REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-OCT-06 2IT3 COMPND UPF0130 PROTEIN PH1069; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 53953; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 CODON PLUS (DE3)-RIL; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR N.K.LOKANATH,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 5 8 HET MSE A 20 8 HET MSE A 61 8 HET MSE A 63 8 HET MSE A 153 8 HET MSE A 181 8 HET MSE B 5 8 HET MSE B 20 8 HET MSE B 61 8 HET MSE B 63 8 HET MSE B 153 8 HET MSE B 181 8 >TYR.A 4 17.08 3.72 44.13 15.40 5.88 43.54 16.24 4.80 43.83 3 0 1000.00 -999 ? >MET?A 5 18.41 4.60 48.44 22.20 4.32 50.16 20.30 4.46 49.30 2 0 1000.00 -999 ? >ARG.A 6 13.60 4.80 53.01 14.15 2.01 54.16 13.88 3.40 53.59 2 0 1000.00 -999 ? >PHE.A 7 19.99 9.73 50.19 22.29 8.77 48.93 21.14 9.25 49.56 3 0 1000.00 -999 ? >THR.A 8 17.57 9.58 46.42 18.89 8.49 45.10 18.23 9.04 45.76 2 0 1000.00 -999 ? >GLU.A 9 11.98 6.94 46.49 10.29 8.21 46.56 11.14 7.58 46.53 2 0 1000.00 -999 ? >ASN.A 10 13.31 11.71 50.04 12.40 13.33 51.05 12.86 12.52 50.54 2 0 1000.00 -999 ? >PHE.A 11 17.59 14.94 45.33 19.13 17.14 44.54 18.36 16.04 44.94 3 0 1000.00 -999 ? >GLU.A 12 11.56 15.93 42.56 11.02 17.89 43.09 11.29 16.91 42.83 2 0 1000.00 -999 ? >ARG.A 13 8.59 15.25 50.42 9.38 13.29 52.65 8.98 14.27 51.54 2 0 1000.00 -999 ? >ALA.A 14 13.95 17.71 49.70 15.12 16.80 50.04 14.53 17.26 49.87 2 0 1000.00 -999 ? >LYS.A 15 15.33 20.14 47.12 18.94 21.58 42.12 17.13 20.86 44.62 2 0 1000.00 -999 ? >LYS.A 16 11.93 21.78 46.76 8.78 20.80 43.38 10.35 21.29 45.07 2 0 1000.00 -999 ? >GLU.A 17 10.23 20.54 51.56 10.24 18.81 52.78 10.24 19.67 52.17 2 0 1000.00 -999 ? >ALA.A 18 15.32 23.48 50.77 16.54 22.63 50.42 15.93 23.06 50.60 2 0 1000.00 -999 ? >LEU.A 19 14.57 25.66 46.48 15.95 25.18 44.89 15.26 25.42 45.69 3 0 1000.00 -999 ? >MET?A 20 11.83 27.65 49.29 8.07 25.72 48.60 9.95 26.69 48.94 2 0 1000.00 -999 ? >SER.A 21 13.52 27.74 52.67 14.65 26.92 54.64 14.08 27.33 53.65 2 0 1000.00 -999 ? >LEU.A 22 17.32 28.98 49.90 19.28 29.70 49.30 18.30 29.34 49.60 3 0 1000.00 -999 ? >GLU.A 23 12.33 33.07 47.84 13.77 34.35 46.95 13.05 33.71 47.40 2 0 1000.00 -999 ? >ILE.A 24 11.91 32.08 53.62 10.67 31.72 54.37 11.29 31.90 53.99 3 0 1000.00 -999 ? >ALA.A 25 16.16 33.48 54.04 17.19 32.37 54.17 16.67 32.93 54.11 2 0 1000.00 -999 ? >LEU.A 26 17.30 35.18 49.62 18.91 34.13 48.65 18.10 34.65 49.13 3 0 1000.00 -999 ? >ARG.A 27 10.22 37.42 50.63 8.74 35.28 48.99 9.48 36.35 49.81 2 0 1000.00 -999 ? >LYS.A 28 14.94 38.46 54.92 13.59 37.33 58.84 14.27 37.89 56.88 2 0 1000.00 -999 ? >GLY.A 29 18.58 39.32 54.26 18.24 38.75 54.75 18.41 39.04 54.50 1 0 1000.00 -999 ? >GLU.A 30 17.46 36.88 57.85 16.63 36.51 59.77 17.05 36.70 58.81 2 0 1000.00 -999 ? >VAL.A 31 22.17 34.81 54.29 21.56 33.46 52.69 21.87 34.14 53.49 3 0 1000.00 -999 ? >ASP~A 32 26.98 34.88 54.96 26.73 34.42 57.03 26.85 34.65 55.99 2 0 1000.00 -999 ? >GLU~A 33 25.61 40.23 52.46 26.23 40.02 54.49 25.92 40.13 53.47 2 0 1000.00 -999 ? >ASP~A 34 30.99 36.45 51.39 31.88 38.28 51.97 31.44 37.37 51.68 2 0 1000.00 -999 ? >ILE~A 35 28.36 32.14 50.57 28.52 31.64 51.89 28.44 31.89 51.23 3 0 1000.00 -999 ? >ILE~A 36 24.19 35.49 47.91 22.95 36.25 48.25 23.57 35.88 48.08 3 0 1000.00 -999 ? >PRO~A 37 27.20 35.79 44.46 26.12 33.92 45.01 26.66 34.86 44.74 3 0 1000.00 -999 ? >LEU~A 38 29.07 30.34 46.35 30.48 28.70 46.46 29.77 29.52 46.40 3 0 1000.00 -999 ? >LEU~A 39 24.15 29.64 48.12 24.83 29.49 50.18 24.49 29.56 49.15 3 0 1000.00 -999 ? >LYS~A 40 22.66 29.91 43.90 20.19 35.72 43.98 21.43 32.82 43.94 2 0 1000.00 -999 ? >LYS~A 41 25.11 28.28 41.49 30.19 31.61 39.62 27.65 29.95 40.55 2 0 1000.00 -999 ? >ILE~A 42 25.56 24.91 45.03 26.42 24.29 46.04 25.99 24.60 45.54 3 0 1000.00 -999 ? >ASN~A 43 20.47 25.97 44.33 20.36 25.49 46.38 20.41 25.73 45.36 2 0 1000.00 -999 ? >SER~A 44 21.32 25.62 39.87 23.39 26.52 38.99 22.35 26.07 39.43 2 0 1000.00 -999 ? >ILE.A 45 24.18 21.75 40.05 25.60 21.33 39.80 24.89 21.54 39.93 3 0 1000.00 -999 ? >GLU.A 46 18.65 17.94 37.78 18.34 16.99 35.92 18.49 17.46 36.85 2 0 1000.00 -999 ? >ASN.A 47 22.90 15.82 41.26 22.14 14.47 39.81 22.52 15.15 