REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-APR-07 2PH7 COMPND UNCHARACTERIZED PROTEIN AF_2093; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 STRAIN: VC-16, DSM 4304, JCM 9628, NBRC 100126; SOURCE 5 ATCC: 49558; SOURCE 6 GENE: AF_2093; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-RIPL; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PDEST-527 AUTHOR J.C.CHANG,H.YANG,J.HWANG,J.ZHU,L.CHEN,Z-Q.FU,H.XU,J.P.ROSE, AUTHOR 2 B-C.WANG,SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS AUTHOR 3 (SECSG) HET MSE A 1 8 HET MSE A 12 8 HET MSE A 36 8 HET MSE A 111 8 HET MSE A 129 8 HET MSE A 159 8 HET MSE B 1 8 HET MSE B 12 8 HET MSE B 36 8 HET MSE B 111 8 HET MSE B 129 8 HET MSE B 159 8 >GLY.A 0 97.09 76.01 50.03 96.90 76.83 50.12 97.00 76.42 50.07 1 0 1000.00 -999 ? >MET?A 1 95.39 74.60 48.13 91.94 71.94 48.58 93.67 73.27 48.35 2 0 1000.00 -999 ? >ASP.A 2 97.21 71.01 45.37 95.50 69.74 45.61 96.35 70.37 45.49 2 0 1000.00 -999 ? >VAL.A 3 93.42 72.93 43.63 91.40 72.02 43.96 92.41 72.48 43.80 3 0 1000.00 -999 ? >GLU.A 4 93.12 78.98 45.06 93.02 79.96 46.96 93.07 79.47 46.01 2 0 1000.00 -999 ? >ILE.A 5 98.36 76.11 42.81 99.60 76.01 43.38 98.98 76.06 43.10 3 0 1000.00 -999 ? >VAL.A 6 95.82 74.50 39.43 95.58 72.33 39.21 95.70 73.42 39.32 3 0 1000.00 -999 ? >GLU.A 7 90.87 76.20 40.15 89.56 76.47 41.81 90.21 76.33 40.98 2 0 1000.00 -999 ? >GLU.A 8 96.54 81.96 39.88 94.83 83.04 40.51 95.69 82.50 40.19 2 0 1000.00 -999 ? >LEU.A 9 98.24 76.68 36.56 100.19 75.99 35.85 99.22 76.34 36.21 3 0 1000.00 -999 ? >SER.A 10 94.55 77.26 34.11 93.89 75.07 34.93 94.22 76.17 34.52 2 0 1000.00 -999 ? >LYS.A 11 93.80 81.01 33.85 91.08 82.59 39.35 92.44 81.80 36.60 2 0 1000.00 -999 ? >MET?A 12 97.29 81.83 32.50 100.42 81.78 35.41 98.86 81.80 33.96 2 0 1000.00 -999 ? >LEU.A 13 97.53 77.73 30.24 99.52 77.20 30.91 98.52 77.46 30.58 3 0 1000.00 -999 ? >ALA.A 14 93.53 79.89 28.53 92.52 80.80 29.22 93.03 80.34 28.87 2 0 1000.00 -999 ? >GLY.A 15 93.31 79.70 24.72 93.90 79.30 25.09 93.60 79.50 24.91 1 0 1000.00 -999 ? >ARG.A 16 99.32 79.81 25.18 102.07 79.00 26.27 100.70 79.40 25.73 2 0 1000.00 -999 ? >LYS.A 17 96.90 75.19 21.81 93.09 77.82 18.72 95.00 76.50 20.26 2 0 1000.00 -999 ? >ALA.A 18 100.34 73.90 22.91 101.23 73.74 21.67 100.79 73.82 22.29 2 0 1000.00 -999 ? >VAL.A 19 102.48 73.89 26.08 100.83 73.94 27.61 101.65 73.92 26.84 3 0 1000.00 -999 ? >THR~A 20 105.52 72.16 27.52 107.19 73.27 26.69 106.35 72.71 27.10 2 0 1000.00 -999 ? >GLU~A 21 106.54 68.60 32.53 107.86 66.98 32.89 107.20 67.79 32.71 2 0 1000.00 -999 ? >GLU~A 22 110.22 72.72 29.67 110.34 70.64 29.20 110.28 71.68 29.43 2 0 1000.00 -999 ? >GLU~A 23 105.07 77.66 29.87 103.65 77.94 28.34 104.36 77.80 29.10 2 0 1000.00 -999 ? >ILE~A 24 102.99 73.07 33.03 101.90 73.59 32.72 102.45 73.33 32.88 3 0 1000.00 -999 ? >ARG~A 25 109.39 71.31 36.70 108.01 68.62 37.28 108.70 69.96 36.99 2 0 1000.00 -999 ? >ARG~A 26 109.36 79.92 33.73 107.75 81.42 31.57 108.55 80.67 32.65 2 0 1000.00 -999 ? >LYS~A 27 104.29 78.89 36.14 102.91 81.27 30.46 103.60 80.08 33.30 2 0 1000.00 -999 ? >ALA~A 28 103.20 76.42 38.84 103.33 74.92 38.71 103.27 75.67 38.78 2 0 1000.00 -999 ? >ILE~A 29 107.51 77.62 40.82 108.76 77.16 40.89 108.14 77.39 40.86 3 0 1000.00 -999 ? >ARG~A 30 106.34 82.34 37.04 105.08 84.37 35.11 105.71 83.35 36.08 2 0 1000.00 -999 ? >CYH~A 31 101.17 80.48 41.20 99.95 80.12 38.75 100.56 80.30 39.97 2 0 1000.00 -999 ? >ALA~A 32 102.25 78.63 44.33 103.26 77.49 44.40 102.76 78.06 44.37 2 0 1000.00 -999 ? >LEU~A 33 105.08 82.63 44.63 106.21 84.38 45.31 105.65 83.50 44.97 3 0 1000.00 -999 ? >LYS~A 34 100.89 84.03 44.58 97.04 87.02 42.31 98.97 85.53 43.45 2 0 1000.00 -999 ? >ILE~A 35 98.05 80.51 46.11 97.16 79.83 45.56 97.61 80.17 45.83 3 0 1000.00 -999 ? >MET?A 36 101.11 80.91 49.59 101.93 76.88 48.97 101.51 78.89 49.28 2 0 1000.00 -999 ? >GLY~A 37 103.61 83.76 49.85 103.66 82.96 50.02 103.63 83.36 49.94 1 0 1000.00 -999 ? >ALA~A 38 106.03 83.15 52.75 106.05 83.97 54.03 106.04 83.56 53.39 2 0 1000.00 -999 ? >LEU~A 40 106.61 79.56 48.93 106.56 79.16 46.78 106.59 79.36 47.85 3 0 1000.00 -999 ? >VAL~A 41 109.51 77.96 52.29 109.84 79.58 53.81 109.67 78.77 53.05 3 0 1000.00 -999 ? >GLY~A 42 107.72 74.83 53.60 107.68 75.00 52.83 107.70 74.92 53.21 1 0 1000.00 -999 ? >ILE~A 43 106.06 74.43 49.05 104.88 73.81 48.86 105.47 74.12 48.95 3 0 1000.00 -999 ? >ASP~A 44 108.34 69.02 49.41 106.40 68.12 49.52 107.37 68.57 49.47 2 0 1000.00 -999 ? >ALA~A 45 108.92 69.53 45.08 110.21 68.94 44.49 109.57 69.24 44.78 2 0 1000.00 -999 ? >GLU~A 46 106.59 64.68 46.08 107.11 63.47 47.76 106.85 64.08 46.92 2 0 1000.00 -999 ? >LEU~A 