REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-JUN-06 2HA9 COMPND UPF0210 PROTEIN SP0239; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 1313; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVES; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG AUTHOR C.CHANG,C.HATZOS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 12 8 HET MSE A 25 8 HET MSE A 158 8 HET MSE A 164 8 HET MSE A 177 8 HET MSE A 195 8 HET MSE A 255 8 HET MSE A 288 8 HET MSE A 315 8 HET MSE A 336 8 HET MSE A 353 8 HET MSE A 363 8 HET MSE A 378 8 HET MSE A 390 8 HET MSE A 406 8 HET MSE A 419 8 HET MSE B 1 8 HET MSE B 12 8 HET MSE B 25 8 HET MSE B 158 8 HET MSE B 164 8 HET MSE B 177 8 HET MSE B 195 5 HET MSE B 255 8 HET MSE B 288 8 HET MSE B 315 8 HET MSE B 336 8 HET MSE B 353 8 HET MSE B 363 8 HET MSE B 378 8 HET MSE B 390 8 HET MSE B 406 8 HET MSE B 419 8 >ALA.A 0 62.38 -11.19 65.25 61.74 -9.94 65.75 62.06 -10.57 65.50 2 0 1000.00 -999 ? >MET?A 1 66.01 -12.32 64.59 67.28 -13.04 60.77 66.65 -12.68 62.68 2 0 1000.00 -999 ? >ASP~A 2 68.85 -9.40 66.88 69.86 -8.75 68.53 69.35 -9.07 67.70 2 0 1000.00 -999 ? >ILE~A 3 67.93 -12.13 72.00 68.41 -13.29 72.80 68.17 -12.71 72.40 3 0 1000.00 -999 ? >ARG~A 4 69.92 -6.77 72.61 72.14 -8.14 74.25 71.03 -7.46 73.43 2 0 1000.00 -999 ? >GLN~A 5 65.06 -6.79 66.07 67.24 -6.87 65.77 66.15 -6.83 65.92 2 0 1000.00 -999 ? >VAL~A 6 62.66 -10.73 69.94 63.14 -12.89 69.97 62.90 -11.81 69.96 3 0 1000.00 -999 ? >THR~A 7 62.22 -9.00 73.27 63.38 -8.62 75.01 62.80 -8.81 74.14 2 0 1000.00 -999 ? >GLU~A 8 62.95 -4.44 71.22 63.92 -3.36 69.62 63.44 -3.90 70.42 2 0 1000.00 -999 ? >THR~A 9 58.45 -7.85 69.67 58.56 -8.70 67.69 58.50 -8.27 68.68 2 0 1000.00 -999 ? >ILE~A 10 57.94 -10.79 73.53 58.07 -12.10 74.03 58.00 -11.44 73.78 3 0 1000.00 -999 ? >ALA~A 11 56.70 -6.44 74.39 57.78 -5.33 74.39 57.24 -5.89 74.39 2 0 1000.00 -999 ? >MET?A 12 54.32 -5.46 71.65 56.47 -4.67 68.07 55.40 -5.07 69.86 2 0 1000.00 -999 ? >ILE~A 13 52.29 -10.05 72.00 52.58 -10.65 72.72 52.44 -10.35 72.36 3 0 1000.00 -999 ? >GLU~A 14 52.80 -6.03 77.02 53.32 -6.00 79.11 53.06 -6.01 78.06 2 0 1000.00 -999 ? >GLU~A 15 50.85 -1.58 75.38 52.98 -1.42 75.74 51.91 -1.50 75.56 2 0 1000.00 -999 ? >GLN~A 16 47.73 -2.43 70.04 49.75 -1.76 69.58 48.74 -2.09 69.81 2 0 1000.00 -999 ? >ASN.A 17 44.60 -8.31 71.25 43.78 -6.86 72.61 44.19 -7.59 71.93 2 0 1000.00 -999 ? >PHE.A 18 49.07 -7.92 67.51 50.21 -5.44 68.18 49.64 -6.68 67.85 3 0 1000.00 -999 ? >ASP.A 19 44.94 -11.74 64.01 43.49 -13.18 64.22 44.21 -12.46 64.12 2 0 1000.00 -999 ? >ILE^A 20 49.08 -15.40 63.38 50.00 -15.05 63.21 49.54 -15.22 63.29 3 0 1000.00 -999 ? >ARG^A 21 43.46 -12.77 60.36 43.10 -9.69 60.81 43.28 -11.23 60.58 2 0 1000.00 -999 ? >THR^A 22 47.78 -17.52 58.11 48.23 -17.83 56.03 48.00 -17.67 57.07 2 0 1000.00 -999 ? >ILE^A 23 51.43 -20.26 59.41 52.40 -20.47 60.47 51.92 -20.37 59.94 3 0 1000.00 -999 ? >THR^A 24 51.63 -21.17 54.97 50.55 -20.40 53.29 51.09 -20.79 54.13 2 0 1000.00 -999 ? >MET?A 25 54.09 -23.72 53.92 55.85 -27.54 55.01 54.97 -25.63 54.47 2 0 1000.00 -999 ? >GLY^A 26 55.31 -23.51 50.33 55.58 -24.08 50.94 55.44 -23.79 50.64 1 0 1000.00 -999 ? >ILE^A 27 55.48 -28.05 49.41 55.17 -29.11 50.32 55.33 -28.58 49.86 3 0 1000.00 -999 ? >SER.A 28 57.95 -27.59 45.51 59.54 -27.89 43.85 58.74 -27.74 44.68 2 0 1000.00 -999 ? >LEU~A 29 54.94 -30.76 43.46 53.45 -30.82 45.07 54.19 -30.79 44.26 3 0 1000.00 -999 ? >LEU~A 30 60.02 -29.81 40.38 59.24 -27.89 39.98 59.63 -28.85 40.18 3 0 1000.00 -999 ? >ASP~A 31 61.59 -34.04 43.55 60.46 -33.77 45.30 61.02 -33.90 44.42 2 0 1000.00 -999 ? >CYH~A 32 57.26 -35.50 42.19 56.42 -34.87 44.68 56.84 -35.18 43.44 2 0 1000.00 -999 ? >ILE~A 33 57.76 -34.35 37.48 57.73 -33.41 36.47 57.75 -33.88 36.98 3 0 1000.00 -999 ? >ASP.A 34 56.03 -39.49 37.74 56.28 -41.58 37.36 56.15 -40.54 37.55 2 0 1000.00 -999 ? >PRO.A 35 57.13 -40.26 32.58 55.43 -39.55 33.78 56.28 -39.90 33.18 3 0 1000.00 -999 ? >ASP~A 36 52.88 -43.26 35.60 51.19 -44.19 36.57 52.04 -43.73 36.08 2 0 1000.00 -999 ? >ILE~A 37 48.97 -38.90 35.77 47.97 -38.30 35.50 48.47 -38.60 35.64 3 0 1000.00 -999 ? >ASN~A 38 48.53 -43.35 39.00 46.67 -43.02 38.21 47.60 -43.18 38.60 2 0 1000.00 -999 ? >ARG~A 39 54.76 -44.85 38.74 57.37 -44.87 40.33 56.06 -44.86 39.54 2 0 1000.00 -999 ? >ALA~A 40 53.05 -38.37 40.40 52.71 -37.45 39.29 52.88 -37.91 39.84 2 0 1000.00 -999 ? >ALA~A 41 49.92 -38.41 42.50 48.59 -38.97 42.08 49.26 -38.69 42.29 2 0 1000.00 -999 ? >GLU~A 42 52.43 -43.04 45.61 51.91 -43.57 47.69 52.17 -43.30 46.65 2 0 1000.00 -999 ? >LYS~A 43 54.80 -38.97 45.09 58.41 -40.30 40.14 56.60 -39.63 42.61 2 0 1000.00 -999 ? >ILE~A 44 51.86 -35.14 44.93 51.31 -33.97 44.29 51.59 -34.55 44.61 3 0 1000.00 -999 ? >TYR~A 45 49.30 -38.75 49.84 48.50 -39.61 52.34 48.90 -39.18 51.09 3 0 1000.00 -999 ? >GLN~A 46 55.01 -40.94 49.38 54.46 -41.47 51.41 54.73 -41.21 50.39 2 0 1000.00 -999 ? >LYS~A 47 56.00 -35.27 49.79 60.07 -31.49 46.76 58.03 -33.38 48.28 2 0 1000.00 -999 ? >ILE~A 48 52.03 -32.67 50.69 51.09 -31.76 50.10 51.56 -32.21 50.40 3 0 1000.00 -999 ? >THR~A 49 52.47 -35.35 54.14 51.52 -37.24 53.47 52.00 -36.30 53.80 2 0 1000.00 -999 ? >THR~A 50 56.13 -35.69 55.17 57.79 -37.02 54.50 56.96 -36.35 54.83 2 0 1000.00 -999 ? >LYS~A 51 57.30 -32.14 54.76 62.52 -32.83 52.15 59.91 -32.49 53.45 2 0 1000.00 -999 ? >ALA~A 52 54.25 -30.65 56.36 53.12 -30.08 55.55 53.69 -30.37 55.96 2 0 1000.00 -999 ? >ALA.A 53 53.83 -33.35 58.93 54.64 -34.57 59.05 54.23 -33.96 58.99 2 0 1000.00 -999 ? >ASN~A 54 55.57 -30.87 62.41 56.10 -32.83 63.16 55.83 -31.85 62.78 2 0 1000.00 -999 ? >LEU~A 55 52.37 -27.56 59.04 52.10 -25.43 58.28 52.23 -26.49 58.66 3 0 1000.00 -999 ? >VAL~A 56 49.70 -27.54 62.26 47.75 -28.20 61.69 48.72 -27.87 61.97 3 0 1000.00 -999 ? >ALA~A 57 51.18 -28.72 65.54 51.91 -30.02 65.78 51.54 -29.37 65.66 2 0 1000.00 -999 ? >VAL~A 58 53.92 -26.07 65.37 55.92 -25.92 64.52 54.92 -25.99 64.95 3 0 1000.00 -999 ? >GLY~A 59 51.24 -23.51 64.56 51.29 -24.03 65.25 51.27 -23.77 64.90 1 0 1000.00 -999 ? >ASP~A 60 48.73 -25.70 67.87 47.09 -25.82 66.64 47.91 -25.76 67.26 2 0 1000.00 -999 ? >GLU~A 61 53.58 -26.77 69.92 55.32 -27.74 68.99 54.45 -27.26 69.46 2 0 1000.00 -999 ? >ILE~A 62 54.06 -20.63 67.40 55.01 -20.09 66.43 54.53 -20.36 66.91 3 0 1000.00 -999 ? >ALA~A 63 50.12 -19.63 69.17 48.85 -20.07 68.45 49.48 -19.85 68.81 2 0 1000.00 -999 ? >ALA~A 64 50.07 -21.14 72.69 50.31 -22.60 73.06 50.19 -21.87 72.88 2 0 1000.00 -999 ? >GLU~A 65 55.50 -21.36 73.43 56.62 -22.51 72.00 56.06 -21.93 72.71 2 0 1000.00 -999 ? >LEU~A 66 53.05 -15.68 70.86 55.18 -15.89 70.34 54.12 -15.78 70.60 3 0 1000.00 -999 ? >GLY~A 67 49.35 -16.28 73.44 49.74 -15.94 72.78 49.54 -16.11 73.11 1 0 1000.00 -999 ? >ILE.A 68 48.72 -13.89 69.50 49.17 -13.58 68.72 48.95 -13.73 69.11 3 0 1000.00 -999 ? >PRO.A 69 44.06 -14.81 68.43 45.81 -16.24 68.52 44.94 -15.52 68.48 3 0 1000.00 -999 ? >ILE^A 70 47.78 -19.25 64.71 49.10 -19.33 64.28 48.44 -19.29 64.50 3 0 1000.00 -999 ? >VAL^A 71 43.49 -18.55 62.56 42.14 -17.00 61.61 42.82 -17.77 62.09 3 0 1000.00 -999 ? >ASN^A 72 44.38 -20.04 58.46 42.36 -19.74 58.73 43.37 -19.89 58.60 2 0 1000.00 -999 ? >LYS^A 73 47.34 -23.06 58.55 46.56 -23.33 63.94 46.95 -23.20 61.25 2 0 1000.00 -999 ? >ARG^A 74 44.79 -21.71 54.09 43.49 -19.02 54.36 44.14 -20.36 54.22 2 0 1000.00 -999 ? >VAL^A 75 49.84 -25.17 52.19 50.66 -27.20 52.42 50.25 -26.18 52.31 3 0 1000.00 -999 ? >SER^A 76 50.79 -24.07 48.76 51.96 -21.95 48.54 51.38 -23.01 48.65 2 0 1000.00 -999 ? >VAL^A 77 52.38 -26.03 45.92 50.93 -27.63 46.02 51.65 -26.83 45.97 3 0 1000.00 -999 ? >THR.A 78 53.90 -25.90 42.52 55.53 -26.83 41.65 54.71 -26.37 42.08 2 0 1000.00 -999 ? >PRO~A 79 52.47 -22.89 39.61 51.89 -24.91 40.44 52.18 -23.90 40.02 3 0 1000.00 -999 ? >ILE~A 80 48.54 -28.92 39.50 49.04 -29.93 40.01 48.79 -29.43 39.75 3 0 1000.00 -999 ? >SER~A 81 49.72 -27.39 35.36 50.10 -24.90 35.18 49.91 -26.14 35.27 2 0 1000.00 -999 ? >LEU~A 82 54.60 -27.34 36.33 55.53 -25.53 35.62 55.07 -26.44 35.97 3 0 1000.00 -999 ? >ILE~A 83 52.69 -31.80 38.33 53.94 -31.91 38.93 53.32 -31.85 38.63 3 0 1000.00 -999 ? >GLY~A 84 50.17 -32.35 34.76 50.98 -32.13 34.60 50.58 -32.24 34.68 1 0 1000.00 -999 ? >ALA~A 85 52.26 -31.40 31.83 52.92 -30.01 31.65 52.59 -30.71 31.74 2 0 1000.00 -999 ? >ALA~A 86 54.85 -34.10 32.02 55.83 -34.27 33.13 55.34 -34.18 32.58 2 0 1000.00 -999 ? >THR.A 87 52.05 -36.51 31.44 50.70 -36.82 33.03 51.37 -36.67 32.23 2 0 1000.00 -999 ? >ASP.A 88 49.60 -39.41 28.48 50.55 -39.67 26.64 50.07 -39.54 27.56 2 0 1000.00 -999 ? >ALA.A 89 46.52 -37.28 30.83 46.43 -37.05 32.26 46.47 -37.16 31.55 2 0 1000.00 -999 ? >THR.A 90 43.60 -35.59 29.39 41.99 -36.83 28.53 42.80 -36.21 28.96 2 0 1000.00 -999 ? >ASP.A 91 41.13 -34.31 33.11 40.77 -36.15 34.11 40.95 -35.23 33.61 2 0 1000.00 -999 ? >TYR~A 92 46.36 -32.37 34.74 47.87 -31.82 32.38 47.11 -32.09 33.56 3 0 1000.00 -999 ? >VAL~A 93 41.83 -34.15 38.54 39.66 -34.30 38.69 40.75 -34.22 38.62 3 0 1000.00 -999 ? >VAL~A 94 43.74 -37.08 40.10 44.93 -38.73 39.39 44.33 -37.90 39.74 3 0 1000.00 -999 ? >LEU~A 95 47.12 -33.53 40.19 48.79 -34.55 39.17 47.96 -34.04 39.68 3 0 1000.00 -999 ? >ALA~A 96 43.79 -32.48 42.87 42.62 -31.80 42.29 43.21 -32.14 42.58 2 0 1000.00 -999 ? >LYS~A 97 42.58 -35.51 44.89 38.05 -38.50 41.28 40.32 -37.01 43.09 2 0 1000.00 -999 ? >ALA~A 98 46.25 -36.22 45.81 47.50 -36.23 44.85 46.88 -36.23 45.33 2 0 1000.00 -999 ? >LEU~A 99 46.25 -31.34 46.53 47.87 -30.30 45.46 47.06 -30.82 45.99 3 0 1000.00 -999 ? >ASP~A 100 41.76 -33.09 48.27 39.94 -32.75 49.39 40.85 -32.92 48.83 2 0 1000.00 -999 ? >LYS~A 101 44.20 -36.41 50.65 44.76 -41.89 48.08 44.48 -39.15 49.36 2 0 1000.00 -999 ? >ALA~A 102 47.48 -34.83 51.74 48.53 -34.27 50.90 48.01 -34.55 51.32 2 0 1000.00 -999 ? >ALA~A 103 45.70 -31.72 52.97 44.96 -30.78 52.22 45.33 -31.25 52.60 2 0 1000.00 -999 ? >LYS~A 104 43.20 -33.88 55.13 37.97 -34.53 51.62 40.59 -34.20 53.38 2 0 1000.00 -999 ? >GLU~A 105 48.09 -37.69 56.22 47.57 -39.10 57.75 47.83 -38.39 56.99 2 0 1000.00 -999 ? >ILE~A 106 49.22 -32.32 56.95 49.88 -31.90 55.69 49.55 -32.11 56.32 3 0 1000.00 -999 ? >GLY~A 107 45.04 -31.34 58.90 45.60 -31.01 58.44 45.32 -31.17 58.67 1 0 1000.00 -999 ? >VAL.A 108 45.27 -28.00 57.12 47.06 -27.82 55.90 46.16 -27.91 56.51 3 0 1000.00 -999 ? >ASP.A 109 42.19 -24.29 56.43 42.43 -23.92 58.62 42.31 -24.11 57.52 2 0 1000.00 -999 ? >PHE^A 110 41.54 -23.85 51.97 38.75 -23.61 52.46 40.15 -23.73 52.22 3 0 1000.00 -999 ? >ILE^A 111 46.51 -27.58 49.84 47.07 -28.70 49.29 46.79 -28.14 49.57 3 0 1000.00 -999 ? >GLY^A 112 46.38 -24.06 46.79 47.07 -24.56 47.02 46.72 -24.31 46.91 1 0 1000.00 -999 ? >GLY^A 113 48.36 -24.59 43.72 47.59 -24.88 43.58 47.98 -24.73 43.65 1 0 1000.00 -999 ? >PHE^A 114 44.26 -27.93 40.74 43.29 -29.73 38.76 43.78 -28.83 39.75 3 0 1000.00 -999 ? >SER^A 115 46.98 -23.44 38.93 47.09 -22.33 41.10 47.04 -22.89 40.01 2 0 1000.00 -999 ? >ALA^A 116 48.16 -22.25 35.58 47.33 -22.65 34.46 47.74 -22.45 35.02 2 0 1000.00 -999 ? >LEU^A 117 51.65 -19.03 35.01 51.86 -19.02 37.36 51.75 -19.03 36.18 3 0 1000.00 -999 ? >VAL.A 118 48.80 -18.39 31.23 46.81 -19.40 31.24 47.81 -18.90 31.24 3 0 1000.00 -999 ? >GLN.A 119 50.80 -13.90 32.82 52.02 -15.57 33.43 51.41 -14.73 33.13 2 0 1000.00 -999 ? >LYS.A 120 51.72 -15.27 27.59 56.80 -15.08 27.54 54.26 -15.18 27.56 2 0 1000.00 -999 ? >GLY.A 121 49.34 -17.96 26.28 49.84 -18.26 26.90 49.59 -18.11 26.59 1 0 1000.00 -999 ? >TYR.A 122 46.10 -21.80 26.67 43.62 -20.93 27.71 44.86 -21.37 27.19 3 0 1000.00 -999 ? >GLN.A 123 53.60 -22.31 26.78 53.88 -23.26 24.80 53.74 -22.79 25.79 2 0 1000.00 -999 ? >LYS.A 124 51.60 -27.63 27.22 52.41 -32.92 27.19 52.00 -30.28 27.21 2 0 1000.00 -999 ? >GLY~A 125 49.54 -28.42 30.32 49.20 -27.95 29.83 49.37 -28.18 30.08 1 0 1000.00 -999 ? >ASP~A 126 47.84 -23.93 30.15 49.79 -23.27 30.67 48.81 -23.60 30.41 2 0 1000.00 -999 ? >GLU~A 127 44.01 -24.70 26.85 43.80 -25.09 24.81 43.90 -24.90 25.83 2 0 1000.00 -999 ? >ILE~A 128 45.00 -30.70 30.15 45.43 -31.95 29.78 45.22 -31.33 29.96 3 0 1000.00 -999 ? >LEU~A 129 45.72 -27.20 34.20 45.71 -26.68 36.29 45.71 -26.94 35.24 3 0 1000.00 -999 ? >ILE~A 130 42.12 -24.08 32.18 42.41 -22.63 32.43 42.27 -23.36 32.31 3 0 1000.00 -999 ? >ASN~A 131 39.36 -28.30 30.60 39.36 -26.74 29.13 39.36 -27.52 29.86 2 0 1000.00 -999 ? >SER~A 132 39.97 -29.87 35.03 41.89 -31.19 34.46 40.93 -30.53 34.74 2 0 1000.00 -999 ? >ILE~A 133 39.21 -25.52 37.27 39.91 -24.33 37.57 39.56 -24.92 37.42 3 0 1000.00 -999 ? >PRO~A 134 35.12 -26.57 35.14 35.83 -27.34 37.20 35.47 -26.95 36.17 3 0 1000.00 -999 ? >ARG~A 135 34.31 -34.00 36.58 35.22 -37.05 36.33 34.76 -35.53 36.45 2 0 1000.00 -999 ? >ALA~A 136 38.65 -30.81 40.45 39.76 -29.99 40.08 39.20 -30.40 40.26 2 0 1000.00 -999 ? >LEU~A 137 36.71 -26.77 42.31 38.34 -25.34 42.72 37.52 -26.05 42.52 3 0 1000.00 -999 ? >ALA~A 138 33.46 -30.31 42.69 32.55 -30.78 41.60 33.00 -30.55 42.15 2 0 1000.00 -999 ? >GLU~A 139 34.41 -34.53 41.86 34.90 -35.77 40.14 34.65 -35.15 41.00 2 0 1000.00 -999 ? >THR.A 140 37.70 -32.04 46.51 39.34 -31.52 45.25 38.52 -31.78 45.88 2 0 1000.00 -999 ? >ASP.A 141 36.40 -30.75 51.06 35.14 -32.43 50.68 35.77 -31.59 50.87 2 0 1000.00 -999 ? >LYS.A 142 40.15 -28.39 50.58 39.78 -30.57 56.23 39.97 -29.48 53.40 2 0 1000.00 -999 ? >VAL^A 143 41.89 -27.56 47.31 42.81 -28.92 45.94 42.35 -28.24 46.63 3 0 1000.00 -999 ? >CYH^A 144 42.17 -24.04 45.86 41.75 -22.88 48.14 41.96 -23.46 47.00 2 0 1000.00 -999 ? >SER^A 145 42.55 -23.36 42.29 41.97 -23.88 40.13 42.26 -23.62 41.21 2 0 1000.00 -999 ? >SER^A 146 43.88 -20.13 40.56 46.10 -19.73 41.42 44.99 -19.93 40.99 2 0 1000.00 -999 ? >VAL^A 147 44.70 -19.02 36.97 43.70 -19.91 35.37 44.20 -19.46 36.17 3 0 1000.00 -999 ? >ASN^A 148 48.37 -15.97 36.67 49.09 -13.95 36.65 48.73 -14.96 36.66 2 0 1000.00 -999 ? >ILE.A 149 44.27 -14.54 32.61 43.66 -14.07 33.05 43.96 -14.30 32.83 3 0 1000.00 -999 ? >GLY^A 150 48.05 -11.50 32.26 48.08 -11.78 33.12 48.07 -11.64 32.69 1 0 1000.00 -999 ? >SER^A 151 50.86 -9.44 33.83 52.67 -10.61 32.64 51.76 -10.03 33.24 2 0 1000.00 -999 ? >THR.A 152 52.42 -6.06 33.15 52.89 -4.37 34.25 52.65 -5.22 33.70 2 0 1000.00 -999 ? >LYS.A 153 55.32 -7.90 31.55 59.40 -12.09 33.82 57.36 -10.00 32.68 2 0 1000.00 -999 ? >SER.A 154 53.16 -9.81 29.03 54.28 -11.79 29.83 53.72 -10.80 29.43 2 0 1000.00 -999 ? >GLY^A 155 49.83 -7.98 28.89 49.97 -8.78 29.24 49.90 -8.38 29.07 1 0 1000.00 -999 ? >ILE^A 156 45.26 -9.11 29.10 44.32 -8.43 30.08 44.79 -8.77 29.59 3 0 1000.00 -999 ? >ASN^A 157 46.15 -14.70 27.94 45.49 -16.32 26.62 45.82 -15.51 27.28 2 0 1000.00 -999 ? >MET?A 158 42.28 -12.63 26.25 40.86 -9.69 27.59 41.57 -11.16 26.92 2 0 1000.00 -999 ? >THR.A 159 41.73 -16.14 24.99 42.32 -17.55 23.56 42.03 -16.85 24.27 2 0 1000.00 -999 ? >ALA.A 160 42.29 -17.29 28.52 43.58 -17.33 29.34 42.94 -17.31 28.93 2 0 1000.00 -999 ? >VAL.A 161 39.92 -14.56 29.98 40.11 -12.38 30.44 40.01 -13.47 30.21 3 0 1000.00 -999 ? >ALA.A 162 37.09 -15.71 27.67 37.10 -15.71 26.20 37.10 -15.71 26.93 2 0 1000.00 -999 ? >ASP.A 163 39.06 -20.26 28.55 39.39 -20.92 26.49 39.22 -20.59 27.52 2 0 1000.00 -999 ? >MET?A 164 37.76 -18.37 32.24 39.99 -19.97 34.01 38.87 -19.17 33.12 2 0 1000.00 -999 ? >GLY.A 165 34.23 -16.99 31.84 34.58 -17.77 31.82 34.40 -17.38 31.83 1 0 1000.00 -999 ? >ARG.A 166 34.00 -23.68 28.94 36.91 -23.83 27.92 35.45 -23.76 28.43 2 0 1000.00 -999 ? >ILE.A 167 36.61 -22.24 33.49 37.54 -22.96 33.31 37.08 -22.60 33.40 3 0 1000.00 -999 ? >ILE.A 168 33.69 -18.53 36.47 34.19 -17.50 37.13 33.94 -18.01 36.80 3 0 1000.00 -999 ? >LYS.A 169 30.11 -20.99 35.22 25.58 -18.83 33.19 27.85 -19.91 34.21 2 0 1000.00 -999 ? >GLU.A 170 31.67 -25.90 32.72 32.50 -25.48 30.80 32.09 -25.69 31.76 2 0 1000.00 -999 ? >THR.A 171 32.46 -24.65 38.22 34.45 -24.21 38.91 33.45 -24.43 38.56 2 0 1000.00 -999 ? >ALA.A 172 29.45 -22.83 39.54 28.86 -21.53 38.99 29.16 -22.18 39.26 2 0 1000.00 -999 ? >ASN.A 173 25.99 -25.17 37.18 26.25 -24.33 35.25 26.12 -24.75 36.22 2 0 1000.00 -999 ? >LEU.A 174 30.28 -28.64 38.58 30.93 -30.22 37.28 30.60 -29.43 37.93 3 0 1000.00 -999 ? >SER.A 175 28.87 -27.99 42.94 31.22 -27.36 43.39 30.04 -27.67 43.17 2 0 1000.00 -999 ? >ASP.A 176 27.23 -26.40 47.17 25.47 -27.49 47.12 