40.54 2 0 1000.00 -999 ? >TYR^A 48 24.99 19.01 44.10 27.04 17.25 43.38 26.01 18.13 43.74 3 0 1000.00 -999 ? >PHE^A 49 19.17 20.28 48.26 18.66 18.37 50.25 18.92 19.33 49.25 3 0 1000.00 -999 ? >THR^A 50 21.98 23.84 49.90 22.78 25.58 48.91 22.38 24.71 49.41 2 0 1000.00 -999 ? >THR^A 51 20.91 24.01 53.52 21.19 21.97 54.21 21.05 22.99 53.87 2 0 1000.00 -999 ? >SER^A 52 21.90 26.64 56.11 20.12 26.98 57.74 21.01 26.81 56.93 2 0 1000.00 -999 ? >SER^A 53 25.42 27.74 55.39 25.61 26.21 53.53 25.51 26.98 54.46 2 0 1000.00 -999 ? >CYH^A 54 27.74 30.60 56.35 28.57 29.40 58.71 28.15 30.00 57.53 2 0 1000.00 -999 ? >SER.A 55 30.93 32.44 55.47 30.57 34.86 55.60 30.75 33.65 55.54 2 0 1000.00 -999 ? >GLY.A 56 34.07 32.75 57.57 33.40 33.25 57.52 33.74 33.00 57.54 1 0 1000.00 -999 ? >ARG^A 57 30.96 33.38 62.97 31.38 30.86 64.66 31.17 32.12 63.81 2 0 1000.00 -999 ? >ILE^A 58 36.93 37.26 63.31 38.29 37.77 63.12 37.61 37.51 63.22 3 0 1000.00 -999 ? >SER^A 59 34.46 36.36 67.09 32.51 35.28 66.11 33.48 35.82 66.60 2 0 1000.00 -999 ? >VAL^A 60 35.07 37.10 70.75 36.17 38.89 71.34 35.62 37.99 71.04 3 0 1000.00 -999 ? >MET?A 61 33.02 35.13 73.28 33.22 31.41 73.40 33.12 33.27 73.34 2 0 1000.00 -999 ? >GLU^A 62 31.51 35.88 77.97 31.30 37.28 79.54 31.40 36.58 78.76 2 0 1000.00 -999 ? >MET?A 63 32.19 30.64 78.29 31.80 27.30 75.67 31.99 28.97 76.98 2 0 1000.00 -999 ? >PRO^A 64 31.73 28.29 82.39 31.53 29.39 80.47 31.63 28.84 81.43 3 0 1000.00 -999 ? >HIS^A 65 27.46 34.63 80.13 26.74 36.51 80.72 27.10 35.57 80.43 3 0 1000.00 -999 ? >PHE^A 66 27.77 33.50 86.57 26.60 32.95 89.03 27.18 33.22 87.80 3 0 1000.00 -999 ? >GLY^A 67 24.31 35.74 83.37 24.08 34.95 83.23 24.19 35.35 83.30 1 0 1000.00 -999 ? >ASP^A 68 20.81 35.86 80.07 18.74 36.27 79.98 19.78 36.07 80.03 2 0 1000.00 -999 ? >LYS^A 69 21.54 31.41 82.00 23.07 29.98 86.00 22.30 30.70 84.00 2 0 1000.00 -999 ? >VAL^A 70 23.43 30.95 78.74 22.73 32.07 77.02 23.08 31.51 77.88 3 0 1000.00 -999 ? >ASN^A 71 26.51 27.40 77.68 28.22 26.38 78.42 27.36 26.89 78.05 2 0 1000.00 -999 ? >ALA^A 72 28.03 31.01 75.48 28.40 30.28 74.21 28.21 30.65 74.84 2 0 1000.00 -999 ? >LYS^A 73 27.82 34.76 75.11 27.49 40.08 78.54 27.65 37.42 76.83 2 0 1000.00 -999 ? >TRP^A 74 30.59 35.17 69.10 29.51 31.56 70.21 30.05 33.36 69.65 3 0 1000.00 -999 ? >LEU^A 75 32.18 39.98 73.73 32.11 39.33 75.79 32.15 39.65 74.76 3 0 1000.00 -999 ? >GLY^A 76 31.62 40.48 69.11 31.52 39.65 69.20 31.57 40.07 69.16 1 0 1000.00 -999 ? >LYS^A 77 31.09 38.88 65.69 28.17 34.15 64.60 29.63 36.52 65.14 2 0 1000.00 -999 ? >TRP^A 78 33.43 42.83 63.66 34.89 41.44 67.03 34.16 42.14 65.34 3 0 1000.00 -999 ? >HIS^A 79 29.97 37.18 59.23 28.84 35.83 60.37 29.41 36.50 59.80 3 0 1000.00 -999 ? >ARG^A 80 33.94 43.82 58.01 32.95 44.61 60.81 33.44 44.22 59.41 2 0 1000.00 -999 ? >GLU^A 81 40.47 40.69 56.49 41.96 41.57 55.28 41.21 41.13 55.88 2 0 1000.00 -999 ? >VAL^A 82 38.78 42.97 61.72 38.47 41.33 63.12 38.62 42.15 62.42 3 0 1000.00 -999 ? >SER^A 83 40.51 46.02 63.15 39.21 47.88 64.02 39.86 46.95 63.59 2 0 1000.00 -999 ? >LEU^A 84 43.80 46.45 66.63 45.03 46.32 68.39 44.42 46.39 67.51 3 0 1000.00 -999 ? >TYR^A 85 41.72 50.42 67.93 44.40 51.08 67.59 43.06 50.75 67.76 3 0 1000.00 -999 ? >GLU^A 86 36.48 47.08 64.98 36.05 46.10 63.16 36.27 46.59 64.07 2 0 1000.00 -999 ? >VAL^A 87 38.30 43.49 69.06 39.50 41.82 68.29 38.90 42.66 68.68 3 0 1000.00 -999 ? >LEU^A 88 40.57 46.53 72.10 42.72 46.36 72.20 41.65 46.45 72.15 3 0 1000.00 -999 ? >GLU^A 89 34.90 49.02 72.12 36.41 50.17 73.03 35.65 49.60 72.57 2 0 1000.00 -999 ? >ALA^A 90 34.54 43.47 72.52 34.63 42.46 71.39 34.58 42.97 71.96 2 0 1000.00 -999 ? >ILE^A 91 38.60 42.12 74.77 39.87 41.44 74.64 39.24 41.78 74.71 3 0 1000.00 -999 ? >LYS^A 92 36.45 44.94 77.53 36.77 50.94 76.96 36.61 47.94 77.24 2 0 1000.00 -999 ? >LYS^A 93 32.94 43.55 77.86 29.96 43.73 72.80 31.45 43.64 75.33 2 0 1000.00 -999 ? >HIS^A 94 35.97 38.48 79.85 36.14 36.67 80.89 36.06 37.58 80.37 3 0 1000.00 -999 ? >ARG^A 95 32.10 42.31 83.22 33.28 45.11 82.88 32.69 43.71 83.05 2 0 1000.00 -999 ? >SER^A 96 32.84 35.72 83.57 30.49 35.13 83.43 31.66 35.42 83.50 2 0 1000.00 -999 ? >GLY^A 97 34.00 32.36 82.32 