 104.87 -5.30 78.01 104.63 -5.58 76.89 105.04 -5.84 79.25 105.32 -7.18 79.64 104.66 2 0 8.21-999 ?-999 ?-999 ? O20 UNL B 500 mGLN~B 175 -4.58 78.18 103.53 -4.48 79.13 103.23 -2.81 76.45 103.66 -2.63 75.26 103.65 -3.99 77.03 102.86 -3.57 77.36 101.43 2 0 7.57-999 ?-999 ?-999 ? O18 UNL B 500 mALA~B 176 -2.03 77.29 104.33 -2.30 78.25 104.24 -1.41 75.90 106.21 -0.88 74.81 106.46 -0.88 76.81 105.11 -0.11 77.94 105.70 2 0 5.47-999 ?-999 ?-999 ? O18 UNL B 500 mGLN~B 177 -2.48 76.35 106.85 -2.75 77.27 106.59 -3.73 74.22 107.25 -3.62 73.19 107.89 -3.17 75.54 107.84 -4.28 76.39 108.47 2 0 8.58-999 ?-999 ?-999 ? O19 UNL B 500 mARG~B 178 -4.33 74.26 106.07 -4.32 75.16 105.64 -3.87 72.06 105.12 -3.98 70.87 105.42 -4.94 73.05 105.47 -5.84 73.40 104.25 2 0 10.94-999 ?-999 ?-999 ? O18 UNL B 500 mVAL~B 179 -2.80 72.54 104.50 -2.85 73.53 104.32 -0.94 71.03 105.31 -0.24 70.03 105.12 -1.66 71.71 104.11 -0.68 72.50 103.26 3 0 10.02-999 ?-999 ?-999 ? O17 UNL B 500 mSER~B 180 -1.11 71.55 106.53 -1.64 72.40 106.53 -1.32 69.65 108.15 -0.74 68.71 108.64 -0.56 70.91 107.74 -0.58 71.88 108.91 2 0 10.99-999 ?-999 ?-999 ? O17 UNL B 500 mTYR~B 181 -2.63 69.65 107.97 -3.01 70.52 107.67 -3.40 67.50 107.03 -3.38 66.29 107.21 -3.40 68.45 108.22 -4.86 68.78 108.54 3 0 14.44-999 ?-999 ?-999 ? O17 UNL B 500 mGLU~B 182 -3.45 68.04 105.81 -3.38 69.03 105.78 -2.36 66.47 104.17 -2.43 65.36 103.65 -3.62 67.19 104.62 -4.26 67.95 103.44 2 0 14.93-999 ?-999 ?-999 ? O17 UNL B 500 mHIS~B 183 -1.20 67.08 104.39 -1.28 67.90 104.95 1.23 67.29 104.50 2.00 68.01 103.85 0.07 66.56 103.83 0.13 66.75 102.29 3 0 13.94-999 ?-999 ?-999 ? O13 UNL B 500 mALA~B 184 1.32 67.12 105.82 0.65 66.48 106.19 3.70 67.19 106.47 3.86 65.98 106.62 2.32 67.80 106.62 1.91 67.75 108.08 2 0 12.82-999 ?-999 ?-999 ? O17 UNL B 500 mPHE~B 185 4.69 68.04 106.21 4.36 68.98 106.09 7.10 68.64 106.78 8.25 68.29 107.07 6.13 67.65 106.09 6.55 67.59 104.60 3 0 12.59-999 ?-999 ?-999 ? O15 UNL B 500 mLEU~B 186 6.63 69.87 106.99 5.66 69.98 106.80 7.94 70.82 108.91 9.08 71.16 109.24 7.49 70.97 107.46 6.76 72.31 107.26 3 0 10.40-999 ?-999 ?-999 ? O15 UNL B 500 mGLY~B 187 7.06 70.32 109.77 6.16 70.11 109.38 8.61 69.21 111.34 9.35 69.35 112.32 7.40 70.11 111.17-999.99-999.99-999.99 1 0 13.14-999 ?-999 ?-999 ? O17 UNL B 500 mSER~B 188 8.80 68.28 110.41 8.10 68.24 109.69 11.24 68.14 110.14 12.21 68.06 110.90 9.95 67.40 110.46 9.75 66.22 109.50 2 0 15.51-999 ?-999 ?-999 ? O15 UNL B 500 mLEU~B 189 11.24 68.90 109.05 10.36 68.95 108.58 13.00 70.65 109.57 14.16 71.00 109.47 12.46 69.59 108.60 12.26 70.23 107.22 3 0 13.91-999 ?-999 ?-999 ? O15 UNL B 500 mILE~B 190 12.19 71.14 110.51 11.28 70.71 110.52 12.61 71.77 112.92 12.22 70.65 113.26 12.60 72.20 111.45 11.72 73.48 111.28 3 0 14.03-999 ?-999 ?-999 ? O15 UNL B 500 mASP~B 194 9.14 64.65 118.20 10.03 64.50 117.79 6.91 65.66 117.86 7.14 66.84 117.62 7.82 64.87 118.80 7.97 65.62 120.13 2 0 21.96-999 ?-999 ?-999 ? O17 UNL B 500 mSER~B 195 5.86 65.01 117.35 5.77 64.07 117.68 3.94 66.64 117.01 2.97 67.06 116.35 4.93 65.63 116.39 4.16 64.55 115.61 2 0 19.40-999 ?-999 ?-999 ? O17 UNL B 500 mALA~B 196 4.17 67.03 118.27 4.92 66.52 118.70 4.23 69.37 118.93 3.74 70.42 118.52 3.41 68.08 118.95 3.11 67.67 120.39 2 0 19.36-999 ?-999 ?-999 ? O19 UNL B 500 mALA~B 197 5.48 69.27 119.37 5.72 68.37 119.73 6.82 70.76 117.88 7.31 71.86 117.62 6.42 70.39 119.32 7.66 70.08 120.14 2 0 18.54-999 ?-999 ?-999 ? O19 UNL B 500 mALA~B 198 6.62 69.82 116.95 6.31 68.95 117.31 5.76 70.99 115.01 6.04 71.97 114.32 6.85 70.07 115.53 6.85 68.77 114.74 2 0 15.94-999 ?-999 ?-999 ? O17 UNL B 500 mLYS~B 199 4.51 70.68 115.36 4.43 69.84 115.90 3.47 72.92 115.55 3.07 73.89 114.90 3.37 71.50 114.97 2.04 70.84 115.36 2 0 14.14-999 ?-999 ?-999 ? O19 UNL B 500 mGLU~B 200 4.02 73.04 116.74 4.32 72.17 117.14 5.20 75.19 116.65 4.94 76.35 116.38 4.18 74.33 117.40 4.59 74.14 118.87 2 0 14.35-999 ?-999 ?-999 ? O19 UNL B 500 mLEU~B 201 6.36 74.60 116.34 6.40 73.65 116.63 7.03 75.88 114.27 7.50 76.93 113.84 7.45 75.32 115.64 8.66 74.39 115.46 3 0 13.28-999 ?-999 ?-999 ? O19 UNL B 500 mVAL~B 202 6.15 75.14 113.59 5.90 74.29 114.06 4.62 76.71 112.46 4.56 77.58 111.61 5.59 75.54 112.30 4.90 74.34 111.61 3 0 9.96-999 ?-999 ?-999 ? O19 UNL B 500 mSER~B 203 3.86 76.72 113.55 3.97 75.92 114.13 3.75 79.11 114.21 3.36 80.22 113.85 2.96 77.85 113.85 1.97 77.49 114.98 2 0 9.46-999 ?-999 ?-999 ? O19 UNL B 500 mGLY~B 204 4.87 78.93 114.90 5.04 77.99 115.19 6.41 80.56 113.94 6.63 81.75 113.79 5.74 80.04 115.21-999.99-999.99-999.99 1 0 10.71-999 ?-999 ?-999 ? O19 UNL B 500 mLEU~B 205 6.73 79.65 113.03 6.52 78.71 113.30 6.32 80.80 110.92 6.63 81.86 110.39 7.33 80.02 111.75 7.82 78.76 111.02 3 0 8.46-999 ?-999 ?-999 ? O19 UNL B 500 mILE~B 206 5.09 80.29 110.83 4.98 79.42 111.31 3.69 82.32 110.67 3.65 83.31 109.95 4.01 80.95 110.09 2.72 80.10 110.05 3 0 5.23-999 ?-999 ?-999 ? O19 UNL B 500 mALA~B 207 3.48 82.37 111.98 3.54 81.48 112.43 4.26 84.71 112.41 3.91 85.87 112.23 3.21 83.63 112.69 3.08 83.38 114.18 2 0 7.62-999 ?-999 ?-999 ? O21 UNL B 500 mGLY~B 208 5.54 84.31 112.33 5.67 83.34 112.52 6.60 85.77 110.59 6.91 86.94 110.34 6.64 85.24 112.02-999.99-999.99-999.99 1 0 8.14-999 ?-999 ?-999 ? O21 UNL B 500 mLEU~B 209 6.23 84.92 109.64 6.13 83.98 109.97 4.83 86.40 108.16 4.87 87.32 107.34 5.99 85.37 108.25 5.66 84.19 107.33 3 0 4.89-999 ?-999 ?-999 ? O21 UNL B 500 mALA~B 210 3.79 86.22 108.99 3.87 85.42 109.58 3.08 88.49 109.57 2.70 89.54 109.04 2.65 87.14 109.03 1.51 86.57 109.85 2 0 4.62-999 ?-999 ?-999 ? O22 UNL B 500 mGLU~B 211 3.89 88.46 110.64 4.13 87.55 110.95 5.21 90.48 110.28 5.03 91.70 110.16 4.37 89.69 111.27 5.23 89.38 112.50 2 0 8.14-999 ?-999 ?-999 ? O22 UNL B 500 mLYS~B 212 6.12 89.81 109.57 6.16 88.83 109.76 6.17 91.11 107.45 6.46 92.21 106.97 6.99 90.49 108.60 8.09 89.56 108.10 2 0 8.20-999 ?-999 ?-999 ? O22 UNL B 500 mHIS~B 213 5.11 90.40 107.05 5.02 89.52 107.52 3.50 92.17 106.44 3.43 93.14 105.66 4.18 90.87 106.03 3.12 89.80 105.78 3 0 6.00-999 ?-999 ?-999 ? O22 UNL B 500 mSER~B 214 2.99 92.19 107.66 3.15 91.34 108.18 3.18 94.54 108.39 2.72 95.66 108.27 2.28 93.33 108.20 1.63 92.96 109.53 2 0 8.51-999 ?-999 ?-999 ? O22 UNL B 500 mLYS~B 215 4.46 94.32 108.69 4.70 93.36 108.83 5.70 95.98 107.41 5.80 97.19 107.24 5.41 95.42 108.79 6.67 95.00 109.53 2 0 11.28-999 ?-999 ?-999 ? O22 UNL B 500 mARG~B 216 5.84 95.11 106.42 5.84 94.15 106.71 4.80 96.36 104.54 4.98 97.27 103.73 5.99 95.54 105.03 6.20 94.35 104.09 2 0 10.89-999 ?-999 ?-999 ? O22 UNL B 500 mMETB 217 3.59 96.02 105.00 3.59 95.23 105.62 2.42 98.16 105.20 2.04 99.11 104.54 2.40 96.77 104.61 1.11 96.05 105.03 2 0 11.23-999 ?-999 ?-999 ? O22 UNL B 500 mTHR~B 218 2.86 98.27 106.45 3.08 97.39 106.88 4.05 100.40 106.42 3.83 101.59 106.25 3.02 99.55 107.13 3.48 99.36 108.59 2 0 14.24-999 ?-999 ?-999 ? O22 UNL B 500 mGLN~B 219 5.16 99.81 105.99 5.21 98.83 106.20 5.72 101.11 103.93 6.22 102.14 103.47 6.20 100.56 105.28 7.48 99.71 105.12 2 0 15.68-999 ?-999 ?-999 ? O22 UNL B 500 mLEU~B 220 4.76 100.43 103.32 4.51 99.57 103.76 3.03 101.97 102.39 2.42 102.50 101.47 4.12 100.93 102.09 3.49 99.79 101.29 3 0 15.80-999 ?-999 ?-999 ? O22 UNL B 500 mGLY~B 221 2.79 102.23 103.68 3.33 101.68 104.31 0.40 102.73 104.19 -0.54 103.53 104.16 1.82 103.23 104.12-999.99-999.99-999.99 1 0 17.68-999 ?-999 ?-999 ? O22 UNL B 500 mLEU~B 222 0.22 101.42 104.32 1.06 100.89 104.41 -1.56 100.52 105.73 -0.73 100.31 106.62 -1.11 100.85 104.32 -1.15 99.59 103.45 3 0 15.54-999 ?-999 ?-999 ? O22 UNL B 500 mTHR~B 223 -2.88 100.50 105.93 -3.41 100.79 105.14 -3.68 98.57 107.20 -3.02 97.82 106.45 -3.49 100.09 107.19 -4.86 100.78 107.41 2 0 15.60-999 ?-999 ?-999 ? O22 UNL B 500 mTYR~C 11 -28.17 100.65 50.67 -27.94 101.55 51.05 -28.58 99.30 48.58 -28.10 98.36 47.93 -28.50 99.31 50.12 -29.82 98.78 50.73 3 0 16.67-999 ?-999 ?-999 ? O1 UNL C 500 mASN~C 12 -29.18 100.34 47.99 -29.55 101.01 48.64 -27.93 100.58 45.86 -27.62 99.82 44.94 -29.29 100.46 46.53 -30.10 101.69 46.13 2 0 16.61-999 ?-999 ?-999 ? O1 UNL C 500 mARG~C 13 -27.14 101.55 46.32 -27.56 102.12 47.02 -24.99 100.44 46.01 -24.15 100.07 45.16 -25.77 101.74 45.84 -25.07 102.86 46.61 2 0 15.84-999 ?-999 ?-999 ? O1 UNL C 500 mPHE~C 14 -25.31 99.72 47.10 -26.07 100.08 47.64 -25.00 97.24 46.66 -24.14 96.41 46.38 -24.59 98.50 47.44 -24.64 98.26 48.95 3 0 13.08-999 ?-999 ?-999 ? O1 UNL C 500 mVAL~C 15 -26.29 97.08 46.33 -26.90 97.75 46.74 -26.10 96.19 44.03 -25.77 95.24 43.32 -26.73 95.99 45.43 -28.31 95.91 45.36 3 0 11.41-999 ?-999 ?-999 ? O1 UNL C 500 mALA~C 16 -25.94 97.46 43.66 -26.29 98.12 44.32 -23.84 97.48 42.39 -23.31 97.10 41.35 -25.32 97.85 42.42 -25.47 99.33 42.21 2 0 11.68-999 ?-999 ?-999 ? O1 UNL C 500 mASP~C 17 -23.16 97.61 43.53 -23.69 98.03 44.27 -21.70 95.67 43.48 -20.85 95.17 42.76 -21.77 97.17 43.67 -21.18 97.52 45.03 2 0 9.94-999 ?-999 ?-999 ? O1 UNL C 500 mLEU~C 18 -22.61 94.95 44.15 -23.22 95.48 44.73 -22.82 93.09 42.53 -22.06 92.29 42.03 -22.67 93.50 44.01 -23.86 92.93 44.79 3 0 6.87-999 ?-999 ?-999 ? O1 UNL C 500 mPHE~C 19 -23.84 93.61 41.87 -24.42 94.22 42.42 -22.90 93.73 39.59 -22.56 93.03 38.62 -24.08 93.32 40.47 -25.35 94.04 39.96 3 0 7.35-999 ?-999 ?-999 ? O1 UNL C 500 mGLY~C 20 -22.30 94.87 39.92 -22.72 95.35 40.69 -19.97 94.38 39.29 -19.34 94.09 38.28 -21.13 95.36 39.22-999.99-999.99-999.99 1 0 8.42-999 ?-999 ?-999 ? O1 UNL C 500 mMETC 21 -19.70 93.85 40.47 -20.28 94.17 41.22 -18.94 91.61 39.87 -18.11 91.08 39.12 -18.62 92.88 40.63 -18.42 92.52 42.08 2 0 -5.66-999 ?-999 ?-999 ? O1 UNL C 500s mMETC 22 -20.15 91.11 40.11 -20.65 91.60 40.82 -20.53 90.09 37.84 -19.96 89.24 37.17 -20.67 89.95 39.39 -22.15 89.74 39.75 2 0 -3.71-999 ?