REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JAN-08 3C4R COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O6; SOURCE 3 ORGANISM_TAXID: 217992; SOURCE 4 STRAIN: O6:H1 / CFT073 / UPEC; SOURCE 5 ATCC: 700928; SOURCE 6 GENE: C1411; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PSGX3(BC) AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,S.OZYURT,J.LUZ,NEW YORK AUTHOR 2 SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 10 8 HET MSE A 12 8 HET MSE A 37 8 HET MSE A 84 8 HET MSE A 92 8 HET MSE B 10 8 HET MSE B 12 8 HET MSE B 37 8 HET MSE B 84 8 HET MSE B 92 8 HET MSE C 10 8 HET MSE C 12 8 HET MSE C 37 8 HET MSE C 84 8 HET MSE C 92 8 HET MSE C 128 8 HET MSE D 10 8 HET MSE D 12 8 HET MSE D 37 8 HET MSE D 84 8 HET MSE D 92 8 HET MSE D 128 8 >LYS.A 2 -1.17 69.29 17.28 -1.83 67.76 13.54 -1.50 68.53 15.41 2 0 1000.00 -999 ? >ILE.A 3 2.39 68.00 20.25 3.33 66.87 20.25 2.86 67.43 20.25 3 0 1000.00 -999 ? >LYS~A 4 -0.07 70.26 23.65 -6.14 69.61 25.47 -3.11 69.94 24.56 2 0 1000.00 -999 ? >HIS~A 5 3.96 73.95 26.60 5.85 74.61 27.23 4.91 74.28 26.92 3 0 1000.00 -999 ? >GLU~A 6 -0.84 69.74 28.48 -1.95 71.48 27.98 -1.40 70.61 28.23 2 0 1000.00 -999 ? >HIS~A 7 -0.01 66.10 26.23 -2.06 66.02 26.65 -1.04 66.06 26.44 3 0 1000.00 -999 ? >ILE~A 8 5.96 69.14 24.80 6.40 69.84 23.60 6.18 69.49 24.20 3 0 1000.00 -999 ? >ARG~A 9 5.83 70.95 32.34 3.38 72.70 31.70 4.60 71.82 32.02 2 0 1000.00 -999 ? >MET?A 10 5.76 65.17 30.45 1.62 64.32 30.73 3.69 64.74 30.59 2 0 1000.00 -999 ? >ALA~A 11 8.00 63.51 27.84 7.75 63.45 26.35 7.87 63.48 27.10 2 0 1000.00 -999 ? >MET?A 12 10.72 66.11 28.34 12.14 67.89 25.77 11.43 67.00 27.05 2 0 1000.00 -999 ? >ASN~A 13 9.73 65.84 33.15 9.41 67.95 33.42 9.57 66.90 33.28 2 0 1000.00 -999 ? >ALA~A 14 10.69 61.74 31.54 9.63 60.95 30.79 10.16 61.35 31.17 2 0 1000.00 -999 ? >TRP~A 15 15.85 61.76 27.14 15.88 64.10 23.97 15.86 62.93 25.56 3 0 1000.00 -999 ? >ALA~A 16 15.39 64.11 31.91 14.90 65.50 32.28 15.14 64.80 32.09 2 0 1000.00 -999 ? >HIS~A 17 13.63 60.33 36.51 13.94 59.09 38.17 13.78 59.71 37.34 3 0 1000.00 -999 ? >PRO.A 18 15.93 58.47 32.39 16.81 59.62 34.08 16.37 59.04 33.23 3 0 1000.00 -999 ? >ASP.A 19 21.59 60.81 32.70 21.77 58.73 32.54 21.68 59.77 32.62 2 0 1000.00 -999 ? >GLY.A 20 19.36 64.80 34.27 19.24 64.44 33.58 19.30 64.62 33.93 1 0 1000.00 -999 ? >GLU~A 21 16.63 68.91 33.32 16.06 70.77 34.12 16.35 69.84 33.72 2 0 1000.00 -999 ? >LYS~A 22 21.82 67.86 30.37 24.71 68.44 35.12 23.26 68.15 32.74 2 0 1000.00 -999 ? >VAL~A 23 21.05 64.82 28.21 21.02 62.71 28.82 21.04 63.76 28.52 3 0 1000.00 -999 ? >PRO~A 24 16.74 65.51 28.39 18.39 65.91 26.97 17.56 65.71 27.68 3 0 1000.00 -999 ? >ALA~A 25 19.51 69.57 25.91 19.91 70.51 27.03 19.71 70.04 26.47 2 0 1000.00 -999 ? >ALA~A 26 22.75 68.09 24.62 23.64 67.10 25.36 23.19 67.60 24.99 2 0 1000.00 -999 ? >GLU~A 27 20.65 63.69 23.31 21.82 62.78 21.80 21.23 63.23 22.55 2 0 1000.00 -999 ? >ILE~A 28 17.04 69.31 22.15 15.77 69.57 22.65 16.40 69.44 22.40 3 0 1000.00 -999 ? >THR~A 29 20.92 71.06 20.65 22.15 72.25 22.00 21.53 71.66 21.32 2 0 1000.00 -999 ? >ARG~A 30 23.99 65.14 17.62 24.43 62.84 19.60 24.21 63.99 18.61 2 0 1000.00 -999 ? >ALA~A 31 19.58 68.12 16.15 18.32 67.42 16.63 18.95 67.77 16.39 2 0 1000.00 -999 ? >TYR~A 32 18.95 74.16 17.31 18.83 76.96 17.16 18.89 75.56 17.23 3 0 1000.00 -999 ? >PHE~A 33 23.57 73.79 15.96 23.65 75.86 17.82 23.61 74.83 16.89 3 0 1000.00 -999 ? >GLU~A 34 22.69 67.48 13.35 22.29 65.47 13.92 22.49 66.47 13.63 2 0 1000.00 -999 ? >LEU~A 35 17.19 70.60 11.51 15.97 68.87 11.90 16.58 69.73 11.70 3 0 1000.00 -999 ? >GLY.A 36 20.04 74.18 10.50 19.34 73.98 10.89 19.69 74.08 10.69 1 0 1000.00 -999 ? >MET?A 37 17.58 75.99 12.75 15.14 73.12 14.62 16.36 74.55 13.69 2 0 1000.00 -999 ? >THR.A 38 17.67 79.55 14.04 17.69 80.36 12.01 17.68 79.95 13.03 2 0 1000.00 -999 ? >PHE.A 39 12.47 81.29 16.55 10.56 82.33 18.30 11.52 81.81 17.43 3 0 1000.00 -999 ? >PRO.A 40 14.14 78.36 20.74 14.29 79.51 18.85 14.22 78.93 19.80 3 0 1000.00 -999 ? >GLU.A 41 19.16 83.30 19.14 20.69 82.35 18.02 19.93 82.82 18.58 2 0 1000.00 -999 ? >LEU.A 42 20.06 76.86 20.54 18.80 75.65 21.80 19.43 76.26 21.17 3 0 1000.00 -999 ? >TYR.A 43 24.18 80.24 23.69 22.92 82.36 25.00 23.55 81.30 24.35 3 0 1000.00 -999 ? >ASP.A 44 26.88 77.25 17.88 28.49 78.63 17.74 27.69 77.94 17.81 2 0 1000.00 -999 ? >ASP.A 45 30.40 73.89 19.80 29.07 72.24 19.76 29.73 73.07 19.78 2 0 1000.00 -999 ? >SER.A 46 31.83 78.25 19.70 30.92 80.04 18.34 31.38 79.14 19.02 2 0 1000.00 -999 ? >HIS.A 47 28.29 80.64 22.24 27.64 82.34 21.21 27.97 81.49 21.72 3 0 1000.00 -999 ? >PRO.A 48 31.43 81.01 26.79 31.69 79.03 25.82 31.56 80.02 26.31 3 0 1000.00 -999 ? >GLU~A 49 27.96 77.92 31.04 29.31 76.76 32.20 28.63 77.34 31.62 2 0 1000.00 -999 ? >ALA~A 50 26.90 76.64 25.77 27.48 76.01 24.51 27.19 76.32 25.14 2 0 1000.00 -999 ? >LEU~A 51 26.24 72.10 27.29 25.45 70.12 27.64 25.85 71.11 27.47 3 0 1000.00 -999 ? >ALA~A 52 24.80 74.72 30.55 25.86 75.23 31.51 25.33 74.98 31.03 2 0 1000.00 -999 ? >ARG~A 53 26.09 80.22 28.46 27.37 82.07 26.37 26.73 81.15 27.42 2 0 1000.00 -999 ? >ASN~A 54 21.57 74.96 25.42 22.41 76.00 23.77 21.99 75.48 24.60 2 0 1000.00 -999 ? >THR~A 55 19.86 73.58 29.36 20.65 71.88 30.46 20.26 72.73 29.91 2 0 1000.00 -999 ? >GLN~A 56 18.57 