26.35 -26.94 47.14 2 0 1000.00 -999 ? >MET?A 177 30.84 -24.09 46.64 29.71 -20.93 48.07 30.27 -22.51 47.36 2 0 1000.00 -999 ? >GLY.A 178 33.36 -25.02 43.96 33.03 -24.34 44.25 33.20 -24.68 44.11 1 0 1000.00 -999 ? >VAL.A 179 33.30 -21.40 42.83 31.51 -20.67 41.89 32.41 -21.03 42.36 3 0 1000.00 -999 ? >ALA.A 180 34.47 -20.15 46.25 33.85 -20.30 47.65 34.16 -20.22 46.95 2 0 1000.00 -999 ? >LYS.A 181 37.88 -21.83 45.75 36.05 -27.41 47.40 36.97 -24.62 46.58 2 0 1000.00 -999 ? >LEU^A 182 37.54 -20.64 41.32 38.05 -20.71 39.14 37.79 -20.67 40.23 3 0 1000.00 -999 ? >VAL^A 183 40.46 -17.23 41.77 41.36 -16.20 43.40 40.91 -16.71 42.59 3 0 1000.00 -999 ? >VAL^A 184 41.38 -15.44 38.70 40.45 -15.55 36.86 40.91 -15.49 37.78 3 0 1000.00 -999 ? >PHE^A 185 45.62 -14.30 40.10 45.93 -14.85 42.63 45.78 -14.57 41.37 3 0 1000.00 -999 ? >ALA^A 186 46.65 -10.64 36.97 45.96 -9.45 36.52 46.30 -10.05 36.75 2 0 1000.00 -999 ? >ASN.A 187 50.40 -8.65 38.49 50.98 -7.34 36.97 50.69 -7.99 37.73 2 0 1000.00 -999 ? >ALA.A 188 50.32 -13.25 40.16 49.72 -14.60 39.82 50.02 -13.93 39.99 2 0 1000.00 -999 ? >VAL.A 189 53.60 -13.15 41.99 54.38 -11.60 43.34 53.99 -12.37 42.67 3 0 1000.00 -999 ? >PRO.A 193 52.40 -17.54 50.65 50.95 -16.70 49.13 51.68 -17.12 49.89 3 0 1000.00 -999 ? >MET?A 195 45.88 -17.66 49.69 44.88 -21.35 49.98 45.38 -19.50 49.84 2 0 1000.00 -999 ? >ALA.A 196 42.81 -16.70 47.96 43.14 -15.23 47.46 42.97 -15.97 47.71 2 0 1000.00 -999 ? >ALA.A 198 47.99 -18.64 46.00 47.43 -18.87 47.33 47.71 -18.75 46.66 2 0 1000.00 -999 ? >PHE.A 199 51.02 -20.15 42.39 52.02 -18.06 40.79 51.52 -19.10 41.59 3 0 1000.00 -999 ? >HIS.A 200 56.21 -23.09 46.59 58.19 -22.87 47.29 57.20 -22.98 46.94 3 0 1000.00 -999 ? >GLY.A 201 56.57 -20.46 42.55 56.88 -21.01 43.05 56.72 -20.74 42.80 1 0 1000.00 -999 ? >VAL.A 202 59.04 -22.60 40.70 59.19 -23.56 38.84 59.11 -23.08 39.77 3 0 1000.00 -999 ? >GLY.A 203 62.57 -21.52 41.84 62.00 -21.57 42.35 62.29 -21.54 42.10 1 0 1000.00 -999 ? >GLU.A 204 59.15 -19.02 45.52 60.09 -17.57 46.82 59.62 -18.30 46.17 2 0 1000.00 -999 ? >ALA.A 205 62.71 -22.85 47.99 62.88 -22.51 49.39 62.80 -22.68 48.69 2 0 1000.00 -999 ? >ASP.A 206 62.92 -27.65 48.45 62.15 -29.58 48.01 62.54 -28.61 48.23 2 0 1000.00 -999 ? >VAL^A 207 59.97 -25.62 51.26 59.37 -27.29 52.54 59.67 -26.45 51.90 3 0 1000.00 -999 ? >ILE^A 208 59.28 -21.07 51.82 60.47 -19.80 51.20 59.87 -20.43 51.51 3 0 1000.00 -999 ? >ILE^A 209 57.51 -20.93 56.90 57.02 -21.35 58.05 57.27 -21.14 57.47 3 0 1000.00 -999 ? >ASN^A 210 54.96 -16.85 53.73 56.32 -17.30 52.08 55.64 -17.08 52.90 2 0 1000.00 -999 ? >VAL^A 211 52.90 -15.78 57.46 54.02 -15.39 59.28 53.46 -15.59 58.37 3 0 1000.00 -999 ? >GLY^A 212 50.05 -13.34 57.06 50.27 -13.67 57.87 50.16 -13.50 57.46 1 0 1000.00 -999 ? >VAL^A 213 49.24 -11.06 59.99 50.99 -10.33 60.90 50.12 -10.69 60.45 3 0 1000.00 -999 ? >SER.A 214 46.10 -9.35 61.17 46.35 -8.53 63.59 46.23 -8.94 62.38 2 0 1000.00 -999 ? >GLY~A 215 45.42 -5.65 61.26 44.87 -5.93 61.59 45.14 -5.79 61.42 1 0 1000.00 -999 ? >PRO~A 216 41.65 -5.42 59.03 42.65 -4.38 60.70 42.15 -4.90 59.86 3 0 1000.00 -999 ? >GLY~A 217 41.21 -3.83 64.32 41.91 -3.60 63.99 41.56 -3.72 64.16 1 0 1000.00 -999 ? >VAL~A 218 44.60 -2.76 65.58 46.33 -4.05 65.81 45.47 -3.41 65.69 3 0 1000.00 -999 ? >VAL~A 219 44.73 -0.05 62.98 45.45 0.23 60.95 45.09 0.09 61.97 3 0 1000.00 -999 ? >LYS~A 220 41.17 1.01 63.76 36.33 -1.41 66.31 38.75 -0.20 65.04 2 0 1000.00 -999 ? >ALA~A 222 45.07 3.19 66.60 46.34 2.84 65.89 45.71 3.01 66.24 2 0 1000.00 -999 ? >LEU~A 223 42.28 5.43 63.24 43.53 5.45 61.37 42.90 5.44 62.31 3 0 1000.00 -999 ? >GLU~A 224 38.67 4.38 67.11 38.10 2.58 68.05 38.39 3.48 67.58 2 0 1000.00 -999 ? >LYS~A 225 43.25 7.96 69.30 44.98 3.68 71.92 44.11 5.82 70.61 2 0 1000.00 -999 ? >VAL.A 226 43.62 10.59 66.48 45.37 9.87 65.39 44.50 10.23 65.93 3 0 1000.00 -999 ? >ARG.A 227 37.04 10.29 66.04 35.95 7.74 67.42 36.50 9.01 66.73 2 0 1000.00 -999 ? >GLY.A 228 40.23 15.33 64.41 40.81 14.86 64.19 40.52 15.09 64.30 1 0 1000.00 -999 ? >GLN.A 229 44.66 14.82 65.98 46.31 14.45 67.28 45.48 14.63 66.63 2 0 1000.00 -999 ? >SER~A 230 45.57 16.10 60.27 47.99 16.37 60.44 46.78 16.23 60.35 2 0 1000.00 -999 ? >PHE~A 231 44.74 13.55 55.73 42.10 13.13 54.90 43.42 13.34 55.31 3 0 1000.00 -999 ? >ASP~A 232 50.82 15.33 58.94 50.65 16.95 57.58 50.74 16.14 58.26 2 0 1000.00 -999 ? >VAL~A 233 49.22 12.35 61.71 48.65 13.08 63.71 48.94 12.72 62.71 3 0 1000.00 -999 ? >VAL~A 234 46.91 9.77 60.24 44.88 9.57 59.60 45.89 9.67 59.92 3 0 1000.00 -999 ? >ALA~A 235 49.80 8.74 58.00 50.44 9.60 56.92 50.12 9.17 57.46 2 0 1000.00 -999 ? >GLU~A 236 54.11 10.15 61.72 55.78 8.86 61.06 54.95 9.51 61.39 2 0 1000.00 -999 ? >THR~A 237 49.79 6.50 63.03 48.10 6.97 64.27 48.94 6.73 63.65 2 0 1000.00 -999 ? >VAL~A 238 49.02 4.16 60.23 47.55 4.05 58.68 48.29 4.11 59.45 3 0 1000.00 -999 ? >LYS~A 239 52.75 3.61 59.50 57.10 7.09 58.69 54.93 5.35 59.09 2 0 1000.00 -999 ? >LYS~A 240 53.77 2.81 63.07 50.76 5.49 66.81 52.26 4.15 64.94 2 0 1000.00 -999 ? >THR~A 241 50.90 0.37 63.75 48.87 0.75 64.07 49.89 0.56 63.91 2 0 1000.00 -999 ? >ALA~A 242 51.92 -1.24 60.51 51.86 -0.66 59.12 51.89 -0.95 59.81 2 0 1000.00 -999 ? >PHE~A 243 57.54 -0.82 62.99 60.08 -1.69 64.07 58.81 -1.26 63.53 3 0 1000.00 -999 ? >LYS~A 244 54.44 -3.44 64.82 53.24 1.22 69.06 53.84 -1.11 66.94 2 0 1000.00 -999 ? >ILE~A 245 50.88 -5.36 62.23 49.49 -5.35 61.76 50.19 -5.35 61.99 3 0 1000.00 -999 ? >THR~A 246 54.83 -6.71 60.70 55.52 -5.72 58.95 55.17 -6.21 59.83 2 0 1000.00 -999 ? >ARG~A 247 59.76 -6.11 63.74 62.28 -4.69 62.90 61.03 -5.40 63.32 2 0 1000.00 -999 ? >ILE~A 248 53.33 -9.67 65.56 53.15 -9.35 66.34 53.24 -9.51 65.95 3 0 1000.00 -999 ? >GLY~A 249 54.61 -11.61 61.76 55.29 -11.39 62.26 54.95 -11.50 62.01 1 0 1000.00 -999 ? >GLN~A 250 59.04 -9.62 60.51 60.46 -8.00 60.33 59.75 -8.81 60.42 2 0 1000.00 -999 ? >LEU~A 251 58.44 -12.51 66.05 59.09 -13.35 67.85 58.76 -12.93 66.95 3 0 1000.00 -999 ? >VAL~A 252 55.92 -15.70 64.24 53.81 -15.82 64.57 54.87 -15.76 64.41 3 0 1000.00 -999 ? >GLY~A 253 57.63 -16.67 60.97 57.95 -16.58 61.71 57.79 -16.62 61.34 1 0 1000.00 -999 ? >GLN~A 254 63.24 -16.53 63.60 64.55 -15.14 64.61 63.89 -15.84 64.10 2 0 1000.00 -999 ? >MET?A 255 59.83 -19.48 65.24 58.11 -17.35 68.50 58.97 -18.41 66.87 2 0 1000.00 -999 ? >ALA~A 256 57.79 -21.53 62.81 56.65 -21.16 61.94 57.22 -21.35 62.38 2 0 1000.00 -999 ? >SER~A 257 60.86 -21.81 60.60 62.92 -21.13 59.66 61.89 -21.47 60.13 2 0 1000.00 -999 ? >GLU~A 258 64.86 -21.47 65.08 65.44 -19.43 64.54 65.15 -20.45 64.81 2 0 1000.00 -999 ? >ARG~A 259 59.32 -24.88 67.76 58.63 -22.32 69.36 58.98 -23.60 68.56 2 0 1000.00 -999 ? >LEU~A 260 59.19 -26.17 60.30 57.24 -26.36 61.18 58.22 -26.27 60.74 3 0 1000.00 -999 ? >GLY~A 261 63.73 -26.76 60.01 63.09 -26.43 59.58 63.41 -26.60 59.80 1 0 1000.00 -999 ? >VAL.A 262 62.75 -24.86 56.95 60.72 -25.50 56.53 61.74 -25.18 56.74 3 0 1000.00 -999 ? >GLU^A 263 65.63 -21.32 53.95 66.34 -19.97 52.41 65.99 -20.65 53.18 2 0 1000.00 -999 ? >PHE^A 264 60.59 -16.49 57.74 58.74 -14.35 57.82 59.67 -15.42 57.78 3 0 1000.00 -999 ? >GLY^A 265 60.08 -16.44 53.50 59.97 -16.12 54.27 60.03 -16.28 53.89 1 0 1000.00 -999 ? >ILE^A 266 57.91 -12.30 52.42 57.41 -12.27 51.80 57.66 -12.29 52.11 3 0 1000.00 -999 ? >VAL^A 267 55.29 -11.56 55.68 55.71 -10.52 57.56 55.50 -11.04 56.62 3 0 1000.00 -999 ? >ASP.A 268 50.93 -10.90 54.36 50.93 -11.65 52.35 50.93 -11.27 53.35 2 0 1000.00 -999 ? >LEU.A 269 49.23 -6.76 53.22 50.56 -5.06 52.24 49.89 -5.91 52.73 3 0 1000.00 -999 ? >SER.A 270 45.64 -6.55 56.22 44.66 -4.30 56.60 45.15 -5.42 56.41 2 0 1000.00 -999 ? >ALA.A 272 38.96 -8.94 57.28 37.71 -9.30 56.51 38.34 -9.12 56.89 2 0 1000.00 -999 ? >PRO.A 273 39.56 -8.38 61.56 39.15 -10.22 60.19 39.35 -9.30 60.88 3 0 1000.00 -999 ? >THR.A 274 36.59 -11.52 63.33 37.35 -11.77 65.34 36.97 -11.64 64.33 2 0 1000.00 -999 ? >SER~A 280 36.37 -4.51 58.88 34.74 -4.81 56.95 35.56 -4.66 57.91 2 0 1000.00 -999 ? >VAL~A 281 38.62 -2.57 56.59 39.91 -2.99 54.78 39.26 -2.78 55.68 3 0 1000.00 -999 ? >ALA~A 282 35.27 -0.80 56.03 33.96 -1.48 55.86 34.62 -1.14 55.94 2 