47 103.35 71.09 46.28 101.64 72.51 46.40 102.49 71.80 46.34 3 0 1000.00 -999 ? >ILE~A 48 106.14 71.90 41.90 105.74 73.24 41.57 105.94 72.57 41.73 3 0 1000.00 -999 ? >GLU~A 49 107.03 66.37 41.51 108.13 66.97 39.80 107.58 66.67 40.65 2 0 1000.00 -999 ? >ASP~A 50 100.66 66.97 42.92 100.89 64.99 43.64 100.77 65.98 43.28 2 0 1000.00 -999 ? >VAL~A 51 100.21 70.55 40.11 100.23 72.60 40.90 100.22 71.57 40.51 3 0 1000.00 -999 ? >THR~A 52 102.06 70.01 36.81 104.20 69.86 37.12 103.13 69.93 36.97 2 0 1000.00 -999 ? >CYH~A 53 100.51 66.53 36.42 102.53 64.74 36.92 101.52 65.63 36.67 2 0 1000.00 -999 ? >SER.A 54 97.19 68.40 36.63 96.60 69.00 38.86 96.89 68.70 37.75 2 0 1000.00 -999 ? >LEU.A 55 98.42 70.96 33.36 97.59 71.68 35.08 98.01 71.32 34.22 3 0 1000.00 -999 ? >ILE.A 56 100.99 67.57 31.07 102.12 68.26 31.28 101.56 67.91 31.17 3 0 1000.00 -999 ? >ASP.A 57 100.30 63.03 33.05 101.51 62.50 31.41 100.91 62.76 32.23 2 0 1000.00 -999 ? >LEU.A 65 92.46 74.20 30.77 93.36 75.08 28.97 92.91 74.64 29.87 3 0 1000.00 -999 ? >HIS.A 66 93.32 67.36 30.83 94.02 65.48 31.46 93.67 66.42 31.15 3 0 1000.00 -999 ? >PHE.A 67 97.52 71.64 27.69 96.83 74.37 27.72 97.18 73.01 27.70 3 0 1000.00 -999 ? >SER.A 68 96.49 65.44 27.37 94.32 65.16 26.34 95.41 65.30 26.85 2 0 1000.00 -999 ? >GLU^A 69 95.78 63.64 23.00 94.12 63.76 21.67 94.95 63.70 22.34 2 0 1000.00 -999 ? >LYS^A 70 101.62 64.62 23.04 103.82 60.83 27.67 102.72 62.73 25.36 2 0 1000.00 -999 ? >VAL^A 71 103.44 65.90 19.92 102.92 67.71 18.72 103.18 66.80 19.32 3 0 1000.00 -999 ? >LYS^A 72 107.24 65.57 19.74 111.39 63.21 22.40 109.32 64.39 21.07 2 0 1000.00 -999 ? >ILE^A 73 108.47 69.70 17.67 107.79 69.86 16.35 108.13 69.78 17.01 3 0 1000.00 -999 ? >GLY.A 74 112.82 67.56 17.79 112.18 67.33 18.26 112.50 67.44 18.02 1 0 1000.00 -999 ? >ASP.A 75 115.32 67.25 21.84 115.71 69.33 22.06 115.52 68.29 21.95 2 0 1000.00 -999 ? >VAL^A 76 110.93 68.97 22.80 111.06 71.17 22.91 110.99 70.07 22.85 3 0 1000.00 -999 ? >LEU^A 77 107.61 66.31 25.07 106.26 64.59 25.06 106.93 65.45 25.06 3 0 1000.00 -999 ? >PHE^A 78 105.53 71.33 21.76 107.64 73.07 21.11 106.58 72.20 21.44 3 0 1000.00 -999 ? >TYR^A 79 102.06 67.94 26.94 103.94 66.27 28.16 103.00 67.10 27.55 3 0 1000.00 -999 ? >HIS^A 80 97.68 68.91 20.93 97.32 67.21 19.77 97.50 68.06 20.35 3 0 1000.00 -999 ? >PRO.A 81 94.09 71.99 24.26 94.69 69.86 23.93 94.39 70.93 24.09 3 0 1000.00 -999 ? >HIS.A 82 90.01 65.00 22.78 89.37 63.24 21.84 89.69 64.12 22.31 3 0 1000.00 -999 ? >VAL.A 83 90.80 67.69 19.20 89.40 66.32 18.14 90.10 67.00 18.67 3 0 1000.00 -999 ? >ILE.A 84 92.43 72.07 20.52 91.37 72.92 20.23 91.90 72.49 20.37 3 0 1000.00 -999 ? >LYS.A 85 95.15 71.22 16.70 96.68 68.20 12.33 95.92 69.71 14.52 2 0 1000.00 -999 ? >PRO.A 86 99.22 71.44 18.29 97.77 72.84 17.27 98.50 72.14 17.78 3 0 1000.00 -999 ? >LYS~A 88 102.74 76.99 13.60 106.99 78.41 10.07 104.86 77.70 11.83 2 0 1000.00 -999 ? >ASP~A 90 99.77 77.15 18.82 97.98 78.00 18.12 98.87 77.57 18.47 2 0 1000.00 -999 ? >PHE~A 91 103.89 73.81 17.35 102.65 71.31 17.25 103.27 72.56 17.30 3 0 1000.00 -999 ? >GLU~A 92 106.46 79.78 15.67 106.37 81.26 14.14 106.42 80.52 14.91 2 0 1000.00 -999 ? >GLN~A 93 102.98 81.90 22.91 100.95 82.28 23.40 101.96 82.09 23.16 2 0 1000.00 -999 ? >ALA~A 94 104.93 77.37 23.22 104.27 76.07 22.79 104.60 76.72 23.00 2 0 1000.00 -999 ? >TYR~A 95 110.49 76.92 20.48 113.23 76.49 20.31 111.86 76.70 20.39 3 0 1000.00 -999 ? >PHE~A 96 108.72 83.29 23.66 108.93 85.50 25.38 108.83 84.40 24.52 3 0 1000.00 -999 ? >GLU~A 97 105.54 80.84 26.76 105.63 82.09 28.48 105.59 81.46 27.62 2 0 1000.00 -999 ? >TYR~A 98 110.94 74.49 25.69 113.01 72.61 25.80 111.97 73.55 25.74 3 0 1000.00 -999 ? >LYS~A 99 113.20 78.50 26.17 116.79 77.86 21.91 115.00 78.18 24.04 2 0 1000.00 -999 ? >GLN~A 100 111.21 83.15 28.30 110.02 84.67 29.23 110.61 83.91 28.77 2 0 1000.00 -999 ? >SER~A 101 111.36 78.16 31.30 108.99 78.15 30.83 110.18 78.16 31.06 2 0 1000.00 -999 ? >LYS~A 102 114.30 75.89 30.56 117.83 71.59 28.30 116.07 73.74 29.43 2 0 1000.00 -999 ? >LYS~A 103 116.74 78.74 31.12 118.95 83.59 31.32 117.85 81.16 31.22 2 0 1000.00 -999 ? >PHE~A 104 113.46 79.45 36.39 112.68 78.91 39.03 113.07 79.18 37.71 3 0 1000.00 -999 ? >LEU~A 105 114.20 74.57 34.62 112.11 74.17 35.10 113.15 74.37 34.86 3 0 1000.00 -999 ? >ASP~A 106 119.26 75.14 32.71 118.43 73.76 31.30 118.85 74.45 32.01 2 0 1000.00 -999 ? >ALA~A 107 119.99 77.84 36.29 119.75 79.30 35.94 119.87 78.57 36.11 2 0 1000.00 -999 ? >PHE~A 108 115.77 76.11 40.58 114.36 76.14 43.00 115.06 76.13 41.79 3 0 1000.00 -999 ? >ASP~A 109 120.43 73.22 41.09 118.68 72.06 41.49 119.55 72.64 41.29 2 0 1000.00 -999 ? >ILE~A 