78.54 32.89 19.68 80.06 33.84 19.13 79.30 33.37 2 0 1000.00 -999 ? >LYS~A 57 16.97 78.06 28.53 17.56 81.69 24.54 17.26 79.87 26.53 2 0 1000.00 -999 ? >ILE~A 58 15.88 73.68 26.78 16.15 72.72 25.73 16.02 73.20 26.25 3 0 1000.00 -999 ? >PHE~A 59 14.50 71.24 31.09 14.60 68.67 29.97 14.55 69.95 30.53 3 0 1000.00 -999 ? >ARG~A 60 14.32 80.45 32.63 16.70 81.86 31.30 15.51 81.15 31.97 2 0 1000.00 -999 ? >TRP~A 61 11.23 79.63 27.16 14.16 78.80 24.67 12.70 79.21 25.91 3 0 1000.00 -999 ? >VAL~A 62 9.21 73.54 29.58 10.13 71.58 29.29 9.67 72.56 29.43 3 0 1000.00 -999 ? >GLU~A 63 10.23 74.22 34.63 11.74 75.22 35.73 10.99 74.72 35.18 2 0 1000.00 -999 ? >LYS~A 64 6.02 77.53 32.04 7.16 79.94 36.55 6.59 78.73 34.29 2 0 1000.00 -999 ? >ASP.A 65 1.50 77.34 31.07 1.61 75.23 31.31 1.56 76.29 31.19 2 0 1000.00 -999 ? >THR~A 66 2.95 81.42 28.85 4.50 82.44 29.96 3.73 81.93 29.40 2 0 1000.00 -999 ? >PRO~A 67 0.82 83.63 25.76 2.54 82.23 25.85 1.68 82.93 25.81 3 0 1000.00 -999 ? >ASP~A 68 7.05 83.91 25.73 9.11 84.00 25.31 8.08 83.95 25.52 2 0 1000.00 -999 ? >ALA~A 69 7.39 79.60 26.44 7.11 79.18 27.86 7.25 79.39 27.15 2 0 1000.00 -999 ? >VAL~A 70 4.79 77.68 24.44 2.68 77.21 24.69 3.74 77.44 24.57 3 0 1000.00 -999 ? >GLU~A 71 6.45 81.58 20.90 6.17 83.33 19.76 6.31 82.46 20.33 2 0 1000.00 -999 ? >LYS~A 72 9.39 78.52 21.70 11.66 83.87 23.66 10.53 81.20 22.68 2 0 1000.00 -999 ? >ILE~A 73 8.23 74.25 23.79 9.34 73.41 24.44 8.79 73.83 24.11 3 0 1000.00 -999 ? >GLN~A 74 4.24 75.11 19.89 3.60 73.08 19.74 3.92 74.10 19.81 2 0 1000.00 -999 ? >ALA~A 75 9.44 76.01 17.30 10.04 77.40 17.43 9.74 76.70 17.37 2 0 1000.00 -999 ? >LEU~A 76 12.28 73.56 20.36 14.31 74.26 20.79 13.29 73.91 20.58 3 0 1000.00 -999 ? >LEU~A 77 8.08 70.47 17.83 6.54 69.79 19.15 7.31 70.13 18.49 3 0 1000.00 -999 ? >PRO~A 78 10.44 71.28 14.07 11.04 69.75 15.56 10.74 70.51 14.82 3 0 1000.00 -999 ? >ALA~A 79 14.72 69.08 16.92 15.57 70.25 17.39 15.14 69.67 17.15 2 0 1000.00 -999 ? >ILE~A 80 11.79 67.95 20.58 11.20 68.43 21.86 11.49 68.19 21.22 3 0 1000.00 -999 ? >GLU~A 81 8.99 65.31 17.23 7.39 65.29 15.86 8.19 65.30 16.55 2 0 1000.00 -999 ? >LYS~A 82 14.70 64.11 15.78 19.75 64.09 12.48 17.22 64.10 14.13 2 0 1000.00 -999 ? >SER~A 83 16.60 63.34 19.00 16.61 65.55 19.97 16.61 64.45 19.49 2 0 1000.00 -999 ? >MET?A 84 14.20 62.14 21.74 10.17 63.08 23.08 12.19 62.61 22.41 2 0 1000.00 -999 ? >PRO~A 85 14.93 58.76 24.50 14.09 59.09 22.48 14.51 58.92 23.49 3 0 1000.00 -999 ? >PRO~A 86 13.24 56.35 18.62 12.02 57.18 20.27 12.63 56.76 19.44 3 0 1000.00 -999 ? >LEU~A 87 9.67 54.35 23.63 8.04 53.57 24.88 8.85 53.96 24.25 3 0 1000.00 -999 ? >LEU~A 88 10.43 59.58 24.91 10.82 58.54 26.77 10.62 59.06 25.84 3 0 1000.00 -999 ? >VAL~A 89 8.21 60.53 21.11 9.21 61.28 19.29 8.71 60.90 20.20 3 0 1000.00 -999 ? >ALA~A 90 5.45 57.97 20.60 5.59 56.46 20.39 5.52 57.22 20.49 2 0 1000.00 -999 ? >ARG~A 91 5.58 56.65 27.33 7.25 54.24 28.29 6.41 55.45 27.81 2 0 1000.00 -999 ? >MET?A 92 4.28 62.25 23.66 6.95 65.40 22.60 5.61 63.82 23.13 2 0 1000.00 -999 ? >ARG~A 93 4.53 62.15 17.50 4.25 62.53 14.48 4.39 62.34 15.99 2 0 1000.00 -999 ? >SER~A 94 -0.26 59.57 21.60 0.39 58.78 23.80 0.06 59.18 22.70 2 0 1000.00 -999 ? >HIS~A 95 -1.27 62.70 25.59 0.01 62.03 27.12 -0.63 62.36 26.35 3 0 1000.00 -999 ? >SER~A 96 -3.60 63.44 20.13 -1.63 64.49 19.18 -2.62 63.97 19.65 2 0 1000.00 -999 ? >SER~A 97 -3.28 60.41 17.83 -2.08 59.57 15.90 -2.68 59.99 16.86 2 0 1000.00 -999 ? >ALA~A 98 -4.68 56.88 17.92 -5.96 56.46 17.24 -5.32 56.67 17.58 2 0 1000.00 -999 ? >TYR~A 99 -0.24 55.54 13.84 1.92 54.28 12.57 0.84 54.91 13.21 3 0 1000.00 -999 ? >PHE~A 100 1.99 58.45 17.17 3.14 59.33 14.78 2.57 58.89 15.97 3 0 1000.00 -999 ? >ARG~A 101 -4.83 55.71 22.96 -6.11 53.61 21.08 -5.47 54.66 22.02 2 0 1000.00 -999 ? >GLU~A 102 -4.10 51.83 18.17 -4.88 51.33 16.23 -4.49 51.58 17.20 2 0 1000.00 -999 ? >LEU~A 103 2.66 52.85 18.42 3.41 52.54 16.44 3.03 52.70 17.43 3 0 1000.00 -999 ? >VAL~A 104 2.70 52.51 22.77 2.68 54.28 24.02 2.69 53.40 23.40 3 0 1000.00 -999 ? >GLU~A 105 -2.09 50.88 24.81 -3.72 52.13 24.19 -2.90 51.50 24.50 2 0 1000.00 -999 ? >THR~A 106 1.41 47.23 21.64 1.07 46.70 19.56 1.24 46.96 20.60 2 0 1000.00 -999 ? >ARG~A 107 7.80 49.37 24.28 10.05 49.76 26.35 8.92 49.57 25.32 2 0 1000.00 -999 ? >GLU~A 108 2.86 49.90 27.19 4.58 50.57 28.20 3.72 50.23 27.70 2 0 1000.00 -999 ? >ARG~A 109 -1.08 44.68 24.03 -1.65 43.33 21.37 -1.36 44.01 22.70 2 0 1000.00 -999 ? >LEU~A 110 6.00 43.73 23.02 6.91 42.91 21.27 6.45 43.32 22.15 3 0 1000.00 -999 ? >VAL~A 111 7.30 43.86 27.34 8.49 45.65 27.78 7.90 44.75 27.56 3 0 1000.00 -999 ? >ARG~A 112 1.60 44.17 31.04 -0.39 44.43 28.72 0.61 44.30 29.88 2 0 1000.00 -999 ? >ASP~A 113 4.13 38.83 26.44 2.01 39.13 26.35 3.07 38.98 26.39 2 0 1000.00 -999 ? >ALA~A 114 8.52 39.15 27.83 9.40 40.24 27.30 8.96 39.69 27.56 2 0 1000.00 -999 ? >ASP~A 115 7.99 40.91 32.34 9.13 42.65 31.92 8.56 41.78 32.13 2 0 1000.00 -999 ? >ASP~A 116 4.73 36.81 30.74 2.95 37.22 31.75 3.84 37.02 31.25 2 0 1000.00 -999 ? >PHE~A 117 9.47 33.52 27.93 10.14 31.09 26.70 9.81 32.31 27.31 3 0 1000.00 -999 ? >VAL~A 118 11.08 35.48 32.51 12.36 37.17 32.89 11.72 36.33 32.70 3 0 1000.00 -999 ? >ALA~A 119 8.80 34.76 35.47 7.43 35.42 35.71 8.12 35.09 35.59 2 0 1000.00 -999 ? >VAL~A 120 7.82 31.43 33.93 