0 1000.00 -999 ? >ARG~A 283 33.14 -1.81 61.04 30.23 -1.88 60.13 31.68 -1.85 60.58 2 0 1000.00 -999 ? >VAL~A 284 38.80 1.64 59.34 40.64 0.63 59.00 39.72 1.13 59.17 3 0 1000.00 -999 ? >LEU~A 285 37.53 3.36 54.92 39.09 2.34 53.60 38.31 2.85 54.26 3 0 1000.00 -999 ? >GLU~A 286 33.32 3.34 57.69 31.44 2.38 57.96 32.38 2.86 57.83 2 0 1000.00 -999 ? >GLU~A 287 38.66 5.63 63.14 37.47 6.64 64.60 38.07 6.14 63.87 2 0 1000.00 -999 ? >MET?A 288 39.31 8.20 58.91 42.02 6.28 56.35 40.66 7.24 57.63 2 0 1000.00 -999 ? >GLY~A 289 36.05 10.02 58.73 36.10 9.57 58.08 36.07 9.80 58.40 1 0 1000.00 -999 ? >LEU~A 290 34.10 7.97 54.92 35.68 8.49 53.50 34.89 8.23 54.21 3 0 1000.00 -999 ? >GLU~A 291 27.58 8.43 56.93 25.98 9.78 56.97 26.78 9.10 56.95 2 0 1000.00 -999 ? >THR~A 292 29.84 4.89 54.83 27.72 4.20 54.41 28.78 4.55 54.62 2 0 1000.00 -999 ? >VAL~A 293 32.58 2.97 52.92 33.11 0.80 52.80 32.84 1.89 52.86 3 0 1000.00 -999 ? >GLY~A 294 31.94 3.59 49.17 32.13 4.16 49.66 32.03 3.87 49.41 1 0 1000.00 -999 ? >THR~A 295 31.22 7.31 49.63 30.85 8.73 51.17 31.03 8.02 50.40 2 0 1000.00 -999 ? >HIS~A 296 31.76 11.19 46.75 30.20 10.65 45.46 30.98 10.92 46.11 3 0 1000.00 -999 ? >GLY~A 297 36.80 9.94 49.81 36.54 9.23 49.39 36.67 9.59 49.60 1 0 1000.00 -999 ? >THR~A 298 36.95 6.20 49.97 35.60 4.37 50.05 36.27 5.28 50.01 2 0 1000.00 -999 ? >THR~A 299 39.53 5.77 47.31 39.22 5.77 45.20 39.38 5.77 46.26 2 0 1000.00 -999 ? >ALA~A 300 41.79 8.37 48.80 41.57 9.80 49.05 41.68 9.08 48.92 2 0 1000.00 -999 ? >ALA~A 301 41.37 6.68 52.22 40.10 6.55 53.06 40.74 6.61 52.64 2 0 1000.00 -999 ? >LEU~A 302 41.44 2.32 50.02 41.43 0.03 49.70 41.43 1.17 49.86 3 0 1000.00 -999 ? >ALA~A 303 45.24 5.00 49.26 45.26 6.13 48.33 45.25 5.57 48.80 2 0 1000.00 -999 ? >LEU~A 304 45.82 7.30 53.30 46.62 8.79 54.39 46.22 8.04 53.84 3 0 1000.00 -999 ? >LEU~A 305 44.56 2.49 54.35 44.19 0.55 55.42 44.38 1.52 54.88 3 0 1000.00 -999 ? >ASN~A 306 46.98 0.78 50.42 48.23 -0.48 49.20 47.60 0.15 49.81 2 0 1000.00 -999 ? >ASP~A 307 50.60 4.55 50.72 52.53 5.27 50.12 51.57 4.91 50.42 2 0 1000.00 -999 ? >GLN~A 308 50.51 6.05 55.13 52.41 7.07 55.06 51.46 6.56 55.09 2 0 1000.00 -999 ? >VAL~A 309 50.98 0.06 55.62 49.38 -1.55 55.90 50.18 -0.74 55.76 3 0 1000.00 -999 ? >LYS~A 310 53.39 -0.90 52.88 51.53 -0.06 48.44 52.46 -0.48 50.66 2 0 1000.00 -999 ? >LYS~A 311 55.87 1.57 54.26 54.94 7.06 52.31 55.40 4.32 53.29 2 0 1000.00 -999 ? >GLY~A 312 55.63 0.42 57.80 55.74 -0.01 57.06 55.69 0.20 57.43 1 0 1000.00 -999 ? >GLY~A 313 56.30 -2.98 56.36 56.76 -2.25 56.31 56.53 -2.62 56.34 1 0 1000.00 -999 ? >VAL~A 314 59.53 -1.91 54.76 59.57 -0.84 52.82 59.55 -1.38 53.79 3 0 1000.00 -999 ? >MET?A 315 60.57 -0.26 57.90 59.50 3.08 60.26 60.03 1.41 59.08 2 0 1000.00 -999 ? >ALA~A 316 61.08 -3.79 59.29 59.78 -4.04 59.98 60.43 -3.91 59.64 2 0 1000.00 -999 ? >CYH~A 317 61.53 -5.77 56.06 63.10 -6.97 54.32 62.31 -6.37 55.19 2 0 1000.00 -999 ? >GLU~A 334 30.72 -7.39 60.54 32.21 -7.99 62.14 31.47 -7.69 61.34 2 0 1000.00 -999 ? >GLY~A 335 31.19 -3.00 56.96 31.15 -3.69 56.41 31.17 -3.34 56.69 1 0 1000.00 -999 ? >MET?A 336 31.36 -4.09 53.38 34.30 -3.11 51.91 32.83 -3.60 52.65 2 0 1000.00 -999 ? >ILE~A 337 27.97 -7.68 53.87 28.19 -8.66 55.12 28.08 -8.17 54.49 3 0 1000.00 -999 ? >ALA~A 338 26.45 -3.66 55.00 26.81 -3.15 56.43 26.63 -3.40 55.72 2 0 1000.00 -999 ? >ALA~A 339 27.23 -0.94 52.36 28.55 -0.17 52.30 27.89 -0.56 52.33 2 0 1000.00 -999 ? >VAL~A 340 26.44 -3.30 49.62 27.24 -5.01 48.58 26.84 -4.15 49.10 3 0 1000.00 -999 ? >GLN~A 341 22.39 -5.39 52.05 22.88 -6.49 53.83 22.64 -5.94 52.94 2 0 1000.00 -999 ? >ASN~A 342 22.92 1.33 53.09 25.08 1.14 53.07 24.00 1.23 53.08 2 0 1000.00 -999 ? >GLY~A 343 23.44 0.79 48.34 23.81 1.06 49.05 23.63 0.93 48.70 1 0 1000.00 -999 ? >SER~A 344 26.48 2.72 49.45 27.75 4.01 50.97 27.11 3.37 50.21 2 0 1000.00 -999 ? >LEU~A 345 29.50 -0.74 48.66 31.55 -1.00 48.56 30.53 -0.87 48.61 3 0 1000.00 -999 ? >ASN~A 346 29.28 0.80 43.53 27.76 1.39 42.34 28.52 1.10 42.94 2 0 1000.00 -999 ? >LEU~A 347 29.70 -4.02 40.82 30.97 -5.53 39.77 30.33 -4.78 40.30 3 0 1000.00 -999 ? >GLU~A 348 30.06 0.89 39.49 28.70 -0.55 38.69 29.38 0.17 39.09 2 0 1000.00 -999 ? >LYS~A 349 33.35 1.43 43.32 35.14 6.33 45.48 34.24 3.88 44.40 2 0 1000.00 -999 ? >LEU~A 350 34.49 -3.19 44.54 33.19 -3.86 46.07 33.84 -3.52 45.31 3 0 1000.00 -999 ? >GLU~A 351 36.27 -2.36 38.40 35.80 -1.48 36.43 36.03 -1.92 37.42 2 0 1000.00 -999 ? >ALA~A 352 37.79 1.72 41.33 36.95 2.92 41.60 37.37 2.32 41.46 2 0 1000.00 -999 ? >MET?A 353 39.40 0.93 44.63 36.35 0.49 47.55 37.87 0.71 46.09 2 0 1000.00 -999 ? >THR~A 354 41.37 -1.77 43.08 40.10 -3.21 42.09 40.74 -2.49 42.58 2 0 1000.00 -999 ? >ALA~A 355 43.36 0.96 41.33 42.83 2.21 40.71 43.09 1.59 41.02 2 0 1000.00 -999 ? >ILE~A 356 44.48 3.27 45.12 43.87 3.53 45.57 44.17 3.40 45.34 3 0 1000.00 -999 ? >CYH~A 357 45.23 -1.34 46.50 44.90 -1.12 49.23 45.06 -1.23 47.87 2 0 1000.00 -999 ? >ASP~A 362 36.79 -8.52 45.73 38.45 -7.66 44.57 37.62 -8.09 45.15 2 0 1000.00 -999 ? >MET?A 363 34.38 -12.11 47.32 34.50 -15.90 48.44 34.44 -14.01 47.88 2 0 1000.00 -999 ? >ILE~A 364 31.94 -9.64 44.11 32.30 -9.46 43.35 32.12 -9.55 43.73 3 0 1000.00 -999 ? >ALA~A 365 28.57 -12.81 44.25 27.74 -13.49 45.27 28.15 -13.15 44.76 2 0 1000.00 -999 ? >ILE~A 366 27.41 -11.63 39.79 28.71 -12.01 39.34 28.06 -11.82 39.56 3 0 1000.00 -999 ? >PRO~A 367 22.66 -11.17 39.24 23.90 -12.96 39.79 23.28 -12.07 39.51 3 0 1000.00 -999 ? >GLU~A 368 22.91 -19.24 38.24 21.80 -20.56 39.38 22.36 -19.90 38.81 2 0 1000.00 -999 ? >ASP~A 369 20.70 -15.98 34.82 20.57 -14.08 35.81 20.63 -15.03 35.31 2 0 1000.00 -999 ? >THR~A 370 24.62 -13.86 33.80 25.67 -13.06 35.40 25.15 -13.46 34.60 2 0 1000.00 -999 ? >PRO~A 371 25.15 -13.06 29.76 26.12 -14.42 31.22 25.63 -13.74 30.49 3 0 1000.00 -999 ? >ALA~A 372 30.10 -16.09 30.46 30.54 -17.30 29.73 30.32 -16.69 30.10 2 0 1000.00 -999 ? >GLU~A 373 30.85 -13.68 26.03 29.41 -15.17 25.89 30.13 -14.42 25.96 2 0 1000.00 -999 ? >THR~A 374 29.99 -10.71 31.17 28.19 -9.78 31.84 29.09 -10.24 31.50 2 0 1000.00 -999 ? >ILE~A 375 32.05 -14.01 34.04 31.79 -15.00 35.17 31.92 -14.51 34.60 3 0 1000.00 -999 ? >ALA~A 376 35.15 -12.54 31.31 35.07 -13.12 30.02 35.11 -12.83 30.66 2 0 1000.00 -999 ? >ALA~A 377 34.63 -8.77 30.63 33.45 -8.15 30.05 34.04 -8.46 30.34 2 0 1000.00 -999 ? >MET?A 378 34.56 -8.33 34.38 31.26 -9.43 36.83 32.91 -8.88 35.61 2 0 1000.00 -999 ? >ILE~A 379 38.14 -11.66 34.21 38.41 -13.04 34.81 38.28 -12.35 34.51 3 0 1000.00 -999 ? >ALA~A 380 39.14 -8.22 31.73 38.67 -8.18 30.36 38.90 -8.20 31.05 2 0 1000.00 -999 ? >ASP~A 381 37.03 -4.48 33.90 35.92 -3.84 32.17 36.48 -4.16 33.04 2 0 1000.00 -999 ? >GLU~A 382 38.66 -6.60 38.58 39.44 -5.36 40.03 39.05 -5.98 39.30 2 0 1000.00 -999 ? >ALA~A 383 43.07 -7.45 34.70 42.88 -8.30 33.67 42.98 -7.88 34.19 2 0 1000.00 -999 ? >ALA~A 384 43.49 -4.06 32.98 42.62 -3.37 31.93 43.06 -3.72 32.46 2 0 1000.00 -999 ? >ILE~A 385 42.64 -2.17 37.51 42.09 -0.90 37.57 42.36 -1.53 37.54 3 0 1000.00 -999 ? >GLY~A 386 46.39 -4.16 37.54 46.27 -4.01 36.75 46.33 -4.09 37.14 1 0 1000.00 -999 ? >VAL~A 387 48.15 -4.68 34.35 48.25 -6.11 32.74 48.20 -5.40 33.55 3 0 1000.00 -999 ? >ILE~A 388 47.79 -0.15 32.38 47.26 0.30 32.45 47.53 0.08 32.42 3 0 1000.00 -999 ? >ASN~A 389 48.14 0.34 38.04 46.97 1.89 37.08 47.55 1.11 37.56 2 0 1000.00 -999 ? >MET?A 390 51.64 -3.07 38.02 54.90 -0.76 36.77 53.27 -1.91 37.40 2 0 1000.00 -999 ? >LYS~A 391 49.29 -3.97 40.83 48.65 0.16 44.19 48.97 -1.91 42.51 2 0 1000.00 -999 ? >THR~A 392 48.21 -7.52 41.63 48.97 -9.24 42.53 48.59 -8.38 42.08 2 0 1000.00 -999 ? >THR^A 393 44.51 -8.17 41.05 44.40 -6.79 39.48 44.45 -7.48 40.27 2 0 1000.00 -999 ? >ALA^A 394 42.29 -11.08 41.93 42.84 -11.49 43.25 42.56 -11.29 42.59 2 0 1000.00 -999 ? >VAL^A 395 38.63 -11.72 41.08 37.86 -10.84 39.40 38.24 -11.28 40.24 3 0 1000.00 -999 ? >ARG^A 396 36.47 -16.47 45.91 38.62 -16.27 48.10 37.54 -16.37 47.00 2 0 1000.00 -999 ? >ILE^A 397 32.93 -14.02 39.63 32.74 -12.71 38.83 32.84 -13.36 39.23 3 0 1000.00 -999 ? >ILE^A 398 30.11 -16.28 44.11 30.87 -17.33 44.55 30.49 -16.81 44.33 3 0 1000.00 -999 ? >PRO^A 