-999 ?-999 ? O1 UNL C 500s mALA~C 23 -21.05 91.18 37.28 -21.46 91.82 37.93 -19.57 91.35 35.35 -19.28 90.68 34.38 -21.01 91.39 35.84 -21.68 92.70 35.46 2 0 6.75-999 ?-999 ?-999 ? C9 UNL C 500 mTYR~C 24 -18.66 92.02 36.06 -19.02 92.49 36.86 -16.60 90.66 35.78 -15.80 90.25 34.93 -17.26 92.03 35.64 -16.41 93.13 36.34 3 0 7.21-999 ?-999 ?-999 ? C9 UNL C 500 mGLY~C 25 -16.93 89.94 36.85 -17.54 90.41 37.49 -16.86 87.68 35.92 -16.07 86.87 35.43 -16.43 88.60 37.05-999.99-999.99-999.99 1 0 3.77-999 ?-999 ?-999 ? O6 UNL C 500 mGLU~C 26 -18.13 87.81 35.53 -18.62 88.52 36.02 -18.17 87.27 33.11 -17.90 86.34 32.34 -18.74 86.99 34.49 -20.25 87.21 34.50 2 0 -4.44-999 ?-999 ?-999 ? O7 UNL C 500s mLEU~C 27 -18.00 88.55 32.78 -18.33 89.20 33.47 -15.95 88.40 31.34 -15.58 87.85 30.27 -17.38 88.96 31.51 -17.35 90.48 31.43 3 0 8.08-999 ?-999 ?-999 ? O7 UNL C 500 mSER~C 28 -15.15 88.58 32.38 -15.57 89.10 33.13 -13.71 86.55 32.34 -12.87 86.02 31.65 -13.77 88.07 32.41 -13.08 88.52 33.68 2 0 7.50-999 ?-999 ?-999 ? O6 UNL C 500 mALA~C 29 -14.58 85.88 33.07 -15.15 86.46 33.66 -14.97 83.94 31.59 -14.33 83.01 31.10 -14.70 84.42 33.02 -15.81 83.96 33.94 2 0 6.09-999 ?-999 ?-999 ? O6 UNL C 500 mPHE~C 30 -15.92 84.59 30.92 -16.41 85.27 31.46 -14.94 84.45 28.67 -14.63 83.61 27.85 -16.20 84.30 29.52 -17.33 85.20 29.01 3 0 8.60-999 ?-999 ?-999 ? O11 UNL C 500 mGLU~C 31 -14.23 85.54 28.86 -14.58 86.14 29.58 -11.93 84.80 28.30 -11.26 84.35 27.36 -13.03 85.83 28.07 -12.52 87.25 28.39 2 0 11.27-999 ?-999 ?-999 ? O6 UNL C 500 mARG~C 32 -11.75 84.42 29.55 -12.38 84.84 30.21 -11.03 82.04 29.48 -10.19 81.36 28.91 -10.71 83.47 29.91 -10.45 83.55 31.43 2 0 10.77-999 ?-999 ?-999 ? O6 UNL C 500 mPHE~C 33 -12.25 81.58 29.74 -12.86 82.24 30.17 -12.70 79.97 27.88 -12.23 78.96 27.36 -12.63 80.20 29.41 -13.95 79.83 30.04 3 0 11.05-999 ?-999 ?-999 ? O7 UNL C 500 mSER~C 34 -13.26 80.93 27.17 -13.66 81.67 27.70 -11.88 80.83 25.15 -11.63 80.04 24.26 -13.29 80.89 25.73 -14.06 82.10 25.18 2 0 13.48-999 ?-999 ?-999 ? O11 UNL C 500 mALA~C 35 -10.96 81.65 25.66 -11.33 82.31 26.32 -8.86 80.26 25.64 -8.03 79.76 24.90 -9.55 81.58 25.28 -8.77 82.73 25.89 2 0 15.64-999 ?-999 ?-999 ? O6 UNL C 500 mASP~C 36 -9.20 79.73 26.80 -9.88 80.29 27.29 -9.07 77.24 26.48 -8.30 76.27 26.37 -8.66 78.47 27.30 -9.07 78.32 28.78 2 0 15.49-999 ?-999 ?-999 ? O6 UNL C 500 mALA~C 37 -10.27 77.29 25.91 -10.73 78.16 26.08 -10.02 75.75 23.95 -10.01 74.56 23.65 -10.87 76.23 25.12 -12.24 76.68 24.60 2 0 16.80-999 ?-999 ?-999 ? O11 UNL C 500 mARG~C 38 -9.36 76.68 23.25 -9.52 77.60 23.60 -7.48 75.27 22.34 -7.16 74.44 21.45 -8.51 76.36 22.08 -7.73 77.61 21.65 2 0 -15.42-999 ?-999 ?-999 ? O6 UNL D 500s mTYR~C 39 -6.97 75.25 23.57 -7.40 75.88 24.21 -6.33 73.05 24.47 -5.54 72.36 25.11 -5.86 74.38 23.93 -4.97 75.03 24.99 3 0 18.90-999 ?-999 ?-999 ? O6 UNL D 500 mSER~C 40 -7.58 72.66 24.18 -8.09 73.28 23.59 -7.35 70.23 24.11 -6.84 70.32 23.00 -8.11 71.41 24.73 -9.62 71.30 24.51 2 0 19.57-999 ?-999 ?-999 ? O6 UNL D 500 mPRO~C 41 -7.25 69.12 24.85 -7.76 69.10 25.71 -7.01 67.26 23.18 -6.28 66.58 22.45 -6.43 68.02 24.37 -6.31 67.13 25.60 3 0 21.84-999 ?-999 ?-999 ? O6 UNL D 500 mTHR~C 42 -8.32 67.33 23.01 -8.81 67.88 23.69 -10.03 67.57 21.37 -10.47 68.50 22.06 -8.96 66.66 21.90 -9.64 65.33 22.36 2 0 20.03-999 ?-999 ?-999 ? O6 UNL D 500 mLEU~C 43 -10.45 67.28 20.15 -9.94 66.54 19.71 -12.85 67.78 20.31 -13.62 68.72 20.49 -11.56 67.97 19.52 -11.71 67.51 18.07 3 0 16.62-999 ?-999 ?-999 ? C9 UNL D 500 mHIS~C 44 -13.08 66.58 20.83 -12.40 65.90 20.57 -14.34 67.29 22.90 -15.43 67.77 23.20 -14.23 66.32 21.73 -14.16 64.89 22.27 3 0 18.39-999 ?-999 ?-999 ? C9 UNL D 500 mASP~C 45 -13.20 67.59 23.53 -12.39 67.14 23.15 -13.15 70.00 24.38 -13.21 70.79 25.32 -13.13 68.51 24.68 -11.87 68.22 25.51 2 0 19.53-999 ?-999 ?-999 ? C9 UNL D 500 mARG~C 46 -13.11 70.40 23.11 -13.04 69.65 22.45 -14.38 72.58 23.34 -14.26 73.67 23.90 -13.16 71.85 22.77 -13.16 72.08 21.25 2 0 16.14-999 ?-999 ?-999 ? O6 UNL D 500 mALA~C 47 -15.55 71.98 23.15 -15.47 71.08 22.72 -17.04 72.62 25.07 -17.90 73.35 25.53 -16.82 72.57 23.55 -17.96 71.81 22.87 2 0 15.24-999 ?-999 ?-999 ? O11 UNL D 500 mVAL~C 48 -16.25 71.85 25.84 -15.56 71.33 25.35 -16.31 73.24 27.91 -17.22 73.70 28.58 -16.43 71.82 27.31 -15.42 70.86 28.04 3 0 15.24-999 ?-999 ?-999 ? O11 UNL C 500 mLEU~C 49 -15.19 73.90 27.67 -14.53 73.41 27.10 -15.69 76.31 27.41 -16.01 77.36 27.95 -14.96 75.24 28.22 -13.46 75.55 28.36 3 0 12.96-999 ?-999 ?-999 ? O11 UNL C 500 mGLY~C 50 -15.93 76.07 26.12 -15.51 75.22 25.78 -18.16 77.16 25.84 -18.69 78.28 25.91 -16.75 76.98 25.30-999.99-999.99-999.99 1 0 13.40-999 ?-999 ?-999 ? O11 UNL C 500 mARG~C 51 -18.75 76.04 26.26 -18.20 75.22 26.14 -20.16 76.83 28.14 -21.06 77.62 28.30 -20.09 76.04 26.84 -20.59 74.61 27.07 2 0 11.86-999 ?-999 ?-999 ? O11 UNL C 500 mILE~C 52 -19.23 76.61 29.06 -18.59 75.89 28.82 -18.95 78.87 30.00 -19.50 79.72 30.68 -19.19 77.40 30.31 -17.99 77.02 31.25 3 0 8.54-999 ?-999 ?-999 ? O11 UNL C 500 mALA~C 53 -18.06 79.14 29.04 -17.61 78.33 28.67 -19.06 81.22 28.17 -19.31 82.34 28.59 -17.77 80.53 28.59 -16.79 80.54 27.45 2 0 8.87-999 ?-999 ?-999 ? O11 UNL C 500 mVAL~C 54 -19.87 80.56 27.34 -19.53 79.65 27.10 -22.14 81.36 27.98 -22.81 82.37 27.99 -21.12 81.12 26.85 -21.72 80.27 25.67 3 0 9.63-999 ?-999 ?-999 ? O11 UNL C 500 mVAL~C 55 -22.26 80.43 28.92 -21.71 79.62 28.76 -22.73 81.83 30.91 -23.58 82.61 31.34 -23.14 80.60 30.08 -23.14 79.33 30.97 3 0 6.90-999 ?-999 ?-999 ? O11 UNL C 500 mGLU~C 56 -21.42 82.03 31.08 -20.85 81.30 30.69 -21.28 84.52 31.09 -21.69 85.47 31.74 -20.89 83.20 31.78 -19.36 83.12 31.86 2 0 -4.53-999 ?-999 ?-999 ? O11 UNL C 500s mPHE~C 57 -21.13 84.58 29.77 -20.71 83.77 29.36 -23.05 86.04 29.19 -23.46 87.19 29.29 -21.55 85.78 29.02 -21.23 85.65 27.53 3 0 7.73-999 ?-999 ?-999 ? O11 UNL C 500 mARG~C 58 -23.85 84.96 29.21 -23.37 84.09 29.10 -25.62 85.65 30.75 -26.57 86.44 30.90 -25.30 85.05 29.38 -25.95 83.66 29.18 2 0 8.17-999 ?-999 ?-999 ? O11 UNL C 500 mHIS~C 59 -24.84 85.26 31.75 -24.17 84.56 31.50 -24.65 87.35 33.08 -25.41 88.18 33.61 -24.99 85.84 33.09 -24.11 85.09 34.11 3 0 -5.54-999 ?-999 ?-999 ? O11 UNL C 500s mTYR~C 60 -23.50 87.68 32.49 -22.98 86.90 32.15 -24.13 89.93 31.74 -24.38 91.04 32.21 -23.05 89.06 32.35 -21.76 89.15 31.50 3 0 7.33-999 ?-999 ?-999 ? O11 UNL C 500 mGLU~C 61 -24.78 89.44 30.68 -24.46 88.53 30.39 -27.13 90.37 30.87 -27.79 91.41 30.80 -25.86 90.18 30.02 -26.22 89.54 28.68 2 0 10.45-999 ?-999 ?-999 ? O11 UNL C 500 mLEU~C 62 -27.45 89.35 31.64 -26.85 88.56 31.54 -28.33 90.39 33.69 -29.20 91.16 34.03 -28.58 89.38 32.55 -28.83 87.96 33.07 3 0 10.02-999 ?-999 ?-999 ? O10 UNL C 500 mVAL~C 63 -27.14 90.38 34.27 -26.52 89.69 33.90 -26.63 92.75 34.80 -27.13 93.71 35.40 -26.78 91.31 35.35 -25.46 90.88 36.08 3 0 8.73-999 ?-999 ?-999 ? O10 UNL C 500 mSER~C 64 -25.96 92.87 33.66 -25.56 92.02 33.33 -27.19 94.78 32.69 -27.32 95.98 32.81 -25.84 94.15 32.97 -25.12 93.98 31.61 2 0 11.48-999 ?-999 ?-999 ? O10 UNL C 500 mALA~C 65 -28.17 93.98 32.28 -27.90 93.02 32.19 -30.22 94.90 33.25 -30.86 95.95 33.29 -29.51 94.48 31.98 -30.32 93.43 31.23 2 0 13.90-999 ?-999 ?-999 ? O10 UNL C 500 mARG~C 66 -30.11 94.09 34.30 -29.64 93.23 34.11 -30.06 95.79 36.10 -30.79 96.62 36.61 -30.64 94.46 35.62 -30.37 93.36 36.65 2 0 13.41-999 ?-999 ?-999 ? O10 UNL C 500 mLEU~C 67 -28.76 96.00 35.95 -28.27 95.21 35.57 -28.79 98.44 35.56 -29.22 99.41 36.19 -28.13 97.28 36.30 -26.61 97.25 36.06 3 0 14.04-999 ?-999 ?-999 ? O1 UNL C 500 mGLU~C 68 -28.91 98.34 34.24 -28.53 97.50 33.85 -31.03 99.61 33.89 -31.50 100.75 33.94 -29.57 99.40 33.45 -29.52 99.13 31.92 2 0 17.24-999 ?-999 ?-999 ? O10 UNL C 500 mALA~C 69 -31.75 98.53 34.21 -31.25 97.67 34.10 -33.27 99.41 35.98 -34.26 100.14 36.20 -33.15 98.61 34.67 -33.76 97.22 34.84 2 0 18.28-999 ?-999 ?-999 ? O10 UNL C 500 mMETC 70 -32.27 99.27 36.85 -31.58 98.59 36.59 -31.76 101.48 37.77 -31.56 102.28 38.69 -32.20 100.06 38.07 -31.17 99.49 39.02 2 0 18.05-999 ?-999 ?-999 ? O1 UNL C 500 mGLY~C 71 -31.55 101.79 36.50 -31.72 101.03 35.87 -29.66 103.39 36.31 -29.25 104.54 36.31 -31.12 103.11 36.07-999.99-999.99-999.99 1 0 20.15-999 ?-999 ?-999 ? O1 UNL C 500 mILE~C 72 -28.87 102.32 36.48 -29.36 101.46 36.39 -26.60 102.05 35.56 -26.90 101.09 34.85 -27.42 102.40 36.78 -26.99 101.39 37.86 3 0 17.51-999 ?-999 ?-999 ? O1 UNL C 500 mASP~C 73 -25.52 102.79 35.34 -25.36 103.51 36.01 -23.74 101.33 34.43 -22.86 101.41 35.28 -24.68 102.53 34.17 -23.92 103.80 33.79 2 0 17.63-999 ?-999 ?-999 ? O1 UNL C 500 mALA~C 74 -23.95 100.24 33.70 -24.66 100.37 33.00 -21.68 99.09 34.01 -21.08 98.57 34.94 -23.22 98.96 33.90 -23.58 97.95 32.81 2 0 14.45-999 ?-999 ?-999 ? O1 UNL C 500 mGLU~C 75 -21.07 99.79 33.07 -21.69 100.13 32.36 -19.16 100.78 34.33 -18.12 100.47 34.90 -19.62 100.02 33.08 -19.18 100.78 31.83 2 0 15.33-999 ?-999 ?-999 ? C9 UNL C 500 mASP~C 76 -19.92 101.79 34.75 -20.72 101.96 34.18 -19.63 101.71 37.22 -18.80 101.87 38.10 -19.59 102.55 35.96 -20.50 103.77 36.07 2 0 16.21-999 ?-999 ?-999 ? O1 UNL C 500 mALA~C 77 -20.60 100.80 37.30 -21.21 100.79 36.52 -19.64 98.82 38.44 -19.27 98.30 39.49 -20.72 99.91 38.45 -22.10 99.27 38.47 2 0 12.92-999 ?-999 ?-999 ? O1 UNL C 500 mMETC 78 -19.14 98.46 37.26 -19.53 98.96 36.48 -16.72 97.95 37.40 -15.92 97.23 38.01 -18.13 97.43 37.13 -18.14 96.83 35.73 2 0 11.18-999 ?-999 ?-999 ? O1 UNL C 500 mLEU~C 79 -16.42 99.18 36.96 -17.21 99.65 36.58 -14.28 99.53 38.31 -13.09 99.24 38.24 -15.06 99.76 37.03 -15.06 101.27 36.74 3 0 14.01-999 ?-999 ?-999 ? O3 UNL C 500 mPRO~C 80 -14.92 99.71 39.48 -15.89 99.96 39.40 -13.67 98.15 41.03 -12.82 98.00 41.91 -14.20 99.54 40.75 -15.25 99.91 41.81 3 0 13.31-999 ?