110 123.91 77.16 39.24 124.79 77.04 38.24 124.35 77.10 38.74 3 0 1000.00 -999 ? >MET?A 111 121.33 79.90 41.88 118.36 81.83 39.62 119.85 80.86 40.75 2 0 1000.00 -999 ? >ARG~A 112 117.15 76.45 45.26 117.85 73.45 45.46 117.50 74.95 45.36 2 0 1000.00 -999 ? >GLU~A 113 126.59 76.16 44.57 127.57 75.00 43.07 127.08 75.58 43.82 2 0 1000.00 -999 ? >VAL~A 114 125.60 80.66 44.78 126.07 81.76 42.93 125.84 81.21 43.86 3 0 1000.00 -999 ? >THR~A 115 123.02 82.13 47.20 121.04 82.92 46.78 122.03 82.52 46.99 2 0 1000.00 -999 ? >ASP~A 116 123.94 78.10 49.79 122.01 77.27 49.78 122.98 77.68 49.79 2 0 1000.00 -999 ? >PHE~A 118 125.54 86.46 49.19 125.27 89.17 49.82 125.40 87.81 49.50 3 0 1000.00 -999 ? >PHE~A 119 122.50 84.45 52.53 121.00 86.71 51.87 121.75 85.58 52.20 3 0 1000.00 -999 ? >GLU.A 120 129.77 81.38 53.98 130.97 80.39 52.54 130.37 80.88 53.26 2 0 1000.00 -999 ? >GLY.A 121 126.97 80.36 57.52 126.71 81.18 57.75 126.84 80.77 57.64 1 0 1000.00 -999 ? >TYR.A 122 122.87 83.78 57.07 123.39 86.49 57.38 123.13 85.13 57.22 3 0 1000.00 -999 ? >ALA^A 124 119.09 77.49 55.33 119.95 77.41 54.09 119.52 77.45 54.71 2 0 1000.00 -999 ? >GLU^A 125 114.32 77.18 56.53 112.95 77.00 58.15 113.64 77.09 57.34 2 0 1000.00 -999 ? >GLY.A 126 113.41 75.75 51.64 114.17 75.50 51.52 113.79 75.63 51.58 1 0 1000.00 -999 ? >ARG.A 127 112.69 72.23 45.47 114.57 71.25 43.26 113.63 71.74 44.36 2 0 1000.00 -999 ? >TYR.A 128 109.92 75.81 44.87 109.83 73.28 43.65 109.87 74.55 44.26 3 0 1000.00 -999 ? >MET?A 129 111.64 80.19 48.58 109.48 83.36 50.44 110.56 81.77 49.51 2 0 1000.00 -999 ? >ARG.A 130 118.05 77.96 50.00 119.30 75.40 51.18 118.68 76.68 50.59 2 0 1000.00 -999 ? >LYS.A 131 115.04 81.33 54.19 112.14 81.92 59.76 113.59 81.63 56.97 2 0 1000.00 -999 ? >TYR.A 132 119.63 82.21 53.33 119.84 80.93 50.87 119.73 81.57 52.10 3 0 1000.00 -999 ? >THR.A 133 118.93 82.87 59.32 117.69 81.60 60.62 118.31 82.24 59.97 2 0 1000.00 -999 ? >LYS.A 134 122.11 83.59 61.35 127.30 83.37 61.74 124.71 83.48 61.55 2 0 1000.00 -999 ? >ASP.A 135 122.80 86.46 65.10 124.67 85.47 65.37 123.73 85.97 65.24 2 0 1000.00 -999 ? >GLY.A 136 117.88 85.92 64.61 118.42 86.14 64.04 118.15 86.03 64.32 1 0 1000.00 -999 ? >ASN^A 138 115.00 86.15 58.56 114.74 85.26 60.48 114.87 85.70 59.52 2 0 1000.00 -999 ? >TYR^A 139 118.85 88.09 54.22 120.27 90.34 55.08 119.56 89.22 54.65 3 0 1000.00 -999 ? >TYR^A 140 112.18 85.29 53.87 111.38 84.64 56.46 111.78 84.97 55.17 3 0 1000.00 -999 ? >ALA^A 141 115.19 84.41 48.65 116.63 83.84 48.46 115.91 84.12 48.55 2 0 1000.00 -999 ? >PHE^A 142 110.50 83.83 44.61 108.88 82.61 42.67 109.69 83.22 43.64 3 0 1000.00 -999 ? >PHE^A 143 115.83 80.73 43.89 117.47 80.52 46.15 116.65 80.63 45.02 3 0 1000.00 -999 ? >SER.A 144 112.79 83.57 39.42 110.68 84.72 38.88 111.74 84.15 39.15 2 0 1000.00 -999 ? >THR~A 145 113.76 85.38 36.18 113.04 84.06 34.59 113.40 84.72 35.39 2 0 1000.00 -999 ? >ILE~A 146 114.69 90.09 35.07 114.71 90.87 35.31 114.70 90.48 35.19 3 0 1000.00 -999 ? >ASP~A 147 110.78 87.95 31.54 111.97 88.94 30.07 111.37 88.45 30.81 2 0 1000.00 -999 ? >ASP~A 148 109.04 85.36 36.06 108.94 83.75 34.71 108.99 84.55 35.39 2 0 1000.00 -999 ? >THR~A 149 109.56 89.23 38.19 111.31 89.44 39.51 110.44 89.33 38.85 2 0 1000.00 -999 ? >PHE~A 150 108.31 93.35 33.68 107.34 95.63 32.36 107.82 94.49 33.02 3 0 1000.00 -999 ? >GLU~A 151 105.00 89.12 33.13 104.75 87.30 32.08 104.87 88.21 32.61 2 0 1000.00 -999 ? >ASP~A 152 105.41 87.81 39.53 104.85 86.12 38.38 105.13 86.97 38.95 2 0 1000.00 -999 ? >VAL~A 153 105.89 92.50 40.41 106.12 94.58 39.71 106.00 93.54 40.06 3 0 1000.00 -999 ? >ASP~A 154 101.32 93.20 42.01 100.96 94.91 40.85 101.14 94.06 41.43 2 0 1000.00 -999 ? >ILE~A 155 103.49 88.43 43.69 103.05 87.13 43.33 103.27 87.78 43.51 3 0 1000.00 -999 ? >HIS~A 156 108.21 89.53 43.26 108.39 87.66 42.34 108.30 88.59 42.80 3 0 1000.00 -999 ? >LEU~A 157 105.51 95.35 45.43 106.53 96.70 44.04 106.02 96.02 44.73 3 0 1000.00 -999 ? >ARG~A 158 100.07 92.55 47.39 98.68 90.49 45.56 99.37 91.52 46.47 2 0 1000.00 -999 ? >MET?A 159 106.12 90.10 49.85 105.53 86.77 49.82 105.83 88.44 49.84 2 0 1000.00 -999 ? >VAL~A 160 108.63 92.51 51.40 109.28 94.54 50.71 108.96 93.53 51.06 3 0 1000.00 -999 ? >ASP.A 161 105.10 94.48 54.02 105.75 96.48 54.26 105.43 95.48 54.14 2 0 1000.00 -999 ? >GLU.A 162 103.06 89.90 53.31 102.00 88.93 51.77 102.53 89.41 52.54 2 0 1000.00 -999 ? >VAL.A 163 108.34 88.38 56.14 109.31 87.93 54.18 108.83 88.15 55.16 3 0 1000.00 -999 ? >ASP.A 164 110.06 88.40 60.73 110.42 86.33 60.84 110.24 87.37 60.79 2 0 1000.00 -999 ? >GLY.A 165 113.50 89.74 57.42 112.82 90.08 57.03 113.16 89.91 57.22 1 0 1000.00 -999 ? >ASP^A 166 