34.47 33.03 82.36 34.23 32.70 82.34 1 0 1000.00 -999 ? >GLN^A 98 36.87 29.36 80.33 37.13 27.40 79.56 37.00 28.38 79.95 2 0 1000.00 -999 ? >LEU^A 99 37.98 35.83 77.53 37.65 37.63 76.39 37.81 36.73 76.96 3 0 1000.00 -999 ? >TRP^A 100 36.65 30.65 75.37 39.55 28.04 74.79 38.10 29.34 75.08 3 0 1000.00 -999 ? >PHE^A 101 40.42 36.26 68.85 40.78 37.32 66.29 40.60 36.79 67.57 3 0 1000.00 -999 ? >LEU^A 102 36.38 31.82 67.78 35.69 30.71 69.50 36.03 31.26 68.64 3 0 1000.00 -999 ? >VAL^A 103 38.27 32.22 63.80 40.08 32.90 62.78 39.18 32.56 63.29 3 0 1000.00 -999 ? >ARG^A 104 34.77 28.13 64.40 36.25 28.03 67.09 35.51 28.08 65.75 2 0 1000.00 -999 ? >SER^A 105 36.08 28.73 58.47 36.42 27.02 56.76 36.25 27.88 57.61 2 0 1000.00 -999 ? >PRO^A 106 34.88 29.35 54.35 33.87 29.20 56.33 34.37 29.28 55.34 3 0 1000.00 -999 ? >ILE^A 107 30.34 25.83 57.54 30.39 24.97 58.73 30.37 25.40 58.14 3 0 1000.00 -999 ? >LEU^A 108 29.14 25.01 51.96 29.77 26.80 50.93 29.45 25.90 51.44 3 0 1000.00 -999 ? >HIS^A 109 25.75 22.30 56.26 26.80 22.61 58.05 26.28 22.46 57.16 3 0 1000.00 -999 ? >VAL^A 110 24.89 20.66 50.51 25.96 21.35 48.73 25.43 21.00 49.62 3 0 1000.00 -999 ? >GLY^A 111 22.29 18.01 49.90 22.83 18.36 49.30 22.56 18.19 49.60 1 0 1000.00 -999 ? >ALA^A 112 23.19 15.47 47.22 24.56 14.80 47.36 23.88 15.13 47.29 2 0 1000.00 -999 ? >LYS^A 113 20.95 13.29 45.06 19.38 11.94 39.13 20.16 12.61 42.09 2 0 1000.00 -999 ? >THR^A 114 23.20 10.21 45.09 23.24 9.86 42.95 23.22 10.04 44.02 2 0 1000.00 -999 ? >LEU^A 115 26.54 7.36 47.04 27.21 6.61 48.94 26.87 6.98 47.99 3 0 1000.00 -999 ? >GLU^A 116 28.58 8.99 40.93 27.62 8.52 39.10 28.10 8.75 40.02 2 0 1000.00 -999 ? >ASP^A 117 25.75 13.67 43.46 24.73 13.19 41.68 25.24 13.43 42.57 2 0 1000.00 -999 ? >ALA^A 118 28.25 13.46 47.09 27.70 12.60 48.23 27.98 13.03 47.66 2 0 1000.00 -999 ? >VAL^A 119 31.70 11.98 46.55 32.44 9.93 46.62 32.07 10.96 46.59 3 0 1000.00 -999 ? >LYS^A 120 32.41 14.21 43.55 30.35 11.69 38.11 31.38 12.95 40.83 2 0 1000.00 -999 ? >LEU^A 121 30.04 17.56 46.12 29.36 19.55 46.66 29.70 18.55 46.39 3 0 1000.00 -999 ? >VAL^A 122 33.74 16.28 48.34 33.63 14.92 50.04 33.68 15.60 49.19 3 0 1000.00 -999 ? >ASN^A 123 36.94 14.59 45.03 36.55 12.61 45.69 36.74 13.60 45.36 2 0 1000.00 -999 ? >LEU^A 124 34.91 19.32 43.52 34.79 21.08 42.25 34.85 20.20 42.88 3 0 1000.00 -999 ? >ALA^A 125 35.87 20.77 47.59 34.82 20.47 48.67 35.35 20.62 48.13 2 0 1000.00 -999 ? >VAL^A 126 39.04 19.19 48.98 39.64 17.30 49.91 39.34 18.25 49.44 3 0 1000.00 -999 ? >SER^A 127 41.03 20.06 45.86 39.62 20.09 43.90 40.33 20.07 44.88 2 0 1000.00 -999 ? >CYH^A 128 39.92 23.67 46.32 37.99 24.01 44.35 38.96 23.84 45.33 2 0 1000.00 -999 ? >GLY^A 129 41.65 23.78 49.71 40.91 23.38 49.68 41.28 23.58 49.70 1 0 1000.00 -999 ? >PHE^A 130 36.92 24.39 51.16 36.42 27.06 50.51 36.67 25.72 50.83 3 0 1000.00 -999 ? >LYS^A 131 40.34 19.66 53.42 43.99 17.92 50.45 42.17 18.79 51.93 2 0 1000.00 -999 ? >TYR^A 132 38.83 19.85 58.23 41.10 19.60 59.86 39.96 19.73 59.04 3 0 1000.00 -999 ? >SER^A 133 34.92 18.51 53.57 35.11 20.34 52.01 35.01 19.43 52.79 2 0 1000.00 -999 ? >ASN^A 134 33.54 14.74 55.35 32.81 15.91 56.99 33.18 15.33 56.17 2 0 1000.00 -999 ? >ILE^A 135 29.46 12.10 53.54 28.77 11.24 52.59 29.12 11.67 53.06 3 0 1000.00 -999 ? >LYS^A 136 28.11 14.69 57.43 27.16 18.17 61.47 27.64 16.43 59.45 2 0 1000.00 -999 ? >SER^A 137 24.98 12.59 57.55 23.45 14.49 57.69 24.21 13.54 57.62 2 0 1000.00 -999 ? >ILE^A 138 23.55 8.90 55.17 24.01 8.09 54.00 23.78 8.50 54.58 3 0 1000.00 -999 ? >SER^A 139 19.09 9.61 56.52 18.18 11.82 56.27 18.64 10.71 56.40 2 0 1000.00 -999 ? >ASN^A 140 15.04 7.32 55.26 13.65 8.51 56.33 14.35 7.91 55.80 2 0 1000.00 -999 ? >LYS^A 141 15.43 11.86 53.77 12.54 13.18 59.23 13.99 12.52 56.50 2 0 1000.00 -999 ? >LYS^A 142 18.72 13.44 52.67 18.60 18.73 56.15 18.66 16.08 54.41 2 0 1000.00 -999 ? >LEU^A 143 23.06 12.37 51.17 25.14 11.92 50.78 24.10 12.14 50.97 3 0 1000.00 -999 ? >ILE^A 144 23.95 16.89 54.94 23.19 18.07 54.52 23.57 17.48 54.73 3 0 1000.00 -999 ? >VAL^A 145 27.83 17.08 52.39 28.82 16.83 50.45 28.33 16.95 51.42 3 0 1000.00 -999 ? >GLU^A 146 30.26 20.40 56.89 30.33 19.99 58.98 30.29 