6.27 30.86 32.53 7.05 31.15 33.23 3 0 1000.00 -999 ? >ALA~A 121 11.38 30.40 32.97 12.25 31.09 31.94 11.81 30.75 32.46 2 0 1000.00 -999 ? >ILE~A 122 12.49 32.62 37.20 13.10 33.68 37.97 12.80 33.15 37.59 3 0 1000.00 -999 ? >ALA~A 123 9.83 29.29 38.23 8.34 29.47 37.98 9.09 29.38 38.10 2 0 1000.00 -999 ? >GLY~A 124 11.09 26.46 36.07 11.56 26.84 36.53 11.33 26.65 36.30 1 0 1000.00 -999 ? >PHE~A 125 14.72 24.75 34.47 13.15 23.01 32.91 13.94 23.88 33.69 3 0 1000.00 -999 ? >LYS~B 2 7.55 10.03 28.83 13.23 7.09 28.90 10.39 8.56 28.87 2 0 1000.00 -999 ? >ILE~B 3 7.50 12.30 24.60 8.00 13.55 24.08 7.75 12.93 24.34 3 0 1000.00 -999 ? >LYS~B 4 3.79 9.64 23.53 -1.98 9.08 23.50 0.90 9.36 23.51 2 0 1000.00 -999 ? >HIS~B 5 5.40 6.42 18.43 6.43 5.98 16.66 5.91 6.20 17.55 3 0 1000.00 -999 ? >GLU~B 6 0.48 9.90 20.23 0.17 7.84 20.64 0.32 8.87 20.43 2 0 1000.00 -999 ? >HIS~B 7 2.33 13.79 21.78 0.40 13.72 22.60 1.37 13.76 22.19 3 0 1000.00 -999 ? >ILE~B 8 7.94 11.49 18.81 9.05 10.89 19.48 8.50 11.19 19.14 3 0 1000.00 -999 ? >ARG~B 9 3.17 9.85 12.94 2.01 7.59 14.64 2.59 8.72 13.79 2 0 1000.00 -999 ? >MET?B 10 3.95 15.58 15.23 3.26 18.70 18.02 3.61 17.14 16.63 2 0 1000.00 -999 ? >ALA~B 11 7.28 17.32 15.79 8.01 17.43 17.13 7.64 17.38 16.46 2 0 1000.00 -999 ? >MET?B 12 9.23 15.01 13.54 12.18 13.39 14.43 10.70 14.20 13.99 2 0 1000.00 -999 ? >ASN~B 13 5.55 15.24 10.30 5.24 13.12 10.27 5.39 14.18 10.29 2 0 1000.00 -999 ? >ALA~B 14 6.80 19.39 11.26 6.33 19.98 12.58 6.57 19.68 11.92 2 0 1000.00 -999 ? >TRP~B 15 13.54 20.04 11.92 15.68 17.46 13.99 14.61 18.75 12.96 3 0 1000.00 -999 ? >ALA~B 16 10.77 17.75 7.91 10.57 16.24 7.78 10.67 16.99 7.85 2 0 1000.00 -999 ? >HIS~B 17 5.89 20.99 6.03 4.43 21.52 4.63 5.16 21.25 5.33 3 0 1000.00 -999 ? >PRO~B 18 11.38 22.91 7.17 10.20 22.25 5.41 10.79 22.58 6.29 3 0 1000.00 -999 ? >ASP~B 19 15.27 21.63 4.69 15.93 23.64 4.68 15.60 22.64 4.68 2 0 1000.00 -999 ? >GLY~B 20 12.80 17.81 3.76 13.02 18.03 4.50 12.91 17.92 4.13 1 0 1000.00 -999 ? >GLU~B 21 12.37 12.19 5.69 10.30 12.60 5.87 11.34 12.40 5.78 2 0 1000.00 -999 ? >LYS~B 22 17.32 14.64 4.99 15.78 11.91 1.53 16.55 13.28 3.26 2 0 1000.00 -999 ? >VAL~B 23 17.85 17.50 7.47 17.57 19.64 7.18 17.71 18.57 7.32 3 0 1000.00 -999 ? >PRO~B 24 14.12 16.80 9.69 16.27 16.30 9.90 15.19 16.55 9.80 3 0 1000.00 -999 ? >ALA~B 25 17.69 12.63 9.76 17.47 11.88 8.46 17.58 12.26 9.11 2 0 1000.00 -999 ? >ALA~B 26 21.13 14.22 9.44 21.51 15.22 8.35 21.32 14.72 8.89 2 0 1000.00 -999 ? >GLU~B 27 19.58 18.32 11.98 21.33 19.47 11.90 20.45 18.89 11.94 2 0 1000.00 -999 ? >ILE~B 28 18.34 12.36 14.31 16.98 11.96 14.62 17.66 12.16 14.47 3 0 1000.00 -999 ? >THR~B 29 22.44 11.00 13.29 22.68 9.90 11.45 22.56 10.45 12.37 2 0 1000.00 -999 ? >ARG~B 30 26.53 17.15 13.74 28.48 19.54 13.51 27.51 18.34 13.62 2 0 1000.00 -999 ? >ALA~B 31 23.60 13.84 17.80 22.23 14.35 18.13 22.91 14.10 17.96 2 0 1000.00 -999 ? >TYR~B 32 22.87 7.75 16.82 23.09 4.97 16.92 22.98 6.36 16.87 3 0 1000.00 -999 ? >PHE~B 33 27.46 8.49 15.05 26.89 6.30 13.42 27.17 7.40 14.23 3 0 1000.00 -999 ? >GLU~B 34 27.95 14.71 18.15 27.40 16.77 18.16 27.67 15.74 18.15 2 0 1000.00 -999 ? >LEU~B 35 24.64 10.68 22.36 23.39 12.26 23.16 24.02 11.47 22.76 3 0 1000.00 -999 ? >GLY~B 36 28.04 7.53 21.39 27.22 7.64 21.46 27.63 7.59 21.43 1 0 1000.00 -999 ? >MET?B 37 24.80 5.63 20.94 21.55 8.29 21.32 23.17 6.96 21.13 2 0 1000.00 -999 ? >THR~B 38 24.37 2.13 19.56 25.92 1.30 20.81 25.14 1.71 20.19 2 0 1000.00 -999 ? >PHE~B 39 18.77 -0.01 20.71 16.11 -0.87 20.51 17.44 -0.44 20.61 3 0 1000.00 -999 ? >PRO~B 40 17.50 3.55 16.85 18.80 2.14 17.96 18.15 2.85 17.40 3 0 1000.00 -999 ? >GLU~B 41 21.62 -1.81 15.04 21.61 -3.75 14.17 21.62 -2.78 14.61 2 0 1000.00 -999 ? >LEU~B 42 22.04 5.05 13.20 20.12 6.04 13.45 21.08 5.55 13.32 3 0 1000.00 -999 ? >TYR~B 43 23.66 2.25 8.01 22.14 -0.09 7.61 22.90 1.08 7.81 3 0 1000.00 -999 ? >ASP~B 44 29.14 5.50 11.05 30.48 4.18 10.07 29.81 4.84 10.56 2 0 1000.00 -999 ? >ASP~B 45 30.93 8.75 7.54 32.59 8.40 8.81 31.76 8.58 8.18 2 0 1000.00 -999 ? >SER~B 46 31.74 4.12 6.98 33.06 2.21 7.72 32.40 3.17 7.35 2 0 1000.00 -999 ? >HIS~B 47 27.18 1.98 5.95 26.98 0.16 6.97 27.08 1.07 6.46 3 0 1000.00 -999 ? >PRO~B 48 28.00 2.21 0.60 28.09 4.14 1.71 28.04 3.18 1.16 3 0 1000.00 -999 ? >GLU~B 49 24.42 6.74 -1.45 23.06 6.43 -3.03 23.74 6.58 -2.24 2 0 1000.00 -999 ? >ALA~B 50 24.53 6.12 4.80 25.69 6.34 5.76 25.11 6.23 5.28 2 0 1000.00 -999 ? >LEU~B 51 22.88 10.71 4.76 22.10 12.55 5.59 22.49 11.63 5.18 3 0 1000.00 -999 ? >ALA~B 52 19.93 8.15 2.63 20.19 8.05 1.14 20.06 8.10 1.88 2 0 1000.00 -999 ? >ARG~B 53 19.67 1.64 4.33 20.65 -1.16 3.56 20.16 0.24 3.95 2 0 1000.00 -999 ? >ASN~B 54 19.97 5.64 8.86 21.32 7.27 8.69 20.65 6.46 8.78 2 0 1000.00 -999 ? >THR~B 55 16.80 8.64 6.79 16.56 9.68 4.91 16.68 9.16 5.85 2 0 1000.00 -999 ? >GLN~B 56 14.17 3.55 4.37 14.94 2.13 2.97 14.55 2.84 3.67 2 0 1000.00 -999 ? >LYS~B 57 14.83 3.85 8.87 19.22 -0.45 10.20 17.02 1.70 9.53 2 0 1000.00 -999 ? >ILE~B 58 14.84 8.07 11.27 15.71 8.95 11.92 15.28 8.51 11.60 3 0 1000.00 -999 ? >PHE~B 59 11.36 10.26 8.53 12.33 12.75 9.39 11.85 11.50 8.96 3 0 1000.00 -999 ? >ARG~B 60 11.03 0.82 7.39 13.82 -0.40 6.83 12.43 0.21 7.11 2 0 1000.00 -999 ? >TRP~B 61 11.61 1.82 13.05 15.39 2.83 13.43 13.50 2.32 13.24 3 0 1000.00 -999 ? >VAL~B 62 7.90 7.52 13.01 8.57 9.59 12.86 8.23 8.55 12.94 3 0 1000.00 -999 ? >GLU~B 63 5.80 5.10 8.84 6.09 4.84 6.76 5.94 4.97 7.80 2 0 1000.00 -999 ? >LYS~B 64 4.21 3.31 12.44 7.37 1.20 8.55 5.79 2.25 10.49 2 0 1000.00 -999 ? >ASP~B 65 1.16 2.93 15.91 0.74 4.83 15.11 0.95 3.88 15.51 2 0 1000.00 -999 ? >THR~B 66 3.97 -0.96 16.23 4.68 -1.62 14.31 4.33 -1.29 15.27 2 0 1000.00 -999 ? >PRO~B 67 4.01 -3.36 19.86 5.34 -1.88 18.88 4.67 -2.62 19.37 3 0 1000.00 -999 ? >ASP~B 68 9.51 -3.21 16.51 11.60 -3.20 16.06 10.55 -3.21 16.29 2 0 1000.00 -999 ? >ALA~B 69 8.72 1.15 15.85 7.59 1.56 14.92 8.16 1.36 15.38 2 0 1000.00 -999 ? >VAL~B 70 7.68 2.73 19.13 5.83 2.82 20.26 6.76 2.77 19.70 3 0 1000.00 -999 ? >GLU~B 71 12.23 -0.36 22.14 12.74 -2.39 22.34 12.49 -1.38 22.24 2 0 1000.00 -999 ? >LYS~B 72 13.26 2.35 18.66 14.65 -2.39 14.76 13.95 -0.02 16.71 2 0 1000.00 -999 ? >ILE~B 73 10.67 6.41 18.19 11.01 7.26 17.06 10.84 6.83 17.62 3 0 1000.00 -999 ? >GLN~B 74 9.86 5.47 23.44 9.04 7.37 24.00 9.45 6.42 23.72 2 0 1000.00 -999 ? >ALA~B 75 15.64 4.97 22.26 16.04 3.63 21.64 15.84 4.30 21.95 2 0 1000.00 -999 ? >LEU~B 76 15.94 7.74 18.29 17.32 7.51 16.65 16.63 7.62 17.47 3 0 1000.00 -999 ? >LEU~B 77 13.88 10.38 23.02 11.90 11.20 23.18 12.89 10.79 23.10 3 0 1000.00 -999 ? >PRO~B 78 18.01 9.75 24.59 17.49 11.33 23.11 17.75 10.54 23.85 3 0 1000.00 -999 ? >ALA~B 79 19.52 12.34 19.85 19.90 11.26 18.83 19.71 11.80 19.34 2 0 1000.00 -999 ? >ILE~B 80 14.86 13.21 18.83 13.69 12.74 18.07 14.28 12.98 18.45 3 0 1000.00 -999 ? >GLU~B 81 14.44 15.13 23.54 14.21 14.55 25.57 14.32 14.84 24.56 2 0 1000.00 -999 ? >LYS~B 82 19.69 17.03 21.29 25.29 17.88 22.35 22.49 17.45 21.82 2 0 1000.00 -999 ? >SER~B 83 19.33 18.14 17.69 18.70 16.17 16.44 19.02 17.15 17.06 2 0 1000.00 -999 ? >MET?B 84 15.70 19.15 17.19 11.66 17.86 18.10 13.68 18.51 17.65 2 0 1000.00 -999 ? >PRO~B 85 14.67 22.64 14.84 14.95 22.21 17.01 14.81 22.42 15.92 3 0 1000.00 -999 ? >PRO~B 86 16.13 25.20 20.71 14.36 24.02 20.07 15.24 24.61 20.39 3 0 1000.00 -999 ? >LEU~B 87 10.32 26.36 18.46 8.43 27.43 18.46 9.38 26.89 18.46 3 0 1000.00 -999 ? >LEU~B 88 10.16 21.25 16.95 9.33 22.35 15.26 9.75 21.80 16.11 3 0 1000.00 -999 ? >VAL~B 89 10.86 20.34 21.33 12.82 19.86 22.10 11.84 20.10 21.71 3 0 1000.00 -999 ? >ALA~B 90 8.68 22.54 23.53 8.75 24.06 23.63 8.71 23.30 23.58 2 0 1000.00 -999 ? >ARG~B 91 4.41 24.01 19.24 5.20 25.78 16.86 4.81 24.89 18.05 2 0 1000.00 -999 ? >MET?B 92 6.53 18.06 21.66 9.64 15.27 20.64 8.08 16.66 21.15 2 0 1000.00 -999 ? >ARG~B 93 10.32 17.87 26.94 13.38 18.01 27.14 11.85 17.94 27.04 2 0 1000.00 -999 ? >SER~B 94 3.81 20.40 25.87 2.73 20.95 23.76 3.27 20.67 24.81 2 0 1000.00 -999 ? >HIS~B 95 1.11 17.11 23.11 1.10 17.91 21.17 1.11 17.51 22.14 3 0 1000.00 -999 ? >SER~B 96 2.72 16.10 28.83 5.07 15.54 28.48 3.90 15.82 28.66 2 0 1000.00 -999 ? >SER~B 97 4.19 19.08 30.65 6.10 20.47 31.19 5.15 19.78 30.92 2 0 1000.00 -999 ? >ALA~B 98 2.11 22.02 31.89 1.38 22.07 33.23 1.74 22.04 32.56 2 0 1000.00 -999 ? >TYR~B 99 7.78 24.35 32.76 10.05 25.94 32.44 8.91 25.15 32.60 3 0 1000.00 -999 ? >PHE~B 100 8.19 21.97 28.10 10.97 21.72 28.40 9.58 21.85 28.25 3 0 1000.00 -999 ? >ARG~B 101 -1.01 23.00 27.79 -1.21 24.16 30.63 -1.11 23.58 29.21 2 0 1000.00 -999 ? >GLU~B 102 2.91 29.22 31.29 2.70 29.41 33.39 2.81 29.32 32.34 2 0 1000.00 -999 ? >LEU~B 103 7.28 27.23 27.76 9.28 27.57 28.45 8.28 27.40 28.10 3 0 1000.00 -999 ? >VAL~B 104 4.72 27.67 24.24 4.42 25.95 22.93 4.57 26.81 23.58 3 0 1000.00 -999 ? >GLU~B 105 -0.55 28.92 25.73 -0.98 27.26 26.99 -0.76 28.09 26.36 2 0 1000.00 -999 ? >THR~B 106 3.88 32.78 26.00 4.78 33.28 27.88 4.33 33.03 26.94 2 0 1000.00 -999 ? >ARG~B 107 6.55 30.75 19.87 6.45 30.86 16.84 6.50 30.80 18.35 2 0 1000.00 -999 ? >GLU~B 108 1.72 30.23 20.26 2.55 30.40 18.30 2.13 30.32 19.28 2 0 1000.00 -999 ? >ARG~B 109 -0.34 35.83 25.92 1.15 35.14 28.50 0.41 35.49 27.21 2 0 1000.00 -999 ? >LEU~B 110 6.27 36.90 22.20 7.29 37.32 24.07 6.78 37.11 23.14 3 0 1000.00 -999 ? >VAL~B 111 4.48 36.43 18.17 4.97 34.61 17.05 4.72 35.52 17.61 3 0 1000.00 -999 ? >ARG~B 112 -2.30 35.59 19.06 -2.35 35.31 22.12 -2.32 35.45 20.59 2 0 1000.00 -999 ? >ASP~B 113 2.77 41.17 21.04 1.64 40.64 22.73 2.20 40.90 21.89 2 0 1000.00 -999 ? >ALA~B 114 4.63 41.24 16.98 5.77 40.24 16.73 5.20 40.74 16.85 2 0 1000.00 -999 ? >ASP~B 115 1.10 39.50 14.11 2.28 37.84 13.48 1.69 38.67 13.80 2 0 1000.00 -999 ? >ASP~B 116 -0.60 43.48 17.50 -1.99 41.97 17.97 -1.30 42.72 17.74 2 0 1000.00 -999 ? >PHE~B 117 4.73 46.29 17.13 5.72 47.77 19.29 5.22 47.03 18.21 3 0 1000.00 -999 ? >VAL~B 118 2.81 45.20 11.80 3.72 43.66 10.58 3.27 44.43 11.19 3 0 1000.00 -999 ? >ALA~B 119 -0.98 45.70 11.59 -2.03 44.91 12.36 -1.50 45.31 11.98 2 0 1000.00 -999 ? >VAL~B 120 -0.85 49.00 13.47 -0.64 49.66 15.54 -0.75 49.33 14.50 3 0 1000.00 -999 ? >ALA~B 121 1.84 50.29 11.12 3.30 49.83 11.05 2.57 50.06 11.09 2 0 1000.00 -999 ? >ILE~B 122 -0.74 47.49 8.06 -0.47 47.11 7.40 -0.60 47.30 7.73 3 0 1000.00 -999 ? >ALA~B 123 -3.31 50.79 9.56 -3.90 50.62 10.95 -3.60 50.71 10.26 2 0 1000.00 -999 ? >GLY~B 124 -1.28 53.97 9.52 -1.30 53.37 8.90 -1.29 53.67 9.21 1 0 1000.00 -999 ? >PHE~B 125 -2.79 53.92 5.36 -4.76 55.85 5.89 -3.77 54.88 5.63 3 0 1000.00 -999 ? >LYS~C 2 25.79 31.46 45.90 21.13 31.14 47.94 