116.07 91.51 53.78 116.62 92.92 55.20 116.35 92.22 54.49 2 0 1000.00 -999 ? >TYR^A 167 110.95 89.13 49.48 109.87 87.79 47.30 110.41 88.46 48.39 3 0 1000.00 -999 ? >VAL^A 168 115.18 89.11 47.80 117.35 88.55 47.82 116.26 88.83 47.81 3 0 1000.00 -999 ? >VAL^A 169 114.34 87.93 44.30 112.54 88.23 43.07 113.44 88.08 43.69 3 0 1000.00 -999 ? >ILE^A 170 117.96 84.84 43.58 119.27 85.29 44.15 118.61 85.06 43.86 3 0 1000.00 -999 ? >VAL^A 171 117.32 85.95 38.96 116.33 87.88 38.54 116.82 86.91 38.75 3 0 1000.00 -999 ? >PRO^A 172 118.27 83.04 35.86 119.26 84.88 36.73 118.76 83.96 36.29 3 0 1000.00 -999 ? >THR.A 173 121.88 86.99 33.99 124.00 86.67 34.23 122.94 86.83 34.11 2 0 1000.00 -999 ? >GLU.A 174 117.97 88.19 31.48 116.92 86.40 30.99 117.45 87.30 31.23 2 0 1000.00 -999 ? >ASN.A 175 121.77 86.74 26.03 122.32 84.80 26.72 122.04 85.77 26.37 2 0 1000.00 -999 ? >LEU~A 177 120.22 95.62 27.29 120.85 97.39 28.39 120.53 96.50 27.84 3 0 1000.00 -999 ? >ASN~A 178 115.06 94.47 26.15 113.34 95.70 25.89 114.20 95.09 26.02 2 0 1000.00 -999 ? >PRO~A 179 115.69 90.58 28.94 115.00 92.60 29.58 115.35 91.59 29.26 3 0 1000.00 -999 ? >PHE~A 180 118.22 92.72 34.11 118.69 90.29 35.43 118.46 91.51 34.77 3 0 1000.00 -999 ? >LEU~A 181 116.76 97.97 29.83 117.33 100.01 29.18 117.04 98.99 29.50 3 0 1000.00 -999 ? >LYS~A 182 112.39 97.50 30.92 110.25 92.39 30.33 111.32 94.94 30.63 2 0 1000.00 -999 ? >PHE~A 183 112.14 95.07 36.71 111.04 94.69 39.24 111.60 94.88 37.97 3 0 1000.00 -999 ? >PHE~A 184 116.46 100.86 35.72 117.70 103.04 36.95 117.08 101.95 36.34 3 0 1000.00 -999 ? >LYS~A 185 112.29 101.95 33.58 111.50 103.92 27.58 111.90 102.93 30.58 2 0 1000.00 -999 ? >GLN~A 186 108.02 99.49 32.65 106.85 101.18 32.07 107.43 100.33 32.36 2 0 1000.00 -999 ? >TYR~A 187 107.90 97.57 37.66 105.59 96.88 36.25 106.75 97.22 36.95 3 0 1000.00 -999 ? >SER~A 188 112.89 100.43 39.83 114.12 102.31 38.81 113.51 101.37 39.32 2 0 1000.00 -999 ? >GLU~A 189 111.90 105.61 40.71 111.10 107.26 39.66 111.50 106.43 40.19 2 0 1000.00 -999 ? >ASP~A 190 107.41 100.51 42.13 106.15 101.85 41.07 106.78 101.18 41.60 2 0 1000.00 -999 ? >ALA~A 191 110.97 98.54 44.04 111.92 97.81 43.09 111.44 98.18 43.56 2 0 1000.00 -999 ? >LYS~A 192 113.14 101.11 45.92 116.86 104.07 41.71 115.00 102.59 43.81 2 0 1000.00 -999 ? >ARG~A 193 107.68 105.54 46.99 108.00 105.86 43.94 107.84 105.70 45.47 2 0 1000.00 -999 ? >ALA~A 194 108.95 99.14 48.74 108.20 98.19 47.83 108.58 98.67 48.28 2 0 1000.00 -999 ? >GLY~A 195 112.46 97.94 49.64 111.97 97.61 49.10 112.22 97.77 49.37 1 0 1000.00 -999 ? >LEU.A 196 111.42 94.89 46.00 110.96 93.07 44.82 111.19 93.98 45.41 3 0 1000.00 -999 ? >LYS^A 197 115.86 93.59 46.51 116.62 95.49 51.28 116.24 94.54 48.90 2 0 1000.00 -999 ? >ILE^A 198 116.01 92.28 41.94 114.97 92.07 40.87 115.49 92.17 41.41 3 0 1000.00 -999 ? >TRP^A 199 120.46 91.85 45.35 121.14 90.08 48.80 120.80 90.97 47.08 3 0 1000.00 -999 ? >VAL^A 200 121.62 88.66 39.71 121.41 89.86 37.86 121.51 89.26 38.78 3 0 1000.00 -999 ? >VAL^A 201 123.40 85.26 39.53 123.15 83.42 40.74 123.28 84.34 40.13 3 0 1000.00 -999 ? >ASN^A 202 127.15 85.09 36.37 127.85 84.71 34.36 127.50 84.90 35.36 2 0 1000.00 -999 ? >PRO.A 203 123.68 81.05 34.78 125.25 81.33 36.36 124.46 81.19 35.57 3 0 1000.00 -999 ? >ASP.A 204 128.62 81.01 32.94 126.93 80.77 31.65 127.77 80.89 32.30 2 0 1000.00 -999 ? >GLU.A 205 131.45 84.17 34.90 132.45 86.04 34.84 131.95 85.11 34.87 2 0 1000.00 -999 ? >LYS.A 206 129.00 81.25 39.72 130.06 75.12 40.18 129.53 78.19 39.95 2 0 1000.00 -999 ? >THR^A 207 128.82 84.85 40.90 130.21 85.74 39.47 129.52 85.30 40.19 2 0 1000.00 -999 ? >ILE^A 208 125.39 86.50 43.72 124.75 86.44 44.94 125.07 86.47 44.33 3 0 1000.00 -999 ? >PRO^A 210 124.65 94.51 44.40 123.57 93.02 43.06 124.11 93.77 43.73 3 0 1000.00 -999 ? >PHE^A 211 118.68 94.73 38.81 116.83 96.18 37.28 117.75 95.46 38.05 3 0 1000.00 -999 ? >ILE^A 212 116.83 96.66 42.65 115.65 97.44 42.24 116.24 97.05 42.45 3 0 1000.00 -999 ? >GLY.A 213 118.84 96.78 46.82 119.49 96.52 46.37 119.16 96.65 46.59 1 0 1000.00 -999 ? >TYR.A 214 123.27 97.28 48.29 124.59 98.08 45.99 123.93 97.68 47.14 3 0 1000.00 -999 ? >PRO.A 215 123.84 92.93 51.65 121.86 93.95 51.81 122.85 93.44 51.73 3 0 1000.00 -999 ? >LYS.A 216 121.93 95.70 55.74 116.30 96.48 54.94 119.12 96.09 55.34 2 0 1000.00 -999 ? >ASP~A 217 124.86 92.75 57.47 126.33 91.98 58.78 125.60 92.36 58.12 2 0 1000.00 -999 ? >PHE~A 218 130.04 96.07 57.47 131.06 95.81 60.06 130.55 95.94 58.77 3 0 1000.00 -999 ? >ARG~A 219 130.01 90.65 60.12 127.69 89.62 61.86 128.85 90.14 60.99 2 0 1000.00 -999 ? >LEU~A 220 126.14 90.22 53.51 124.87 88.72 54.42 125.51 89.47 53.96 3 0 