-999 ?-999 ? O1 UNL C 500 mPHE~C 81 -14.14 97.14 40.30 -14.77 97.44 39.59 -12.80 95.20 39.49 -12.28 94.10 39.65 -13.75 95.75 40.53 -15.00 94.90 40.59 3 0 10.22-999 ?-999 ?-999 ? O3 UNL C 500 mGLN~C 82 -12.57 95.99 38.45 -13.03 96.88 38.51 -10.29 95.24 37.72 -9.79 94.22 37.26 -11.73 95.61 37.34 -11.72 96.72 36.28 2 0 11.57-999 ?-999 ?-999 ? O6 UNL C 500 mALA~C 83 -9.63 96.07 38.53 -10.18 96.85 38.84 -8.06 94.56 39.69 -7.16 93.76 39.40 -8.23 95.85 38.91 -7.68 97.03 39.74 2 0 13.55-999 ?-999 ?-999 ? O6 UNL C 500 mALA~C 84 -8.93 94.38 40.68 -9.57 95.14 40.80 -9.27 91.88 40.73 -8.63 90.87 40.94 -8.95 93.17 41.52 -9.93 93.36 42.65 2 0 10.93-999 ?-999 ?-999 ? O16 UNL C 500 mVAL~C 85 -10.26 91.91 39.84 -10.74 92.78 39.81 -9.45 90.46 38.00 -9.01 89.31 37.89 -10.59 90.75 39.00 -11.95 90.95 38.24 3 0 8.20-999 ?-999 ?-999 ? O6 UNL C 500 mASP~C 86 -8.96 91.49 37.31 -9.45 92.35 37.48 -6.59 90.81 37.08 -5.90 89.95 36.54 -7.83 91.36 36.38 -7.46 92.73 35.77 2 0 10.99-999 ?-999 ?-999 ? O6 UNL C 500 mTYR~C 87 -6.33 91.29 38.28 -7.01 91.94 38.64 -5.25 89.43 39.35 -4.28 88.69 39.16 -5.15 90.90 39.01 -4.96 91.75 40.26 3 0 12.81-999 ?-999 ?-999 ? O6 UNL C 500 mPHE~C 88 -6.43 89.00 39.82 -7.10 89.73 39.95 -6.35 86.65 38.94 -5.74 85.60 39.11 -6.67 87.58 40.13 -8.10 87.38 40.61 3 0 10.34-999 ?-999 ?-999 ? O6 UNL C 500 mHIS~C 89 -6.74 87.04 37.74 -7.19 87.94 37.71 -5.09 86.22 36.14 -4.59 85.22 35.67 -6.51 86.21 36.57 -7.39 86.61 35.40 3 0 10.40-999 ?-999 ?-999 ? O6 UNL C 500 mSER~C 90 -4.44 87.36 36.28 -5.00 88.12 36.63 -2.22 86.61 36.93 -1.13 86.17 36.60 -3.04 87.48 35.97 -2.61 88.94 36.06 2 0 14.06-999 ?-999 ?-999 ? O6 UNL C 500 mARG~C 91 -2.74 86.37 38.13 -3.63 86.82 38.28 -2.51 84.05 39.05 -2.03 83.23 39.80 -2.07 85.52 39.14 -2.37 86.04 40.54 2 0 14.19-999 ?-999 ?-999 ? O22 UNL C 500 mTHR~C 92 -3.43 83.73 38.14 -3.74 84.50 37.59 -3.96 82.04 36.49 -4.95 81.59 35.94 -3.93 82.38 37.98 -5.32 82.23 38.69 2 0 13.04-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 93 -2.83 82.27 35.83 -2.14 82.71 36.39 -2.40 80.37 34.31 -1.37 79.87 34.78 -2.65 81.89 34.40 -1.43 82.61 33.80 2 0 15.02-999 ?-999 ?-999 ? O6 UNL C 500 mPRO~C 94 -3.34 79.64 33.69 -4.11 80.14 33.30 -2.06 77.76 32.72 -1.83 78.39 31.70 -3.19 78.19 33.64 -4.54 77.72 33.12 3 0 16.01-999 ?-999 ?-999 ? O6 UNL C 500 mALA~C 95 -1.34 76.72 33.11 -1.63 76.32 33.98 -0.71 75.36 31.16 -0.04 75.21 30.16 -0.22 76.22 32.31 0.76 75.45 33.18 2 0 19.80-999 ?-999 ?-999 ? O6 UNL C 500 mASP~C 96 -1.90 74.77 31.31 -2.35 74.96 32.18 -3.95 73.81 30.41 -4.53 74.46 31.28 -2.45 73.92 30.24 -1.78 72.53 30.25 2 0 20.03-999 ?-999 ?-999 ? O6 UNL C 500 mTRP~C 97 -4.58 73.02 29.56 -3.98 72.53 28.93 -6.61 72.28 30.86 -7.72 72.63 31.29 -6.03 72.90 29.57 -6.45 72.12 28.35 3 0 18.66-999 ?-999 ?-999 ? O6 UNL C 500 mTYR~C 98 -5.89 71.34 31.45 -5.04 71.11 30.97 -6.40 71.77 33.85 -7.34 71.79 34.63 -6.32 70.73 32.71 -5.42 69.53 33.06 3 0 18.78-999 ?-999 ?-999 ? O6 UNL C 500 mGLU~C 99 -5.43 72.66 33.91 -4.68 72.52 33.27 -6.67 74.69 34.54 -7.35 75.18 35.42 -5.49 73.75 34.88 -4.16 74.48 34.96 2 0 16.35-999 ?-999 ?-999 ? O22 UNL C 500 mSER~C 100 -6.91 74.90 33.26 -6.25 74.48 32.63 -9.35 75.09 33.24 -10.19 75.78 33.78 -8.03 75.71 32.83 -7.98 75.96 31.32 2 0 14.13-999 ?-999 ?-999 ? O6 UNL C 500 mLEU~C 101 -9.51 73.78 32.99 -8.75 73.38 32.48 -10.89 73.15 34.93 -11.99 73.48 35.36 -10.66 73.01 33.43 -10.48 71.52 33.09 3 0 14.33-999 ?-999 ?-999 ? O7 UNL C 500 mMETC 102 -9.83 72.89 35.70 -9.03 72.59 35.18 -10.20 74.44 37.61 -11.02 74.63 38.51 -9.82 73.04 37.16 -8.42 72.68 37.67 2 0 13.58-999 ?-999 ?-999 ? O22 UNL C 500 mLYS~C 103 -9.61 75.45 36.99 -8.94 75.17 36.30 -11.43 77.08 37.11 -12.07 77.70 37.96 -9.93 76.83 37.30 -9.07 77.80 36.45 2 0 10.84-999 ?-999 ?-999 ? O6 UNL C 500 mALA~C 104 -11.98 76.59 36.01 -11.35 76.08 35.44 -14.29 76.17 36.75 -15.27 76.77 37.20 -13.40 76.80 35.69 -13.71 76.24 34.27 2 0 9.22-999 ?-999 ?-999 ? O7 UNL C 500 mTYR~C 105 -13.95 74.95 37.15 -13.16 74.57 36.66 -14.61 74.93 39.54 -15.63 75.05 40.21 -14.67 74.22 38.18 -14.13 72.79 38.27 3 0 10.32-999 ?-999 ?-999 ? O8 UNL C 500 mVAL~C 106 -13.41 75.35 39.96 -12.66 75.13 39.33 -14.03 77.37 41.25 -14.77 77.62 42.19 -13.22 76.06 41.23 -11.73 76.38 41.48 3 0 8.37-999 ?-999 ?-999 ? O22 UNL C 500 mILE~C 107 -13.86 78.20 40.22 -13.18 77.89 39.55 -16.14 79.23 40.04 -16.90 80.05 40.53 -14.62 79.45 40.11 -14.20 80.29 38.87 3 0 6.27-999 ?-999 ?-999 ? O6 UNL C 500 mASP~C 108 -16.56 78.13 39.44 -15.83 77.54 39.10 -18.66 77.39 40.59 -19.82 77.69 40.84 -17.99 77.83 39.29 -18.18 76.71 38.28 2 0 5.76-999 ?-999 ?-999 ? O8 UNL C 500 mTHR~C 109 -17.92 76.64 41.39 -16.98 76.50 41.09 -18.44 77.09 43.72 -19.40 77.20 44.47 -18.46 76.07 42.61 -17.68 74.83 43.01 2 0 8.31-999 ?-999 ?-999 ? O12 UNL C 500 mVAL~C 110 -17.36 77.86 43.80 -16.67 77.67 43.11 -18.27 79.97 44.61 -18.88 80.44 45.56 -17.24 78.88 44.83 -15.80 79.45 44.92 3 0 6.05-999 ?-999 ?-999 ? O15 UNL C 500 mSER~C 111 -18.44 80.40 43.35 -17.84 79.98 42.68 -20.85 80.94 43.43 -21.61 81.67 44.04 -19.45 81.42 43.04 -19.42 81.79 41.57 2 0 -4.15-999 ?-999 ?-999 ? O13 UNL C 500s mALA~C 112 -21.19 79.69 43.10 -20.49 79.19 42.61 -22.72 79.14 44.95 -23.81 79.48 45.43 -22.52 79.15 43.44 -22.69 77.75 42.89 2 0 5.86-999 ?-999 ?-999 ? O12 UNL C 500 mASP~C 113 -21.68 78.74 45.69 -20.90 78.44 45.15 -21.93 80.15 47.71 -22.74 80.34 48.61 -21.70 78.75 47.17 -20.38 78.22 47.72 2 0 8.20-999 ?-999 ?-999 ? O15 UNL C 500 mPHE~C 114 -21.18 81.11 47.17 -20.52 80.79 46.50 -22.77 83.00 47.32 -23.35 83.67 48.18 -21.33 82.51 47.55 -20.34 83.36 46.76 3 0 5.82-999 ?-999 ?-999 ? O15 UNL C 500 mTYR~C 115 -23.34 82.62 46.18 -22.78 82.04 45.60 -25.72 82.53 46.85 -26.60 83.26 47.27 -24.70 83.07 45.86 -25.08 82.73 44.41 3 0 -6.99-999 ?-999 ?-999 ? O13 UNL C 500s mARG~C 116 -25.59 81.27 47.22 -24.86 80.76 46.77 -26.25 81.41 49.56 -27.21 81.61 50.31 -26.46 80.70 48.23 -26.22 79.21 48.38 2 0 10.46-999 ?-999 ?-999 ? O13 UNL C 500 mALA~C 117 -25.02 81.81 49.86 -24.34 81.60 49.16 -25.37 83.89 51.21 -26.07 84.17 52.17 -24.71 82.50 51.12 -23.20 82.63 51.32 2 0 10.37-999 ?-999 ?-999 ? O17 UNL C 500 mILE~C 118 -25.15 84.73 50.20 -24.60 84.34 49.46 -27.17 86.20 49.91 -27.78 87.24 50.14 -25.67 86.10 50.21 -24.91 87.07 49.25 3 0 9.98-999 ?-999 ?-999 ? O14 UNL C 500 mSER~C 119 -27.76 85.11 49.41 -27.15 84.32 49.32 -30.09 85.40 50.22 -31.24 85.80 50.05 -29.17 85.11 49.03 -29.58 83.76 48.41 2 0 11.90-999 ?-999 ?-999 ? O1 UNL C 500 mARG~C 120 -29.57 85.19 51.43 -28.62 84.88 51.41 -30.42 86.86 53.05 -31.43 87.29 53.61 -30.33 85.39 52.66 -29.67 84.61 53.81 2 0 15.06-999 ?-999 ?-999 ? O1 UNL C 500 mTYR~C 121 -29.38 87.63 52.74 -28.67 87.15 52.22 -29.86 90.05 52.11 -29.90 91.25 52.38 -29.29 89.05 53.12 -27.84 89.42 53.42 3 0 14.62-999 ?-999 ?-999 ? O1 UNL C 500 mVAL~C 122 -30.29 89.57 50.94 -30.20 88.58 50.85 -32.36 90.29 49.76 -32.95 89.31 50.24 -30.85 90.45 49.91 -30.22 90.15 48.54 3 0 13.83-999 ?-999 ?-999 ? O1 UNL C 500 mASP~C 123 -32.97 91.26 49.08 -32.36 91.99 48.77 -34.76 90.13 47.82 -33.88 89.60 47.13 -34.41 91.24 48.80 -34.88 92.60 48.26 2 0 16.48-999 ?-999 ?-999 ? O1 UNL C 500 mALA~C 124 -36.05 89.81 47.74 -36.65 90.39 48.29 -36.29 88.94 45.40 -36.09 87.98 44.66 -36.53 88.71 46.90 -38.01 88.42 47.17 2 0 17.43-999 ?-999 ?-999 ? O1 UNL C 500 mGLY~C 125 -36.28 90.21 44.98 -36.48 90.88 45.69 -34.52 90.35 43.21 -34.23 89.89 42.10 -35.98 90.57 43.59-999.99-999.99-999.99 1 0 16.32-999 ?-999 ?-999 ? O10 UNL C 500 mTHR~C 126 -33.62 90.70 44.13 -34.01 91.11 44.94 -31.88 89.01 44.03 -31.10 88.48 43.24 -32.17 90.49 43.94 -31.34 91.27 45.00 2 0 12.84-999 ?-999 ?-999 ? O1 UNL C 500 mARG~C 127 -32.49 88.34 45.01 -33.03 88.92 45.62 -32.88 86.18 43.89 -32.38 85.12 43.52 -32.38 86.89 45.15 -33.19 86.41 46.36 2 0 12.91-999 ?-999 ?-999 ? O10 UNL C 500 mASP~C 128 -33.87 86.79 43.23 -34.16 87.65 43.65 -33.44 86.23 40.88 -33.29 85.22 40.20 -34.46 86.24 42.02 -35.69 87.07 41.62 2 0 13.40-999 ?-999 ?-999 ? O10 UNL C 500 mVAL~C 129 -32.73 87.34 40.71 -33.01 88.09 41.31 -30.49 86.49 40.01 -29.84 85.98 39.10 -31.66 87.44 39.71 -31.11 88.89 39.64 3 0 10.41-999 ?-999 ?-999 ? O10 UNL C 500 mILE~C 130 -30.22 86.25 41.28 -30.84 86.73 41.91 -29.43 83.90 41.44 -28.54 83.14 41.06 -29.13 85.37 41.72 -28.83 85.57 43.24 3 0 8.24-999 ?-999 ?-999 ? O10 UNL C 500 mGLU~C 131 -30.69 83.50 41.63 -31.29 84.24 41.95 -31.22 81.77 39.91 -31.15 80.60 39.55 -31.13 82.12 41.39 -32.46 81.82 42.09 2 0 9.45-999 ?-999 ?-999 ? O12 UNL C 500 mGLN~C 132 -31.35 82.79 39.05 -31.48 83.68 39.49 -29.90 82.36 37.13 -29.68 81.57 36.22 -31.32 82.60 37.61 -31.90 83.81 36.90 2 0 9.24-999 ?-999 ?-999 ? O12 UNL C 500 mILE~C 133 -28.94 83.05 37.74 -29.30 83.68 38.43 -26.91 81.66 38.08 -25.90 81.15 37.60 -27.52 82.90 37.45 -26.74 84.12 38.01 3 0 -5.52-999 ?-999 ?-999 ? O12 UNL C 500s mGLN~C 134 -27.52 81.17 39.16 -28.42 81.57 39.34 -26.64 78.83 39.28 -27.56 78.22 38.73 -26.90 80.14 40.01 -27.72 79.91 41.28 2 0 5.44-999 ?-999 ?-999 ? O12 UNL C 500 mALA~C 135 -25.37 78.41 39.30 -24.77 79.01 39.84 -25.59 75.91 39.03 -25.59 75.56 40.22 -24.88 77.21 38.60 -23.36 77.07 38.82 2 0 5.79-999 ?-999 ?-999 ? O12 UNL C 500 mSER~C 136 -26.18 75.21 38.05 -26.10 75.63 37.15 -25.92 72.90 38.89 -24.70 72.96 38.69 -26.87 73.94 38.31 -27.50 73.38 37.03 2 0 9.62-999 ?-999 ?-999 ? O12 UNL C 500 mASP~C 137 -26.48 71.94 39.62 -27.47 72.03 39.74 -25.09 70.00 39.04 -23.93 69.57 39.13 -25.69 70.85 40.18 -26.56 69.99 41.10 2 0 12.12-999 ?-999 ?-999 ? O12 UNL C 500 mGLU~C 138 -25.87 69.80 37.97 -26.75 70.26 38.04 -24.37 69.66 35.95 -23.55 68.97 35.33 -25.46 69.00 36.80 -26.67 68.71 35.90 2 0 13.83-999 ?