23.46 31.30 46.92 2 0 1000.00 -999 ? >ILE~C 3 23.15 35.27 45.46 21.88 35.52 44.70 22.52 35.40 45.08 3 0 1000.00 -999 ? >LYS~C 4 27.06 37.93 46.32 32.35 37.43 45.39 29.71 37.68 45.86 2 0 1000.00 -999 ? >HIS~C 5 25.59 41.60 51.09 24.40 42.73 52.39 25.00 42.16 51.74 3 0 1000.00 -999 ? >GLU~C 6 29.30 43.06 46.58 31.02 42.84 45.35 30.16 42.95 45.96 2 0 1000.00 -999 ? >HIS~C 7 26.13 40.90 42.33 28.07 40.77 41.54 27.10 40.83 41.94 3 0 1000.00 -999 ? >ILE~C 8 21.61 40.70 47.52 21.11 39.60 48.35 21.36 40.15 47.94 3 0 1000.00 -999 ? >ARG~C 9 24.46 47.87 48.61 27.04 46.67 49.75 25.75 47.27 49.18 2 0 1000.00 -999 ? >MET?C 10 21.78 46.35 43.34 25.32 45.75 41.31 23.55 46.05 42.33 2 0 1000.00 -999 ? >ALA~C 11 18.48 44.53 42.86 18.31 43.02 42.83 18.40 43.78 42.85 2 0 1000.00 -999 ? >MET?C 12 17.21 45.76 46.21 15.76 43.51 48.40 16.49 44.63 47.31 2 0 1000.00 -999 ? >ASN~C 13 19.37 50.05 45.27 20.50 50.16 47.10 19.93 50.11 46.18 2 0 1000.00 -999 ? >ALA~C 14 16.42 49.01 41.95 16.90 48.08 40.84 16.66 48.55 41.40 2 0 1000.00 -999 ? >TRP~C 15 10.64 46.16 44.17 10.61 43.06 46.59 10.62 44.61 45.38 3 0 1000.00 -999 ? >ALA~C 16 12.94 50.51 45.71 13.63 50.58 47.06 13.28 50.54 46.38 2 0 1000.00 -999 ? >HIS~C 17 15.25 53.88 41.04 16.34 55.50 40.28 15.80 54.69 40.66 3 0 1000.00 -999 ? >PRO~C 18 9.88 51.99 41.58 10.98 53.80 42.27 10.43 52.89 41.92 3 0 1000.00 -999 ? >ASP~C 19 6.86 52.83 45.15 5.74 52.75 43.36 6.30 52.79 44.25 2 0 1000.00 -999 ? >GLY~C 20 10.62 54.12 47.84 10.44 53.40 47.45 10.53 53.76 47.65 1 0 1000.00 -999 ? >GLU~C 21 14.35 51.94 50.53 15.69 52.85 51.86 15.02 52.39 51.19 2 0 1000.00 -999 ? >LYS~C 22 8.63 50.67 51.96 8.69 55.71 54.07 8.66 53.19 53.02 2 0 1000.00 -999 ? >VAL~C 23 7.20 48.68 49.03 6.24 49.22 47.15 6.72 48.95 48.09 3 0 1000.00 -999 ? >PRO~C 24 11.15 47.61 47.46 9.61 46.70 48.78 10.38 47.15 48.12 3 0 1000.00 -999 ? >ALA~C 25 9.96 45.87 52.61 10.26 47.03 53.56 10.11 46.45 53.08 2 0 1000.00 -999 ? >ALA~C 26 6.19 45.43 52.73 5.14 46.38 52.16 5.67 45.90 52.44 2 0 1000.00 -999 ? >GLU~C 27 5.83 43.71 47.87 3.84 43.07 48.20 4.84 43.39 48.03 2 0 1000.00 -999 ? >ILE~C 28 10.84 41.53 51.83 12.24 41.63 51.63 11.54 41.58 51.73 3 0 1000.00 -999 ? >THR~C 29 7.82 40.88 55.01 7.76 42.29 56.63 7.79 41.59 55.82 2 0 1000.00 -999 ? >ARG~C 30 1.69 39.66 53.44 1.57 38.77 56.40 1.63 39.21 54.92 2 0 1000.00 -999 ? >ALA~C 31 6.50 36.59 52.00 7.54 36.75 50.93 7.02 36.67 51.46 2 0 1000.00 -999 ? >TYR~C 32 9.91 37.08 57.26 11.05 36.82 59.81 10.48 36.95 58.53 3 0 1000.00 -999 ? >PHE~C 33 5.45 37.33 59.06 6.59 38.90 61.06 6.02 38.11 60.06 3 0 1000.00 -999 ? >GLU~C 34 2.45 34.37 52.63 2.39 35.47 50.79 2.42 34.92 51.71 2 0 1000.00 -999 ? >LEU~C 35 8.28 31.56 53.98 8.73 31.47 51.86 8.51 31.52 52.92 3 0 1000.00 -999 ? >GLY~C 36 6.94 30.90 58.48 7.54 31.20 58.04 7.24 31.05 58.26 1 0 1000.00 -999 ? >MET?C 37 10.42 32.35 58.93 11.70 33.45 55.08 11.06 32.90 57.00 2 0 1000.00 -999 ? >THR~C 38 12.07 33.65 62.09 11.49 31.90 63.25 11.78 32.77 62.67 2 0 1000.00 -999 ? >PHE~C 39 18.01 34.19 61.44 20.48 35.47 61.73 19.24 34.83 61.58 3 0 1000.00 -999 ? >PRO~C 40 16.53 38.60 58.67 16.29 36.88 60.08 16.41 37.74 59.38 3 0 1000.00 -999 ? >GLU~C 41 15.22 39.81 65.00 15.55 39.89 67.10 15.38 39.85 66.05 2 0 1000.00 -999 ? >LEU~C 42 10.94 40.97 60.21 12.13 41.24 58.43 11.53 41.10 59.32 3 0 1000.00 -999 ? >TYR~C 43 9.38 44.58 64.89 11.29 45.36 66.77 10.34 44.97 65.83 3 0 1000.00 -999 ? >ASP~C 44 4.27 40.18 63.40 3.85 40.31 65.48 4.06 40.24 64.44 2 0 1000.00 -999 ? >ASP~C 45 0.52 43.13 61.58 1.10 42.72 59.59 0.81 42.93 60.59 2 0 1000.00 -999 ? >SER~C 46 1.25 43.29 66.20 1.15 42.18 68.37 1.20 42.74 67.28 2 0 1000.00 -999 ? >HIS~C 47 5.93 44.45 67.00 6.59 42.89 68.23 6.26 43.67 67.61 3 0 1000.00 -999 ? >PRO~C 48 4.73 49.65 68.16 3.29 49.03 66.59 4.01 49.34 67.37 3 0 1000.00 -999 ? >GLU~C 49 5.93 53.21 62.39 4.03 54.04 62.02 4.98 53.62 62.20 2 0 1000.00 -999 ? >ALA~C 50 6.09 47.52 62.10 5.10 46.37 61.97 5.60 46.94 62.04 2 0 1000.00 -999 ? >LEU~C 51 5.44 48.90 57.48 5.38 48.71 55.32 5.41 48.80 56.40 3 0 1000.00 -999 ? >ALA~C 52 8.68 51.47 58.96 8.25 52.75 59.69 8.47 52.11 59.32 2 0 1000.00 -999 ? >ARG~C 53 9.15 49.71 64.92 9.77 48.33 67.56 9.46 49.02 66.24 2 0 1000.00 -999 ? >ASN~C 54 10.03 45.53 58.79 9.21 44.26 60.28 9.62 44.90 59.54 2 0 1000.00 -999 ? >THR~C 55 12.03 48.80 56.43 10.82 50.04 55.12 11.43 49.42 55.77 2 0 1000.00 -999 ? >GLN~C 56 14.01 52.56 59.34 13.79 53.78 61.09 13.90 53.17 60.22 2 0 1000.00 -999 ? >LYS~C 57 16.23 47.07 59.57 15.30 43.57 63.40 15.76 45.32 61.48 2 0 1000.00 -999 ? >ILE~C 58 14.93 45.09 55.28 14.06 44.07 54.62 14.50 44.58 54.95 3 0 1000.00 -999 ? >PHE~C 59 16.36 49.11 52.38 15.02 48.28 50.06 15.69 48.70 51.22 3 0 1000.00 -999 ? >ARG~C 60 21.33 48.94 60.69 18.80 50.44 61.59 20.07 49.69 61.14 2 0 1000.00 -999 ? >TRP~C 61 21.00 44.12 59.13 17.45 42.48 59.57 19.23 43.30 59.35 3 0 1000.00 -999 ? >VAL~C 62 21.48 45.83 52.61 19.87 46.08 51.13 20.67 45.95 51.87 3 0 1000.00 -999 ? >GLU~C 63 24.21 51.41 52.91 24.38 51.58 50.77 24.30 51.50 51.84 2 0 1000.00 -999 ? >LYS~C 64 26.14 47.54 55.59 25.69 51.39 59.30 25.91 49.47 57.45 2 0 1000.00 -999 ? >ASP~C 65 29.80 45.63 53.76 30.29 44.38 52.15 30.04 45.01 52.96 2 0 1000.00 -999 ? >THR~C 66 29.64 43.40 58.02 28.60 44.54 59.53 29.12 