20.19 57.94 2 0 1000.00 -999 ? >ILE^A 147 32.10 22.55 51.69 32.16 22.71 50.23 32.13 22.63 50.96 3 0 1000.00 -999 ? >ARG^A 148 34.45 23.17 59.36 36.50 21.63 61.05 35.47 22.40 60.20 2 0 1000.00 -999 ? >SER^A 149 38.47 24.54 55.44 40.21 25.93 54.54 39.34 25.24 54.99 2 0 1000.00 -999 ? >THR^A 150 41.24 24.17 58.04 42.61 22.97 56.90 41.92 23.57 57.47 2 0 1000.00 -999 ? >GLU^A 151 43.41 28.43 56.97 42.22 27.78 55.34 42.81 28.10 56.16 2 0 1000.00 -999 ? >ARG^A 152 38.52 24.97 64.62 37.04 23.51 66.87 37.78 24.24 65.74 2 0 1000.00 -999 ? >MET?A 153 41.61 29.42 65.58 44.04 32.71 64.40 42.82 31.07 64.99 2 0 1000.00 -999 ? >ASP^A 154 40.26 27.66 69.65 38.71 26.89 68.42 39.48 27.28 69.03 2 0 1000.00 -999 ? >VAL^A 155 42.65 31.60 71.32 44.07 33.00 70.45 43.36 32.30 70.89 3 0 1000.00 -999 ? >LEU^A 156 42.77 30.65 76.08 42.27 30.33 78.17 42.52 30.49 77.13 3 0 1000.00 -999 ? >LEU^A 157 42.10 36.45 75.24 42.64 36.82 73.20 42.37 36.63 74.22 3 0 1000.00 -999 ? >GLY^A 158 41.43 35.49 79.70 41.03 34.88 79.35 41.23 35.19 79.52 1 0 1000.00 -999 ? >GLU^A 159 38.73 31.89 83.53 39.46 30.31 84.72 39.10 31.10 84.13 2 0 1000.00 -999 ? >ASN^A 160 37.08 34.76 86.32 36.43 32.74 86.46 36.76 33.75 86.39 2 0 1000.00 -999 ? >GLY^A 161 37.10 39.02 83.86 37.72 38.53 83.80 37.41 38.78 83.83 1 0 1000.00 -999 ? >GLU^A 162 43.25 38.44 84.72 44.37 38.09 86.48 43.81 38.26 85.60 2 0 1000.00 -999 ? >ILE^A 163 42.26 41.02 79.69 41.20 40.62 78.85 41.73 40.82 79.27 3 0 1000.00 -999 ? >PHE^A 164 45.23 35.61 81.27 43.97 34.21 83.34 44.60 34.91 82.31 3 0 1000.00 -999 ? >VAL^A 165 47.02 39.75 77.20 46.19 38.50 75.64 46.61 39.13 76.42 3 0 1000.00 -999 ? >GLY^A 166 47.87 43.31 76.27 47.74 42.76 75.65 47.80 43.03 75.96 1 0 1000.00 -999 ? >GLU^A 167 46.39 47.60 72.15 46.21 49.70 72.39 46.30 48.65 72.27 2 0 1000.00 -999 ? >GLU^A 168 52.95 44.34 70.73 54.86 45.21 70.98 53.90 44.78 70.85 2 0 1000.00 -999 ? >TYR^A 169 49.54 38.58 72.96 48.97 35.83 72.72 49.26 37.21 72.84 3 0 1000.00 -999 ? >LEU^A 170 45.31 41.90 71.41 43.12 41.80 71.03 44.22 41.85 71.22 3 0 1000.00 -999 ? >ASN^A 171 48.57 44.15 67.71 48.96 44.94 65.79 48.77 44.55 66.75 2 0 1000.00 -999 ? >LYS^A 172 49.65 39.99 66.49 54.49 41.34 67.80 52.07 40.66 67.15 2 0 1000.00 -999 ? >ILE^A 173 45.84 37.51 68.26 46.07 36.13 68.45 45.95 36.82 68.36 3 0 1000.00 -999 ? >VAL^A 174 44.36 39.96 64.94 43.29 41.83 65.27 43.83 40.90 65.11 3 0 1000.00 -999 ? >GLU^A 175 48.69 41.79 62.44 50.75 42.03 62.85 49.72 41.91 62.65 2 0 1000.00 -999 ? >ILE^A 176 47.43 35.37 63.32 48.33 34.50 63.98 47.88 34.94 63.65 3 0 1000.00 -999 ? >ALA^A 177 43.18 35.90 62.14 42.23 36.45 63.21 42.71 36.17 62.67 2 0 1000.00 -999 ? >ASN^A 178 43.33 39.74 59.11 42.08 41.01 60.27 42.70 40.38 59.69 2 0 1000.00 -999 ? >ASP^A 179 46.90 35.77 57.85 48.36 37.29 57.81 47.63 36.53 57.83 2 0 1000.00 -999 ? >GLN^A 180 44.03 32.50 60.16 45.81 31.62 59.37 44.92 32.06 59.76 2 0 1000.00 -999 ? >MET?A 181 40.14 35.10 56.70 37.32 35.21 58.75 38.73 35.15 57.72 2 0 1000.00 -999 ? >ARG^A 182 43.87 39.54 53.31 45.88 39.64 55.61 44.88 39.59 54.46 2 0 1000.00 -999 ? >ARG^A 183 45.97 31.33 54.37 46.73 30.42 51.54 46.35 30.88 52.96 2 0 1000.00 -999 ? >PHE^A 184 38.49 31.38 55.78 39.11 30.34 58.29 38.80 30.86 57.03 3 0 1000.00 -999 ? >LYS^A 185 38.01 34.07 50.68 36.68 37.53 54.51 37.34 35.80 52.60 2 0 1000.00 -999 ? >GLU^A 186 42.71 32.45 49.43 44.70 33.12 49.73 43.70 32.79 49.58 2 0 1000.00 -999 ? >LYS^A 187 39.74 29.22 48.65 42.85 26.10 53.23 41.30 27.66 50.94 2 0 1000.00 -999 ? >LEU^A 188 35.41 31.12 49.40 33.84 30.54 50.78 34.62 30.83 50.09 3 0 1000.00 -999 ? >LYS^A 189 36.81 31.92 45.05 36.66 36.99 46.95 36.74 34.45 46.00 2 0 1000.00 -999 ? >ARG^A 190 42.13 28.54 45.08 43.71 26.30 46.45 42.92 27.42 45.76 2 0 1000.00 -999 ? >LEU^A 191 35.08 26.49 46.04 33.61 25.03 46.69 34.35 25.76 46.36 3 0 1000.00 -999 ? >GLU^A 192 31.32 30.76 43.00 30.88 32.80 43.32 31.10 31.78 43.16 2 0 1000.00 -999 ? >SER^A 193 35.02 28.99 39.66 37.41 28.81 40.09 36.22 28.90 39.87 2 0 1000.00 -999 ? >LYS^A 194 35.30 25.20 39.54 40.88 24.06 42.26 38.09 24.63 40.90 2 0 1000.00 -999 ? >ILE^A 195 30.91 25.38 41.61 30.35 24.96 42.02 30.63 25.17 