399 29.15 -17.47 38.73 28.15 -16.64 40.59 28.65 -17.05 39.66 3 0 1000.00 -999 ? >LYS~A 400 24.66 -17.95 42.38 26.75 -23.31 42.93 25.71 -20.63 42.65 2 0 1000.00 -999 ? >GLY~A 401 21.03 -16.81 42.87 21.47 -16.55 42.34 21.25 -16.68 42.61 1 0 1000.00 -999 ? >LYS~A 402 19.23 -13.61 41.97 13.85 -14.56 41.05 16.54 -14.09 41.51 2 0 1000.00 -999 ? >GLU~A 403 18.57 -7.48 41.98 19.44 -6.26 40.50 19.00 -6.87 41.24 2 0 1000.00 -999 ? >GLY~A 404 19.23 -9.52 45.80 19.32 -10.24 45.67 19.28 -9.88 45.73 1 0 1000.00 -999 ? >ASP~A 405 20.07 -14.19 46.87 18.47 -14.77 45.64 19.27 -14.48 46.26 2 0 1000.00 -999 ? >MET?A 406 22.28 -13.72 50.38 22.59 -10.81 52.13 22.44 -12.27 51.26 2 0 1000.00 -999 ? >GLU~A 408 24.04 -17.15 54.21 22.86 -18.87 53.74 23.45 -18.01 53.98 2 0 1000.00 -999 ? >ALA~A 416 26.63 -12.70 51.43 25.57 -12.01 52.44 26.10 -12.35 51.94 2 0 1000.00 -999 ? >PRO~A 417 25.78 -8.57 49.76 25.49 -10.76 49.31 25.64 -9.66 49.53 3 0 1000.00 -999 ? >VAL~A 418 24.23 -10.70 45.19 23.33 -12.41 44.16 23.78 -11.55 44.67 3 0 1000.00 -999 ? >MET?A 419 24.95 -7.50 43.23 28.72 -6.46 44.98 26.83 -6.98 44.10 2 0 1000.00 -999 ? >VAL~A 421 25.33 -6.56 36.91 26.20 -8.56 36.43 25.77 -7.56 36.67 3 0 1000.00 -999 ? >ASN~A 422 26.40 -3.63 33.22 25.78 -1.97 32.08 26.09 -2.80 32.65 2 0 1000.00 -999 ? >GLY~A 423 23.02 -6.15 31.21 23.42 -5.48 30.92 23.22 -5.81 31.06 1 0 1000.00 -999 ? >ALA~A 424 24.50 -4.44 28.23 25.06 -3.05 28.19 24.78 -3.74 28.21 2 0 1000.00 -999 ? >SER~A 425 26.18 -7.36 26.42 26.43 -8.99 24.78 26.30 -8.17 25.60 2 0 1000.00 -999 ? >SER~A 426 29.96 -7.75 26.26 30.22 -6.92 28.51 30.09 -7.34 27.38 2 0 1000.00 -999 ? >VAL~A 427 29.74 -10.72 23.89 28.24 -12.24 23.31 28.99 -11.48 23.60 3 0 1000.00 -999 ? >ASP~A 428 30.79 -8.27 19.86 29.22 -9.15 18.76 30.01 -8.71 19.31 2 0 1000.00 -999 ? >PHE~A 429 35.45 -6.50 24.58 37.70 -5.41 25.93 36.57 -5.95 25.26 3 0 1000.00 -999 ? >ILE~A 430 34.07 -11.74 25.59 35.06 -11.82 26.77 34.56 -11.78 26.18 3 0 1000.00 -999 ? >SER~A 431 34.62 -13.04 21.19 32.48 -13.72 20.53 33.55 -13.38 20.86 2 0 1000.00 -999 ? >ARG~A 432 37.88 -7.70 19.22 36.74 -5.90 17.05 37.31 -6.80 18.13 2 0 1000.00 -999 ? >GLY~A 433 40.23 -13.64 21.53 40.35 -12.92 21.21 40.29 -13.28 21.37 1 0 1000.00 -999 ? >GLY~A 434 44.06 -13.30 21.40 43.69 -13.23 22.10 43.87 -13.27 21.75 1 0 1000.00 -999 ? >GLN^A 435 48.83 -11.33 24.43 48.49 -12.77 25.92 48.66 -12.05 25.17 2 0 1000.00 -999 ? >ILE^A 436 45.48 -7.04 25.51 44.46 -6.10 25.90 44.97 -6.57 25.70 3 0 1000.00 -999 ? >PRO~A 437 49.28 -5.56 22.40 49.31 -6.62 24.35 49.30 -6.09 23.37 3 0 1000.00 -999 ? >ALA~A 438 52.49 -4.37 26.29 51.87 -3.18 25.80 52.18 -3.78 26.04 2 0 1000.00 -999 ? >PRO~A 439 51.28 -2.27 30.23 51.65 -2.64 28.10 51.47 -2.46 29.16 3 0 1000.00 -999 ? >ALA~B 0 56.81 16.17 8.90 55.99 16.73 7.87 56.40 16.45 8.38 2 0 1000.00 -999 ? >MET?B 1 60.49 17.03 9.31 62.83 18.88 10.64 61.66 17.96 9.97 2 0 1000.00 -999 ? >ASP~B 2 63.74 15.07 6.12 63.26 13.01 6.49 63.50 14.04 6.30 2 0 1000.00 -999 ? >ILE~B 3 61.51 16.03 1.43 62.47 17.08 1.81 61.99 16.56 1.62 3 0 1000.00 -999 ? >ARG~B 4 60.67 8.62 3.12 62.53 6.15 3.74 61.60 7.39 3.43 2 0 1000.00 -999 ? >GLN~B 5 57.81 12.42 8.85 57.26 14.00 10.31 57.53 13.21 9.58 2 0 1000.00 -999 ? >VAL~B 6 56.36 15.56 5.00 56.99 17.64 4.56 56.67 16.60 4.78 3 0 1000.00 -999 ? >THR~B 7 55.55 13.67 1.89 56.60 13.15 0.13 56.07 13.41 1.01 2 0 1000.00 -999 ? >GLU~B 8 55.11 8.61 4.54 56.97 8.08 5.22 56.04 8.35 4.88 2 0 1000.00 -999 ? >THR~B 9 52.30 13.01 5.77 52.51 13.94 7.64 52.40 13.48 6.71 2 0 1000.00 -999 ? >ILE~B 10 50.97 15.93 1.99 52.44 16.86 1.91 51.70 16.40 1.95 3 0 1000.00 -999 ? >ALA~B 11 49.97 11.13 1.61 50.93 9.98 1.49 50.45 10.56 1.55 2 0 1000.00 -999 ? >MET?B 12 48.10 10.44 4.81 50.87 9.75 7.96 49.48 10.10 6.38 2 0 1000.00 -999 ? >ILE~B 13 46.39 15.27 4.66 47.00 16.39 4.15 46.70 15.83 4.40 3 0 1000.00 -999 ? >GLU~B 14 46.31 13.20 -0.27 47.00 13.12 -2.32 46.66 13.16 -1.29 2 0 1000.00 -999 ? >GLU~B 15 44.89 6.93 3.68 46.96 7.39 4.21 45.92 7.16 3.94 2 0 1000.00 -999 ? >GLN~B 16 42.02 7.69 7.28 43.74 6.52 7.97 42.88 7.11 7.62 2 0 1000.00 -999 ? >ASN~B 17 38.65 13.17 7.22 38.01 12.87 5.28 38.33 13.02 6.25 2 0 1000.00 -999 ? >PHE~B 18 44.01 12.87 9.84 44.95 10.33 9.32 44.48 11.60 9.58 3 0 1000.00 -999 ? >ASP~B 19 40.04 17.62 12.56 39.65 15.89 13.69 39.85 16.76 13.13 2 0 1000.00 -999 ? >ILE^B 20 44.28 20.93 14.22 45.47 20.26 14.39 44.87 20.59 14.30 3 0 1000.00 -999 ? >ARG^B 21 40.06 18.19 21.31 39.14 15.45 19.89 39.60 16.82 20.60 2 0 1000.00 -999 ? >THR^B 22 44.04 22.76 19.15 44.86 23.16 21.10 44.45 22.96 20.12 2 0 1000.00 -999 ? >ILE^B 23 47.30 25.67 17.12 48.15 25.92 15.86 47.72 25.79 16.49 3 0 1000.00 -999 ? >THR^B 24 48.30 26.37 21.57 47.61 25.71 23.44 47.96 26.04 22.50 2 0 1000.00 -999 ? >MET?B 25 51.03 28.90 21.97 52.48 32.81 20.52 51.76 30.86 21.24 2 0 1000.00 -999 ? >GLY^B 26 52.62 29.03 25.42 52.95 29.41 24.73 52.79 29.22 25.08 1 0 1000.00 -999 ? >ILE^B 27 53.39 33.88 26.25 53.49 34.20 25.11 53.44 34.04 25.68 3 0 1000.00 -999 ? >SER~B 28 56.44 33.02 29.47 58.51 33.18 30.75 57.48 33.10 30.11 2 0 1000.00 -999 ? >LEU~B 29 54.02 36.23 32.13 52.26 36.25 30.85 53.14 36.24 31.49 3 0 1000.00 -999 ? >LEU~B 30 59.50 35.13 34.00 58.74 33.40 35.00 59.12 34.27 34.50 3 0 1000.00 -999 ? >ASP~B 31 60.32 39.24 30.79 58.93 39.18 29.18 59.62 39.21 29.99 2 0 1000.00 -999 ? >CYH~B 32 56.44 40.96 33.06 55.01 40.31 30.64 55.73 40.64 31.85 2 0 1000.00 -999 ? >ILE~B 33 57.98 39.94 37.54 58.14 38.98 38.57 58.06 39.46 38.05 3 0 1000.00 -999 ? >ASP~B 34 55.71 45.02 37.55 56.46 46.87 37.72 56.09 45.95 37.64 2 0 1000.00 -999 ? >PRO~B 35 57.84 46.18 42.15 56.28 44.82 41.39 57.06 45.50 41.77 3 0 1000.00 -999 ? >ASP~B 36 53.61 48.67 40.14 51.88 49.81 39.75 52.75 49.24 39.94 2 0 1000.00 -999 ? >ILE~B 37 49.57 44.53 40.62 48.38 44.06 40.82 48.97 44.30 40.72 3 0 1000.00 -999 ? >ASN~B 38 48.38 48.63 37.42 46.93 48.39 38.98 47.65 48.51 38.20 2 0 1000.00 -999 ? >ARG~B 39 55.07 50.41 35.01 55.40 49.53 31.95 55.23 49.97 33.48 2 0 1000.00 -999 ? >ALA~B 40 52.48 44.07 35.48 52.53 43.08 36.69 52.50 43.58 36.08 2 0 1000.00 -999 ? >ALA~B 41 48.97 43.97 33.96 47.80 44.58 34.51 48.39 44.27 34.24 2 0 1000.00 -999 ? >GLU~B 42 50.32 48.66 30.26 48.85 48.00 28.86 49.59 48.33 29.56 2 0 1000.00 -999 ? >LYS~B 43 53.34 44.15 30.51 58.19 46.27 34.21 55.76 45.21 32.36 2 0 1000.00 -999 ? >ILE~B 44 50.38 40.28 31.36 49.91 39.31 32.26 50.15 39.80 31.81 3 0 1000.00 -999 ? >TYR~B 45 47.24 44.16 26.94 45.79 45.00 24.69 46.52 44.58 25.82 3 0 1000.00 -999 ? >GLN~B 46 52.35 46.37 26.01 51.31 47.17 24.24 51.83 46.77 25.13 2 0 1000.00 -999 ? >LYS~B 47 53.31 40.90 25.50 57.85 36.92 27.59 55.58 38.91 26.54 2 0 1000.00 -999 ? >ILE~B 48 49.41 38.08 25.44 48.69 37.18 26.14 49.05 37.63 25.79 3 0 1000.00 -999 ? >THR~B 49 49.25 40.75 21.94 48.48 42.56 22.86 48.86 41.66 22.40 2 0 1000.00 -999 ? >THR~B 50 52.76 40.96 20.38 54.40 42.29 20.86 53.58 41.62 20.62 2 0 1000.00 -999 ? >LYS~B 51 53.83 37.42 20.49 58.82 38.11 21.62 56.32 37.77 21.06 2 0 1000.00 -999 ? >ALA~B 52 50.49 35.93 19.52 49.64 35.34 20.51 50.06 35.64 20.01 2 0 1000.00 -999 ? >ALA~B 53 49.44 38.64 17.09 50.24 39.88 16.67 49.84 39.26 16.88 2 0 1000.00 -999 ? >ASN~B 54 50.72 36.16 13.22 51.15 38.10 12.63 50.94 37.13 12.93 2 0 1000.00 -999 ? >LEU~B 55 48.24 32.91 17.28 48.15 31.00 18.25 48.20 31.96 17.76 3 0 1000.00 -999 ? >VAL~B 56 44.99 32.79 14.47 43.34 33.53 15.61 44.17 33.16 15.04 3 0 1000.00 -999 ? >ALA~B 57 45.79 34.04 11.00 46.56 35.23 10.59 46.17 34.64 10.79 2 0 1000.00 -999 ? >VAL~B 58 48.51 31.45 10.63 50.61 31.27 10.94 49.56 31.36 10.79 3 0 1000.00 -999 ? >GLY~B 59 46.34 28.74 12.12 46.26 29.27 11.47 46.30 29.00 11.79 1 0 1000.00 -999 ? >ASP~B 60 42.94 30.85 9.47 41.36 30.77 10.92 42.15 30.81 10.19 2 0 1000.00 -999 ? >GLU~B 61 47.59 31.67 6.20 49.42 32.59 6.86 48.50 32.13 6.53 2 0 1000.00 -999 ? >ILE~B 62 48.16 25.87 9.02 49.49 25.41 9.60 48.82 25.64 9.31 3 0 1000.00 -999 ? >ALA~B 63 44.06 24.77 7.80 42.95 25.39 8.56 43.51 25.08 8.18 2 0 1000.00 -999 ? >ALA~B 64 43.47 26.22 4.30 43.55 27.72 3.88 43.51 26.97 4.09 2 0 1000.00 -999 ? >GLU~B 65 48.24 26.36 2.45 49.87 27.42 3.23 49.05 26.89 2.84 2 0 1000.00 -999 ? >LEU~B 66 46.57 20.72 5.64 48.70 21.12 6.08 47.63 20.92 5.86 3 0 1000.00 -999 ? >GLY~B 67 42.39 21.09 3.66 42.82 20.88 4.36 42.60 20.99 4.01 1 0 1000.00 -999 ? >ILE~B 68 42.52 19.29 7.79 43.78 18.60 7.84 43.15 18.94 7.81 3 0 1000.00 -999 ? >PRO~B 69 38.29 20.10 10.17 39.92 21.55 9.52 39.10 20.82 9.84 3 0 1000.00 -999 ? >ILE^B 70 42.55 24.54 12.92 44.04 24.60 12.95 43.30 24.57 12.94 3 0 1000.00 -999 ? >VAL^B 71 38.64 23.84 15.82 37.69 22.09 16.86 38.16 22.97 16.34 3 0 1000.00 -999 ? >ASN^B 72 40.49 25.30 19.73 38.47 24.97 20.20 39.48 25.14 19.97 2 0 1000.00 -999 ? >LYS^B 73 43.47 28.39 18.76 41.21 28.39 14.35 42.34 28.39 16.56 2 0 1000.00 -999 ? >ARG^B 74 42.64 26.04 23.92 40.99 23.35 24.14 41.82 24.69 24.03 2 0 1000.00 -999 ? >VAL^B 75 47.39 30.47 24.41 48.10 32.59 24.30 47.75 31.53 24.35 3 0 1000.00 -999 ? >SER^B 76 48.73 29.41 27.80 49.87 27.41 27.71 49.30 28.41 27.75 2 0 1000.00 -999 ? >VAL^B 77 50.90 31.26 30.28 49.47 32.90 30.24 50.19 32.08 30.26 3 0 1000.00 -999 ? >THR~B 78 53.06 31.21 33.40 54.87 32.26 33.79 53.96 31.73 33.60 2 0 1000.00 -999 ? >PRO~B 79 52.08 28.28 36.49 51.43 30.35 35.84 51.75 29.31 36.16 3 0 1000.00 -999 ? >ILE~B 80 48.23 34.42 37.04 48.73 35.48 36.38 48.48 34.95 36.71 3 0 1000.00 -999 ? >SER~B 81 50.32 33.09 41.08 50.60 30.73 41.26 50.46 31.91 41.17 2 0 1000.00 -999 ? >LEU~B 82 54.91 32.76 39.63 55.75 30.94 40.17 55.33 31.85 39.90 3 0 1000.00 -999 ? >ILE~B 83 52.58 37.10 37.54 53.65 37.31 36.54 53.11 37.21 37.04 3 0 1000.00 -999 ? >GLY~B 84 50.86 37.84 41.58 51.64 37.57 41.57 51.25 37.71 41.58 1 0 1000.00 -999 ? >ALA~B 85 53.42 36.77 44.12 54.23 35.45 44.15 53.82 36.11 44.13 2 0 1000.00 -999 ? >ALA~B 86 55.87 39.50 43.18 56.46 39.79 41.86 56.16 39.65 42.52 2 0 1000.00 -999 ? >THR~B 87 53.06 41.87 44.35 51.39 42.29 43.17 52.23 42.08 43.76 2 0 1000.00 -999 ? >ASP~B 88 51.39 44.51 48.08 53.10 44.79 49.22 52.25 44.65 48.65 2 0 1000.00 -999 ? >ALA~B 89 47.91 42.72 45.90 47.62 42.44 44.40 47.76 42.58 45.15 2 0 1000.00 -999 ? >THR~B 90 45.34 41.08 47.91 43.91 42.16 49.12 44.63 41.62 48.52 2 0 1000.00 -999 ? >ASP~B 91 42.25 39.83 44.98 41.86 41.48 43.64 42.05 40.65 44.31 2 0 1000.00 -999 ? >TYR~B 92 46.83 37.67 42.26 48.88 37.32 44.14 47.85 37.50 43.20 3 0 1000.00 -999 ? >VAL~B 93 41.63 39.46 39.35 39.51 39.70 39.90 40.57 39.58 39.63 3 0 1000.00 -999 ? >VAL~B 94 43.26 42.48 37.71 44.89 43.85 38.32 44.07 43.17 38.01 3 0 1000.00 -999 ? >LEU~B 95 46.76 39.16 37.00 48.65 40.11 37.49 47.71 39.63 37.24 3 0 1000.00 -999 ? >ALA~B 96 42.97 37.73 34.99 41.79 37.13 35.77 42.38 37.43 35.38 2 0 1000.00 -999 ? >LYS~B 97 41.64 40.87 33.17 36.70 43.26 35.74 39.17 42.07 34.46 2 0 1000.00 -999 ? >ALA~B 98 44.94 41.53 31.42 46.24 41.61 31.97 45.59 41.57 31.70 2 0 1000.00 -999 ? >LEU~B 99 44.73 36.62 30.81 46.56 35.67 31.61 45.65 36.14 31.21 3 0 1000.00 -999 ? >ASP~B 100 39.71 38.70 29.79 37.99 37.58 29.15 38.85 38.14 29.47 2 0 1000.00 -999 ? >LYS~B 101 41.70 41.59 27.09 41.93 46.63 30.65 41.82 44.11 28.87 2 0 1000.00 -999 ? >ALA~B 102 44.80 40.09 25.50 45.93 39.46 26.12 45.37 39.78 25.81 2 0 1000.00 -999 ? >ALA~B 103 42.75 37.08 24.43 41.89 36.16 25.27 42.32 36.62 24.85 2 0 1000.00 -999 ? >LYS~B 104 39.93 39.17 23.05 35.83 40.08 27.67 37.88 39.62 25.36 2 0 1000.00 -999 ? >GLU~B 105 44.47 42.54 20.88 44.00 44.29 19.86 44.23 43.42 20.37 2 0 1000.00 -999 ? >ILE~B 106 45.37 37.69 19.98 46.25 37.40 21.07 45.81 37.54 20.52 3 0 1000.00 -999 ? >GLY~B 107 41.04 36.45 18.74 41.61 36.17 19.21 41.32 36.31 18.97 1 0 1000.00 -999 ? >VAL~B 108 41.78 33.16 20.56 43.67 33.34 21.49 42.73 33.25 21.03 3 0 1000.00 -999 ? >ASP~B 109 38.98 29.53 21.67 38.86 29.36 19.44 38.92 29.44 20.56 2 0 1000.00 -999 ? >PHE^B 110 39.00 29.10 26.13 36.24 28.74 26.51 37.62 28.92 26.32 3 0 1000.00 -999 ? >ILE^B 111 44.26 33.01 27.36 44.75 34.26 27.73 44.51 33.63 27.55 3 0 1000.00 -999 ? >GLY^B 112 44.95 29.28 30.29 45.49 29.91 30.07 45.22 29.59 30.18 1 0 1000.00 -999 ? >GLY^B 113 47.14 29.67 33.31 46.47 30.07 33.47 46.80 29.87 33.39 1 0 1000.00 -999 ? >PHE^B 114 43.73 33.26 36.97 43.24 35.14 39.07 43.49 34.20 38.02 3 0 1000.00 -999 ? >SER^B 115 46.86 28.78 38.05 46.56 27.76 35.93 46.71 28.27 36.99 2 0 1000.00 -999 ? >ALA^B 116 48.53 27.69 41.16 47.99 28.21 42.45 48.26 27.95 41.80 2 0 1000.00 -999 ? >LEU^B 117 51.97 24.55 41.24 51.91 24.53 38.86 51.94 24.54 40.05 3 0 1000.00 -999 ? >VAL~B 118 50.33 23.91 45.64 48.27 24.79 45.71 49.30 24.35 45.68 3 0 1000.00 -999 ? >GLN~B 119 51.59 19.61 43.82 53.03 21.01 43.14 52.31 20.31 43.48 2 0 1000.00 -999 ? >LYS~B 120 53.94 20.81 48.58 59.39 21.03 46.09 56.66 20.92 47.34 2 0 1000.00 -999 ? >GLY~B 121 51.91 23.40 50.53 52.01 23.54 49.74 51.96 23.47 50.14 1 0 1000.00 -999 ? >TYR~B 122 48.40 27.23 50.40 45.77 26.36 49.85 47.08 26.79 50.12 3 0 1000.00 -999 ? >GLN~B 123 55.80 27.84 49.42 56.81 29.35 50.96 56.31 28.59 50.19 2 0 1000.00 -999 ? >LYS~B 124 53.68 33.18 48.76 54.04 38.66 48.28 53.86 35.92 48.52 2 0 1000.00 -999 ? >GLY~B 125 50.93 33.90 46.11 50.74 33.35 46.66 50.84 33.63 46.39 1 0 1000.00 -999 ? >ASP~B 126 49.60 29.30 46.75 51.15 28.66 45.53 50.37 28.98 46.14 2 0 1000.00 -999 ? >GLU~B 127 45.78 30.28 50.48 45.82 30.40 52.58 45.80 30.34 51.53 2 0 1000.00 -999 ? >ILE~B 128 46.60 36.32 46.82 46.65 36.86 47.45 46.63 36.59 47.13 3 0 1000.00 -999 ? >LEU~B 129 46.63 32.53 42.95 46.10 32.06 40.80 46.37 32.29 41.88 3 0 1000.00 -999 ? >ILE~B 130 43.48 29.40 45.51 43.59 27.92 45.77 43.54 28.66 45.64 3 0 1000.00 -999 ? >ASN~B 131 40.73 33.53 47.84 40.93 32.03 49.25 40.83 32.78 48.54 2 0 1000.00 -999 ? >SER~B 132 40.78 35.13 43.28 42.65 36.54 43.49 41.71 35.83 43.39 2 0 1000.00 -999 ? >ILE~B 133 39.69 30.72 41.47 40.30 29.51 40.83 39.99 30.12 41.15 3 0 1000.00 -999 ? >PRO~B 134 35.85 31.81 44.03 36.32 32.63 42.03 36.09 32.22 43.03 3 0 1000.00 -999 ? >ARG~B 135 35.86 40.17 42.77 36.80 42.91 41.51 36.33 41.54 42.14 2 0 1000.00 -999 ? >ALA~B 136 38.20 36.17 38.29 39.59 35.69 38.40 38.90 35.93 38.34 2 0 1000.00 -999 ? >LEU~B 137 36.26 32.02 36.82 37.95 30.67 36.23 37.11 31.35 36.53 3 0 1000.00 -999 ? >ALA~B 138 33.04 35.41 36.68 32.30 35.74 37.96 32.67 35.58 37.32 2 0 1000.00 -999 ? >GLU~B 139 34.22 39.95 37.53 35.09 41.26 38.98 34.65 40.61 38.25 2 0 1000.00 -999 ? >THR~B 140 36.40 37.35 32.27 38.12 36.82 33.43 37.26 37.09 32.85 2 0 1000.00 -999 ? >ASP~B 141 34.55 36.04 28.22 33.08 37.43 28.79 33.82 36.73 28.50 2 0 1000.00 -999 ? >LYS~B 142 38.08 33.69 27.82 37.07 34.86 22.10 37.57 34.27 24.96 2 0 1000.00 -999 ? >VAL^B 143 40.35 32.96 30.83 41.58 34.40 31.93 40.97 33.68 31.38 3 0 1000.00 -999 ? >CYH^B 144 40.76 29.50 32.40 40.00 28.08 30.30 40.38 28.79 31.35 2 0 1000.00 -999 ? >SER^B 145 42.10 28.44 35.60 42.10 28.91 37.92 42.10 28.68 36.76 2 0 1000.00 -999 ? >SER^B 146 43.78 25.33 37.04 45.62 25.19 35.57 44.70 25.26 36.31 2 0 1000.00 -999 ? >VAL^B 147 45.14 24.41 40.38 44.38 25.35 42.18 44.76 24.88 41.28 3 0 1000.00 -999 ? >ASN^B 148 48.78 21.31 40.23 49.57 19.33 40.39 49.18 20.32 40.31 2 0 1000.00 -999 ? >ILE^B 149 45.45 19.89 44.84 44.81 19.40 44.59 45.13 19.64 44.71 3 0 1000.00 -999 ? >GLY^B 150 49.12 16.79 44.47 49.09 17.04 43.69 49.11 16.92 44.08 1 0 1000.00 -999 ? >SER^B 151 51.92 14.89 42.81 54.06 15.70 43.70 52.99 15.30 43.26 2 0 1000.00 -999 ? >THR~B 152 53.47 11.51 43.02 53.69 10.00 41.70 53.58 10.75 42.36 2 0 1000.00 -999 ? >LYS~B 153 56.56 13.14 44.30 61.67 16.92 43.84 59.11 15.03 44.07 2 0 1000.00 -999 ? >SER~B 154 55.00 15.43 47.06 55.91 17.44 45.88 55.45 16.43 46.47 2 0 1000.00 -999 ? >GLY^B 155 51.79 13.59 47.78 51.82 14.33 47.42 51.81 13.96 47.60 1 0 1000.00 -999 ? >ILE^B 156 47.17 14.57 48.15 46.13 13.83 47.60 46.65 14.20 47.87 3 0 1000.00 -999 ? >ASN^B 157 48.41 20.03 49.43 47.84 21.58 50.84 48.13 20.81 50.14 2 0 1000.00 -999 ? >MET?B 158 44.49 18.12 51.43 43.13 15.06 50.47 43.81 16.59 50.95 2 0 1000.00 -999 ? >THR~B 159 44.38 21.58 53.02 45.39 22.89 54.30 44.88 22.23 53.66 2 0 1000.00 -999 ? >ALA~B 160 44.18 22.65 49.46 45.23 22.86 48.50 44.71 22.76 48.98 2 0 1000.00 -999 ? >VAL~B 161 41.74 19.97 48.32 41.93 17.78 47.97 41.83 18.88 48.14 3 0 1000.00 -999 ? >ALA~B 162 39.34 21.15 51.11 39.50 21.08 52.60 39.42 21.12 51.86 2 0 1000.00 -999 ? >ASP~B 163 40.92 25.76 49.81 41.62 26.13 51.67 41.27 25.94 50.74 2 0 1000.00 -999 ? >MET?B 164 39.02 23.72 46.41 41.10 25.21 44.47 40.06 24.47 45.44 2 0 1000.00 -999 ? >GLY~B 165 35.69 22.30 47.60 36.01 23.13 47.64 35.85 22.72 47.62 1 0 1000.00 -999 ? >ARG~B 166 35.72 28.47 51.54 38.07 29.80 50.24 36.89 29.14 50.89 2 0 1000.00 -999 ? >ILE~B 167 37.68 27.61 45.54 38.44 28.22 45.70 38.06 27.92 45.62 3 0 1000.00 -999 ? >ILE~B 168 34.42 23.88 43.14 34.75 22.83 42.50 34.59 23.35 42.82 3 0 1000.00 -999 ? >LYS~B 169 31.07 26.33 44.98 26.70 23.53 47.26 28.89 24.93 46.12 2 0 1000.00 -999 ? >GLU~B 170 33.06 30.48 47.41 34.65 31.58 48.33 33.86 31.03 47.87 2 0 1000.00 -999 ? >THR~B 171 32.84 29.91 41.56 34.72 29.26 40.63 33.78 29.58 41.10 2 0 1000.00 -999 ? >ALA~B 172 29.51 28.28 40.66 29.05 26.87 40.83 29.28 27.58 40.74 2 0 1000.00 -999 ? >ASN~B 173 26.67 30.33 43.90 27.42 31.83 45.23 27.04 31.08 44.56 2 0 1000.00 -999 ? >LEU~B 174 30.38 33.92 41.61 30.89 35.34 43.15 30.64 34.63 42.38 3 0 1000.00 -999 ? >SER~B 175 28.43 33.01 37.34 30.59 32.15 37.13 29.51 32.58 37.23 2 0 1000.00 -999 ? >ASP~B 176 26.33 30.92 33.67 24.56 29.90 33.35 25.45 30.41 33.51 2 0 1000.00 -999 ? >MET?B 177 29.77 29.00 33.18 31.37 29.53 28.83 30.57 29.27 31.01 2 0 1000.00 -999 ? >GLY~B 178 32.78 29.83 35.43 32.44 29.09 35.34 32.61 29.46 35.39 1 0 1000.00 -999 ? >VAL~B 179 33.17 26.36 36.89 31.49 25.95 38.13 32.33 26.15 37.51 3 0 1000.00 -999 ? >ALA~B 180 33.44 25.29 33.20 32.46 25.53 32.02 32.95 25.41 32.61 2 0 1000.00 -999 ? >LYS~B 181 36.85 27.08 33.13 34.88 32.65 31.84 35.87 29.87 32.48 2 0 1000.00 -999 ? >LEU^B 182 37.48 25.92 37.65 38.48 25.75 39.54 37.98 25.83 38.59 3 0 1000.00 -999 ? >VAL^B 183 40.03 22.44 36.68 41.41 21.67 35.20 40.72 22.06 35.94 3 0 1000.00 -999 ? >VAL^B 184 41.66 20.75 39.59 41.06 20.77 41.68 41.36 20.76 40.64 3 0 1000.00 -999 ? >PHE^B 185 45.48 19.77 37.25 45.16 20.38 34.71 45.32 20.08 35.98 3 0 1000.00 -999 ? >ALA^B 186 47.24 16.20 40.23 46.60 15.12 40.86 46.92 15.66 40.54 2 0 1000.00 -999 ? >ASN~B 187 50.56 13.99 38.23 51.47 12.75 39.72 51.01 13.37 38.97 2 0 1000.00 -999 ? >ALA~B 188 50.36 18.64 36.52 49.65 19.94 36.83 50.01 19.29 36.67 2 0 1000.00 -999 ? >VAL~B 189 53.93 20.22 37.27 55.32 20.76 39.07 54.63 20.49 38.17 3 0 1000.00 -999 ? >PRO~B 193 48.60 20.85 25.54 48.97 21.10 27.85 48.79 20.97 26.69 3 0 1000.00 -999 ? >ALA~B 196 41.17 22.98 29.19 39.70 22.73 29.26 40.43 22.86 29.22 2 0 1000.00 -999 ? >GLY~B 197 43.71 23.22 32.20 44.00 23.17 31.50 43.86 23.20 31.85 1 0 1000.00 -999 ? >ALA~B 198 46.81 24.38 30.32 46.81 24.76 28.87 46.81 24.57 29.60 2 0 1000.00 -999 ? >PHE~B 199 50.25 25.62 33.97 51.35 23.30 35.32 50.80 24.46 34.65 3 0 1000.00 -999 ? >HIS~B 200 54.59 28.53 28.76 56.36 28.38 27.61 55.48 28.46 28.19 3 0 1000.00 -999 ? >GLY~B 201 55.79 25.88 32.90 55.90 26.45 32.31 55.85 26.16 32.60 1 0 1000.00 -999 ? >VAL~B 202 58.70 27.96 33.98 58.86 28.87 35.77 58.78 28.42 34.87 3 0 1000.00 -999 ? >GLY~B 203 61.85 26.81 32.20 61.07 26.80 31.92 61.46 26.81 32.06 1 0 1000.00 -999 ? >GLU~B 204 58.06 24.85 29.90 58.15 22.93 29.10 58.11 23.89 29.50 2 0 1000.00 -999 ? >ALA~B 205 60.79 28.40 25.95 60.49 28.03 24.53 60.64 28.21 25.24 2 0 1000.00 -999 ? >ASP~B 206 60.67 33.17 25.42 59.99 34.99 26.15 60.33 34.08 25.78 2 0 1000.00 -999 ? >VAL^B 207 57.26 31.14 23.20 56.69 32.86 21.86 56.98 32.00 22.53 3 0 1000.00 -999 ? >ILE^B 208 56.62 26.28 22.50 57.21 26.57 23.58 56.91 26.43 23.04 3 0 1000.00 -999 ? >ILE^B 209 53.56 26.26 18.36 53.58 26.80 17.66 53.57 26.53 18.01 3 0 1000.00 -999 ? >ASN^B 210 51.96 22.21 22.28 53.48 22.98 23.58 52.72 22.59 22.93 2 0 1000.00 -999 ? >VAL^B 211 49.27 21.08 19.05 49.78 20.58 16.87 49.52 20.83 17.96 3 0 1000.00 -999 ? >GLY^B 212 46.83 18.50 20.06 46.68 18.97 19.33 46.76 18.73 19.70 1 0 1000.00 -999 ? >VAL^B 213 45.10 16.45 17.39 46.54 15.68 15.97 45.82 16.07 16.68 3 0 1000.00 -999 ? >SER~B 214 41.77 14.67 16.49 42.38 13.48 14.17 42.08 14.07 15.33 2 0 1000.00 -999 ? >GLY~B 215 41.31 11.02 17.21 40.76 11.23 16.68 41.04 11.12 16.94 1 0 1000.00 -999 ? >PRO~B 216 37.78 10.55 19.45 38.60 9.48 17.69 38.19 10.02 18.57 3 0 1000.00 -999 ? >GLY~B 217 36.31 9.22 14.42 37.04 8.96 14.64 36.68 9.09 14.53 1 0 1000.00 -999 ? >VAL~B 218 39.49 8.31 12.67 41.17 9.56 12.06 40.33 8.94 12.37 3 0 1000.00 -999 ? >VAL~B 219 39.94 5.35 15.03 41.17 5.08 16.88 40.56 5.22 15.96 3 0 1000.00 -999 ? >LYS~B 220 36.26 4.32 14.85 32.09 6.77 12.81 34.17 5.55 13.83 2 0 1000.00 -999 ? >ARG~B 221 35.55 7.24 8.87 35.93 9.57 10.88 35.74 8.40 9.88 2 0 1000.00 -999 ? >ALA~B 222 39.68 1.99 11.44 41.03 2.46 11.85 40.35 2.23 11.64 2 0 1000.00 -999 ? >LEU~B 223 37.79 -0.37 15.34 39.28 -0.21 16.95 38.54 -0.29 16.14 3 0 1000.00 -999 ? >GLU~B 224 34.22 1.45 11.59 32.82 2.75 10.56 33.52 2.10 11.08 2 0 1000.00 -999 ? >LYS~B 225 37.36 -2.67 9.19 37.29 0.65 6.85 37.33 -1.01 8.02 2 0 1000.00 -999 ? >VAL~B 226 38.42 -5.22 11.70 40.45 -4.50 12.30 39.44 -4.86 12.00 3 0 1000.00 -999 ? >ARG~B 227 31.77 -4.92 12.44 30.70 -2.11 11.80 31.23 -3.52 12.12 2 0 1000.00 -999 ? >GLY~B 228 35.48 -10.08 14.50 36.10 -9.57 14.50 35.79 -9.82 14.50 1 0 1000.00 -999 ? >GLN~B 229 40.94 -9.20 12.43 40.09 -9.22 10.51 40.52 -9.21 11.47 2 0 1000.00 -999 ? >SER~B 230 41.51 -10.62 17.42 43.88 -10.99 17.10 42.69 -10.80 17.26 2 0 1000.00 -999 ? >PHE~B 231 41.52 -8.32 22.30 39.05 -7.68 23.22 40.29 -8.00 22.76 3 0 1000.00 -999 ? >ASP~B 232 46.97 -9.72 18.01 46.94 -11.37 19.34 46.95 -10.54 18.68 2 0 1000.00 -999 ? >VAL~B 233 44.85 -7.04 15.32 43.70 -7.70 13.49 44.27 -7.37 14.41 3 0 1000.00 -999 ? >VAL~B 234 42.67 -4.48 17.18 40.90 -4.53 18.53 41.78 -4.51 17.85 3 0 1000.00 -999 ? >ALA~B 235 45.74 -3.23 18.96 46.47 -4.03 19.99 46.10 -3.63 19.47 2 0 1000.00 -999 ? >GLU~B 236 49.77 -4.64 15.21 51.33 -3.09 15.42 50.55 -3.87 15.32 2 0 1000.00 -999 ? >THR~B 237 45.12 -1.04 14.43 43.31 -1.65 13.46 44.22 -1.34 13.95 2 0 1000.00 -999 ? >VAL~B 238 44.91 1.45 17.25 43.80 1.64 19.09 44.36 1.55 18.17 3 0 1000.00 -999 ? >LYS~B 239 48.71 1.99 17.17 53.77 -0.20 17.27 51.24 0.89 17.22 2 0 1000.00 -999 ? >LYS~B 240 48.99 2.48 13.32 46.64 -1.46 10.73 47.82 0.51 12.02 2 0 1000.00 -999 ? >THR~B 241 46.13 5.01 13.36 44.07 4.75 13.35 45.10 4.88 13.36 2 0 1000.00 -999 ? >ALA~B 242 47.69 6.77 16.20 47.80 6.30 17.60 47.75 6.53 16.90 2 0 1000.00 -999 ? >PHE~B 243 52.98 6.14 13.17 55.11 7.06 11.50 54.04 6.60 12.34 3 0 1000.00 -999 ? >LYS~B 244 49.42 8.71 11.50 46.74 4.05 8.73 48.08 6.38 10.11 2 0 1000.00 -999 ? >ILE~B 245 46.28 10.57 14.82 45.06 10.62 15.39 45.67 10.60 15.10 3 0 1000.00 -999 ? >THR~B 246 50.46 12.05 15.39 51.32 11.26 17.10 50.89 11.65 16.24 2 0 1000.00 -999 ? >ARG~B 247 54.84 11.41 10.70 57.06 10.05 12.22 55.95 10.73 11.46 2 0 1000.00 -999 ? >ILE~B 248 48.24 15.00 10.92 47.62 15.03 9.63 47.93 15.01 10.27 3 0 1000.00 -999 ? >GLY~B 249 50.06 16.92 14.30 50.66 16.77 13.67 50.36 16.85 13.99 1 0 1000.00 -999 ? >GLN~B 250 54.63 15.14 14.64 56.00 13.54 14.29 55.31 14.34 14.46 2 0 1000.00 -999 ? >LEU~B 251 52.53 17.86 9.05 53.08 18.60 7.04 52.81 18.23 8.05 3 0 1000.00 -999 ? >VAL~B 252 50.86 21.21 11.50 48.79 21.47 11.77 49.83 21.34 11.64 3 0 1000.00 -999 ? >GLY~B 253 53.19 22.09 14.33 53.40 21.99 13.59 53.30 22.04 13.96 1 0 1000.00 -999 ? >GLN~B 254 58.40 21.70 10.99 58.86 21.12 8.94 58.63 21.41 9.97 2 0 1000.00 -999 ? >MET?B 255 54.40 24.60 9.73 51.96 22.75 6.86 53.18 23.68 8.30 2 0 1000.00 -999 ? >ALA~B 256 52.89 26.74 12.44 52.09 26.17 13.48 52.49 26.45 12.96 2 0 1000.00 -999 ? >SER~B 257 56.29 27.08 14.11 58.23 26.16 15.19 57.26 26.62 14.65 2 0 1000.00 -999 ? >GLU~B 258 59.19 26.40 9.75 58.88 24.95 8.26 59.04 25.67 9.00 2 0 1000.00 -999 ? >ARG~B 259 53.78 29.55 7.36 51.78 27.76 5.84 52.78 28.66 6.60 2 0 1000.00 -999 ? >LEU~B 260 54.62 31.71 14.61 52.48 32.08 14.23 53.55 31.89 14.42 3 0 1000.00 -999 ? >GLY~B 261 59.20 32.05 13.81 58.56 31.81 14.38 58.88 31.93 14.09 1 0 1000.00 -999 ? >VAL~B 262 58.80 30.15 