1000.00 -999 ? >LEU~A 221 129.18 94.23 51.18 127.71 95.85 51.26 128.45 95.04 51.22 3 0 1000.00 -999 ? >LYS~A 222 132.06 90.58 50.50 134.16 87.20 54.74 133.11 88.89 52.62 2 0 1000.00 -999 ? >GLY~A 223 129.95 88.01 48.66 129.98 88.73 48.39 129.97 88.37 48.52 1 0 1000.00 -999 ? >PHE~A 224 127.04 91.49 46.21 124.47 91.52 47.38 125.76 91.50 46.79 3 0 1000.00 -999 ? >LYS.A 225 131.20 89.96 42.37 132.95 89.02 37.26 132.07 89.49 39.81 2 0 1000.00 -999 ? >ASN.A 226 131.19 94.15 40.15 131.97 96.09 39.58 131.58 95.12 39.86 2 0 1000.00 -999 ? >GLY.B 0 81.68 106.55 50.56 81.10 106.01 50.24 81.39 106.28 50.40 1 0 1000.00 -999 ? >MET?B 1 83.49 103.28 49.69 85.87 104.93 46.92 84.68 104.10 48.30 2 0 1000.00 -999 ? >ASP.B 2 86.32 99.30 50.18 86.99 99.37 48.17 86.66 99.34 49.17 2 0 1000.00 -999 ? >VAL.B 3 89.12 103.05 50.39 90.39 103.86 48.75 89.75 103.46 49.57 3 0 1000.00 -999 ? >GLU.B 4 86.65 107.72 51.61 87.13 107.21 49.60 86.89 107.46 50.61 2 0 1000.00 -999 ? >ILE.B 5 85.78 101.73 55.06 84.67 101.04 55.05 85.23 101.39 55.05 3 0 1000.00 -999 ? >VAL.B 6 90.34 101.65 55.22 91.49 100.26 53.93 90.92 100.96 54.57 3 0 1000.00 -999 ? >GLU.B 7 92.29 106.36 53.76 91.57 107.64 52.22 91.93 107.00 52.99 2 0 1000.00 -999 ? >GLU.B 8 86.83 106.41 59.62 87.57 108.37 60.05 87.20 107.39 59.83 2 0 1000.00 -999 ? >LEU.B 9 90.04 100.83 59.47 88.95 99.06 60.10 89.49 99.94 59.78 3 0 1000.00 -999 ? >SER.B 10 93.90 103.12 60.06 94.85 102.57 57.87 94.38 102.84 58.96 2 0 1000.00 -999 ? >LYS.B 11 93.03 106.18 62.07 89.12 110.28 62.62 91.08 108.23 62.35 2 0 1000.00 -999 ? >MET?B 12 91.24 104.01 64.68 87.17 102.58 64.29 89.20 103.30 64.49 2 0 1000.00 -999 ? >LEU.B 13 94.19 100.40 63.86 92.84 98.70 63.90 93.51 99.55 63.88 3 0 1000.00 -999 ? >ALA.B 14 96.91 104.23 65.13 96.64 105.74 65.21 96.77 104.98 65.17 2 0 1000.00 -999 ? >GLY.B 15 99.85 103.01 67.23 99.35 102.47 66.95 99.60 102.74 67.09 1 0 1000.00 -999 ? >ARG.B 16 95.76 99.00 69.32 95.23 96.02 69.31 95.50 97.51 69.31 2 0 1000.00 -999 ? >LYS.B 17 101.17 96.56 67.45 104.40 99.54 70.94 102.78 98.05 69.20 2 0 1000.00 -999 ? >ALA.B 18 98.69 93.68 67.11 99.00 92.72 68.28 98.85 93.20 67.70 2 0 1000.00 -999 ? >VAL.B 19 95.19 93.25 65.67 95.23 94.89 64.14 95.21 94.07 64.90 3 0 1000.00 -999 ? >THR~B 20 92.88 90.42 64.61 92.09 89.86 66.57 92.49 90.14 65.59 2 0 1000.00 -999 ? >GLU~B 21 89.48 88.80 59.73 89.52 87.11 58.50 89.50 87.96 59.11 2 0 1000.00 -999 ? >GLU~B 22 87.09 87.55 64.83 88.79 86.45 64.09 87.94 87.00 64.46 2 0 1000.00 -999 ? >GLU~B 23 89.61 95.17 66.54 91.40 95.81 67.40 90.51 95.49 66.97 2 0 1000.00 -999 ? >ILE~B 24 89.89 94.30 60.62 90.71 94.59 60.56 90.30 94.45 60.59 3 0 1000.00 -999 ? >ARG~B 25 85.04 89.66 59.50 85.60 88.58 56.67 85.32 89.12 58.08 2 0 1000.00 -999 ? >ARG~B 26 83.49 94.94 67.61 85.35 96.71 69.30 84.42 95.83 68.46 2 0 1000.00 -999 ? >LYS~B 27 85.32 98.24 63.22 89.40 98.91 67.89 87.36 98.58 65.55 2 0 1000.00 -999 ? >ALA~B 28 84.91 98.28 59.41 85.15 97.12 58.46 85.03 97.70 58.94 2 0 1000.00 -999 ? >ILE~B 29 80.35 97.19 60.74 79.57 96.10 60.83 79.96 96.65 60.78 3 0 1000.00 -999 ? >ARG~B 30 82.38 100.01 66.02 84.07 101.55 68.07 83.22 100.78 67.05 2 0 1000.00 -999 ? >CYH~B 31 83.64 103.18 60.04 86.22 102.83 60.95 84.93 103.01 60.49 2 0 1000.00 -999 ? >ALA~B 32 81.26 102.41 57.16 80.83 101.01 56.73 81.04 101.71 56.95 2 0 1000.00 -999 ? >LEU~B 33 77.90 103.63 60.51 76.00 104.34 61.34 76.95 103.99 60.92 3 0 1000.00 -999 ? >LYS~B 34 80.32 107.31 59.88 85.59 110.02 62.21 82.96 108.66 61.04 2 0 1000.00 -999 ? >ILE~B 35 82.26 106.81 55.54 83.42 106.43 55.10 82.84 106.62 55.32 3 0 1000.00 -999 ? >MET?B 36 77.95 106.37 54.55 78.88 102.61 52.78 78.42 104.49 53.66 2 0 1000.00 -999 ? >GLY~B 37 75.10 107.04 57.01 75.25 106.43 56.46 75.18 106.74 56.73 1 0 1000.00 -999 ? >ALA~B 38 71.84 105.61 55.64 70.50 106.36 55.59 71.17 105.99 55.62 2 0 1000.00 -999 ? >ARG~B 39 75.03 107.72 50.65 74.16 110.30 52.12 74.60 109.01 51.38 2 0 1000.00 -999 ? >LEU~B 40 75.12 101.74 55.93 76.62 100.63 56.97 75.87 101.18 56.45 3 0 1000.00 -999 ? >VAL~B 41 71.34 99.97 53.82 69.64 101.45 53.92 70.49 100.71 53.87 3 0 1000.00 -999 ? >GLY~B 42 72.47 99.25 50.22 73.01 99.20 50.80 72.74 99.23 50.51 1 0 1000.00 -999 ? >ILE~B 43 76.74 98.28 52.19 77.91 98.47 51.42 77.32 98.38 51.80 3 0 1000.00 -999 ? >ASP~B 44 76.32 92.94 49.95 77.78 93.32 48.45 77.05 93.13 49.20 2 0 1000.00 -999 ? >ALA~B 45 79.09 91.44 52.84 78.89 89.93 52.98 78.99 90.69 52.91 2 0 1000.00 -999 ? >LEU~B 47 81.36 96.76 51.08 81.83 98.92 51.05 81.59 97.84 51.07 3 0 1000.00 -999 ? >ILE~B 48 82.45 94.03 55.54 82.58 95.05 56.47 82.52 94.54 56.00 3 0 1000.00 -999 ? >GLU~B 49 84.99 89.19 