41.81 3 0 1000.00 -999 ? >ASN^A 196 30.79 26.07 36.07 32.90 26.24 35.85 31.84 26.16 35.96 2 0 1000.00 -999 ? >ALA^A 197 32.12 21.84 35.76 33.63 21.62 35.83 32.88 21.73 35.80 2 0 1000.00 -999 ? >LEU^A 198 30.20 20.28 39.90 30.32 19.07 41.67 30.26 19.67 40.78 3 0 1000.00 -999 ? >ASN^A 199 26.67 21.55 35.80 24.55 21.79 35.83 25.61 21.67 35.82 2 0 1000.00 -999 ? >ARG^A 200 25.81 16.79 30.84 27.52 17.96 28.59 26.67 17.38 29.72 2 0 1000.00 -999 ? >MET?B 5 29.53 -2.69 46.87 27.20 -0.20 47.17 28.37 -1.44 47.02 2 0 1000.00 -999 ? >ARG^B 6 31.81 1.33 45.03 29.33 2.98 45.22 30.57 2.15 45.13 2 0 1000.00 -999 ? >PHE^B 7 32.71 0.35 50.36 30.08 0.89 51.09 31.39 0.62 50.73 3 0 1000.00 -999 ? >THR^B 8 31.80 -3.88 50.45 29.68 -3.93 50.83 30.74 -3.90 50.64 2 0 1000.00 -999 ? >GLU^B 9 34.02 -7.48 45.83 33.09 -9.37 45.53 33.55 -8.42 45.68 2 0 1000.00 -999 ? >ASN^B 10 37.39 -4.26 48.47 39.46 -4.09 48.90 38.42 -4.18 48.68 2 0 1000.00 -999 ? >PHE^B 11 34.63 -4.95 55.04 34.85 -4.66 57.81 34.74 -4.80 56.43 3 0 1000.00 -999 ? >GLU^B 12 37.17 -11.16 53.68 36.57 -12.86 52.57 36.87 -12.01 53.13 2 0 1000.00 -999 ? >ARG^B 13 42.82 -8.89 49.36 45.82 -9.22 49.96 44.32 -9.06 49.66 2 0 1000.00 -999 ? >ALA^B 14 40.86 -4.37 53.44 39.88 -3.27 53.07 40.37 -3.82 53.26 2 0 1000.00 -999 ? >LYS^B 15 40.32 -5.40 57.07 36.53 -6.69 61.94 38.42 -6.05 59.50 2 0 1000.00 -999 ? >LYS^B 16 43.08 -7.98 56.78 40.81 -13.30 54.19 41.95 -10.64 55.48 2 0 1000.00 -999 ? >GLU^B 17 44.96 -5.55 52.97 45.06 -4.65 51.05 45.01 -5.10 52.01 2 0 1000.00 -999 ? >ALA^B 18 44.53 -3.02 58.23 43.13 -2.47 58.41 43.83 -2.75 58.32 2 0 1000.00 -999 ? >LEU^B 19 44.13 -6.93 61.07 42.26 -7.16 62.13 43.20 -7.05 61.60 3 0 1000.00 -999 ? >MET?B 20 48.41 -6.40 59.64 48.94 -8.73 56.10 48.68 -7.57 57.87 2 0 1000.00 -999 ? >SER^B 21 49.41 -2.76 59.77 49.01 -1.82 57.59 49.21 -2.29 58.68 2 0 1000.00 -999 ? >LEU^B 22 46.43 -2.72 63.62 45.74 -2.16 65.61 46.09 -2.44 64.61 3 0 1000.00 -999 ? >GLU^B 23 50.67 -7.90 64.05 50.37 -9.79 63.17 50.52 -8.85 63.61 2 0 1000.00 -999 ? >ILE^B 24 53.47 -3.64 61.58 54.64 -4.48 61.26 54.05 -4.06 61.42 3 0 1000.00 -999 ? >ALA^B 25 52.40 -0.65 64.56 51.18 0.20 64.23 51.79 -0.22 64.40 2 0 1000.00 -999 ? >LEU^B 26 50.71 -3.39 68.18 48.65 -2.97 68.62 49.68 -3.18 68.40 3 0 1000.00 -999 ? >ARG^B 27 57.53 -5.81 65.77 60.07 -5.02 64.43 58.80 -5.41 65.10 2 0 1000.00 -999 ? >LYS^B 28 56.88 -1.13 67.01 58.11 0.21 61.36 57.49 -0.46 64.18 2 0 1000.00 -999 ? >GLY^B 29 55.08 0.80 69.75 55.08 0.99 68.93 55.08 0.90 69.34 1 0 1000.00 -999 ? >GLU^B 30 55.22 3.07 65.35 55.31 2.40 63.35 55.26 2.73 64.35 2 0 1000.00 -999 ? >VAL^B 31 50.10 3.48 68.61 48.46 2.25 67.89 49.28 2.86 68.25 3 0 1000.00 -999 ? >ASP^B 32 48.15 6.76 71.54 48.99 8.24 70.30 48.57 7.50 70.92 2 0 1000.00 -999 ? >GLU^B 33 50.31 3.62 76.16 51.74 2.88 77.49 51.02 3.25 76.83 2 0 1000.00 -999 ? >ASP^B 34 45.97 6.80 75.08 44.67 7.80 76.40 45.32 7.30 75.74 2 0 1000.00 -999 ? >ILE^B 35 42.91 4.95 71.81 43.41 5.33 71.21 43.16 5.14 71.51 3 0 1000.00 -999 ? >ILE^B 36 46.06 -0.12 72.88 47.35 -0.80 72.68 46.70 -0.46 72.78 3 0 1000.00 -999 ? >PRO^B 37 42.86 -0.73 76.04 42.42 -0.83 73.85 42.64 -0.78 74.94 3 0 1000.00 -999 ? >LEU^B 38 39.34 2.43 72.03 37.70 3.60 71.21 38.52 3.02 71.62 3 0 1000.00 -999 ? >LEU^B 39 42.57 0.35 68.39 43.16 2.27 67.62 42.86 1.31 68.00 3 0 1000.00 -999 ? >LYS^B 40 41.10 -3.66 69.58 46.29 -5.81 72.62 43.69 -4.74 71.10 2 0 1000.00 -999 ? >LYS^B 41 37.42 -3.43 70.55 34.11 -4.88 73.44 35.77 -4.15 72.00 2 0 1000.00 -999 ? >ILE^B 42 36.92 -0.45 66.67 36.71 0.91 66.16 36.82 0.23 66.41 3 0 1000.00 -999 ? >ASN^B 43 39.81 -4.54 65.26 40.79 -3.04 64.12 40.30 -3.79 64.69 2 0 1000.00 -999 ? >SER^B 44 36.49 -7.13 67.22 35.38 -6.30 69.21 35.94 -6.71 68.22 2 0 1000.00 -999 ? >ILE^B 45 32.62 -4.57 65.63 31.58 -4.83 66.57 32.10 -4.70 66.10 3 0 1000.00 -999 ? >GLU^B 46 31.57 -9.43 60.64 30.07 -10.93 60.52 30.82 -10.18 60.58 2 0 1000.00 -999 ? >ASN^B 47 30.40 -4.41 59.87 29.09 -5.99 59.29 29.75 -5.20 59.58 2 0 1000.00 -999 ? >TYR^B 48 32.70 -1.08 62.48 30.03 -0.18 62.58 31.37 -0.63 62.53 3 0 1000.00 -999 ? >PHE^B 49 38.91 -2.09 58.66 39.02 -0.73 56.21 38.96 -1.41 57.43 