-999 ?-999 ? O12 UNL C 500 mTHR~C 139 -24.39 70.99 35.91 -25.12 71.39 36.45 -22.01 71.61 35.75 -21.02 71.30 35.07 -23.41 71.77 35.14 -23.83 73.26 35.15 2 0 11.14-999 ?-999 ?-999 ? O12 UNL C 500 mTHR~C 140 -21.96 71.83 37.06 -22.84 72.12 37.44 -20.24 70.22 37.86 -19.02 69.99 37.87 -20.77 71.67 37.88 -21.09 72.15 39.33 2 0 10.75-999 ?-999 ?-999 ? O12 UNL C 500 mGLU~C 141 -21.16 69.24 37.81 -22.10 69.57 37.79 -20.14 67.37 36.48 -19.36 66.40 36.44 -20.77 67.82 37.81 -21.95 66.91 38.19 2 0 14.58-999 ?-999 ?-999 ? O12 UNL C 500 mVAL~C 142 -20.46 68.07 35.39 -21.12 68.80 35.55 -18.39 68.05 34.10 -17.60 67.23 33.60 -19.88 67.76 34.09 -20.61 68.52 32.94 3 0 15.38-999 ?-999 ?-999 ? O12 UNL C 500 mLEU~C 143 -18.01 69.19 34.69 -18.77 69.74 35.02 -15.89 68.70 35.81 -14.76 68.28 35.56 -16.61 69.60 34.81 -16.51 71.05 35.30 3 0 14.34-999 ?-999 ?-999 ? O12 UNL C 500 mARG~C 144 -16.56 68.44 36.95 -17.45 68.90 37.01 -15.70 66.18 37.48 -14.64 65.63 37.80 -16.04 67.56 37.99 -17.06 67.39 39.11 2 0 15.96-999 ?-999 ?-999 ? O12 UNL C 500 mGLU~C 145 -16.62 65.60 36.72 -17.45 66.14 36.61 -15.28 64.29 35.04 -14.55 63.29 34.88 -16.40 64.27 36.11 -17.70 63.71 35.52 2 0 19.08-999 ?-999 ?-999 ? O12 UNL C 500 mARG~C 146 -15.15 65.39 34.31 -15.84 66.11 34.46 -12.72 65.56 34.15 -11.73 64.95 33.74 -14.05 65.49 33.37 -14.21 66.66 32.38 2 0 19.25-999 ?-999 ?-999 ? O8 UNL C 500 mLEU~C 147 -12.69 66.30 35.26 -13.54 66.79 35.45 -11.14 64.96 36.68 -10.01 64.49 36.59 -11.47 66.34 36.10 -11.57 67.40 37.22 3 0 18.81-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 148 -12.14 64.30 37.27 -13.01 64.79 37.26 -11.31 62.06 36.83 -10.30 61.39 37.06 -11.94 62.98 37.87 -13.27 62.37 38.35 2 0 20.58-999 ?-999 ?-999 ? O22 UNL C 500 mSER~C 149 -11.94 62.04 35.67 -12.75 62.63 35.65 -10.04 61.52 34.14 -9.30 60.61 33.83 -11.51 61.24 34.53 -12.45 61.52 33.34 2 0 23.77-999 ?-999 ?-999 ? O8 UNL C 500 mALA~C 150 -9.65 62.80 34.13 -10.37 63.46 34.36 -7.30 62.67 34.87 -6.23 62.15 34.53 -8.29 63.17 33.79 -8.18 64.67 33.60 2 0 23.04-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 151 -7.65 62.85 36.14 -8.53 63.33 36.24 -6.73 60.88 37.34 -5.69 60.33 37.70 -6.82 62.40 37.29 -7.40 62.85 38.62 3 0 22.04-999 ?-999 ?-999 ? O22 UNL C 500 mALA~C 152 -7.84 60.22 37.02 -8.63 60.80 36.84 -6.89 58.26 35.87 -6.26 57.22 36.04 -7.86 58.77 36.95 -9.24 58.29 36.64 2 0 25.11-999 ?-999 ?-999 ? O22 UNL C 500 mASP~C 153 -6.76 59.00 34.76 -7.33 59.83 34.77 -4.38 58.88 33.83 -3.58 58.03 33.44 -5.88 58.62 33.65 -6.28 59.34 32.35 2 0 27.23-999 ?-999 ?-999 ? O22 UNL C 500 mASP~C 154 -4.00 60.06 34.33 -4.77 60.66 34.57 -2.25 60.65 35.98 -2.83 61.53 36.60 -2.58 60.44 34.50 -2.28 61.71 33.70 2 0 26.32-999 ?-999 ?-999 ? O22 UNL C 500 mPRO~C 155 -1.34 59.83 36.55 -0.94 59.16 35.92 -0.10 61.11 38.38 -0.12 61.53 39.54 -0.97 59.91 37.98 -0.19 58.61 38.21 3 0 25.82-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 156 0.66 61.65 37.43 0.62 61.15 36.56 0.60 64.13 37.81 1.07 65.19 38.26 1.46 62.86 37.66 2.46 63.05 36.50 2 0 24.87-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 157 -0.67 64.02 37.41 -0.95 63.09 37.16 -2.08 65.63 38.72 -2.19 66.82 38.96 -1.55 65.15 37.36 -2.70 64.82 36.40 3 0 21.78-999 ?-999 ?-999 ? O22 UNL C 500 mALA~C 158 -2.43 64.70 39.61 -2.24 63.77 39.31 -2.19 66.04 41.73 -2.69 67.07 42.22 -3.03 65.05 40.91 -3.31 63.77 41.72 2 0 19.63-999 ?-999 ?-999 ? O22 UNL C 500 mSER~C 159 -0.90 65.74 41.88 -0.62 64.89 41.44 0.05 68.05 42.06 0.04 69.03 42.81 -0.02 66.62 42.65 1.38 66.02 42.73 2 0 19.51-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 160 0.10 68.15 40.73 0.13 67.28 40.25 -1.21 70.18 40.22 -1.21 71.38 40.50 0.12 69.44 40.06 0.47 69.31 38.57 2 0 18.59-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 161 -2.34 69.49 40.05 -2.20 68.53 39.81 -4.02 70.48 41.66 -4.84 71.37 41.88 -3.66 70.15 40.22 -4.80 69.37 39.56 3 0 15.76-999 ?-999 ?-999 ? O22 UNL C 500 mALA~C 162 -3.43 69.76 42.63 -2.84 69.04 42.27 -2.97 71.35 44.47 -3.53 72.15 45.21 -3.64 70.03 44.08 -3.11 68.86 44.94 2 0 14.38-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 163 -1.76 71.56 43.98 -1.38 70.79 43.46 -1.86 73.93 43.56 -2.08 74.94 44.20 -1.05 72.80 44.19 0.32 72.72 43.56 3 0 14.29-999 ?-999 ?-999 ? O22 UNL C 500 mTRP~C 164 -2.27 73.75 42.31 -1.96 72.87 41.94 -4.36 75.07 42.24 -4.71 76.25 42.36 -3.06 74.70 41.54 -3.38 74.05 40.20 3 0 12.77-999 ?-999 ?-999 ? O22 UNL C 500 mGLY~C 165 -5.07 74.05 42.72 -4.72 73.16 42.45 -6.01 75.15 44.75 -6.81 76.05 45.03 -6.27 74.25 43.55-999.99-999.99-999.99 1 0 9.94-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 166 -4.89 74.92 45.44 -4.36 74.15 45.09 -4.10 77.17 46.22 -4.32 78.10 47.02 -4.48 75.74 46.59 -3.28 75.11 47.31 2 0 9.39-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 167 -3.51 77.34 45.04 -3.33 76.48 44.55 -4.43 79.39 44.13 -4.57 80.55 44.43 -3.17 78.64 44.50 -2.29 78.51 43.24 2 0 9.93-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 168 -5.35 78.73 43.44 -5.08 77.79 43.20 -7.34 79.93 44.34 -7.81 81.07 44.31 -6.63 79.36 43.09 -7.55 78.35 42.38 3 0 7.56-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 169 -7.37 79.15 45.42 -6.94 78.26 45.28 -7.29 80.78 47.30 -7.92 81.77 47.66 -8.00 79.57 46.68 -8.00 78.42 47.70 3 0 -4.58-999 ?-999 ?-999 ? O22 UNL C 500s mGLY~C 170 -5.97 80.68 47.43 -5.60 79.79 47.14 -5.29 83.09 47.19 -5.43 84.15 47.80 -5.15 81.77 47.94-999.99-999.99-999.99 1 0 7.09-999 ?-999 ?-999 ? O22 UNL C 500 mGLU~C 171 -5.26 83.03 45.87 -5.13 82.11 45.49 -6.80 84.84 45.16 -6.93 86.05 45.20 -5.40 84.23 45.07 -5.02 83.95 43.61 2 0 8.10-999 ?-999 ?-999 ? O22 UNL C 500 mALA~C 172 -7.83 83.99 45.19 -7.57 83.03 45.11 -9.47 85.07 46.72 -10.18 86.05 46.84 -9.22 84.45 45.34 -10.20 83.30 45.08 2 0 4.83-999 ?-999 ?-999 ? O19 UNL C 500 mLEU~C 173 -8.94 84.44 47.75 -8.49 83.58 47.51 -8.31 86.37 49.24 -8.81 87.27 49.90 -9.01 84.99 49.12 -8.38 84.02 50.14 3 0 -4.42-999 ?-999 ?-999 ? O20 UNL C 500s mTHR~C 174 -7.13 86.50 48.62 -6.81 85.67 48.17 -7.16 88.88 47.98 -7.09 90.01 48.44 -6.37 87.75 48.62 -5.02 87.64 47.86 2 0 8.06-999 ?-999 ?-999 ? O20 UNL C 500 mGLN~C 175 -7.91 88.59 46.92 -7.89 87.63 46.62 -9.98 89.92 46.98 -10.45 91.06 46.97 -8.67 89.64 46.26 -8.87 89.32 44.78 2 0 7.28-999 ?-999 ?-999 ? O18 UNL C 500 mALA~C 176 -10.58 88.88 47.57 -10.12 88.01 47.40 -11.54 89.98 49.49 -12.40 90.78 49.83 -11.78 89.00 48.38 -12.12 87.66 48.98 2 0 4.78-999 ?-999 ?-999 ? O18 UNL C 500 mGLN~C 177 -10.35 89.89 50.06 -9.75 89.19 49.67 -9.63 92.17 50.69 -9.96 93.14 51.37 -9.96 90.76 51.16 -8.74 90.18 51.87 2 0 8.12-999 ?-999 ?-999 ? O18 UNL C 500 mARG~C 178 -8.93 92.27 49.57 -8.65 91.39 49.18 -9.91 94.31 48.59 -9.99 95.52 48.75 -8.62 93.57 48.97 -7.75 93.38 47.72 2 0 10.35-999 ?-999 ?-999 ? O18 UNL C 500 mVAL~C 179 -10.90 93.59 48.08 -10.70 92.62 47.96 -12.94 94.66 48.99 -13.53 95.74 48.99 -12.18 94.21 47.73 -13.03 93.28 46.83 3 0 9.41-999 ?-999 ?-999 ? O18 UNL C 500 mSER~C 180 -12.89 93.87 50.06 -12.37 93.03 49.93 -12.85 95.42 52.03 -13.48 96.22 52.72 -13.57 94.25 51.32 -13.71 93.02 52.24 2 0 10.08-999 ?-999 ?-999 ? O18 UNL C 500 mTYR~C 181 -11.54 95.54 51.83 -11.12 94.78 51.32 -10.99 97.91 51.44 -11.59 98.89 51.85 -10.79 96.69 52.34 -9.30 96.37 52.46 3 0 13.16-999 ?-999 ?-999 ? O18 UNL C 500 mGLU~C 182 -10.51 97.81 50.20 -10.22 96.87 50.00 -11.72 99.56 48.75 -11.80 100.78 48.57 -10.40 98.93 49.24 -9.58 98.46 48.01 2 0 14.54-999 ?-999 ?-999 ? O18 UNL C 500 mHIS~C 183 -12.73 98.73 48.48 -12.51 97.77 48.63 -15.11 98.36 48.67 -15.78 97.55 48.03 -14.05 99.21 48.00 -14.18 99.14 46.46 3 0 14.11-999 ?-999 ?-999 ? O16 UNL C 500 mALA~C 184 -15.23 98.54 49.99 -14.61 99.22 50.37 -17.65 98.10 50.42 -18.04 99.26 50.27 -16.20 97.78 50.78 -15.97 98.02 52.25 2 0 13.37-999 ?-999 ?-999 ? O18 UNL C 500 mPHE~C 185 -18.43 97.02 50.26 -17.92 96.17 50.32 -20.60 95.82 50.61 -21.82 95.82 50.79 -19.89 97.08 50.03 -20.18 97.19 48.54 3 0 12.40-999 ?-999 ?-999 ? O1 UNL C 500 mLEU~C 186 -19.83 94.76 50.86 -18.87 94.90 50.61 -20.79 93.68 52.88 -21.92 93.32 53.19 -20.32 93.51 51.45 -19.22 92.46 51.46 3 0 10.80-999 ?-999 ?-999 ? O17 UNL C 500 mGLY~C 187 -19.91 94.18 53.75 -19.01 94.37 53.35 -21.50 95.24 55.31 -22.26 95.07 56.27 -20.24 94.41 55.16-999.99-999.99-999.99 1 0 13.45-999 ?-999 ?-999 ? O17 UNL C 500 mSER~C 188 -21.71 96.15 54.36 -20.97 96.19 53.68 -24.14 96.14 54.13 -25.04 96.17 54.96 -22.88 97.00 54.31 -22.76 97.99 53.14 2 0 15.74-999 ?-999 ?-999 ? O1 UNL C 500 mLEU~C 189 -24.18 95.36 53.05 -23.36 95.41 52.48 -25.61 93.42 53.81 -26.76 93.10 54.06 -25.34 94.50 52.74 -25.17 93.82 51.36 3 0 13.86-999 ?-999 ?-999 ? O1 UNL C 500 mILE~C 190 -24.56 92.87 54.42 -23.68 93.28 54.17 -25.57 92.16 56.58 -25.09 92.71 57.58 -24.70 91.76 55.39 -23.32 91.21 55.89 3 0 14.23-999 ?-999 ?-999 ? O17 UNL C 500 mALA~C 196 -16.27 97.73 60.74 -16.86 98.36 60.22 -16.20 95.58 61.93 -15.85 94.45 61.56 -15.42 96.81 61.49 -14.80 97.51 62.70 2 0 18.50-999 ?-999 ?-999 ? O18 UNL C 500 mALA~C 197 -17.26 95.80 62.70 -17.40 96.77 62.93 -18.73 93.93 62.02 -18.56 92.71 61.94 -18.15 94.73 63.18 -19.28 95.33 64.01 2 0 19.04-999 ?-999 ?-999 ? O18 UNL C 500 mALA~C 198 -19.40 94.63 61.10 -19.42 95.62 61.28 -19.04 93.29 59.04 -19.36 92.26 58.44 -20.04 94.01 59.95 -20.83 95.04 59.15 2 0 16.58-999 ?-999 ?-999 ? O18 UNL C 500 mLYS~C 199 -17.82 93.84 58.95 -17.71 94.68 59.47 -16.23 91.92 58.75 -15.66 91.09 58.03 -16.77 93.22 58.13 -15.62 94.20 57.85 2 0 13.83-999 ?-999 ?-999 ? O18 UNL C 500 mGLU~C 200 -16.41 91.74 60.06 -16.83 92.52 60.53 -16.96 89.33 60.34 -16.57 88.16 60.38 -16.01 90.49 60.72 -15.96 90.69 62.23 2 0 14.37-999 ?-999 ?