53.15 83.37 87.86 52.90 84.18 88.53 53.03 2 0 1000.00 -999 ? >ASP~B 50 86.44 94.90 49.33 85.71 93.80 47.64 86.08 94.35 48.49 2 0 1000.00 -999 ? >VAL~B 51 87.96 96.13 53.44 86.86 97.70 54.59 87.41 96.91 54.02 3 0 1000.00 -999 ? >THR~B 52 89.47 93.09 55.26 87.96 91.57 55.69 88.72 92.33 55.47 2 0 1000.00 -999 ? >CYH~B 53 91.85 92.52 52.31 90.41 91.09 50.41 91.13 91.81 51.36 2 0 1000.00 -999 ? >SER.B 54 93.64 95.69 53.44 93.94 97.92 54.38 93.79 96.80 53.91 2 0 1000.00 -999 ? >LEU.B 55 93.75 93.28 57.45 94.62 92.10 59.06 94.18 92.69 58.25 3 0 1000.00 -999 ? >ILE.B 56 93.89 88.81 55.42 92.93 87.87 54.67 93.41 88.34 55.04 3 0 1000.00 -999 ? >LEU.B 65 95.46 97.84 57.51 93.42 98.26 58.19 94.44 98.05 57.85 3 0 1000.00 -999 ? >HIS.B 66 100.71 99.87 56.00 100.40 101.23 54.43 100.55 100.55 55.21 3 0 1000.00 -999 ? >PHE.B 67 98.05 95.79 61.42 97.82 97.84 63.31 97.94 96.82 62.37 3 0 1000.00 -999 ? >SER.B 68 101.10 92.37 57.08 102.81 93.91 56.30 101.96 93.14 56.69 2 0 1000.00 -999 ? >GLU^B 69 105.42 90.75 59.15 107.32 90.88 60.13 106.37 90.82 59.64 2 0 1000.00 -999 ? >LYS^B 70 101.21 87.13 61.20 97.69 84.78 56.53 99.45 85.95 58.87 2 0 1000.00 -999 ? >VAL^B 71 101.77 85.40 64.51 102.46 86.18 66.45 102.12 85.79 65.48 3 0 1000.00 -999 ? >LYS^B 72 99.63 82.42 65.52 96.10 79.01 63.24 97.86 80.72 64.38 2 0 1000.00 -999 ? >ILE^B 73 98.91 83.58 70.16 100.21 83.66 70.83 99.56 83.62 70.49 3 0 1000.00 -999 ? >GLY.B 74 96.87 79.23 69.97 97.00 79.66 69.28 96.93 79.44 69.63 1 0 1000.00 -999 ? >ASP.B 75 92.37 79.18 68.56 91.00 78.04 67.49 91.69 78.61 68.03 2 0 1000.00 -999 ? >VAL^B 76 94.09 83.08 67.26 93.11 84.49 68.67 93.60 83.79 67.97 3 0 1000.00 -999 ? >LEU^B 77 95.53 84.48 62.87 96.84 84.32 61.16 96.18 84.40 62.01 3 0 1000.00 -999 ? >PHE^B 78 97.34 87.99 67.81 95.82 87.43 70.12 96.58 87.71 68.97 3 0 1000.00 -999 ? >TYR^B 79 96.89 89.97 60.83 95.57 88.02 59.33 96.23 88.99 60.08 3 0 1000.00 -999 ? >HIS^B 80 103.26 91.65 64.05 104.89 90.46 63.48 104.08 91.06 63.76 3 0 1000.00 -999 ? >PRO.B 81 102.31 97.20 62.87 102.83 95.33 61.76 102.57 96.26 62.31 3 0 1000.00 -999 ? >HIS.B 82 107.95 94.59 57.37 109.77 93.86 56.61 108.86 94.23 56.99 3 0 1000.00 -999 ? >VAL.B 83 109.39 95.04 61.73 110.74 96.04 60.22 110.06 95.54 60.97 3 0 1000.00 -999 ? >ILE.B 84 105.86 96.81 64.70 105.77 98.08 65.70 105.82 97.45 65.20 3 0 1000.00 -999 ? >PRO.B 86 103.47 91.52 68.00 104.78 93.03 69.07 104.12 92.28 68.54 3 0 1000.00 -999 ? >GLU~B 87 106.86 94.18 73.68 108.31 92.65 73.77 107.58 93.42 73.72 2 0 1000.00 -999 ? >LYS~B 88 102.65 91.02 76.04 101.10 87.92 80.40 101.88 89.47 78.22 2 0 1000.00 -999 ? >GLU~B 89 102.40 96.12 76.34 104.27 95.48 77.17 103.34 95.80 76.75 2 0 1000.00 -999 ? >ASP~B 90 101.02 94.78 71.67 102.43 96.28 72.24 101.72 95.53 71.96 2 0 1000.00 -999 ? >PHE~B 91 100.45 89.33 71.73 102.23 88.57 69.68 101.34 88.95 70.71 3 0 1000.00 -999 ? >GLU~B 92 97.58 91.00 77.88 98.73 91.66 79.54 98.16 91.33 78.71 2 0 1000.00 -999 ? >GLN~B 93 94.55 97.04 73.07 95.28 99.02 72.78 94.92 98.03 72.92 2 0 1000.00 -999 ? >ALA~B 94 94.34 92.73 70.76 95.44 92.29 69.80 94.89 92.51 70.28 2 0 1000.00 -999 ? >TYR~B 95 93.04 87.55 73.93 91.82 85.09 74.43 92.43 86.32 74.18 3 0 1000.00 -999 ? >PHE~B 96 89.65 93.79 75.94 87.44 95.21 76.89 88.55 94.50 76.42 3 0 1000.00 -999 ? >GLU~B 97 90.60 95.61 70.75 88.96 96.96 70.60 89.78 96.29 70.68 2 0 1000.00 -999 ? >TYR~B 98 90.01 87.57 69.23 89.27 84.99 68.53 89.64 86.28 68.88 3 0 1000.00 -999 ? >LYS~B 99 86.86 88.54 72.31 87.67 83.71 75.06 87.26 86.13 73.68 2 0 1000.00 -999 ? >GLN~B 100 85.21 93.43 73.70 85.31 95.54 73.89 85.26 94.48 73.79 2 0 1000.00 -999 ? >SER~B 101 84.46 91.46 68.29 86.29 92.95 67.83 85.38 92.20 68.06 2 0 1000.00 -999 ? >LYS~B 102 83.94 87.68 68.11 84.23 82.64 67.72 84.08 85.16 67.92 2 0 1000.00 -999 ? >LYS~B 103 81.03 88.04 70.54 77.58 89.96 74.00 79.30 89.00 72.27 2 0 1000.00 -999 ? >PHE~B 104 79.18 92.83 66.89 77.93 94.00 64.66 78.55 93.41 65.77 3 0 1000.00 -999 ? >LEU~B 105 81.40 88.67 64.47 82.61 90.08 63.31 82.01 89.38 63.89 3 0 1000.00 -999 ? >ASP~B 106 79.55 84.57 67.60 81.52 83.89 67.07 80.53 84.23 67.34 2 0 1000.00 -999 ? >ALA~B 107 75.61 87.16 67.55 75.54 88.00 68.83 75.58 87.58 68.19 2 0 1000.00 -999 ? >PHE~B 108 75.76 90.60 62.31 75.05 92.36 60.25 75.41 91.48 61.28 3 0 1000.00 -999 ? >ASP~B 109 73.49 85.35 61.84 74.64 85.52 60.06 74.06 85.43 60.95 2 0 1000.00 -999 ? >ILE~B 110 71.19 85.24 66.71 71.36 84.29 67.61 71.28 84.77 67.16 3 0 1000.00 -999 ? >MET?B 111 70.16 89.61 66.05 73.14 92.06 67.73 71.65 90.83 66.89 2 0 1000.00 -999 ? >ARG~B 112 71.85 91.33 59.91 71.23 89.62 57.44 71.54 90.48 58.68 2 0 1000.00 -999 ? >GLU~B 