3 0 1000.00 -999 ? >THR^B 50 40.75 0.65 62.18 41.15 0.26 64.29 40.95 0.46 63.24 2 0 1000.00 -999 ? >THR^B 51 43.43 2.62 60.34 42.27 3.14 58.59 42.85 2.88 59.46 2 0 1000.00 -999 ? >SER^B 52 45.86 5.28 61.64 47.68 5.49 60.04 46.77 5.38 60.84 2 0 1000.00 -999 ? >SER^B 53 44.47 7.05 64.64 42.63 5.57 64.18 43.55 6.31 64.41 2 0 1000.00 -999 ? >CYH^B 54 45.49 9.17 67.75 45.21 11.81 66.76 45.35 10.49 67.26 2 0 1000.00 -999 ? >SER^B 55 44.10 9.81 71.25 45.78 9.27 72.95 44.94 9.54 72.10 2 0 1000.00 -999 ? >GLY^B 56 44.38 13.60 71.16 45.08 13.12 71.24 44.73 13.36 71.20 1 0 1000.00 -999 ? >ARG^B 57 49.42 15.53 68.54 48.81 17.94 66.74 49.12 16.74 67.64 2 0 1000.00 -999 ? >ILE^B 58 48.93 18.85 75.16 48.52 19.45 76.43 48.72 19.15 75.80 3 0 1000.00 -999 ? >SER^B 59 51.82 20.36 71.84 51.37 18.78 70.03 51.60 19.57 70.94 2 0 1000.00 -999 ? >VAL^B 60 54.36 23.15 72.23 55.35 23.99 73.99 54.85 23.57 73.11 3 0 1000.00 -999 ? >MET?B 61 55.84 23.71 68.81 53.04 21.61 66.25 54.44 22.66 67.53 2 0 1000.00 -999 ? >GLU^B 62 60.03 25.83 67.14 61.91 26.73 67.62 60.97 26.28 67.38 2 0 1000.00 -999 ? >MET?B 63 56.70 27.28 63.14 52.48 26.72 63.44 54.59 27.00 63.29 2 0 1000.00 -999 ? >PRO^B 64 58.29 28.49 59.35 57.26 29.49 61.03 57.78 28.99 60.19 3 0 1000.00 -999 ? >HIS^B 65 54.36 32.44 58.79 56.00 33.43 57.93 55.18 32.93 58.36 3 0 1000.00 -999 ? >PHE^B 66 48.10 29.77 63.26 45.88 28.29 64.09 46.99 29.03 63.68 3 0 1000.00 -999 ? >GLY^B 67 49.09 26.69 60.35 49.87 26.83 60.39 49.48 26.76 60.37 1 0 1000.00 -999 ? >ASP^B 68 53.59 27.01 58.72 55.07 26.58 57.31 54.33 26.80 58.01 2 0 1000.00 -999 ? >LYS^B 69 52.63 22.21 59.13 49.55 18.72 60.92 51.09 20.46 60.03 2 0 1000.00 -999 ? >VAL^B 70 55.37 21.68 56.53 55.51 21.94 54.37 55.44 21.81 55.45 3 0 1000.00 -999 ? >ASN^B 71 58.23 25.00 58.24 58.67 25.09 56.15 58.45 25.04 57.20 2 0 1000.00 -999 ? >ALA^B 72 56.37 23.15 62.23 54.90 22.89 62.58 55.64 23.02 62.41 2 0 1000.00 -999 ? >LYS^B 73 58.68 21.49 64.77 63.37 23.97 64.46 61.02 22.73 64.62 2 0 1000.00 -999 ? >TRP^B 74 54.77 18.64 68.32 54.43 16.62 64.96 54.60 17.63 66.64 3 0 1000.00 -999 ? >LEU^B 75 59.66 22.42 71.65 61.03 23.74 70.61 60.35 23.08 71.13 3 0 1000.00 -999 ? >GLY^B 76 57.06 19.07 73.44 56.74 19.22 72.65 56.90 19.14 73.05 1 0 1000.00 -999 ? >LYS^B 77 54.27 16.67 72.48 54.88 12.94 67.96 54.57 14.80 70.22 2 0 1000.00 -999 ? >TRP^B 78 54.29 15.29 77.36 54.66 19.13 76.55 54.48 17.21 76.96 3 0 1000.00 -999 ? >HIS^B 79 49.69 10.25 73.89 51.08 8.72 74.30 50.38 9.48 74.10 3 0 1000.00 -999 ? >ARG^B 80 51.00 11.52 80.11 53.21 13.63 80.46 52.10 12.58 80.28 2 0 1000.00 -999 ? >GLU^B 81 45.06 15.56 81.76 43.94 15.52 83.54 44.50 15.54 82.65 2 0 1000.00 -999 ? >VAL^B 82 50.58 17.56 81.25 50.80 18.54 79.31 50.69 18.05 80.28 3 0 1000.00 -999 ? >SER^B 83 52.28 19.32 84.11 54.57 18.53 84.21 53.43 18.93 84.16 2 0 1000.00 -999 ? >LEU^B 84 53.06 23.99 85.22 52.99 26.15 85.00 53.03 25.07 85.11 3 0 1000.00 -999 ? >TYR^B 85 58.76 20.33 85.54 61.47 19.66 85.37 60.12 20.00 85.46 3 0 1000.00 -999 ? >GLU^B 86 56.00 17.39 81.88 54.67 15.88 81.24 55.34 16.63 81.56 2 0 1000.00 -999 ? >VAL^B 87 55.42 22.55 79.32 53.44 23.33 78.99 54.43 22.94 79.16 3 0 1000.00 -999 ? >LEU^B 88 58.17 25.42 82.17 57.60 27.31 83.03 57.89 26.37 82.60 3 0 1000.00 -999 ? >GLU^B 89 61.34 21.16 81.81 63.27 21.93 82.30 62.30 21.54 82.06 2 0 1000.00 -999 ? >ALA^B 90 59.59 22.43 76.20 58.25 21.88 75.77 58.92 22.15 75.99 2 0 1000.00 -999 ? >ILE^B 91 58.36 27.05 77.06 57.35 28.08 77.35 57.85 27.56 77.21 3 0 1000.00 -999 ? >LYS^B 92 62.80 26.80 77.18 62.04 27.74 82.32 62.42 27.27 79.75 2 0 1000.00 -999 ? >LYS^B 93 63.94 25.09 73.98 63.65 18.92 75.46 63.79 22.01 74.72 2 0 1000.00 -999 ? >HIS^B 94 60.95 29.84 71.27 60.40 31.12 69.70 60.67 30.48 70.48 3 0 1000.00 -999 ? >ARG^B 95 67.70 28.43 70.60 67.87 26.94 73.27 67.79 27.68 71.94 2 0 1000.00 -999 ? >SER^B 96 63.33 30.77 66.29 64.42 29.13 64.91 63.87 29.95 65.60 2 0 1000.00 -999 ? >GLY^B 97 60.02 31.29 64.54 60.21 31.51 65.31 60.12 31.40 64.92 1 0 1000.00 -999 ? >GLN^B 98 55.43 32.99 64.72 53.53 33.47 63.91 54.48 33.23 64.31 2 0 1000.00 -999 ? >LEU^B 99 56.82 29.75 70.83 57.51 28.28 72.26 57.16 