-999 ? O20 UNL C 500 mLEU~C 201 -18.19 89.68 59.96 -18.36 90.66 60.04 -18.86 88.28 58.06 -19.11 87.14 57.68 -19.19 88.72 59.49 -20.59 89.34 59.54 3 0 13.59-999 ?-999 ?-999 ? O20 UNL C 500 mVAL~C 202 -18.31 89.21 57.27 -18.20 90.10 57.70 -16.83 87.85 55.90 -16.85 86.96 55.06 -17.92 88.93 55.90 -17.45 90.22 55.18 3 0 10.16-999 ?-999 ?-999 ? O18 UNL C 500 mSER~C 203 -15.91 87.92 56.86 -16.01 88.71 57.46 -15.45 85.53 57.24 -15.00 84.55 56.67 -14.86 86.92 57.00 -13.93 87.28 58.16 2 0 9.27-999 ?-999 ?-999 ? O20 UNL C 500 mGLY~C 204 -16.45 85.45 58.11 -16.70 86.32 58.54 -17.72 83.53 57.17 -17.73 82.31 57.04 -17.11 84.17 58.40-999.99-999.99-999.99 1 0 10.58-999 ?-999 ?-999 ? O20 UNL C 500 mLEU~C 205 -18.23 84.36 56.27 -18.18 85.32 56.54 -17.69 83.36 54.09 -17.79 82.26 53.54 -18.80 83.88 55.01 -19.63 84.99 54.34 3 0 8.58-999 ?-999 ?-999 ? O20 UNL C 500 mILE~C 206 -16.62 84.16 53.96 -16.70 85.02 54.47 -14.79 82.50 53.63 -14.33 81.71 52.79 -15.44 83.82 53.16 -14.40 84.97 53.18 3 0 5.11-999 ?-999 ?-999 ? O20 UNL C 500 mALA~C 207 -14.73 82.28 54.94 -15.10 83.03 55.49 -15.07 79.86 55.17 -14.58 78.76 54.93 -14.18 81.06 55.51 -14.07 81.19 57.00 2 0 6.73-999 ?-999 ?-999 ? O21 UNL C 500 mGLY~C 208 -16.38 80.09 55.19 -16.64 81.01 55.46 -17.08 78.56 53.41 -17.11 77.36 53.15 -17.34 79.05 54.81-999.99-999.99-999.99 1 0 7.75-999 ?-999 ?-999 ? O21 UNL C 500 mLEU~C 209 -16.80 79.51 52.51 -16.83 80.43 52.89 -15.19 78.38 50.99 -15.14 77.39 50.26 -16.48 79.19 51.10 -16.30 80.46 50.24 3 0 -4.76-999 ?-999 ?-999 ? O21 UNL C 500s mALA~C 210 -14.17 78.82 51.72 -14.37 79.66 52.23 -13.05 76.69 52.20 -12.51 75.77 51.60 -12.87 78.14 51.78 -11.95 78.86 52.72 2 0 4.58-999 ?-999 ?-999 ? O21 UNL C 500 mGLU~C 211 -13.87 76.50 53.23 -14.28 77.34 53.58 -14.80 74.20 52.80 -14.46 73.03 52.76 -14.12 75.17 53.78 -14.99 75.32 55.03 2 0 8.22-999 ?-999 ?-999 ? O21 UNL C 500 mLYS~C 212 -15.76 74.70 52.03 -15.95 75.67 52.18 -15.59 73.55 49.86 -15.71 72.49 49.27 -16.47 73.86 51.05 -17.76 74.53 50.56 2 0 8.81-999 ?-999 ?-999 ? O22 UNL C 500 mHIS~C 213 -14.72 74.50 49.50 -14.82 75.34 50.03 -12.78 73.16 48.81 -12.49 72.28 48.01 -13.73 74.30 48.42 -12.97 75.61 48.13 3 0 6.81-999 ?-999 ?-999 ? O22 UNL C 500 mSER~C 214 -12.36 73.16 50.07 -12.70 73.93 50.62 -12.09 70.72 50.65 -11.37 69.74 50.43 -11.47 72.13 50.61 -11.00 72.55 52.01 2 0 9.20-999 ?-999 ?-999 ? O22 UNL C 500 mLYS~C 215 -13.38 70.60 50.94 -13.81 71.46 51.21 -14.13 68.82 49.45 -13.94 67.64 49.17 -14.09 69.30 50.88 -15.53 69.42 51.38 2 0 12.12-999 ?-999 ?-999 ? O22 UNL C 500 mARG~C 216 -14.38 69.74 48.54 -14.53 70.66 48.90 -13.07 68.91 46.59 -13.05 68.04 45.74 -14.42 69.40 47.13 -14.94 70.56 46.31 2 0 11.76-999 ?-999 ?-999 ? O22 UNL C 500 mMETC 217 -11.96 69.47 47.07 -12.12 70.16 47.77 -10.31 67.64 47.05 -9.73 66.86 46.29 -10.63 69.05 46.59 -9.52 70.00 47.08 2 0 12.04-999 ?-999 ?-999 ? O22 UNL C 500 mTHR~C 218 -10.65 67.34 48.30 -11.01 68.11 48.82 -11.28 64.96 48.03 -10.80 63.86 47.80 -10.51 65.99 48.86 -11.02 65.94 50.31 2 0 15.04-999 ?-999 ?-999 ? O22 UNL C 500 mGLN~C 219 -12.47 65.36 47.58 -12.73 66.28 47.86 -12.75 64.25 45.34 -13.14 63.29 44.69 -13.32 64.51 46.74 -14.74 65.07 46.70 2 0 16.49-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 220 -11.81 65.09 44.89 -11.68 65.90 45.46 -9.78 63.99 44.03 -8.97 63.67 43.16 -11.05 64.80 43.68 -10.67 66.09 42.95 3 0 16.71-999 ?-999 ?-999 ? O22 UNL C 500 mGLY~C 221 -9.62 63.65 45.29 -10.37 63.91 45.90 -7.20 63.86 45.77 -6.07 63.38 45.65 -8.41 62.96 45.74-999.99-999.99-999.99 1 0 18.48-999 ?-999 ?-999 ? O22 UNL C 500 mLEU~C 222 -7.43 65.16 45.95 -8.40 65.40 45.99 -6.13 66.55 47.55 -7.03 66.44 48.39 -6.35 66.14 46.07 -6.65 67.35 45.19 3 0 16.00-999 ?-999 ?-999 ? O22 UNL C 500 mTHR~C 223 -4.90 66.97 47.87 -4.24 66.90 47.12 -4.87 69.01 49.26 -5.32 69.62 48.26 -4.56 67.49 49.21 -3.07 67.25 49.59 2 0 15.49-999 ?-999 ?-999 ? O22 UNL C 500 mPRO~D 5 -31.28 57.17 -5.14 -31.83 57.93 -4.81 -29.06 55.99 -4.97 -28.96 56.03 -3.73 -30.48 56.03 -5.63 -30.43 56.28 -7.16 3 0 27.00-999 ?-999 ?-999 ? O1 UNL D 500 mALA~D 6 -28.01 55.87 -5.79 -28.26 55.65 -6.73 -26.32 57.54 -5.20 -25.36 57.93 -4.51 -26.63 56.03 -5.33 -25.64 55.37 -6.31 2 0 25.45-999 ?-999 ?-999 ? O1 UNL D 500 mASP~D 7 -27.12 58.36 -5.89 -27.76 57.88 -6.49 -27.48 60.23 -4.35 -26.88 61.14 -3.77 -27.06 59.81 -5.78 -27.96 60.47 -6.83 2 0 22.79-999 ?-999 ?-999 ? O1 UNL D 500 mTHR~D 8 -28.49 59.54 -3.80 -28.90 58.88 -4.42 -27.87 59.39 -1.38 -27.68 60.09 -0.39 -28.95 59.77 -2.42 -30.24 58.96 -2.11 2 0 22.01-999 ?-999 ?-999 ? O1 UNL D 500 mALA~D 9 -27.17 58.28 -1.64 -27.44 57.82 -2.48 -24.87 58.72 -0.79 -24.28 59.04 0.26 -26.10 57.80 -0.75 -25.72 56.35 -1.11 2 0 21.93-999 ?-999 ?-999 ? O1 UNL D 500 mARG~D 10 -24.49 59.16 -1.99 -25.01 58.77 -2.75 -23.76 61.47 -1.49 -22.96 62.03 -0.74 -23.40 60.13 -2.15 -23.08 60.34 -3.63 2 0 19.66-999 ?-999 ?-999 ? O1 UNL D 500 mTYR~D 11 -24.98 61.95 -1.75 -25.51 61.37 -2.37 -25.45 63.27 0.35 -25.03 64.26 0.93 -25.49 63.22 -1.19 -26.94 63.49 -1.70 3 0 17.27-999 ?-999 ?-999 ? O1 UNL D 500 mASN~D 12 -25.90 62.22 1.02 -26.19 61.46 0.43 -24.60 62.41 3.18 -24.53 63.10 4.22 -25.95 62.21 2.49 -26.61 60.93 3.02 2 0 17.05-999 ?-999 ?-999 ? O1 UNL D 500 mARG~D 13 -23.54 61.82 2.64 -23.72 61.29 1.82 -21.59 63.35 2.96 -20.76 63.83 3.71 -22.21 61.99 3.27 -21.25 60.88 2.86 2 0 15.91-999 ?-999 ?-999 ? O1 UNL D 500 mPHE~D 14 -22.00 63.96 1.85 -22.66 63.44 1.30 -22.22 66.37 2.31 -21.62 67.40 2.59 -21.52 65.29 1.49 -21.63 65.54 -0.02 3 0 13.19-999 ?-999 ?-999 ? O1 UNL D 500 mVAL~D 15 -23.46 66.14 2.70 -23.88 65.32 2.30 -23.45 66.95 5.03 -23.39 67.93 5.75 -24.14 67.03 3.65 -25.66 66.70 3.78 3 0 11.81-999 ?-999 ?-999 ? O1 UNL D 500 mALA~D 16 -22.96 65.78 5.39 -23.18 65.04 4.75 -20.84 66.34 6.54 -20.40 66.96 7.52 -22.19 65.58 6.62 -21.95 64.08 6.86 2 0 12.10-999 ?-999 ?-999 ? O1 UNL D 500 mASP~D 17 -20.21 66.30 5.37 -20.64 65.68 4.71 -19.23 68.60 5.24 -18.41 69.30 5.85 -19.00 67.10 5.09 -18.46 66.82 3.68 2 0 10.21-999 ?-999 ?-999 ? O1 UNL D 500 mLEU~D 18 -20.32 69.08 4.64 -20.83 68.38 4.15 -20.91 70.95 6.17 -20.44 72.02 6.55 -20.71 70.49 4.72 -22.03 70.72 3.96 3 0 7.18-999 ?-999 ?-999 ? O1 UNL D 500 mPHE~D 19 -21.66 70.17 6.95 -21.99 69.33 6.50 -20.66 70.43 9.16 -20.48 71.19 10.12 -21.95 70.53 8.33 -22.99 69.61 8.97 3 0 7.60-999 ?-999 ?-999 ? O1 UNL D 500 mGLY~D 20 -19.80 69.47 8.82 -20.11 68.86 8.09 -17.72 70.62 9.36 -17.19 71.14 10.35 -18.52 69.34 9.49-999.99-999.99-999.99 1 0 8.45-999 ?-999 ?-999 ? O1 UNL D 500 mMETD 21 -17.65 71.14 8.15 -18.15 70.64 7.44 -17.51 73.52 8.60 -16.81 74.29 9.23 -16.89 72.33 7.90 -16.81 72.63 6.40 2 0 -5.46-999 ?-999 ?-999 ? O1 UNL D 500s mMETD 22 -18.80 73.68 8.44 -19.22 73.01 7.84 -19.32 74.72 10.60 -19.02 75.75 11.19 -19.55 74.74 9.10 -21.06 74.60 8.83 2 0 -3.69-999 ?-999 ?-999 ? O1 UNL D 500s mALA~D 23 -19.45 73.55 11.21 -19.58 72.78 10.57 -18.01 73.72 13.21 -17.91 74.38 14.24 -19.39 73.39 12.66 -19.85 71.98 13.08 2 0 6.76-999 ?-999 ?-999 ? C9 UNL D 500 mTYR~D 24 -16.97 73.32 12.49 -17.20 72.83 11.65 -15.28 75.09 12.73 -14.66 75.75 13.57 -15.60 73.60 12.94 -14.55 72.69 12.28 3 0 7.16-999 ?-999 ?-999 ? C9 UNL D 500 mGLY~D 25 -15.74 75.63 11.60 -16.20 75.00 10.98 -16.20 77.93 12.39 -15.69 78.99 12.70 -15.55 77.04 11.35-999.99-999.99-999.99 1 0 -4.03-999 ?-999 ?-999 ? O6 UNL D 500s mGLU~D 26 -17.36 77.51 12.88 -17.62 76.62 12.52 -17.55 78.17 15.25 -17.47 79.15 15.98 -18.16 78.28 13.86 -19.63 77.77 13.89 2 0 -4.35-999 ?-999 ?-999 ? O7 UNL D 500s mLEU~D 27 -17.19 76.95 15.64 -17.47 76.22 15.01 -15.16 77.54 16.89 -14.85 78.14 17.90 -16.46 76.72 16.88 -16.14 75.24 17.05 3 0 8.01-999 ?-999 ?-999 ? O7 UNL D 500 mSER~D 28 -14.42 77.53 15.78 -14.80 76.97 15.05 -13.38 79.79 15.70 -12.64 80.50 16.37 -13.16 78.28 15.66 -12.41 77.91 14.38 2 0 7.30-999 ?-999 ?-999 ? O6 UNL D 500 mALA~D 29 -14.39 80.26 14.99 -14.88 79.55 14.47 -15.09 82.12 16.42 -14.60 83.15 16.89 -14.75 81.69 14.98 -15.86 81.92 14.03 2 0 5.81-999 ?-999 ?-999 ? O6 UNL D 500 mPHE~D 30 -15.83 81.29 17.14 -16.12 80.46 16.67 -14.91 81.90 19.34 -14.83 82.93 19.96 -16.17 81.60 18.51 -16.99 80.44 19.11 3 0 8.48-999 ?-999 ?-999 ? O7 UNL D 500 mGLU~D 31 -13.94 80.98 19.33 -14.16 80.20 18.75 -11.84 82.29 19.67 -11.36 83.02 20.50 -12.70 81.10 20.10 -11.88 79.81 19.95 2 0 11.21-999 ?-999 ?-999 ? O6 UNL D 500 mARG~D 32 -11.67 82.48 18.37 -12.10 81.78 17.80 -11.56 84.96 18.04 -10.84 85.88 18.40 -10.93 83.60 17.83 -10.72 83.42 16.32 2 0 -10.43-999 ?-999 ?-999 ? O6 UNL D 500s mPHE~D 33 -12.87 85.09 17.80 -13.33 84.27 17.45 -13.49 86.76 19.48 -13.42 87.94 19.79 -13.55 86.36 18.03 -15.02 86.38 17.56 3 0 10.66-999 ?-999 ?-999 ? O7 UNL D 500 mSER~D 34 -13.56 85.78 20.37 -13.64 84.87 19.97 -12.14 86.47 22.27 -12.02 87.21 23.23 -13.51 86.05 21.81 -13.90 84.80 22.60 2 0 13.50-999 ?-999 ?-999 ? O7 UNL D 500 mALA~D 35 -11.09 85.99 21.61 -11.33 85.45 20.80 -9.19 87.67 21.84 -8.17 88.05 22.38 -9.71 86.25 22.08 -8.75 85.21 21.49 2 0 15.34-999 ?-999 ?-999 ? O6 UNL D 500 mASP~D 36 -9.91 88.46 21.06 -10.75 88.02 20.73 -9.94 90.88 21.79 -10.10 92.07 21.46 -9.51 89.84 20.73 -10.13 90.23 19.38 2 0 16.13-999 ?-999 ?-999 ? O6 UNL D 500 mALA~D 37 -10.10 90.43 23.04 -9.81 89.49 23.17 -9.65 92.29 24.61 -10.03 93.39 25.00 -10.64 91.26 24.13 -11.09 90.38 25.31 2 0 16.90-999 ?-999 ?-999 ? O6 UNL C 500 mARG~D 38 -8.37 91.94 24.58 -8.21 91.00 24.29 -7.43 94.19 24.14 -7.11 95.29 24.61 -7.30 92.90 24.96 -5.89 92.28 24.80 2 0 18.32-999 ?-999 ?-999 ? O6 UNL C 500 mTYR~D 39 -7.96 94.04 22.93 -8.24 93.10 22.72 -9.27 96.07 22.25 -9.27 97.18 21.73 -8.09 95.14 22.00 -8.12 94.61 20.55 3 0 -20.95-999 ?-999 ?