43.97 58.78 2 0 1000.00 -999 ? >PRO~C 67 31.83 39.77 58.97 29.77 40.27 58.29 30.80 40.02 58.63 3 0 1000.00 -999 ? >ASP~C 68 26.33 41.07 61.46 24.59 40.82 62.62 25.46 40.95 62.04 2 0 1000.00 -999 ? >ALA~C 69 24.60 42.02 57.60 25.15 43.28 56.96 24.88 42.65 57.28 2 0 1000.00 -999 ? >VAL~C 70 25.63 39.53 54.94 27.48 39.22 53.86 26.55 39.38 54.40 3 0 1000.00 -999 ? >GLU~C 71 24.12 35.09 59.05 24.69 34.81 61.06 24.41 34.95 60.05 2 0 1000.00 -999 ? >LYS~C 72 20.88 38.27 57.64 22.19 40.27 62.71 21.53 39.27 60.18 2 0 1000.00 -999 ? >ILE~C 73 20.92 40.22 53.13 19.83 41.12 52.72 20.38 40.67 52.92 3 0 1000.00 -999 ? >GLN~C 74 23.38 34.13 52.51 23.54 34.76 50.49 23.46 34.45 51.50 2 0 1000.00 -999 ? >ALA~C 75 18.82 34.26 55.33 18.84 34.35 56.87 18.83 34.31 56.10 2 0 1000.00 -999 ? >LEU~C 76 16.29 38.13 54.09 14.75 39.25 55.13 15.52 38.69 54.61 3 0 1000.00 -999 ? >LEU~C 77 18.10 34.76 49.67 19.51 35.58 48.25 18.80 35.17 48.96 3 0 1000.00 -999 ? >PRO~C 78 15.25 31.79 51.51 14.53 33.53 50.32 14.89 32.66 50.91 3 0 1000.00 -999 ? >ALA~C 79 11.48 35.91 51.15 11.41 36.60 52.49 11.44 36.25 51.82 2 0 1000.00 -999 ? >ILE~C 80 14.69 38.61 48.64 15.78 39.64 48.80 15.24 39.12 48.72 3 0 1000.00 -999 ? >GLU~C 81 15.33 34.75 45.44 16.49 32.97 45.50 15.91 33.86 45.47 2 0 1000.00 -999 ? >LYS~C 82 9.35 34.98 46.36 4.64 32.90 47.32 7.00 33.94 46.84 2 0 1000.00 -999 ? >SER~C 83 8.60 38.72 46.47 7.85 39.30 48.70 8.22 39.01 47.58 2 0 1000.00 -999 ? >MET?C 84 10.84 40.61 44.07 15.04 40.82 43.51 12.94 40.72 43.79 2 0 1000.00 -999 ? >PRO~C 85 9.66 43.59 41.11 10.07 41.40 41.12 9.87 42.50 41.12 3 0 1000.00 -999 ? >PRO~C 86 8.66 37.72 38.42 10.56 38.82 38.75 9.61 38.27 38.58 3 0 1000.00 -999 ? >LEU~C 87 12.55 41.75 35.36 13.77 42.51 33.73 13.16 42.13 34.55 3 0 1000.00 -999 ? >LEU~C 88 14.42 42.82 40.13 14.30 44.96 39.81 14.36 43.89 39.97 3 0 1000.00 -999 ? >VAL~C 89 15.39 38.44 40.53 14.15 36.96 41.53 14.77 37.70 41.03 3 0 1000.00 -999 ? >ALA~C 90 16.74 37.36 37.16 15.94 37.43 35.85 16.34 37.40 36.50 2 0 1000.00 -999 ? >ARG~C 91 18.60 43.71 35.52 16.17 45.26 34.43 17.39 44.49 34.98 2 0 1000.00 -999 ? >MET?C 92 20.32 39.49 40.58 18.64 39.05 44.46 19.48 39.27 42.52 2 0 1000.00 -999 ? >ARG~C 93 18.38 33.70 41.12 17.90 30.70 41.36 18.14 32.20 41.24 2 0 1000.00 -999 ? >SER~C 94 22.77 36.62 36.26 22.05 38.89 35.89 22.41 37.76 36.08 2 0 1000.00 -999 ? >HIS~C 95 25.76 39.72 38.85 25.26 41.69 38.32 25.51 40.70 38.59 3 0 1000.00 -999 ? >SER~C 96 26.39 33.88 39.51 24.69 34.05 41.23 25.54 33.96 40.37 2 0 1000.00 -999 ? >SER~C 97 24.52 32.00 36.77 22.47 30.91 36.23 23.49 31.45 36.50 2 0 1000.00 -999 ? >ALA~C 98 24.83 31.86 32.97 25.76 30.93 32.21 25.30 31.40 32.59 2 0 1000.00 -999 ? >TYR~C 99 19.12 29.40 33.30 16.40 28.93 32.85 17.76 29.16 33.08 3 0 1000.00 -999 ? >PHE~C 100 18.99 33.19 36.63 17.40 31.32 37.94 18.20 32.25 37.29 3 0 1000.00 -999 ? >ARG~C 101 26.05 36.37 31.71 25.72 34.40 29.39 25.88 35.38 30.55 2 0 1000.00 -999 ? >GLU~C 102 22.35 32.72 28.24 22.33 30.78 27.43 22.34 31.75 27.84 2 0 1000.00 -999 ? >LEU~C 103 16.76 34.60 31.60 14.95 33.44 31.78 15.85 34.02 31.69 3 0 1000.00 -999 ? >VAL~C 104 18.03 38.84 31.00 18.70 39.91 32.78 18.36 39.38 31.89 3 0 1000.00 -999 ? >GLU~C 105 22.49 39.14 27.79 24.21 38.15 27.03 23.35 38.65 27.41 2 0 1000.00 -999 ? >THR~C 106 17.09 37.78 25.71 16.50 35.77 25.19 16.80 36.78 25.45 2 0 1000.00 -999 ? >ARG~C 107 13.15 42.01 29.85 12.37 44.86 30.68 12.76 43.43 30.26 2 0 1000.00 -999 ? >GLU~C 108 18.03 43.32 28.95 16.93 44.86 29.93 17.48 44.09 29.44 2 0 1000.00 -999 ? >ARG~C 109 19.20 39.64 20.98 19.40 37.16 22.75 19.30 38.40 21.86 2 0 1000.00 -999 ? >LEU~C 110 12.60 40.82 23.59 10.49 40.53 23.76 11.55 40.68 23.68 3 0 1000.00 -999 ? >VAL~C 111 12.80 45.24 24.38 12.48 46.10 26.37 12.64 45.67 25.37 3 0 1000.00 -999 ? >ARG~C 112 19.12 47.03 22.38 20.22 44.33 23.35 19.67 45.68 22.87 2 0 1000.00 -999 ? >ASP~C 113 13.56 43.79 18.64 15.47 43.04 18.17 14.51 43.41 18.40 2 0 1000.00 -999 ? >ALA~C 114 10.21 46.40 20.27 9.65 46.18 21.65 9.93 46.29 20.96 2 0 1000.00 -999 ? >ASP~C 115 12.52 50.42 21.47 11.48 50.61 23.29 12.00 50.52 22.38 2 0 1000.00 -999 ? >ASP~C 116 14.23 48.51 16.48 16.17 48.68 17.32 15.20 48.60 16.90 2 0 1000.00 -999 ? >PHE~C 117 7.98 47.15 15.19 6.41 46.25 13.05 7.20 46.70 14.12 3 0 1000.00 -999 ? >VAL~C 118 8.26 51.86 17.33 7.68 52.50 19.31 7.97 52.18 18.32 3 0 1000.00 -999 ? >ALA~C 119 11.07 53.86 15.69 12.57 53.64 15.95 11.82 53.75 15.82 2 0 1000.00 -999 ? >VAL~C 120 10.66 52.51 12.15 10.33 50.47 11.46 10.49 51.49 11.81 3 0 1000.00 -999 ? >ALA~C 121 6.91 52.84 12.61 6.05 52.14 13.64 6.48 52.49 13.13 2 0 1000.00 -999 ? >ILE~C 122 8.02 57.10 14.82 8.11 57.92 16.03 8.07 57.51 15.42 3 0 1000.00 -999 ? >ALA~C 123 9.56 57.55 10.84 11.06 57.27 10.74 10.31 57.41 10.79 2 0 1000.00 -999 ? >GLY~C 124 7.59 56.37 7.88 7.26 57.01 8.39 7.42 56.69 8.13 1 0 1000.00 -999 ? >PHE~C 125 2.66 58.39 11.15 0.28 59.82 11.57 1.47 59.10 11.36 3 0 1000.00 -999 ? >ASN~C 126 7.39 61.57 9.91 7.20 61.50 12.03 7.29 61.53 10.97 2 0 1000.00 -999 ? >GLN~C 127 8.06 58.92 3.76 9.35 57.32 3.23 8.71 58.12 3.49 2 0 1000.00 -999 ? >MET?C 128 3.17 60.53 4.55 2.72 63.65 7.13 2.95 62.09 5.84 2 0 1000.00 -999 ? >LYS~D 2 5.70 49.41 -7.99 0.36 49.53 -7.64 3.03 49.47 -7.82 2 0 1000.00 -999 ? >ILE~D 3 2.91 45.91 -5.95 2.34 45.35 -4.65 2.62 45.63 -5.30 3 0 1000.00 -999 ? >LYS~D 4 5.14 43.42 -9.27 11.17 43.45 -11.06 8.15 43.44 -10.17 2 0 1000.00 -999 ? >HIS~D 5 1.28 39.43 -12.08 -0.35 38.14 -12.31 0.47 38.78 -12.20 3 0 1000.00 -999 ? >GLU~D 6 6.93 38.70 -10.34 6.08 39.05 -12.24 6.50 38.88 -11.29 2 0 1000.00 -999 ? >HIS~D 7 6.66 41.48 -5.72 8.57 42.03 -6.42 7.62 41.75 -6.07 3 0 1000.00 -999 ? >ILE~D 8 0.27 40.36 -6.47 -0.69 41.38 -6.77 -0.21 40.87 -6.62 3 0 1000.00 -999 ? >ARG~D 9 1.99 33.35 -9.34 3.13 34.46 -11.97 2.56 33.90 -10.66 2 0 1000.00 -999 ? >MET?D 10 3.57 34.97 -3.75 7.44 35.92 -2.46 5.51 35.45 -3.11 2 0 1000.00 -999 ? >ALA~D 11 1.41 36.62 -1.06 1.28 38.12 -0.84 1.35 37.37 -0.95 2 0 1000.00 -999 ? >MET?D 12 -1.78 35.34 -2.71 -4.46 37.25 -3.51 -3.12 36.30 -3.11 2 0 1000.00 -999 ? >ASN~D 13 0.42 31.08 -3.43 -0.01 31.13 -5.52 0.21 31.10 -4.47 2 0 1000.00 -999 ? >ALA~D 14 0.57 32.19 1.00 1.59 33.25 1.47 1.08 32.72 1.23 2 0 1000.00 -999 ? >TRP~D 15 -5.28 34.83 3.24 -6.99 37.89 1.47 -6.13 36.36 2.35 3 0 1000.00 -999 ? >ALA~D 16 -4.58 30.66 0.18 -4.58 30.51 -1.33 -4.58 30.58 -0.57 2 0 1000.00 -999 ? >HIS~D 17 -0.12 26.86 2.14 0.85 25.05 2.58 0.37 25.95 2.36 3 0 1000.00 -999 ? >PRO~D 18 -4.02 29.98 5.23 -3.58 27.89 4.58 -3.80 28.94 4.90 3 0 1000.00 -999 ? >ASP~D 19 -8.59 27.79 5.03 -8.51 27.28 7.08 -8.55 27.54 6.05 2 0 1000.00 -999 ? >GLY~D 20 -7.64 27.09 0.41 -7.54 27.81 0.81 -7.59 27.45 0.61 1 0 1000.00 -999 ? >GLU~D 21 -6.55 29.15 -4.11 -6.44 28.36 -6.07 -6.50 28.75 -5.09 2 0 1000.00 -999 ? >LYS~D 22 -11.84 30.35 -1.30 -14.67 26.81 -4.33 -13.25 28.58 -2.82 2 0 1000.00 -999 ? >VAL~D 23 -11.15 32.28 1.89 -10.49 31.65 3.87 -10.82 31.97 2.88 3 0 1000.00 -999 ? >PRO~D 24 -7.24 33.29 0.23 -9.24 34.24 0.33 -8.24 33.76 0.28 3 0 1000.00 -999 ? >ALA~D 25 -11.64 34.98 -2.70 -12.07 33.78 -3.53 -11.86 34.38 -3.12 2 0 1000.00 -999 ? >ALA~D 26 -14.60 35.64 -0.39 -15.11 34.71 0.69 -14.85 35.17 0.15 2 0 1000.00 -999 ? >GLU~D 27 -10.99 38.23 3.54 -12.41 37.25 4.74 -11.70 37.74 4.14 2 0 1000.00 -999 ? >ILE~D 28 -10.44 39.50 -2.84 -9.23 39.33 -3.46 -9.83 39.41 -3.15 3 0 1000.00 -999 ? >THR~D 29 -14.98 40.02 -3.05 -16.19 38.40 -3.82 -15.59 39.21 -3.43 2 0 1000.00 -999 ? >ARG~D 30 -17.10 41.22 3.84 -16.78 38.44 5.12 -16.94 39.83 4.48 2 0 1000.00 -999 ? >ALA~D 31 -13.86 44.31 -0.13 -12.36 44.09 0.06 -13.11 44.20 -0.04 2 0 1000.00 -999 ? >TYR~D 32 -14.79 43.63 -6.24 -15.41 44.18 -8.91 -15.10 43.91 -7.58 3 0 1000.00 -999 ? >PHE~D 33 -19.35 43.33 -4.50 -19.71 41.74 -6.77 -19.53 42.54 -5.63 3 0 1000.00 -999 ? >GLU~D 34 -17.35 47.80 1.94 -16.38 47.01 3.63 -16.87 47.41 2.79 2 0 1000.00 -999 ? >LEU~D 35 -13.81 49.66 -2.94 -12.18 49.57 -1.51 -13.00 49.61 -2.23 3 0 1000.00 -999 ? >GLY~D 36 -17.94 49.74 -5.36 -17.13 49.63 -5.39 -17.53 49.69 -5.37 1 0 1000.00 -999 ? >MET?D 37 -15.48 48.42 -7.96 -11.82 47.15 -6.00 -13.65 47.79 -6.98 2 0 1000.00 -999 ? >THR~D 38 -16.55 47.47 -11.50 -17.27 49.38 -12.22 -16.91 48.42 -11.86 2 0 1000.00 -999 ? >PHE~D 39 -11.51 46.69 -14.73 -9.44 45.55 -16.21 -10.48 46.12 -15.47 3 0 1000.00 -999 ? >PRO~D 40 -10.90 42.37 -11.76 -11.99 44.07 -12.69 -11.45 43.22 -12.23 3 0 1000.00 -999 ? >GLU~D 41 -16.76 42.70 -15.47 -17.77 41.96 -17.19 -17.27 42.33 -16.33 2 0 1000.00 -999 ? >LEU~D 42 -16.13 40.40 -8.80 -14.19 39.47 -8.68 -15.16 39.93 -8.74 3 0 1000.00 -999 ? >TYR~D 43 -19.71 36.16 -10.97 -19.46 35.53 -13.69 -19.59 35.84 -12.33 3 0 1000.00 -999 ? >ASP~D 44 -23.73 40.00 -7.75 -24.99 40.95 -6.41 -24.36 40.48 -7.08 2 0 1000.00 -999 ? >ASP~D 45 -24.30 37.71 -2.84 -24.51 36.03 -1.56 -24.40 36.87 -2.20 2 0 1000.00 -999 ? >SER~D 46 -26.63 36.99 -6.98 -27.44 37.30 -9.27 -27.04 37.14 -8.12 2 0 1000.00 -999 ? >HIS~D 47 -23.90 34.19 -11.07 -24.00 34.11 -13.16 -23.95 34.15 -12.12 3 0 1000.00 -999 ? >PRO~D 48 -26.07 29.86 -9.49 -25.74 31.19 -7.72 -25.90 30.52 -8.61 3 0 1000.00 -999 ? >GLU~D 49 -22.15 29.09 -10.03 -22.39 31.17 -10.43 -22.27 30.13 -10.23 2 0 1000.00 -999 ? >ALA~D 50 -20.78 33.24 -6.59 -21.47 34.16 -5.58 -21.13 33.70 -6.09 2 0 1000.00 -999 ? >LEU~D 51 -17.93 31.55 -3.11 -16.50 31.59 -1.50 -17.22 31.57 -2.31 3 0 1000.00 -999 ? >ALA~D 52 -16.62 29.25 -6.43 -17.47 28.01 -6.63 -17.05 28.63 -6.53 2 0 1000.00 -999 ? >ARG~D 53 -19.16 32.01 -12.60 -20.82 29.71 -13.76 -19.99 30.86 -13.18 2 0 1000.00 -999 ? >ASN~D 54 -15.32 35.09 -7.16 -16.92 36.44 -7.63 -16.12 35.76 -7.40 2 0 1000.00 -999 ? >THR~D 55 -12.24 31.88 -6.81 -12.37 30.58 -5.12 -12.31 31.23 -5.96 2 0 1000.00 -999 ? >GLN~D 56 -12.08 28.90 -12.34 -11.69 30.20 -14.02 -11.89 29.55 -13.18 2 0 1000.00 -999 ? >LYS~D 57 -11.36 33.64 -11.99 -15.91 35.00 -14.72 -13.64 34.32 -13.35 2 0 1000.00 -999 ? >ILE~D 58 -9.43 35.88 -8.08 -9.78 36.71 -7.09 -9.61 36.30 -7.58 3 0 1000.00 -999 ? >PHE~D 59 -6.49 32.07 -6.65 -6.48 32.85 -3.95 -6.49 32.46 -5.30 3 0 1000.00 -999 ? >ARG~D 60 -8.65 31.41 -15.92 -8.01 33.19 -18.37 -8.33 32.30 -17.14 2 0 1000.00 -999 ? >TRP~D 61 -7.40 36.93 -15.01 -10.43 38.48 -13.05 -8.92 37.70 -14.03 3 0 1000.00 -999 ? >VAL~D 62 -2.69 35.46 -10.41 -2.81 35.46 -8.23 -2.75 35.46 -9.32 3 0 1000.00 -999 ? >GLU~D 63 -3.10 30.91 -12.96 -4.19 29.09 -13.14 -3.64 30.00 -13.05 2 0 1000.00 -999 ? >LYS~D 64 -0.78 33.71 -15.28 -4.66 32.99 -19.58 -2.72 33.35 -17.43 2 0 1000.00 -999 ? >ASP~D 65 