29.01 71.55 3 0 1000.00 -999 ? >TRP^B 100 52.81 29.13 66.58 49.52 31.26 66.89 51.17 30.19 66.74 3 0 1000.00 -999 ? >PHE^B 101 49.95 25.50 74.74 48.84 23.65 76.50 49.40 24.58 75.62 3 0 1000.00 -999 ? >LEU^B 102 48.70 23.11 69.39 49.23 24.30 67.67 48.96 23.71 68.53 3 0 1000.00 -999 ? >VAL^B 103 45.58 21.24 71.79 44.60 21.43 73.71 45.09 21.33 72.75 3 0 1000.00 -999 ? >ARG^B 104 44.62 20.57 66.58 45.51 23.52 66.52 45.07 22.04 66.55 2 0 1000.00 -999 ? >SER^B 105 41.33 16.34 69.58 39.51 16.22 67.98 40.42 16.28 68.78 2 0 1000.00 -999 ? >PRO^B 106 40.92 12.43 71.26 41.46 13.24 69.27 41.19 12.83 70.27 3 0 1000.00 -999 ? >ILE^B 107 42.06 12.09 64.44 42.04 13.04 63.23 42.05 12.56 63.83 3 0 1000.00 -999 ? >LEU^B 108 39.03 7.12 65.68 39.08 7.04 67.85 39.05 7.08 66.77 3 0 1000.00 -999 ? >HIS^B 109 41.10 8.12 59.92 41.55 10.09 59.36 41.32 9.11 59.64 3 0 1000.00 -999 ? >VAL^B 110 37.53 3.42 60.91 36.51 2.88 62.76 37.02 3.15 61.83 3 0 1000.00 -999 ? >GLY^B 111 36.68 1.42 57.83 36.33 1.30 58.63 36.50 1.36 58.23 1 0 1000.00 -999 ? >ALA^B 112 33.12 0.11 57.51 32.07 1.18 57.74 32.60 0.65 57.62 2 0 1000.00 -999 ? >LYS^B 113 31.59 -2.83 55.63 30.37 -7.74 56.52 30.98 -5.29 56.07 2 0 1000.00 -999 ? >THR^B 114 28.41 -1.15 54.44 26.94 -2.56 55.17 27.68 -1.85 54.81 2 0 1000.00 -999 ? >LEU^B 115 26.30 2.97 53.11 26.35 4.99 52.37 26.32 3.98 52.74 3 0 1000.00 -999 ? >GLU^B 116 22.76 0.07 58.03 21.79 -1.82 57.99 22.27 -0.87 58.01 2 0 1000.00 -999 ? >ASP^B 117 28.50 -0.64 59.18 27.71 -2.56 58.81 28.11 -1.60 58.99 2 0 1000.00 -999 ? >ALA^B 118 29.11 3.77 58.84 29.49 4.30 57.47 29.30 4.03 58.15 2 0 1000.00 -999 ? >VAL^B 119 25.99 5.76 59.75 24.16 6.37 58.72 25.08 6.06 59.24 3 0 1000.00 -999 ? >LYS^B 120 25.50 3.72 62.91 21.30 0.35 63.70 23.40 2.04 63.31 2 0 1000.00 -999 ? >LEU^B 121 30.35 3.88 63.33 32.24 3.87 64.37 31.30 3.88 63.85 3 0 1000.00 -999 ? >VAL^B 122 28.79 8.09 63.06 28.80 9.30 61.24 28.80 8.70 62.15 3 0 1000.00 -999 ? >ASN^B 123 24.23 7.86 64.75 23.35 8.60 62.96 23.79 8.23 63.86 2 0 1000.00 -999 ? >LEU^B 124 27.65 5.06 67.87 28.27 3.92 69.61 27.96 4.49 68.74 3 0 1000.00 -999 ? >ALA^B 125 30.24 8.65 67.99 31.25 8.74 66.84 30.74 8.69 67.41 2 0 1000.00 -999 ? >VAL^B 126 28.20 11.85 67.91 27.17 13.04 66.40 27.68 12.44 67.16 3 0 1000.00 -999 ? >SER^B 127 26.11 10.84 70.93 25.68 8.43 70.83 25.89 9.64 70.88 2 0 1000.00 -999 ? >CYH^B 128 29.38 9.99 72.66 29.57 7.23 72.63 29.47 8.61 72.64 2 0 1000.00 -999 ? >GLY^B 129 30.59 13.57 72.27 30.69 13.13 71.64 30.64 13.35 71.96 1 0 1000.00 -999 ? >PHE^B 130 34.10 11.55 69.43 35.92 10.50 71.29 35.01 11.02 70.36 3 0 1000.00 -999 ? >LYS^B 131 30.48 16.14 67.16 26.61 15.81 70.55 28.54 15.97 68.85 2 0 1000.00 -999 ? >TYR^B 132 33.97 18.51 64.16 33.77 21.31 64.09 33.87 19.91 64.13 3 0 1000.00 -999 ? >SER^B 133 32.30 12.57 63.27 32.56 11.39 65.34 32.43 11.98 64.31 2 0 1000.00 -999 ? >ASN^B 134 31.82 13.18 59.00 33.90 13.67 58.96 32.86 13.42 58.98 2 0 1000.00 -999 ? >ILE^B 135 31.14 9.24 55.57 30.40 8.11 54.98 30.77 8.67 55.28 3 0 1000.00 -999 ? >LYS^B 136 35.66 10.94 55.40 40.45 13.09 56.09 38.05 12.02 55.74 2 0 1000.00 -999 ? >SER^B 137 35.72 9.05 52.13 37.93 8.14 52.60 36.83 8.60 52.37 2 0 1000.00 -999 ? >ILE^B 138 32.54 6.68 49.67 31.15 6.35 49.92 31.85 6.52 49.79 3 0 1000.00 -999 ? >SER^B 139 36.06 4.80 47.24 38.17 4.03 48.19 37.11 4.42 47.72 2 0 1000.00 -999 ? >ASN^B 140 37.16 1.30 44.12 35.80 0.72 42.59 36.48 1.01 43.36 2 0 1000.00 -999 ? >LYS^B 141 38.71 0.01 48.14 42.85 1.84 48.63 40.78 0.93 48.38 2 0 1000.00 -999 ? >LYS^B 142 37.05 1.31 51.34 42.57 1.19 52.28 39.81 1.25 51.81 2 0 1000.00 -999 ? >LEU^B 143 33.13 3.08 53.29 31.47 4.03 54.31 32.30 3.56 53.80 3 0 1000.00 -999 ? >ILE^B 144 37.65 6.19 55.71 38.57 5.29 56.40 38.11 5.74 56.05 3 0 1000.00 -999 ? >VAL^B 145 34.53 7.06 59.00 32.75 6.37 60.08 33.64 6.72 59.54 3 0 1000.00 -999 ? >GLU^B 146 37.69 11.98 60.99 38.59 13.58 59.91 38.14 12.78 60.45 2 0 1000.00 -999 ? >ILE^B 147 35.41 9.08 65.48 34.63 8.13 66.21 35.02 8.61 65.85 3 0 1000.00 -999 ? >ARG^B 148 39.23 15.81 63.97 38.38 18.75 64.11 38.80 17.28 64.04 2 0 1000.00 -999 ? >SER^B 149 35.82 16.13 68.61 35.32 16.70 70.88 35.57 16.41 