-999 ? O6 UNL D 500s mSER~D 40 -10.25 95.68 23.07 -10.13 94.78 23.49 -10.95 97.96 23.77 -10.18 98.06 24.74 -11.40 96.58 23.29 -12.44 96.00 24.25 2 0 19.87-999 ?-999 ?-999 ? O6 UNL C 500 mPRO~D 41 -11.40 99.03 23.10 -12.00 98.84 22.33 -11.59 100.76 24.85 -10.93 101.40 25.67 -10.98 100.37 23.51 -11.51 101.27 22.39 3 0 22.20-999 ?-999 ?-999 ? O6 UNL C 500 mTHR~D 42 -12.85 100.39 25.04 -13.26 99.92 24.26 -14.03 99.31 26.88 -13.94 98.25 26.25 -13.56 100.64 26.28 -14.78 101.59 26.07 2 0 20.05-999 ?-999 ?-999 ? O6 UNL C 500 mLEU~D 43 -14.48 99.37 28.12 -14.40 100.28 28.52 -16.37 97.85 28.16 -16.76 96.69 28.14 -15.05 98.23 28.81 -15.25 98.61 30.28 3 0 16.43-999 ?-999 ?-999 ? O6 UNL C 500 mHIS~D 44 -17.07 98.84 27.62 -16.63 99.74 27.71 -18.18 97.89 25.66 -19.03 97.07 25.28 -18.35 98.64 26.97 -19.04 99.99 26.75 3 0 17.67-999 ?-999 ?-999 ? C9 UNL C 500 mASP~D 45 -17.06 98.14 24.97 -16.46 98.81 25.39 -16.38 95.99 23.90 -16.26 95.26 22.92 -16.76 97.46 23.70 -15.62 98.17 22.96 2 0 19.38-999 ?-999 ?-999 ? O6 UNL C 500 mARG~D 46 -16.21 95.55 25.14 -16.33 96.25 25.85 -17.07 93.27 25.10 -16.90 92.14 24.63 -15.86 94.14 25.41 -15.37 93.94 26.85 2 0 16.05-999 ?-999 ?-999 ? O6 UNL C 500 mALA~D 47 -18.29 93.79 25.34 -18.26 94.68 25.79 -19.73 92.93 23.47 -20.42 92.03 23.01 -19.55 93.08 24.98 -20.73 93.79 25.55 2 0 15.19-999 ?-999 ?-999 ? O11 UNL C 500 mVAL~D 48 -19.11 93.82 22.69 -18.52 94.45 23.19 -18.86 92.54 20.56 -19.70 91.90 19.93 -19.27 93.84 21.24 -18.54 95.05 20.55 3 0 15.91-999 ?-999 ?-999 ? O11 UNL D 500 mLEU~D 49 -17.58 92.17 20.67 -17.00 92.82 21.17 -17.55 89.68 20.89 -17.58 88.58 20.34 -17.07 90.90 20.10 -15.53 90.90 19.91 3 0 13.53-999 ?-999 ?-999 ? O11 UNL D 500 mGLY~D 50 -17.90 89.86 22.16 -17.77 90.79 22.50 -19.73 88.24 22.46 -19.91 87.02 22.38 -18.41 88.80 22.98-999.99-999.99-999.99 1 0 13.81-999 ?-999 ?-999 ? O11 UNL D 500 mARG~D 51 -20.65 89.14 22.14 -20.38 90.08 22.32 -21.77 88.11 20.22 -22.40 87.11 19.90 -21.94 88.76 21.57 -22.81 89.99 21.40 2 0 12.25-999 ?-999 ?-999 ? O11 UNL D 500 mILE~D 52 -20.90 88.69 19.41 -20.48 89.53 19.77 -20.04 86.69 18.25 -20.39 85.79 17.49 -20.61 88.11 18.10 -19.62 88.96 17.29 3 0 9.34-999 ?-999 ?-999 ? O11 UNL D 500 mALA~D 53 -19.16 86.49 19.24 -18.97 87.31 19.78 -19.55 84.18 19.96 -19.52 83.04 19.52 -18.54 85.21 19.49 -17.40 85.37 20.51 2 0 9.13-999 ?-999 ?-999 ? O11 UNL D 500 mVAL~D 54 -20.43 84.58 20.84 -20.34 85.54 21.09 -22.42 83.19 20.31 -22.75 82.02 20.29 -21.46 83.69 21.38 -22.21 84.43 22.50 3 0 9.76-999 ?-999 ?-999 ? O11 UNL D 500 mVAL~D 55 -22.88 84.08 19.44 -22.59 85.02 19.65 -23.06 82.56 17.46 -23.72 81.60 17.10 -23.72 83.70 18.27 -24.03 84.94 17.36 3 0 7.07-999 ?-999 ?-999 ? O11 UNL D 500 mGLU~D 56 -21.75 82.63 17.27 -21.35 83.47 17.63 -21.06 80.24 17.35 -21.28 79.20 16.72 -20.97 81.58 16.62 -19.50 82.02 16.52 2 0 -4.74-999 ?-999 ?-999 ? O11 UNL D 500s mPHE~D 57 -20.87 80.25 18.67 -20.65 81.14 19.06 -22.40 78.40 19.34 -22.52 77.19 19.17 -21.00 79.02 19.46 -20.63 79.24 20.94 3 0 7.83-999 ?-999 ?-999 ? O11 UNL D 500 mARG~D 58 -23.44 79.22 19.43 -23.20 80.17 19.63 -25.05 78.11 17.85 -25.74 77.09 17.73 -24.83 78.73 19.25 -25.86 79.83 19.53 2 0 8.27-999 ?-999 ?-999 ? O11 UNL D 500 mHIS~D 59 -24.44 78.70 16.80 -23.99 79.56 17.02 -23.82 76.71 15.48 -24.38 75.75 14.99 -24.47 78.08 15.45 -23.75 78.93 14.41 3 0 -5.38-999 ?-999 ?-999 ? O11 UNL D 500s mTYR~D 60 -22.60 76.64 16.03 -22.24 77.52 16.32 -22.77 74.31 16.84 -22.82 73.18 16.36 -21.89 75.38 16.18 -20.59 75.57 17.04 3 0 7.15-999 ?-999 ?-999 ? O11 UNL D 500 mGLU~D 61 -23.42 74.65 17.95 -23.26 75.60 18.23 -25.47 73.25 17.85 -25.81 72.08 17.89 -24.29 73.73 18.68 -24.83 74.40 19.96 2 0 10.32-999 ?-999 ?-999 ? O11 UNL D 500 mLEU~D 62 -26.07 74.15 17.10 -25.69 75.07 17.22 -26.73 72.85 15.05 -27.43 71.88 14.71 -27.17 73.82 16.17 -27.67 75.14 15.59 3 0 10.04-999 ?-999 ?-999 ? O11 UNL D 500 mVAL~D 63 -25.54 73.10 14.49 -25.07 73.90 14.87 -24.53 70.88 13.94 -24.77 69.84 13.31 -25.00 72.25 13.41 -23.92 72.99 12.65 3 0 8.82-999 ?-999 ?-999 ? O10 UNL D 500 mSER~D 64 -23.90 70.90 15.11 -23.73 71.82 15.45 -24.68 68.80 16.16 -24.58 67.57 16.07 -23.51 69.69 15.83 -22.85 70.07 17.17 2 0 11.69-999 ?-999 ?-999 ? O10 UNL D 500 mALA~D 65 -25.76 69.43 16.59 -25.66 70.42 16.62 -27.61 68.03 15.76 -28.08 66.90 15.85 -26.99 68.72 16.97 -27.97 69.68 17.63 2 0 14.04-999 ?-999 ?-999 ? O10 UNL D 500 mARG~D 66 -27.58 68.71 14.62 -27.23 69.64 14.71 -27.18 66.92 12.91 -27.73 65.87 12.53 -28.03 68.15 13.35 -28.00 69.23 12.27 2 0 13.57-999 ?-999 ?-999 ? O10 UNL D 500 mLEU~D 67 -25.86 67.04 12.97 -25.53 67.95 13.20 -25.35 64.70 13.60 -25.40 63.55 13.16 -24.99 65.89 12.70 -23.51 66.26 12.92 3 0 14.31-999 ?-999 ?-999 ? O1 UNL D 500 mGLU~D 68 -25.58 65.01 14.87 -25.49 65.98 15.08 -27.24 63.31 15.53 -27.35 62.08 15.68 -25.93 64.03 15.87 -26.08 64.72 17.21 2 0 17.22-999 ?-999 ?-999 ? O10 UNL D 500 mALA~D 69 -28.23 64.08 15.05 -28.00 65.05 15.06 -29.34 62.56 13.37 -30.10 61.63 13.18 -29.52 63.51 14.58 -30.48 64.62 14.22 2 0 18.53-999 ?-999 ?-999 ? O10 UNL D 500 mMETD 70 -28.32 62.81 12.56 -27.83 63.66 12.79 -27.13 60.73 11.93 -26.76 59.87 11.13 -27.97 61.94 11.45 -27.14 62.70 10.42 2 0 18.47-999 ?-999 ?-999 ? O1 UNL D 500 mGLY~D 71 -26.80 60.69 13.22 -27.13 61.48 13.74 -24.52 59.75 13.67 -23.77 58.77 13.80 -26.03 59.60 13.81-999.99-999.99-999.99 1 0 20.39-999 ?-999 ?-999 ? O1 UNL D 500 mILE~D 72 -24.07 60.97 13.39 -24.77 61.68 13.37 -22.08 61.95 14.31 -22.64 62.94 14.80 -22.67 61.22 13.14 -22.45 62.06 11.88 3 0 17.75-999 ?-999 ?-999 ? O1 UNL D 500 mASP~D 73 -20.93 61.48 14.78 -20.64 60.61 14.39 -19.64 63.50 15.13 -19.00 63.42 14.10 -20.18 62.23 15.80 -19.01 61.43 16.40 2 0 17.72-999 ?-999 ?-999 ? O1 UNL D 500 mALA~D 74 -19.93 64.65 15.73 -20.44 64.54 16.58 -18.04 66.00 14.93 -17.62 66.43 13.86 -19.53 65.94 15.20 -19.90 67.04 16.18 2 0 14.29-999 ?-999 ?-999 ? O1 UNL D 500 mGLU~D 75 -17.26 65.54 15.90 -17.78 65.22 16.70 -15.26 64.82 14.59 -14.34 65.31 13.92 -15.78 65.52 15.83 -15.17 64.79 17.02 2 0 15.27-999 ?-999 ?-999 ? C9 UNL D 500 mASP~D 76 -15.84 63.65 14.29 -16.54 63.36 14.93 -15.73 63.69 11.87 -14.91 63.66 10.95 -15.46 62.90 13.12 -16.20 61.56 13.06 2 0 16.16-999 ?-999 ?-999 ? O1 UNL D 500 mALA~D 77 -16.86 64.40 11.84 -17.41 64.37 12.68 -16.41 66.39 10.48 -16.19 66.85 9.37 -17.25 65.13 10.67 -18.73 65.47 10.76 2 0 12.90-999 ?-999 ?-999 ? O1 UNL D 500 mMETD 78 -15.95 66.94 11.60 -16.18 66.40 12.41 -13.69 68.02 11.42 -13.02 68.93 10.91 -15.20 68.19 11.66 -15.39 68.80 13.06 2 0 11.05-999 ?-999 ?-999 ? O1 UNL D 500 mLEU~D 79 -13.16 66.87 11.81 -13.84 66.21 12.11 -11.02 66.93 10.44 -9.91 67.49 10.44 -11.71 66.62 11.78 -11.40 65.18 12.28 3 0 13.80-999 ?-999 ?-999 ? O3 UNL D 500 mPRO~D 80 -11.66 66.57 9.30 -12.54 66.12 9.41 -10.77 68.33 7.66 -9.90 68.64 6.84 -11.04 66.85 7.99 -12.03 66.22 6.99 3 0 13.09-999 ?-999 ?-999 ? O1 UNL D 500 mPHE~D 81 -11.49 69.22 8.31 -12.11 68.83 8.99 -10.57 71.40 9.09 -10.37 72.60 8.95 -11.37 70.65 8.04 -12.77 71.25 7.95 3 0 9.96-999 ?-999 ?-999 ? O3 UNL D 500 mGLN~D 82 -10.13 70.68 10.13 -10.31 69.70 10.08 -8.11 71.93 10.82 -7.80 73.04 11.23 -9.42 71.31 11.24 -9.18 70.30 12.38 2 0 11.35-999 ?-999 ?-999 ? O3 UNL D 500 mALA~D 83 -7.34 71.23 10.00 -7.75 70.38 9.67 -6.06 73.02 8.84 -5.25 73.94 9.10 -6.01 71.71 9.62 -5.28 70.63 8.84 2 0 13.48-999 ?-999 ?-999 ? O3 UNL D 500 mALA~D 84 -7.01 73.08 7.91 -7.59 72.27 7.87 -7.78 75.38 7.72 -7.37 76.53 7.49 -7.22 74.20 7.02 -8.19 73.80 5.88 2 0 11.18-999 ?-999 ?-999 ? O3 UNL D 500 mVAL~D 85 -8.79 75.14 8.55 -9.07 74.18 8.62 -8.38 76.79 10.28 -8.24 78.01 10.40 -9.41 76.22 9.29 -10.76 75.76 9.94 3 0 8.29-999 ?-999 ?-999 ? O6 UNL D 500 mASP~D 86 -7.63 75.92 10.95 -7.79 74.96 10.74 -5.57 77.24 11.25 -5.18 78.28 11.78 -6.64 76.39 11.91 -5.99 75.23 12.64 2 0 10.94-999 ?-999 ?-999 ? O6 UNL D 500 mTYR~D 87 -5.12 76.78 10.08 -5.54 75.93 9.76 -4.54 78.87 8.94 -3.79 79.80 9.08 -4.12 77.47 9.34 -3.81 76.71 8.09 3 0 12.75-999 ?-999 ?-999 ? O6 UNL D 500 mPHE~D 88 -5.75 78.97 8.40 -6.24 78.11 8.31 -6.25 81.23 9.14 -5.80 82.36 8.94 -6.31 80.23 7.99 -7.75 80.05 7.42 3 0 10.31-999 ?-999 ?-999 ? O6 UNL D 500 mHIS~D 89 -6.70 80.81 10.32 -7.02 79.86 10.31 -5.35 82.05 12.06 -5.16 83.18 12.52 -6.71 81.68 11.52 -7.55 81.10 12.67 3 0 10.04-999 ?-999 ?-999 ? O6 UNL D 500 mSER~D 90 -4.41 81.12 12.03 -4.70 80.22 11.71 -2.38 82.43 11.48 -1.48 83.16 11.86 -3.05 81.44 12.47 -2.22 80.17 12.62 2 0 -13.78-999 ?-999 ?-999 ? O6 UNL D 500s mARG~D 91 -2.83 82.46 10.22 -3.57 81.81 10.01 -3.04 84.70 9.23 -2.74 85.55 8.41 -2.26 83.40 9.26 -2.23 82.85 7.83 2 0 14.41-999 ?-999 ?-999 ? O20 UNL D 500 mTHR~D 92 -4.06 84.85 10.08 -4.20 84.08 10.70 -5.27 86.47 11.50 -6.44 86.75 11.80 -4.90 86.03 10.08 -6.20 85.81 9.24 2 0 12.84-999 ?-999 ?-999 ? O6 UNL D 500 mARG~D 93 -4.27 86.56 12.36 -3.39 86.31 11.97 -4.44 88.50 13.78 -3.42 89.11 13.48 -4.44 86.97 13.74 -3.22 86.50 14.57 2 0 14.30-999 ?-999 ?-999 ? O6 UNL D 500s mPRO~D 94 -5.57 89.13 14.17 -6.34 88.52 14.37 -4.61 91.22 15.27 -4.34 90.65 16.34 -5.62 90.60 14.27 -7.06 90.88 14.75 3 0 -15.55-999 ?-999 ?-999 ? O6 UNL D 500s mALA~D 95 -4.09 92.41 14.94 -4.45 92.78 14.08 -3.72 94.27 16.54 -3.05 94.89 17.39 -3.10 93.11 15.76 -1.94 93.60 14.90 2 0 19.39-999 ?-999 ?-999 ? O6 UNL D 500 mASP~D 96 -4.99 94.54 16.27 -5.40 93.99 15.55 -7.20 95.42 16.83 -7.65 94.49 16.15 -5.70 95.58 16.98 -5.26 96.97 16.51 2 0 19.96-999 ?-999 ?-999 ? O6 UNL D 500 mTRP~D 97 -7.94 96.32 17.48 -7.38 97.02 17.92 -10.04 96.26 16.20 -10.92 95.45 15.96 -9.40 96.31 17.56 -9.84 97.56 18.32 3 0 19.06-999 ?-999 ?-999 ? O6 UNL D 500 mTYR~D 98 -9.56 97.12 15.31 -8.76 97.61 15.62 -9.93 96.17 13.07 -10.82 95.82 12.30 -10.16 97.31 13.99 -9.70 98.63 13.39 3 0 18.48-999 ?