3.17 35.73 -16.64 3.89 35.50 -14.68 3.53 35.62 -15.66 2 0 1000.00 -999 ? >THR~D 66 -0.17 37.49 -19.67 -2.11 37.13 -20.55 -1.14 37.31 -20.11 2 0 1000.00 -999 ? >PRO~D 67 -0.44 41.04 -22.10 -0.46 40.61 -19.92 -0.45 40.83 -21.01 3 0 1000.00 -999 ? >ASP~D 68 -5.30 40.01 -20.18 -6.11 41.21 -21.70 -5.70 40.61 -20.94 2 0 1000.00 -999 ? >ALA~D 69 -4.05 38.72 -16.08 -3.35 37.38 -15.96 -3.70 38.05 -16.02 2 0 1000.00 -999 ? >VAL~D 70 -1.55 41.26 -14.83 0.52 41.70 -15.21 -0.51 41.48 -15.02 3 0 1000.00 -999 ? >GLU~D 71 -5.26 45.79 -16.98 -5.89 46.31 -18.94 -5.57 46.05 -17.96 2 0 1000.00 -999 ? >LYS~D 72 -6.75 42.69 -13.69 -9.65 39.06 -17.93 -8.20 40.88 -15.81 2 0 1000.00 -999 ? >ILE~D 73 -3.62 40.82 -10.44 -4.16 39.91 -9.42 -3.89 40.36 -9.93 3 0 1000.00 -999 ? >GLN~D 74 -1.24 45.69 -11.91 -0.02 45.88 -10.18 -0.63 45.78 -11.04 2 0 1000.00 -999 ? >ALA~D 75 -6.90 46.80 -10.61 -7.90 46.67 -11.77 -7.40 46.74 -11.19 2 0 1000.00 -999 ? >LEU~D 76 -7.94 42.82 -8.13 -9.76 41.71 -7.87 -8.85 42.26 -8.00 3 0 1000.00 -999 ? >LEU~D 77 -3.70 46.25 -6.14 -1.65 45.77 -5.69 -2.68 46.01 -5.91 3 0 1000.00 -999 ? >PRO~D 78 -7.06 49.18 -5.73 -6.70 47.54 -4.28 -6.88 48.36 -5.01 3 0 1000.00 -999 ? >ALA~D 79 -9.45 45.17 -2.64 -10.45 44.49 -3.56 -9.95 44.83 -3.10 2 0 1000.00 -999 ? >ILE~D 80 -5.51 42.38 -2.94 -4.87 41.51 -3.78 -5.19 41.95 -3.36 3 0 1000.00 -999 ? >GLU~D 81 -2.68 46.95 0.11 -2.17 47.66 2.10 -2.43 47.31 1.11 2 0 1000.00 -999 ? >LYS~D 82 -7.94 45.90 2.26 -13.26 48.67 3.67 -10.60 47.28 2.97 2 0 1000.00 -999 ? >SER~D 83 -8.76 42.28 3.15 -9.27 41.42 0.93 -9.02 41.85 2.04 2 0 1000.00 -999 ? >MET?D 84 -5.36 40.62 3.11 -1.74 40.23 0.71 -3.55 40.43 1.91 2 0 1000.00 -999 ? >PRO~D 85 -4.23 37.54 5.94 -4.02 39.76 5.84 -4.13 38.65 5.89 3 0 1000.00 -999 ? >PRO~D 86 -3.11 43.28 8.97 -1.94 42.23 7.41 -2.52 42.76 8.19 3 0 1000.00 -999 ? >LEU~D 87 1.85 39.27 8.49 3.85 38.61 9.02 2.85 38.94 8.76 3 0 1000.00 -999 ? >LEU~D 88 0.06 38.34 3.65 0.13 36.18 3.92 0.10 37.26 3.78 3 0 1000.00 -999 ? >VAL~D 89 0.65 42.79 2.95 -1.05 44.11 3.02 -0.20 43.45 2.99 3 0 1000.00 -999 ? >ALA~D 90 3.86 43.95 4.66 4.21 43.73 6.14 4.04 43.84 5.40 2 0 1000.00 -999 ? >ARG~D 91 5.67 37.65 4.78 5.52 35.69 7.13 5.59 36.67 5.96 2 0 1000.00 -999 ? >MET?D 92 4.12 41.73 -0.41 0.31 42.13 -2.37 2.22 41.93 -1.39 2 0 1000.00 -999 ? >ARG~D 93 2.03 47.26 0.89 0.92 49.49 -0.85 1.48 48.37 0.02 2 0 1000.00 -999 ? >SER~D 94 8.70 44.86 1.11 9.15 42.53 1.66 8.92 43.70 1.38 2 0 1000.00 -999 ? >HIS~D 95 9.30 41.58 -2.69 8.86 39.75 -1.75 9.08 40.66 -2.22 3 0 1000.00 -999 ? >SER~D 96 8.96 47.46 -3.48 6.87 46.37 -4.09 7.91 46.92 -3.78 2 0 1000.00 -999 ? >SER~D 97 9.46 49.47 -0.28 8.37 50.59 1.54 8.91 50.03 0.63 2 0 1000.00 -999 ? >ALA~D 98 12.43 50.06 2.05 13.38 51.23 1.93 12.90 50.64 1.99 2 0 1000.00 -999 ? >TYR~D 99 7.98 51.94 6.00 6.30 52.15 8.23 7.14 52.05 7.11 3 0 1000.00 -999 ? >PHE~D 100 5.75 48.04 3.76 3.56 49.77 4.04 4.65 48.90 3.90 3 0 1000.00 -999 ? >ARG~D 101 13.65 45.99 1.24 15.50 44.32 3.03 14.57 45.16 2.14 2 0 1000.00 -999 ? >GLU~D 102 13.70 48.90 8.98 14.74 50.70 8.69 14.22 49.80 8.84 2 0 1000.00 -999 ? >LEU~D 103 7.84 47.20 8.55 5.80 47.12 9.20 6.82 47.16 8.87 3 0 1000.00 -999 ? >VAL~D 104 8.95 42.93 8.26 9.39 41.77 6.42 9.17 42.35 7.34 3 0 1000.00 -999 ? >GLU~D 105 14.53 42.71 7.47 15.64 44.14 6.36 15.09 43.42 6.91 2 0 1000.00 -999 ? >THR~D 106 11.92 43.80 12.65 11.89 45.73 13.53 11.90 44.76 13.09 2 0 1000.00 -999 ? >ARG~D 107 6.42 39.12 12.16 5.51 36.19 12.18 5.97 37.65 12.17 2 0 1000.00 -999 ? >GLU~D 108 11.21 38.19 9.59 9.99 36.47 9.82 10.60 37.33 9.70 2 0 1000.00 -999 ? >ARG~D 109 16.77 42.05 14.37 15.58 44.76 13.66 16.18 43.41 14.01 2 0 1000.00 -999 ? >LEU~D 110 9.84 40.74 17.45 9.56 42.71 18.31 9.70 41.72 17.88 3 0 1000.00 -999 ? >VAL~D 111 10.14 36.32 16.58 8.68 35.51 15.09 9.41 35.91 15.84 3 0 1000.00 -999 ? >ARG~D 112 16.45 35.06 13.92 16.85 37.98 13.00 16.65 36.52 13.46 2 0 1000.00 -999 ? >ASP~D 113 13.70 38.05 20.60 15.01 39.45 19.74 14.36 38.75 20.17 2 0 1000.00 -999 ? >ALA~D 114 10.83 34.80 21.19 9.52 34.87 20.44 10.17 34.83 20.82 2 0 1000.00 -999 ? >ASP~D 115 12.48 31.07 18.62 10.67 31.26 17.50 11.58 31.16 18.06 2 0 1000.00 -999 ? >ASP~D 116 16.47 33.56 21.70 17.45 33.63 19.84 16.96 33.59 20.77 2 0 1000.00 -999 ? >PHE~D 117 12.48 34.65 25.94 12.66 37.04 27.39 12.57 35.85 26.66 3 0 1000.00 -999 ? >VAL~D 118 12.28 29.02 24.45 10.70 28.10 23.28 11.49 28.56 23.87 3 0 1000.00 -999 ? >ALA~D 119 15.80 27.81 23.66 16.73 28.46 22.65 16.26 28.14 23.15 2 0 1000.00 -999 ? >VAL~D 120 17.03 29.13 27.01 17.86 31.02 27.71 17.45 30.08 27.36 3 0 1000.00 -999 ? >ALA~D 121 14.03 27.86 28.98 12.59 28.25 28.74 13.31 28.05 28.85 2 0 1000.00 -999 ? >ILE~D 122 14.29 23.82 26.25 14.69 23.79 25.48 14.49 23.81 25.87 3 0 1000.00 -999 ? >ALA~D 123 18.56 24.65 27.67 19.39 25.80 27.11 18.98 25.22 27.39 2 0 1000.00 -999 ? >GLY~D 124 17.78 24.71 31.38 17.53 24.08 30.93 17.66 24.40 31.16 1 0 1000.00 -999 ? >PHE~D 125 16.01 20.04 29.28 17.37 19.19 26.96 16.69 19.61 28.12 3 0 1000.00 -999 ? >ASN~D 126 20.98 20.99 30.82 21.14 20.58 28.75 21.06 20.79 29.79 2 0 1000.00 -999 ? >GLN~D 127 22.19 22.73 35.49 22.77 24.35 34.21 22.48 23.54 34.85 2 0 1000.00 -999 ? >MET?D 128 16.60 20.58 36.35 15.77 17.52 34.94 16.18 19.05 35.64 2 0 1000.00 -999 ?