69.75 2 0 1000.00 -999 ? >THR^B 150 35.41 19.90 68.30 33.36 20.24 68.91 34.39 20.07 68.60 2 0 1000.00 -999 ? >GLU^B 151 36.68 21.22 73.60 34.64 21.22 73.02 35.66 21.22 73.31 2 0 1000.00 -999 ? >ARG^B 152 40.85 23.71 66.76 43.11 24.19 64.77 41.98 23.95 65.77 2 0 1000.00 -999 ? >MET?B 153 43.23 25.51 71.52 44.43 26.45 75.60 43.83 25.98 73.56 2 0 1000.00 -999 ? >ASP^B 154 45.39 28.14 68.39 44.63 26.52 67.27 45.01 27.33 67.83 2 0 1000.00 -999 ? >VAL^B 155 47.85 30.18 71.84 47.32 30.34 73.96 47.58 30.26 72.90 3 0 1000.00 -999 ? >LEU^B 156 50.74 33.52 69.85 52.20 34.54 68.61 51.47 34.03 69.23 3 0 1000.00 -999 ? >LEU^B 157 54.07 30.55 73.78 53.00 28.99 74.80 53.54 29.77 74.29 3 0 1000.00 -999 ? >GLY^B 158 56.30 33.95 71.84 56.00 33.45 71.24 56.15 33.70 71.54 1 0 1000.00 -999 ? >GLU^B 159 56.31 35.05 67.43 55.38 36.26 65.96 55.84 35.66 66.69 2 0 1000.00 -999 ? >ASN^B 160 62.35 35.68 66.85 61.60 35.47 64.86 61.98 35.58 65.85 2 0 1000.00 -999 ? >GLY^B 161 63.23 33.71 71.25 62.56 34.11 71.18 62.89 33.91 71.22 1 0 1000.00 -999 ? >GLU^B 162 60.21 38.60 73.55 59.54 40.42 72.68 59.88 39.51 73.12 2 0 1000.00 -999 ? >ILE^B 163 58.63 33.81 76.47 58.26 32.48 75.95 58.45 33.15 76.21 3 0 1000.00 -999 ? >PHE^B 164 54.71 37.16 73.07 55.86 37.71 70.58 55.29 37.43 71.83 3 0 1000.00 -999 ? >VAL^B 165 52.88 34.89 78.08 52.48 32.91 77.27 52.68 33.90 77.67 3 0 1000.00 -999 ? >GLY^B 166 53.17 35.51 81.79 52.81 34.80 81.44 52.99 35.16 81.61 1 0 1000.00 -999 ? >GLU^B 167 53.69 31.67 86.65 54.19 29.98 85.46 53.94 30.83 86.05 2 0 1000.00 -999 ? >GLU^B 168 47.21 34.68 86.25 46.31 36.54 86.72 46.76 35.61 86.49 2 0 1000.00 -999 ? >TYR^B 169 48.23 33.92 79.31 47.10 33.78 76.75 47.67 33.85 78.03 3 0 1000.00 -999 ? >LEU^B 170 52.01 29.91 81.42 53.25 28.40 80.30 52.63 29.15 80.86 3 0 1000.00 -999 ? >ASN^B 171 48.89 29.46 85.72 49.40 28.41 87.51 49.15 28.94 86.61 2 0 1000.00 -999 ? >LYS^B 172 45.50 28.87 82.99 41.63 29.27 86.44 43.56 29.07 84.72 2 0 1000.00 -999 ? >ILE^B 173 47.63 28.18 78.66 48.19 28.80 77.53 47.91 28.49 78.09 3 0 1000.00 -999 ? >VAL^B 174 47.72 24.43 81.02 49.64 23.85 81.84 48.68 24.15 81.43 3 0 1000.00 -999 ? >GLU^B 175 42.91 24.89 84.96 42.43 26.31 86.46 42.67 25.60 85.71 2 0 1000.00 -999 ? >ILE^B 176 42.11 25.85 79.62 40.74 26.21 79.90 41.43 26.03 79.76 3 0 1000.00 -999 ? >ALA^B 177 44.28 22.34 78.16 45.74 22.53 77.81 45.01 22.43 77.98 2 0 1000.00 -999 ? >ASN^B 178 44.88 19.58 82.09 47.00 19.34 81.95 45.94 19.46 82.02 2 0 1000.00 -999 ? >ASP^B 179 39.62 21.25 81.42 39.94 21.98 83.39 39.78 21.62 82.40 2 0 1000.00 -999 ? >GLN^B 180 40.02 21.84 76.32 40.70 23.08 74.71 40.36 22.46 75.52 2 0 1000.00 -999 ? >MET?B 181 42.37 16.47 77.36 44.65 14.31 75.96 43.51 15.39 76.66 2 0 1000.00 -999 ? >ARG^B 182 39.97 15.35 84.05 41.13 18.18 84.49 40.55 16.77 84.27 2 0 1000.00 -999 ? >ARG^B 183 35.36 18.75 78.08 32.72 19.61 76.76 34.04 19.18 77.42 2 0 1000.00 -999 ? >PHE^B 184 40.28 15.31 73.83 40.31 17.78 72.51 40.30 16.55 73.17 3 0 1000.00 -999 ? >LYS^B 185 39.89 10.59 77.36 44.66 10.62 75.28 42.28 10.61 76.32 2 0 1000.00 -999 ? >GLU^B 186 36.40 12.10 80.79 35.37 13.60 81.84 35.88 12.85 81.31 2 0 1000.00 -999 ? >LYS^B 187 34.64 10.61 75.43 32.45 15.61 74.47 33.55 13.11 74.95 2 0 1000.00 -999 ? >LEU^B 188 38.50 7.94 74.05 39.82 8.65 72.47 39.16 8.29 73.26 3 0 1000.00 -999 ? >LYS^B 189 36.07 5.65 77.08 37.36 1.30 79.99 36.71 3.48 78.53 2 0 1000.00 -999 ? >ARG^B 190 29.87 9.38 76.64 31.15 12.04 77.54 30.51 10.71 77.09 2 0 1000.00 -999 ? >LEU^B 191 33.53 6.01 71.94 33.30 5.66 69.81 33.42 5.84 70.88 3 0 1000.00 -999 ? >GLU^B 192 36.54 0.82 74.81 38.24 0.75 76.04 37.39 0.78 75.43 2 0 1000.00 -999 ? >SER^B 193 31.94 1.05 76.43 31.04 2.99 77.53 31.49 2.02 76.98 2 0 1000.00 -999 ? >LYS^B 194 29.20 1.70 73.87 26.41 5.86 75.63 27.81 3.78 74.75 2 0 1000.00 -999 ? >ILE^B 195 32.25 -0.80 71.13 32.52 -0.32 69.64 32.39 -0.56 70.38 3 0 1000.00 -999 ? >ASN^B 196 27.00 -3.35 72.76 27.64 -2.49 74.59 27.32 -2.92 73.67 2 0 1000.00 -999 ? >ALA^B 197 27.73 -6.36 69.39 27.52 -7.83 69.77 27.63 -7.09 69.58 2 0 1000.00 -999 ? >LEU^B 198 23.72 -6.75 67.52 24.03 -6.97 65.32 23.87 -6.86 66.42 3 0 1000.00 -999 ?