113 66.31 84.61 62.66 66.20 83.06 64.09 66.25 83.83 63.38 2 0 1000.00 -999 ? >VAL~B 114 65.23 88.26 65.94 65.73 87.94 68.06 65.48 88.10 67.00 3 0 1000.00 -999 ? >THR~B 115 64.82 91.74 64.44 66.23 93.39 64.51 65.53 92.56 64.47 2 0 1000.00 -999 ? >ASP~B 116 63.79 89.30 60.37 65.30 90.04 59.09 64.54 89.67 59.73 2 0 1000.00 -999 ? >PHE~B 118 60.40 93.65 66.90 59.29 95.94 68.08 59.84 94.80 67.49 3 0 1000.00 -999 ? >PHE~B 119 60.68 95.48 62.34 61.20 97.87 63.66 60.94 96.68 63.00 3 0 1000.00 -999 ? >GLU.B 120 56.17 88.79 61.89 55.58 86.76 61.66 55.87 87.78 61.77 2 0 1000.00 -999 ? >GLY.B 121 55.53 91.60 58.19 55.35 92.32 58.53 55.44 91.96 58.36 1 0 1000.00 -999 ? >TYR.B 122 57.65 96.25 58.90 56.27 97.78 60.78 56.96 97.01 59.84 3 0 1000.00 -999 ? >ALA^B 124 63.20 94.11 54.83 63.56 93.08 55.90 63.38 93.60 55.36 2 0 1000.00 -999 ? >GLU^B 125 66.81 97.19 51.15 66.16 98.92 50.09 66.48 98.06 50.62 2 0 1000.00 -999 ? >GLY.B 126 69.95 95.70 54.03 69.62 94.99 54.19 69.78 95.34 54.11 1 0 1000.00 -999 ? >ARG.B 127 75.46 91.31 55.30 76.93 89.41 57.22 76.20 90.36 56.26 2 0 1000.00 -999 ? >TYR.B 128 76.85 95.58 57.56 78.39 93.51 56.52 77.62 94.54 57.04 3 0 1000.00 -999 ? >MET?B 129 71.76 98.67 58.38 70.98 102.89 58.48 71.37 100.78 58.43 2 0 1000.00 -999 ? >ARG.B 130 66.94 93.99 57.49 67.12 91.43 55.79 67.03 92.71 56.64 2 0 1000.00 -999 ? >LYS.B 131 65.40 99.13 56.55 63.80 103.52 52.37 64.60 101.33 54.46 2 0 1000.00 -999 ? >TYR.B 132 62.75 96.35 59.36 64.63 94.44 60.13 63.69 95.39 59.74 3 0 1000.00 -999 ? >THR.B 133 58.87 99.28 55.71 58.84 100.01 53.64 58.85 99.64 54.67 2 0 1000.00 -999 ? >LYS.B 134 55.15 98.46 56.14 51.74 94.32 57.86 53.45 96.39 57.00 2 0 1000.00 -999 ? >ASP.B 135 51.46 101.23 55.53 50.50 99.35 55.64 50.98 100.29 55.58 2 0 1000.00 -999 ? >GLY.B 136 55.25 103.87 53.74 55.23 103.47 54.47 55.24 103.67 54.10 1 0 1000.00 -999 ? >ASN^B 138 61.03 103.92 56.97 60.54 103.88 54.90 60.78 103.90 55.93 2 0 1000.00 -999 ? >TYR^B 139 60.51 101.15 62.43 58.23 101.90 63.88 59.37 101.53 63.15 3 0 1000.00 -999 ? >TYR^B 140 66.32 103.55 58.48 65.42 104.54 56.03 65.87 104.05 57.25 3 0 1000.00 -999 ? >ALA^B 141 68.02 99.23 62.42 67.40 97.86 62.62 67.71 98.54 62.52 2 0 1000.00 -999 ? >PHE^B 142 74.07 100.63 62.84 76.85 100.32 62.60 75.46 100.48 62.72 3 0 1000.00 -999 ? >PHE^B 143 72.04 94.69 63.45 69.50 94.12 62.37 70.77 94.40 62.91 3 0 1000.00 -999 ? >SER.B 144 76.24 97.22 67.08 77.59 99.21 67.56 76.91 98.21 67.32 2 0 1000.00 -999 ? >THR~B 145 77.19 96.64 70.73 79.24 95.87 70.60 78.22 96.25 70.66 2 0 1000.00 -999 ? >ILE~B 146 75.67 98.63 74.92 75.31 99.26 75.25 75.49 98.94 75.08 3 0 1000.00 -999 ? >ASP~B 147 81.30 98.75 74.53 81.26 98.14 76.59 81.28 98.44 75.56 2 0 1000.00 -999 ? >ASP~B 148 80.31 99.82 69.28 81.83 98.37 69.14 81.07 99.09 69.21 2 0 1000.00 -999 ? >THR~B 149 77.26 102.77 70.69 75.18 102.13 70.50 76.22 102.45 70.60 2 0 1000.00 -999 ? >PHE~B 150 79.72 104.97 76.02 80.50 106.75 78.03 80.11 105.86 77.02 3 0 1000.00 -999 ? >GLU~B 151 83.72 104.03 72.34 85.19 102.64 71.72 84.45 103.33 72.03 2 0 1000.00 -999 ? >ASP~B 152 79.49 105.12 67.48 81.17 103.92 67.01 80.33 104.52 67.25 2 0 1000.00 -999 ? >VAL~B 153 77.05 108.14 70.23 76.72 109.08 72.22 76.89 108.61 71.23 3 0 1000.00 -999 ? >ASP~B 154 78.46 112.31 68.13 78.88 113.27 69.97 78.67 112.79 69.05 2 0 1000.00 -999 ? >ILE~B 155 77.80 108.32 64.47 78.80 107.72 63.64 78.30 108.02 64.06 3 0 1000.00 -999 ? >HIS~B 156 74.56 105.46 67.00 75.61 103.75 66.40 75.08 104.60 66.70 3 0 1000.00 -999 ? >LEU~B 157 72.80 111.94 68.60 72.56 111.73 70.76 72.68 111.84 69.68 3 0 1000.00 -999 ? >ARG~B 158 76.36 113.93 64.23 78.99 113.04 62.92 77.67 113.49 63.58 2 0 1000.00 -999 ? >MET?B 159 71.39 109.45 62.33 72.92 107.57 59.96 72.15 108.51 61.15 2 0 1000.00 -999 ? >VAL~B 160 67.97 110.15 63.87 68.16 110.82 65.97 68.06 110.48 64.92 3 0 1000.00 -999 ? >ASP.B 161 67.76 114.62 62.13 66.11 115.45 63.20 66.94 115.03 62.66 2 0 1000.00 -999 ? >GLU.B 162 71.48 111.17 57.43 72.23 113.15 57.19 71.85 112.16 57.31 2 0 1000.00 -999 ? >VAL.B 163 66.47 109.10 58.22 66.68 107.04 59.10 66.57 108.07 58.66 3 0 1000.00 -999 ? >ASP.B 164 62.56 109.04 55.49 63.42 107.35 54.53 62.99 108.20 55.01 2 0 1000.00 -999 ? >GLY.B 165 61.42 107.07 59.88 62.10 107.54 60.13 61.76 107.30 60.01 1 0 1000.00 -999 ? >ASP^B 166 61.62 104.96 64.20 60.02 106.13 65.06 60.82 105.55 64.63 2 0 1000.00 -999 ? >TYR^B 167 68.78 105.54 63.71 71.41 104.60 63.86 70.09 105.07 63.78 3 0 1000.00 -999 ? >VAL^B 168 67.12 102.13 66.24 65.86 100.29 66.41 66.49 101.21 66.33 3 0 1000.00 -999 ? >VAL^B 169 70.43 100.64 67.39 72.38 101.66 67.72 71.40 101.15 67.56 3 0 1000.00 -999 ? >ILE^B 170 69.69 95.90 66.98 68.25 95.52 67.19 68.97 95.71 67.09 3 0 1000.00 -999 ? >VAL^B 171 72.73 95.57 70.57 73.01 97.39 71.75 72.87 96.48 71.16 3 0 1000.00 -999 ? >PRO^B 172 75.17 92.04 70.81 73.33 92.77 71.88 74.25 92.40 71.34 3 0 1000.00 -999 ? >THR.B 173 72.96 91.43 76.00 71.62 89.74 76.31 72.29 90.58 76.15 2 0 1000.00 -999 ? >GLU.B 174 76.90 94.02 77.09 78.35 93.26 75.71 77.62 93.64 76.40 2 0 1000.00 -999 ? >ASN.B 175 78.48 88.65 80.85 77.77 86.83 80.00 78.12 87.74 80.43 2 0 1000.00 -999 ? >LEU~B 177 75.69 95.81 85.58 74.37 97.22 86.57 75.03 96.51 86.07 3 0 1000.00 -999 ? >ASN~B 178 80.04 98.36 84.12 81.23 100.04 83.56 80.63 99.20 83.84 2 0 1000.00 -999 ? >PRO~B 179 79.33 96.52 79.67 78.51 98.45 80.48 78.92 97.48 80.07 3 0 1000.00 -999 ? >PHE~B 180 73.35 97.63 78.74 73.02 96.05 76.45 73.18 96.84 77.60 3 0 1000.00 -999 ? >LEU~B 181 75.29 100.85 84.54 74.46 101.58 86.47 74.87 101.22 85.51 3 0 1000.00 -999 ? >LYS~B 182 77.58 103.84 81.95 81.31 102.07 77.92 79.44 102.96 79.93 2 0 1000.00 -999 ? >PHE~B 183 74.57 104.29 76.48 73.52 105.68 74.28 74.04 104.99 75.38 3 0 1000.00 -999 ? >PHE~B 184 70.44 104.65 82.43 68.06 105.61 83.54 69.25 105.13 82.99 3 0 1000.00 -999 ? >LYS~B 185 74.22 107.61 83.16 79.00 108.95 87.21 76.61 108.28 85.19 2 0 1000.00 -999 ? >GLN~B 186 78.57 108.94 80.38 78.89 110.89 81.20 78.73 109.92 80.79 2 0 1000.00 -999 ? >TYR~B 187 75.86 109.18 76.13 78.54 109.90 75.85 77.20 109.54 75.99 3 0 1000.00 -999 ? >SER~B 188 70.12 108.26 78.19 69.61 107.95 80.55 69.86 108.10 79.37 2 0 1000.00 -999 ? >ASP~B 190 71.98 112.78 74.83 73.20 114.07 75.98 72.59 113.43 75.41 2 0 1000.00 -999 ? >ALA~B 191 69.14 109.73 73.51 69.51 108.32 73.98 69.33 109.02 73.75 2 0 1000.00 -999 ? >LYS~B 192 65.59 110.34 74.80 65.02 106.94 80.14 65.31 108.64 77.47 2 0 1000.00 -999 ? >ARG~B 193 67.11 117.54 74.93 69.21 116.73 77.04 68.16 117.14 75.98 2 0 1000.00 -999 ? >ALA~B 194 66.93 113.14 70.25 68.39 112.81 69.90 67.66 112.97 70.07 2 0 1000.00 -999 ? >GLY~B 195 64.52 110.19 69.90 65.35 110.15 69.89 64.94 110.17 69.89 1 0 1000.00 -999 ? >LEU.B 196 68.78 107.89 70.03 70.49 106.72 69.36 69.63 107.30 69.70 3 0 1000.00 -999 ? >LYS^B 197 66.18 104.03 70.18 61.63 105.97 68.97 63.91 105.00 69.57 2 0 1000.00 -999 ? >ILE^B 198 69.52 101.68 72.62 70.93 101.95 72.87 70.22 101.82 72.75 3 0 1000.00 -999 ? >TRP^B 199 64.52 99.49 71.44 62.30 99.06 68.22 63.41 99.28 69.83 3 0 1000.00 -999 ? >VAL^B 200 68.63 94.68 73.28 69.64 95.00 75.22 69.13 94.84 74.25 3 0 1000.00 -999 ? >VAL^B 201 68.68 91.16 71.78 68.54 90.52 69.66 68.61 90.84 70.72 3 0 1000.00 -999 ? >ASN^B 202 68.46 87.56 75.01 69.51 86.18 76.23 68.98 86.87 75.62 2 0 1000.00 -999 ? >PRO.B 203 73.08 86.67 72.11 70.87 86.28 71.80 71.97 86.47 71.95 3 0 1000.00 -999 ? >ASP.B 204 71.10 82.41 74.73 73.20 82.43 74.66 72.15 82.42 74.70 2 0 1000.00 -999 ? >GLU.B 205 66.97 83.54 76.72 66.27 84.65 78.41 66.62 84.09 77.57 2 0 1000.00 -999 ? >LYS.B 206 66.18 84.90 70.82 66.70 80.35 66.54 66.44 82.63 68.68 2 0 1000.00 -999 ? >THR^B 207 64.23 87.73 72.50 63.96 86.99 74.53 64.09 87.36 73.51 2 0 1000.00 -999 ? >ILE^B 208 64.05 92.02 70.51 63.68 92.87 69.45 63.87 92.45 69.98 3 0 1000.00 -999 ? >ASP^B 209 63.78 93.64 76.05 62.06 93.68 77.31 62.92 93.66 76.68 2 0 1000.00 -999 ? >PRO^B 210 61.38 98.07 75.06 63.47 97.31 74.66 62.43 97.69 74.86 3 0 1000.00 -999 ? >PHE^B 211 68.92 100.31 77.07 70.76 101.93 78.47 69.84 101.12 77.77 3 0 1000.00 -999 ? >ILE^B 212 66.96 104.17 75.28 67.84 105.22 75.68 67.40 104.69 75.48 3 0 1000.00 -999 ? >GLY.B 213 62.75 104.20 73.30 62.70 103.47 73.62 62.73 103.83 73.46 1 0 1000.00 -999 ? >TYR.B 214 58.46 102.02 74.29 58.68 100.44 76.58 58.57 101.23 75.43 3 0 1000.00 -999 ? >PRO.B 215 58.32 100.02 68.80 58.25 102.22 69.31 58.29 101.12 69.05 3 0 1000.00 -999 ? >LYS.B 216 54.87 104.68 68.21 57.63 109.49 66.25 56.25 107.08 67.23 2 0 1000.00 -999 ? >ASP~B 217 53.87 101.16 65.02 52.51 99.80 64.10 53.19 100.48 64.56 2 0 1000.00 -999 ? >PHE~B 218 49.22 100.40 69.21 46.87 100.07 67.70 48.04 100.23 68.46 3 0 1000.00 -999 ? >ARG~B 219 49.07 98.14 64.17 46.47 99.82 64.10 47.77 98.98 64.13 2 0 1000.00 -999 ? >LEU~B 220 55.99 96.92 66.81 56.61 97.26 64.77 56.30 97.09 65.79 3 0 1000.00 -999 ? >LEU~B 221 54.11 97.09 72.11 54.47 99.22 72.49 54.29 98.16 72.30 3 0 1000.00 -999 ? >LYS~B 222 53.76 92.58 71.53 49.75 90.99 66.89 51.76 91.78 69.21 2 0 1000.00 -999 ? >GLY~B 223 56.98 91.55 69.70 56.94 91.88 70.44 56.96 91.71 70.07 1 0 1000.00 -999 ? >PHE~B 224 59.56 95.00 72.69 60.63 97.16 71.27 60.09 96.08 71.98 3 0 1000.00 -999 ? >LYS.B 225 59.88 90.02 75.55 62.49 86.68 79.10 61.18 88.35 77.33 2 0 1000.00 -999 ?