-999 ?-999 ? O6 UNL D 500 mGLU~D 99 -8.74 95.59 13.13 -8.06 96.07 13.69 -9.38 93.21 12.84 -9.81 92.42 12.01 -8.48 94.36 12.40 -7.03 93.94 12.55 2 0 16.24-999 ?-999 ?-999 ? O6 UNL D 500 mSER~D 100 -9.67 93.13 14.15 -9.20 93.81 14.72 -12.00 92.36 14.16 -12.65 91.42 13.72 -10.59 92.14 14.68 -10.61 92.20 16.20 2 0 14.00-999 ?-999 ?-999 ? O6 UNL D 500 mLEU~D 101 -12.50 93.58 14.20 -11.88 94.27 14.59 -13.91 93.60 12.23 -14.87 93.01 11.76 -13.85 93.87 13.73 -14.25 95.33 14.03 3 0 14.21-999 ?-999 ?-999 ? O7 UNL D 500 mMETD 102 -12.89 94.03 11.49 -12.20 94.51 12.03 -12.85 92.32 9.71 -13.57 91.94 8.82 -12.79 93.80 10.05 -11.50 94.45 9.51 2 0 13.35-999 ?-999 ?-999 ? O22 UNL D 500 mLYS~D 103 -12.09 91.48 10.43 -11.53 91.94 11.12 -13.49 89.40 10.49 -13.95 88.53 9.77 -12.11 90.02 10.21 -11.06 89.34 11.08 2 0 10.47-999 ?-999 ?-999 ? O6 UNL D 500 mALA~D 104 -14.16 89.87 11.54 -13.67 90.57 12.06 -16.47 89.74 10.77 -17.25 88.93 10.34 -15.50 89.39 11.89 -15.97 89.99 13.20 2 0 9.16-999 ?-999 ?-999 ? O7 UNL D 500 mTYR~D 105 -16.40 90.98 10.32 -15.71 91.54 10.78 -17.08 90.70 7.96 -18.08 90.35 7.32 -17.24 91.49 9.26 -16.94 92.98 9.03 3 0 10.34-999 ?-999 ?-999 ? O8 UNL D 500 mVAL~D 106 -15.82 90.49 7.54 -15.14 90.89 8.16 -15.93 88.31 6.38 -16.53 87.81 5.44 -15.47 89.75 6.32 -13.91 89.82 6.05 3 0 8.08-999 ?-999 ?-999 ? O22 UNL D 500 mILE~D 107 -15.69 87.64 7.50 -15.24 88.17 8.20 -17.59 86.09 7.64 -18.16 85.22 6.96 -16.07 86.23 7.65 -15.42 85.59 8.94 3 0 6.03-999 ?-999 ?-999 ? O6 UNL D 500 mASP~D 108 -18.26 86.98 8.35 -17.69 87.67 8.81 -20.38 87.25 7.11 -21.33 86.58 6.73 -19.70 86.96 8.44 -20.14 87.95 9.50 2 0 5.65-999 ?-999 ?-999 ? O8 UNL D 500 mTHR~D 109 -19.88 88.25 6.39 -19.09 88.71 6.81 -20.18 87.57 4.01 -21.09 87.19 3.28 -20.46 88.62 5.10 -20.05 90.04 4.67 2 0 8.25-999 ?-999 ?-999 ? O12 UNL D 500 mVAL~D 110 -18.95 87.09 3.91 -18.31 87.51 4.55 -19.36 84.68 3.20 -19.84 84.00 2.28 -18.60 86.02 2.93 -17.07 85.75 2.93 3 0 5.81-999 ?-999 ?-999 ? O22 UNL D 500 mSER~D 111 -19.47 84.31 4.46 -19.03 84.93 5.12 -21.70 83.19 4.52 -22.31 82.23 4.04 -20.17 83.08 4.83 -19.90 82.72 6.29 2 0 -4.32-999 ?-999 ?-999 ? O13 UNL D 500s mALA~D 112 -22.31 84.36 4.75 -21.72 85.06 5.16 -23.91 84.48 2.87 -24.88 83.89 2.40 -23.72 84.56 4.39 -24.27 85.89 4.95 2 0 6.02-999 ?-999 ?-999 ? O12 UNL D 500 mASP~D 113 -23.00 85.06 2.08 -22.31 85.60 2.57 -22.95 83.40 0.26 -23.64 82.92 -0.60 -23.06 84.88 0.62 -21.92 85.61 -0.11 2 0 8.19-999 ?-999 ?-999 ? O15 UNL D 500 mPHE~D 114 -22.03 82.70 0.91 -21.48 83.25 1.53 -23.18 80.51 0.91 -23.62 79.77 0.01 -21.86 81.27 0.71 -20.75 80.74 1.64 3 0 5.60-999 ?-999 ?-999 ? O15 UNL D 500 mTYR~D 115 -23.83 80.73 2.06 -23.39 81.39 2.66 -26.16 80.35 1.35 -26.88 79.45 0.93 -25.08 80.03 2.36 -25.55 80.28 3.80 3 0 -7.54-999 ?-999 ?-999 ? O13 UNL D 500s mARG~D 116 -26.25 81.60 0.91 -25.64 82.25 1.36 -26.93 81.27 -1.50 -27.86 81.02 -2.25 -27.20 81.96 -0.16 -27.22 83.45 -0.40 2 0 10.89-999 ?-999 ?-999 ? O15 UNL D 500 mALA~D 117 -25.66 80.99 -1.81 -25.01 81.27 -1.11 -25.53 78.83 -3.10 -25.79 78.28 -4.16 -25.28 80.34 -3.07 -23.81 80.64 -3.42 2 0 10.39-999 ?-999 ?-999 ? O15 UNL D 500 mILE~D 118 -25.43 78.16 -1.95 -25.21 78.72 -1.16 -27.04 76.29 -1.49 -27.45 75.20 -1.83 -25.63 76.71 -1.90 -24.59 76.00 -0.99 3 0 10.54-999 ?-999 ?-999 ? O15 UNL D 500 mSER~D 119 -27.75 77.15 -0.74 -27.25 77.99 -0.54 -30.02 76.18 -1.25 -30.66 75.19 -0.91 -29.12 76.88 -0.25 -29.84 78.19 0.12 2 0 12.25-999 ?-999 ?-999 ? O1 UNL D 500 mARG~D 120 -30.06 76.71 -2.46 -29.44 77.49 -2.57 -30.59 74.80 -4.00 -31.44 74.13 -4.59 -30.94 76.20 -3.52 -30.99 77.18 -4.72 2 0 15.69-999 ?-999 ?-999 ? O1 UNL D 500 mTYR~D 121 -29.35 74.35 -3.74 -28.79 75.01 -3.24 -29.05 71.91 -3.08 -28.88 70.73 -3.37 -28.88 73.02 -4.15 -27.40 73.09 -4.58 3 0 15.17-999 ?-999 ?-999 ? O1 UNL D 500 mVAL~D 122 -29.38 72.28 -1.84 -29.53 73.26 -1.72 -30.99 71.01 -0.44 -31.87 71.80 -0.78 -29.51 71.30 -0.76 -28.74 71.79 0.51 3 0 14.14-999 ?-999 ?-999 ? O1 UNL D 500 mASP~D 123 -31.25 69.86 0.20 -30.44 69.31 0.38 -33.15 70.49 1.58 -32.41 71.33 2.11 -32.61 69.48 0.59 -32.67 68.06 1.18 2 0 16.82-999 ?-999 ?-999 ? O1 UNL D 500 mALA~D 124 -34.44 70.36 1.86 -34.87 69.59 1.38 -34.66 71.21 4.20 -34.55 72.25 4.84 -35.17 71.24 2.76 -36.70 70.91 2.70 2 0 17.49-999 ?-999 ?-999 ? O10 UNL D 500 mGLY~D 125 -34.36 70.03 4.72 -34.48 69.26 4.09 -32.59 70.64 6.32 -32.39 71.31 7.34 -33.90 69.90 6.10-999.99-999.99-999.99 1 0 16.13-999 ?-999 ?-999 ? O10 UNL D 500 mTHR~D 126 -31.72 70.51 5.33 -32.04 69.96 4.56 -30.55 72.63 5.13 -29.88 73.44 5.76 -30.40 71.13 5.37 -29.49 70.50 4.32 2 0 13.04-999 ?-999 ?-999 ? O10 UNL D 500 mARG~D 127 -31.46 73.01 4.24 -31.94 72.26 3.78 -32.18 75.16 5.26 -31.84 76.32 5.46 -31.71 74.43 3.99 -32.74 74.62 2.87 2 0 12.83-999 ?-999 ?-999 ? O10 UNL D 500 mASP~D 128 -32.95 74.46 6.10 -33.11 73.53 5.79 -32.40 75.26 8.37 -32.42 76.26 9.08 -33.49 75.01 7.34 -34.53 74.03 7.91 2 0 13.03-999 ?-999 ?-999 ? O10 UNL D 500 mVAL~D 129 -31.46 74.33 8.48 -31.61 73.52 7.91 -29.58 75.77 8.94 -29.33 76.64 9.76 -30.31 74.50 9.36 -29.35 73.27 9.30 3 0 10.13-999 ?-999 ?-999 ? O10 UNL D 500 mILE~D 130 -29.23 75.85 7.66 -29.49 75.05 7.12 -29.31 78.30 7.37 -28.76 79.27 7.90 -28.53 77.01 7.11 -28.34 76.90 5.60 3 0 7.93-999 ?-999 ?-999 ? O10 UNL D 500 mGLU~D 131 -30.60 78.29 7.02 -30.87 77.44 6.58 -31.52 79.91 8.73 -31.58 81.11 8.98 -31.51 79.43 7.26 -32.94 79.09 6.80 2 0 9.79-999 ?-999 ?-999 ? O12 UNL D 500 mGLN~D 132 -31.47 78.99 9.68 -31.55 78.05 9.36 -29.95 79.99 11.38 -29.83 80.79 12.29 -31.32 79.37 11.09 -31.49 78.16 11.99 2 0 9.40-999 ?-999 ?-999 ? O12 UNL D 500 mILE~D 133 -28.93 79.57 10.63 -29.18 78.88 9.95 -27.47 81.54 10.31 -26.60 82.28 10.74 -27.56 80.09 10.81 -26.46 79.17 10.09 3 0 -5.62-999 ?-999 ?-999 ? O12 UNL D 500s mGLN~D 134 -28.37 81.93 9.41 -29.02 81.21 9.18 -29.08 84.28 9.75 -30.31 84.48 9.69 -28.40 83.27 8.82 -29.15 83.23 7.48 2 0 6.17-999 ?-999 ?-999 ? O12 UNL D 500 mTHR~D 139 -27.26 92.17 12.83 -28.16 92.21 12.40 -24.76 92.43 12.54 -23.63 92.61 13.02 -25.94 92.10 13.47 -25.69 90.70 14.07 2 0 11.28-999 ?-999 ?-999 ? O12 UNL D 500 mTHR~D 140 -25.00 92.48 11.23 -25.95 92.28 10.99 -23.78 94.28 10.12 -22.66 94.76 10.01 -23.95 92.79 10.24 -24.26 92.19 8.82 2 0 10.84-999 ?-999 ?-999 ? O12 UNL D 500 mGLU~D 141 -24.89 95.01 10.11 -25.74 94.48 10.15 -24.23 97.04 11.32 -23.61 98.09 11.28 -24.84 96.47 10.05 -26.22 97.10 9.75 2 0 14.61-999 ?-999 ?-999 ? O12 UNL D 500 mVAL~D 142 -24.39 96.35 12.45 -25.02 95.58 12.37 -22.17 96.78 13.45 -21.54 97.78 13.80 -23.68 96.70 13.68 -24.00 95.71 14.84 3 0 15.21-999 ?-999 ?-999 ? O12 UNL D 500 mLEU~D 143 -21.60 95.74 12.86 -22.22 94.98 12.67 -19.80 96.71 11.43 -18.76 97.35 11.49 -20.17 95.72 12.55 -19.70 94.32 12.14 3 0 14.12-999 ?-999 ?-999 ? O12 UNL D 500 mARG~D 144 -20.64 96.78 10.39 -21.44 96.20 10.45 -20.31 99.12 9.68 -19.44 99.88 9.26 -20.35 97.66 9.26 -21.40 97.50 8.16 2 0 15.73-999 ?-999 ?-999 ? O12 UNL D 500 mGLU~D 145 -21.27 99.51 10.50 -21.91 98.79 10.78 -20.21 101.21 11.88 -19.73 102.34 11.88 -21.37 100.87 10.95 -22.75 101.11 11.59 2 0 18.87-999 ?-999 ?-999 ? O12 UNL D 500 mARG~D 146 -19.75 100.25 12.67 -20.27 99.39 12.62 -17.31 100.80 12.73 -16.54 101.69 13.12 -18.57 100.46 13.53 -18.29 99.26 14.43 2 0 19.17-999 ?-999 ?-999 ? O12 UNL D 500 mLEU~D 147 -17.12 100.07 11.64 -17.84 99.39 11.48 -16.11 101.50 9.93 -15.17 102.29 9.89 -16.00 100.22 10.73 -15.93 99.02 9.77 3 0 18.60-999 ?-999 ?-999 ? O22 UNL D 500 mARG~D 148 -17.26 101.68 9.29 -17.89 100.91 9.40 -17.30 104.14 9.29 -16.59 105.03 8.83 -17.57 102.86 8.49 -19.06 102.83 8.07 2 0 19.91-999 ?-999 ?-999 ? O22 UNL D 500 mSER~D 149 -17.88 104.20 10.48 -18.43 103.40 10.71 -16.25 105.57 11.81 -15.83 106.70 12.00 -17.71 105.34 11.37 -18.60 105.17 12.60 2 0 23.43-999 ?-999 ?-999 ? O22 UNL D 500 mALA~D 150 -15.51 104.49 11.98 -15.99 103.62 11.84 -13.25 105.11 11.19 -12.38 105.96 11.40 -14.11 104.58 12.35 -13.61 103.25 12.83 2 0 22.97-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 151 -13.55 104.64 9.97 -14.28 103.96 9.97 -13.12 106.54 8.43 -12.26 107.23 7.90 -12.85 105.08 8.76 -13.23 104.20 7.56 3 0 21.68-999 ?-999 ?-999 ? O22 UNL D 500 mALA~D 152 -14.32 107.00 8.75 -14.93 106.31 9.15 -13.89 109.30 9.41 -13.54 110.39 9.00 -14.71 108.37 8.52 -16.21 108.54 8.80 2 0 24.62-999 ?-999 ?-999 ? O22 UNL D 500 mASP~D 153 -13.54 108.85 10.61 -13.86 107.91 10.80 -11.26 109.33 11.63 -10.56 109.86 12.51 -12.77 109.66 11.55 -13.41 109.57 12.94 2 0 27.02-999 ?-999 ?-999 ? O22 UNL D 500 mASP~D 154 -10.77 108.46 10.75 -11.46 108.01 10.18 -8.89 107.70 9.26 -8.94 106.50 8.98 -9.34 108.20 10.65 -8.88 107.20 11.71 2 0 25.68-999 ?-999 ?-999 ? O22 UNL D 500 mPRO~D 155 -8.43 108.62 8.39 -8.48 109.57 8.71 -6.74 107.23 7.15 -6.57 106.49 6.21 -7.89 108.24 7.09 -7.39 109.56 6.52 3 0 24.72-999 ?-999 ?-999 ? O22 UNL D 500 mARG~D 156 -5.98 107.21 8.24 -6.24 107.86 8.95 -5.28 104.83 8.35 -4.57 103.96 7.86 -4.84 106.30 8.35 -4.00 106.55 9.62 2 0 24.32-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 157 -6.44 104.55 8.94 -6.89 105.35 9.34 -7.24 102.61 7.60 -7.08 101.41 7.42 -7.01 103.20 8.97 -8.36 103.18 9.71 3 0 21.18-999 ?-999 ?-999 ? O22 UNL D 500 mALA~D 158 -7.64 103.45 6.64 -7.67 104.41 6.94 -6.97 102.09 4.65 -7.26 100.93 4.33 -8.02 103.00 5.30 -8.33 104.19 4.39 2 0 19.35-999 ?-999 ?-999 ? O22 UNL D 500 mSER~D 159 -5.74 102.58 4.49 -5.61 103.50 4.86 -4.39 100.49 4.55 -4.12 99.48 3.93 -4.70 101.79 3.82 -3.41 102.58 3.70 2 0 19.19-999 ?-999 ?-999 ? O22 UNL D 500 mARG~D 160 -4.39 100.56 5.88 -4.61 101.46 6.24 -5.18 98.32 6.68 -4.88 97.12 6.58 -4.08 99.42 6.72 -3.88 99.90 8.15 2 0 18.44-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 161 -6.44 98.74 6.78 -6.53 99.73 6.92 -7.75 97.27 5.26 -8.24 96.18 5.09 -7.56 97.81 6.69 -8.87 98.44 7.22 3 0 15.54-999 ?-999 ?-999 ? O22 UNL D 500 mALA~D 162 -7.33 98.03 4.24 -7.00 98.94 4.52 -6.40 96.39 2.67 -6.74 95.41 2.01 -7.35 97.58 2.86 -6.99 98.74 1.90 2 0 14.13-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 163 -5.21 96.48 3.25 -5.05 97.36 3.70 -4.69 94.21 4.03 -4.46 93.05 3.65 -4.22 95.39 3.23 -2.89 95.83 3.85 3 0 14.28-999 ?-999 ?-999 ? O22 UNL D 500 mTRP~D 164 -5.30 94.51 5.19 -5.35 95.49 5.40 -6.93 92.72 5.31 -6.93 91.50 5.30 -5.83 93.46 6.05 -6.37 94.05 7.36 3 0 12.98-999 ?-999 ?-999 ? O22 UNL D 500 mGLY~D 165 -7.84 93.47 4.69 -7.73 94.45 4.84 -8.40 91.91 2.82 -8.96 90.82 2.66 -8.91 92.91 3.86-999.99-999.99-999.99 1 0 9.87-999 ?-999 ?-999 ? O22 UNL D 500 mARG~D 166 -7.33 92.27 2.13 -6.98 93.17 2.38 -6.07 90.18 1.66 -6.13 89.12 1.05 -6.74 91.42 1.10 -5.70 92.18 0.28 2 0 9.38-999 ?-999 ?-999 ? O22 UNL D 500 mARG~D 167 -5.36 90.35 2.77 -5.33 91.29 3.11 -5.74 88.21 3.86 -5.53 87.00 3.69 -4.70 89.24 3.43 -3.90 89.74 4.62 2 0 10.54-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 168 -6.87 88.69 4.37 -6.87 89.68 4.48 -8.54 87.11 3.51 -8.77 85.90 3.55 -8.00 87.83 4.73 -9.14 88.65 5.39 3 0 8.03-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 169 -8.76 87.83 2.41 -8.56 88.80 2.53 -8.24 86.18 0.64 -8.62 85.06 0.30 -9.25 87.21 1.16 -9.53 88.27 0.10 3 0 -5.10-999 ?-999 ?-999 ? O22 UNL D 500s mGLY~D 170 -6.96 86.55 0.59 -6.80 87.48 0.92 -5.77 84.37 0.92 -5.70 83.27 0.36 -5.89 85.66 0.10-999.99-999.99-999.99 1 0 7.91-999 ?-999 ?-999 ? O22 UNL D 500 mGLU~D 171 -5.77 84.50 2.24 -5.87 85.44 2.57 -6.82 82.42 3.09 -6.64 81.22 3.27 -5.62 83.35 3.12 -5.30 83.83 4.54 2 0 8.39-999 ?-999 ?-999 ? O20 UNL D 500 mALA~D 172 -8.02 82.96 2.86 -7.99 83.95 2.78 -9.30 81.40 1.40 -9.58 80.21 1.37 -9.26 82.16 2.73 -10.48 83.06 2.87 2 0 4.97-999 ?-999 ?-999 ? O20 UNL D 500 mLEU~D 173 -9.01 82.09 0.31 -8.83 83.06 0.49 -7.95 80.32 -1.12 -8.21 79.32 -1.76 -8.97 81.47 -1.02 -8.61 82.52 -2.10 3 0 4.92-999 ?-999 ?-999 ? O19 UNL D 500 mTHR~D 174 -6.79 80.49 -0.49 -6.66 81.37 -0.04 -6.31 78.16 0.22 -6.02 77.06 -0.21 -5.79 79.43 -0.47 -4.50 79.86 0.22 2 0 8.28-999 ?-999 ?-999 ? O19 UNL D 500 mGLN~D 175 -7.05 78.31 1.31 -7.18 79.26 1.61 -8.81 76.55 1.19 -9.03 75.34 1.22 -7.62 77.14 1.96 -8.01 77.43 3.42 2 0 7.52-999 ?-999 ?-999 ? O18 UNL D 500 mALA~D 176 -9.60 77.38 0.52 -9.36 78.35 0.63 -10.15 75.97 -1.40 -10.64 74.86 -1.65 -10.71 76.86 -0.29 -11.54 77.98 -0.90 2 0 5.30-999 ?-999 ?-999 ? O18 UNL D 500 mGLN~D 177 -9.10 76.45 -2.04 -8.86 77.39 -1.78 -7.78 74.37 -2.44 -7.91 73.31 -3.02 -8.37 75.67 -3.04 -7.28 76.55 -3.64 2 0 8.47-999 ?-999 ?-999 ? O19 UNL D 500 mARG~D 178 -7.14 74.44 -1.27 -7.14 75.36 -0.87 -7.55 72.20 -0.32 -7.40 71.04 -0.69 -6.51 73.26 -0.67 -5.64 73.68 0.54 2 0 10.79-999 ?-999 ?-999 ? O18 UNL D 500 mVAL~D 179 -8.64 72.63 0.31 -8.61 73.61 0.52 -10.44 71.07 -0.57 -11.02 69.99 -0.39 -9.76 71.75 0.65 -10.80 72.52 1.50 3 0 9.92-999 ?-999 ?-999 ? O18 UNL D 500 mSER~D 180 -10.35 71.64 -1.77 -9.87 72.53 -1.78 -10.11 69.75 -3.38 -10.67 68.76 -3.84 -10.91 70.99 -2.98 -11.00 71.95 -4.16 2 0 10.93-999 ?-999 ?-999 ? O18 UNL D 500 mTYR~D 181 -8.80 69.78 -3.21 -8.44 70.66 -2.90 -7.98 67.64 -2.28 -7.99 66.43 -2.46 -8.00 68.59 -3.46 -6.55 68.95 -3.78 3 0 14.25-999 ?-999 ?-999 ? O18 UNL D 500 mGLU~D 182 -7.90 68.19 -1.07 -7.99 69.19 -1.05 -8.92 66.58 0.56 -8.81 65.43 0.97 -7.70 67.36 0.11 -7.16 68.18 1.29 2 0 14.80-999 ?-999 ?-999 ? O18 UNL D 500 mHIS~D 183 -10.07 67.23 0.52 -10.00 68.15 0.12 -12.47 67.28 0.23 -13.32 68.00 0.79 -11.32 66.65 1.01 -11.48 66.89 2.54 3 0 13.72-999 ?-999 ?-999 ? O16 UNL D 500 mALA~D 184 -12.46 67.02 -1.07 -11.71 66.42 -1.35 -14.84 67.08 -1.62 -15.06 65.88 -1.42 -13.45 67.56 -1.99 -13.12 67.10 -3.41 2 0 12.86-999 ?-999 ?-999 ? O16 UNL D 500 mPHE~D 185 -15.78 68.01 -1.49 -15.44 68.94 -1.57 -18.22 68.62 -1.90 -19.36 68.24 -2.14 -17.21 67.65 -1.25 -17.49 67.58 0.26 3 0 12.30-999 ?-999 ?-999 ? O16 UNL D 500 mLEU~D 186 -17.80 69.86 -2.17 -16.83 70.00 -2.00 -19.23 70.69 -4.07 -20.40 70.98 -4.35 -18.71 70.92 -2.65 -18.04 72.30 -2.52 3 0 10.08-999 ?-999 ?-999 ? O16 UNL D 500 mGLY~D 187 -18.39 70.18 -4.97 -17.45 70.07 -4.64 -19.94 68.78 -6.34 -20.81 68.78 -7.22 -18.83 69.83 -6.32-999.99-999.99-999.99 1 0 13.06-999 ?-999 ?-999 ? O16 UNL D 500 mSER~D 188 -19.93 67.87 -5.37 -19.19 67.99 -4.71 -22.30 67.26 -4.80 -23.27 66.52 -4.94 -20.93 66.80 -5.31 -20.43 65.65 -4.44 2 0 15.40-999 ?-999 ?-999 ? O16 UNL D 500 mLEU~D 189 -22.37 68.44 -4.17 -21.48 68.87 -4.02 -24.18 69.90 -4.88 -25.27 69.66 -5.40 -23.65 69.03 -3.75 -23.52 69.89 -2.47 3 0 13.92-999 ?-999 ?-999 ? O1 UNL D 500 mILE~D 190 -23.39 70.90 -5.27 -22.52 70.96 -4.78 -23.54 71.21 -7.72 -24.26 70.29 -8.13 -23.79 71.82 -6.34 -23.10 73.23 -6.21 3 0 13.69-999 ?-999 ?-999 ? O16 UNL D 500 mALA~D 196 -15.73 67.22 -13.09 -15.97 66.63 -12.32 -16.21 69.38 -14.23 -15.68 70.49 -14.06 -15.38 68.10 -14.21 -15.56 67.34 -15.53 2 0 19.48-999 ?-999 ?-999 ? O19 UNL D 500 mALA~D 197 -17.52 69.23 -14.46 -17.79 68.27 -14.58 -18.66 71.00 -13.14 -18.79 72.23 -13.03 -18.46 70.35 -14.51 -19.80 69.88 -15.07 2 0 18.75-999 ?-999 ?-999 ? O19 UNL D 500 mALA~D 198 -18.69 70.17 -12.10 -18.60 69.20 -12.35 -17.59 71.35 -10.27 -17.68 72.41 -9.63 -18.84 70.62 -10.73 -19.15 69.46 -9.82 2 0 15.73-999 ?-999 ?-999 ? O17 UNL D 500 mLYS~D 199 -16.41 70.80 -10.59 -16.49 69.92 -11.05 -15.14 72.91 -10.78 -14.71 73.83 -10.09 -15.13 71.45 -10.28 -13.96 70.68 -10.90 2 0 14.31-999 ?-999 ?-999 ? O19 UNL D 500 mGLU~D 200 -15.66 73.09 -11.98 -15.99 72.25 -12.42 -16.78 75.26 -11.88 -16.57 76.45 -11.68 -15.76 74.41 -12.60 -16.17 74.28 -14.07 2 0 14.44-999 ?-999 ?-999 ? O19 UNL D 500 mLEU~D 201 -17.91 74.64 -11.52 -17.93 73.67 -11.76 -18.59 75.89 -9.46 -19.06 76.95 -9.03 -19.01 75.35 -10.85 -20.27 74.46 -10.76 3 0 13.38-999 ?-999 ?-999 ? O19 UNL D 500 mVAL~D 202 -17.71 75.14 -8.80 -17.45 74.30 -9.27 -16.21 76.71 -7.63 -16.16 77.56 -6.76 -17.16 75.53 -7.50 -16.49 74.34 -6.79 3 0 10.03-999 ?-999 ?-999 ? O19 UNL D 500 mSER~D 203 -15.46 76.78 -8.73 -15.56 75.99 -9.34 -15.39 79.17 -9.39 -14.99 80.31 -9.10 -14.58 77.93 -8.99 -13.58 77.59 -10.08 2 0 9.54-999 ?-999 ?-999 ? O19 UNL D 500 mGLY~D 204 -16.51 78.96 -10.06 -16.67 78.01 -10.33 -18.10 80.56 -9.09 -18.36 81.75 -8.95 -17.42 80.05 -10.36-999.99-999.99-999.99 1 0 10.90-999 ?-999 ?-999 ? O19 UNL D 500 mLEU~D 205 -18.41 79.64 -8.18 -18.17 78.71 -8.44 -18.04 80.79 -6.04 -18.40 81.84 -5.52 -19.03 80.00 -6.91 -19.53 78.72 -6.23 3 0 8.66-999 ?-999 ?-999 ? O19 UNL D 500 mILE~D 206 -16.81 80.29 -5.94 -16.68 79.42 -6.42 -15.45 82.32 -5.77 -15.43 83.30 -5.02 -15.73 80.94 -5.21 -14.45 80.08 -5.24 3 0 5.42-999 ?-999 ?-999 ? O19 UNL D 500 mALA~D 207 -15.26 82.40 -7.08 -15.29 81.51 -7.54 -16.08 84.74 -7.46 -15.73 85.90 -7.23 -15.02 83.67 -7.78 -14.96 83.43 -9.27 2 0 7.07-999 ?-999 ?-999 ? O21 UNL D 500 mGLY~D 208 -17.35 84.35 -7.42 -17.49 83.38 -7.64 -18.41 85.75 -5.63 -18.76 86.90 -5.33 -18.44 85.28 -7.08-999.99-999.99-999.99 1 0 7.94-999 ?-999 ?-999 ? O21 UNL D 500 mLEU~D 209 -18.00 84.89 -4.71 -17.85 83.96 -5.05 -16.69 86.39 -3.23 -16.82 87.35 -2.48 -17.78 85.31 -3.31 -17.40 84.12 -2.43 3 0 -4.95-999 ?-999 ?-999 ? O21 UNL D 500s mALA~D 210 -15.62 86.22 -4.01 -15.67 85.38 -4.56 -14.96 88.50 -4.55 -14.58 89.53 -3.99 -14.50 87.17 -4.07 -13.41 86.67 -5.01 2 0 4.25-999 ?-999 ?-999 ? O22 UNL D 500 mGLU~D 211 -15.79 88.49 -5.60 -16.01 87.57 -5.92 -17.16 90.48 -5.24 -16.99 91.69 -5.10 -16.31 89.71 -6.23 -17.12 89.40 -7.49 2 0 7.77-999 ?-999 ?-999 ? O22 UNL D 500 mLYS~D 212 -18.06 89.79 -4.53 -18.09 88.81 -4.72 -18.10 91.07 -2.42 -18.37 92.18 -1.94 -18.92 90.49 -3.56 -20.04 89.61 -3.04 2 0 7.94-999 ?-999 ?-999 ? O22 UNL D 500 mHIS~D 213 -17.07 90.34 -2.02 -16.98 89.46 -2.49 -15.52 92.15 -1.38 -15.54 93.13 -0.63 -16.15 90.81 -0.99 -15.06 89.78 -0.77 3 0 5.95-999 ?-999 ?-999 ? O22 UNL D 500 mSER~D 214 -14.96 92.18 -2.59 -15.07 91.34 -3.13 -15.20 94.51 -3.28 -14.78 95.64 -3.13 -14.26 93.33 -3.07 -13.48 92.97 -4.33 2 0 8.43-999 ?-999 ?-999 ? O22 UNL D 500 mLYS~D 215 -16.46 94.27 -3.61 -16.67 93.30 -3.79 -17.74 95.89 -2.30 -17.85 97.10 -2.13 -17.45 95.35 -3.70 -18.74 94.89 -4.40 2 0 11.14-999 ?-999 ?-999 ? O22 UNL D 500 mARG~D 216 -17.87 95.01 -1.31 -17.86 94.06 -1.61 -16.85 96.29 0.58 -17.05 97.23 1.33 -18.03 95.45 0.10 -18.22 94.28 1.07 2 0 10.92-999 ?-999 ?-999 ? O22 UNL D 500 mMETD 217 -15.64 95.95 0.15 -15.63 95.14 -0.44 -14.50 98.12 -0.07 -14.14 99.09 0.59 -14.45 96.72 0.52 -13.15 96.02 0.07 2 0 11.38-999 ?-999 ?-999 ? O22 UNL D 500 mTHR~D 218 -14.96 98.22 -1.32 -15.16 97.34 -1.74 -16.22 100.37 -1.27 -16.04 101.56 -1.10 -15.16 99.53 -1.99 -15.57 99.37 -3.49 2 0 14.30-999 ?-999 ?-999 ? O22 UNL D 500 mGLN~D 219 -17.32 99.74 -0.85 -17.35 98.76 -1.05 -17.90 101.01 1.23 -18.42 102.02 1.71 -18.37 100.46 -0.13 -19.63 99.61 0.02 2 0 15.75-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 220 -16.90 100.36 1.83 -16.63 99.51 1.37 -15.24 101.92 2.77 -14.62 102.45 3.69 -16.28 100.85 3.07 -15.60 99.73 3.85 3 0 16.01-999 ?-999 ?-999 ? O22 UNL D 500 mGLY~D 221 -15.01 102.20 1.49 -15.55 101.65 0.85 -12.61 102.73 1.01 -11.68 103.51 1.13 -14.05 103.22 1.07-999.99-999.99-999.99 1 0 17.88-999 ?-999 ?-999 ? O22 UNL D 500 mLEU~D 222 -12.43 101.43 0.82 -13.27 100.90 0.68 -10.66 100.46 -0.61 -11.48 100.44 -1.52 -11.09 100.84 0.81 -11.08 99.59 1.71 3 0 15.72-999 ?-999 ?-999 ? O22 UNL D 500 mTHR~D 223 -9.38 100.16 -0.79 -8.80 100.25 0.02 -9.21 98.24 -2.29 -9.69 97.57 -1.37 -8.88 99.73 -2.10 -7.36 99.96 -2.24 2 0 15.27-999 ?-999 ?-999 ? O22 UNL D 500