17.08 57.14 30.81 18.19 57.97 30.48 17.63 3 0 1000.00 -999 ? >GLU^B 263 61.59 27.10 20.11 63.02 25.62 20.50 62.31 26.36 20.30 2 0 1000.00 -999 ? >PHE^B 264 56.40 21.71 16.98 54.99 19.24 17.42 55.70 20.48 17.20 3 0 1000.00 -999 ? >GLY^B 265 57.27 21.68 21.09 56.83 21.41 20.43 57.05 21.55 20.76 1 0 1000.00 -999 ? >ILE^B 266 55.07 17.70 22.53 54.76 17.83 23.28 54.92 17.76 22.90 3 0 1000.00 -999 ? >VAL^B 267 51.88 17.10 19.91 51.79 15.78 18.09 51.84 16.44 19.00 3 0 1000.00 -999 ? >ASP^B 268 49.66 15.52 23.38 48.09 16.70 23.93 48.87 16.11 23.65 2 0 1000.00 -999 ? >LEU~B 269 47.01 12.41 24.09 48.66 11.02 25.18 47.84 11.72 24.64 3 0 1000.00 -999 ? >SER~B 270 42.89 12.15 22.21 41.91 9.96 21.36 42.40 11.05 21.78 2 0 1000.00 -999 ? >ALA~B 272 36.40 14.19 21.41 35.63 12.97 21.87 36.02 13.58 21.64 2 0 1000.00 -999 ? >PRO~B 273 34.82 16.78 18.14 34.88 16.79 20.40 34.85 16.79 19.27 3 0 1000.00 -999 ? >GLY~B 278 30.71 15.69 16.04 31.51 15.35 15.95 31.11 15.52 15.99 1 0 1000.00 -999 ? >ASP~B 279 34.53 13.13 17.78 36.13 13.18 16.36 35.33 13.16 17.07 2 0 1000.00 -999 ? >SER~B 280 33.06 9.63 19.12 32.92 8.87 16.77 32.99 9.25 17.95 2 0 1000.00 -999 ? >VAL~B 281 35.07 7.79 21.99 36.60 8.62 23.38 35.83 8.20 22.69 3 0 1000.00 -999 ? >ALA~B 282 32.12 6.13 23.63 30.92 6.82 24.05 31.52 6.47 23.84 2 0 1000.00 -999 ? >ARG~B 283 28.81 7.13 19.63 26.18 6.24 20.97 27.50 6.68 20.30 2 0 1000.00 -999 ? >VAL~B 284 35.16 3.82 19.82 37.16 4.43 19.39 36.16 4.12 19.60 3 0 1000.00 -999 ? >LEU~B 285 34.87 1.92 24.34 36.31 3.08 25.40 35.59 2.50 24.87 3 0 1000.00 -999 ? >GLU~B 286 29.47 1.45 22.85 28.13 3.11 22.64 28.80 2.28 22.74 2 0 1000.00 -999 ? >GLU~B 287 34.30 -0.40 16.23 33.08 -1.16 14.74 33.69 -0.78 15.48 2 0 1000.00 -999 ? >MET?B 288 35.49 -2.78 20.11 38.81 -0.94 21.98 37.15 -1.86 21.05 2 0 1000.00 -999 ? >GLY~B 289 32.44 -4.87 20.63 32.56 -4.35 21.25 32.50 -4.61 20.94 1 0 1000.00 -999 ? >LEU~B 290 31.41 -2.87 24.85 32.97 -3.20 26.19 32.19 -3.03 25.52 3 0 1000.00 -999 ? >GLU~B 291 24.56 -3.16 24.12 22.99 -4.47 24.74 23.77 -3.81 24.43 2 0 1000.00 -999 ? >THR~B 292 27.03 0.13 25.67 25.14 0.95 26.19 26.08 0.54 25.93 2 0 1000.00 -999 ? >VAL~B 293 29.83 2.24 27.07 30.13 4.38 27.22 29.98 3.31 27.14 3 0 1000.00 -999 ? >GLY~B 294 30.08 1.59 30.87 30.10 0.90 30.38 30.09 1.25 30.62 1 0 1000.00 -999 ? >THR~B 295 29.23 -2.05 30.73 28.67 -3.57 29.36 28.95 -2.81 30.05 2 0 1000.00 -999 ? >HIS~B 296 30.18 -5.91 33.49 28.92 -5.45 35.12 29.55 -5.68 34.30 3 0 1000.00 -999 ? >GLY~B 297 34.67 -4.72 29.58 34.52 -4.00 29.96 34.59 -4.36 29.77 1 0 1000.00 -999 ? >THR~B 298 34.74 -1.02 29.11 33.17 0.46 29.41 33.95 -0.28 29.26 2 0 1000.00 -999 ? >THR~B 299 37.71 -0.57 31.21 37.70 -0.61 33.37 37.70 -0.59 32.29 2 0 1000.00 -999 ? >ALA~B 300 39.88 -3.08 29.42 39.65 -4.55 29.31 39.76 -3.81 29.36 2 0 1000.00 -999 ? >ALA~B 301 38.70 -1.60 26.20 37.33 -1.48 25.66 38.01 -1.54 25.93 2 0 1000.00 -999 ? >LEU~B 302 39.05 2.88 28.13 39.30 4.99 28.39 39.18 3.94 28.26 3 0 1000.00 -999 ? >ALA~B 303 43.05 0.56 28.61 43.23 -0.44 29.58 43.14 0.06 29.09 2 0 1000.00 -999 ? >LEU~B 304 42.62 -1.87 24.49 43.70 -3.09 23.06 43.16 -2.48 23.78 3 0 1000.00 -999 ? >LEU~B 305 41.51 3.28 23.68 41.02 4.88 22.20 41.27 4.08 22.94 3 0 1000.00 -999 ? >ASN~B 306 44.57 4.86 27.11 46.14 6.11 27.87 45.36 5.49 27.49 2 0 1000.00 -999 ? >ASP~B 307 47.97 0.84 26.31 50.05 0.07 26.25 49.01 0.45 26.28 2 0 1000.00 -999 ? >GLN~B 308 47.04 -0.69 21.63 48.90 -1.70 21.84 47.97 -1.19 21.74 2 0 1000.00 -999 ? >VAL~B 309 47.46 5.21 21.19 45.89 6.71 21.07 46.68 5.96 21.13 3 0 1000.00 -999 ? >LYS~B 310 50.37 6.16 23.52 49.15 7.06 29.50 49.76 6.61 26.51 2 0 1000.00 -999 ? >LYS~B 311 52.56 3.73 21.72 51.73 -1.84 23.81 52.14 0.94 22.76 2 0 1000.00 -999 ? >GLY~B 312 51.54 4.92 18.27 51.93 5.22 18.93 51.74 5.07 18.60 1 0 1000.00 -999 ? >GLY~B 313 52.49 8.39 19.36 52.92 7.72 19.46 52.71 8.06 19.41 1 0 1000.00 -999 ? >VAL~B 314 55.84 7.32 20.71 56.69 6.48 22.50 56.27 6.90 21.61 3 0 1000.00 -999 ? >MET?B 315 56.45 5.65 17.45 55.39 2.32 15.50 55.92 3.98 16.48 2 0 1000.00 -999 ? >ALA~B 316 56.77 9.16 15.97 55.71 9.77 15.22 56.24 9.46 15.59 2 0 1000.00 -999 ? >GLU~B 334 27.52 12.15 20.43 27.24 10.13 19.82 27.38 11.14 20.13 2 0 1000.00 -999 ? >GLY~B 335 28.38 8.62 23.31 28.21 9.26 23.92 28.29 8.94 23.62 1 0 1000.00 -999 ? >MET?B 336 28.83 9.31 26.99 32.01 8.18 27.87 30.42 8.75 27.43 2 0 1000.00 -999 ? >ILE~B 337 25.39 12.71 27.47 24.92 13.81 26.87 25.15 13.26 27.17 3 0 1000.00 -999 ? >ALA~B 338 23.36 8.76 26.30 23.38 8.28 24.89 23.37 8.52 25.60 2 0 1000.00 -999 ? >ALA~B 339 24.94 6.16 28.56 26.34 5.70 28.34 25.64 5.93 28.45 2 0 1000.00 -999 ? >VAL~B 340 24.56 8.42 31.56 25.79 9.92 32.45 25.18 9.17 32.01 3 0 1000.00 -999 ? >GLN~B 341 20.25 11.00 29.68 20.05 12.06 27.81 20.15 11.53 28.75 2 0 1000.00 -999 ? >ASN~B 342 20.30 4.34 28.73 22.37 3.73 28.45 21.33 4.03 28.59 2 0 1000.00 -999 ? >GLY~B 343 21.92 4.74 33.30 22.12 4.37 32.60 22.02 4.56 32.95 1 0 1000.00 -999 ? >SER~B 344 24.60 2.37 32.12 25.02 1.99 29.76 24.81 2.18 30.94 2 0 1000.00 -999 ? >LEU~B 345 27.80 5.82 31.70 29.88 6.32 31.69 28.84 6.07 31.70 3 0 1000.00 -999 ? >ASN~B 346 27.86 4.29 36.94 27.85 4.14 39.03 27.86 4.22 37.99 2 0 1000.00 -999 ? >LEU~B 347 29.69 9.03 39.41 30.78 10.86 39.98 30.24 9.95 39.69 3 0 1000.00 -999 ? >GLU~B 348 30.47 4.20 41.34 29.25 5.79 41.97 29.86 4.99 41.65 2 0 1000.00 -999 ? >LYS~B 349 32.60 3.67 36.46 33.55 -1.14 34.12 33.07 1.26 35.29 2 0 1000.00 -999 ? >LEU~B 350 33.32 8.24 35.23 32.29 9.10 33.61 32.81 8.67 34.42 3 0 1000.00 -999 ? >GLU~B 351 36.96 7.06 40.73 36.57 6.71 42.76 36.76 6.88 41.75 2 0 1000.00 -999 ? >ALA~B 352 37.21 3.45 37.61 36.24 2.32 37.35 36.72 2.88 37.48 2 0 1000.00 -999 ? >MET?B 353 38.08 4.44 34.12 34.57 4.73 31.97 36.33 4.58 33.04 2 0 1000.00 -999 ? >THR~B 354 40.33 7.24 35.36 39.26 8.53 36.75 39.79 7.89 36.06 2 0 1000.00 -999 ? >ALA~B 355 42.61 4.52 36.76 42.18 3.18 37.46 42.39 3.85 37.11 2 0 1000.00 -999 ? >ILE~B 356 43.13 2.34 32.60 42.24 1.91 32.13 42.69 2.13 32.37 3 0 1000.00 -999 ? >CYH~B 357 43.65 6.74 31.63 42.82 7.01 29.32 43.23 6.88 30.47 2 0 1000.00 -999 ? >SER~B 358 41.76 10.19 31.69 40.02 11.65 32.77 40.89 10.92 32.23 2 0 1000.00 -999 ? >ASP~B 362 37.24 16.91 33.11 37.71 17.87 31.23 37.48 17.39 32.17 2 0 1000.00 -999 ? >MET?B 363 32.85 17.96 32.61 33.23 21.07 30.86 33.04 19.52 31.74 2 0 1000.00 -999 ? >ILE^B 364 32.06 15.17 36.15 33.10 14.47 36.60 32.58 14.82 36.38 3 0 1000.00 -999 ? >ALA^B 365 27.78 17.66 36.30 26.59 18.06 35.46 27.18 17.86 35.88 2 0 1000.00 -999 ? >ILE^B 366 27.76 16.89 40.92 28.95 16.89 41.51 28.35 16.89 41.21 3 0 1000.00 -999 ? >PRO~B 367 22.94 16.38 42.16 24.24 18.11 41.53 23.59 17.25 41.85 3 0 1000.00 -999 ? >GLU~B 368 23.14 24.43 43.41 22.36 26.23 42.61 22.75 25.33 43.01 2 0 1000.00 -999 ? >ASP~B 369 21.86 21.29 46.97 21.27 19.23 46.47 21.56 20.26 46.72 2 0 1000.00 -999 ? >THR~B 370 26.25 19.20 46.90 27.16 17.77 45.61 26.70 18.48 46.25 2 0 1000.00 -999 ? >PRO~B 371 27.65 17.76 50.86 27.76 19.61 49.58 27.71 18.69 50.22 3 0 1000.00 -999 ? >ALA~B 372 31.66 21.39 49.74 32.21 22.64 50.30 31.93 22.01 50.02 2 0 1000.00 -999 ? >GLU~B 373 33.66 19.06 53.90 32.22 20.63 54.12 32.94 19.85 54.01 2 0 1000.00 -999 ? >THR~B 374 31.82 16.06 48.93 29.87 15.04 48.83 30.85 15.55 48.88 2 0 1000.00 -999 ? >ILE~B 375 33.20 19.35 45.76 32.67 20.27 44.68 32.93 19.81 45.22 3 0 1000.00 -999 ? >ALA~B 376 36.72 17.91 48.01 36.94 18.42 49.38 36.83 18.17 48.70 2 0 1000.00 -999 ? >ALA~B 377 36.52 14.07 48.41 35.58 13.37 49.30 36.05 13.72 48.85 2 0 1000.00 -999 ? >MET?B 378 35.75 13.53 44.77 31.99 14.58 43.28 33.87 14.06 44.02 2 0 1000.00 -999 ? >ILE~B 379 39.20 16.93 44.44 39.38 18.33 44.19 39.29 17.63 44.31 3 0 1000.00 -999 ? >ALA~B 380 40.82 13.51 46.70 40.41 13.35 48.16 40.62 13.43 47.43 2 0 1000.00 -999 ? >ASP~B 381 38.18 9.85 44.99 37.28 9.02 46.75 37.73 9.44 45.87 2 0 1000.00 -999 ? >GLU~B 382 39.15 12.21 40.11 39.61 10.72 38.79 39.38 11.47 39.45 2 0 1000.00 -999 ? >ALA~B 383 44.14 12.74 42.93 44.35 13.81 43.89 44.25 13.28 43.41 2 0 1000.00 -999 ? >ALA~B 384 44.90 9.48 44.85 44.11 8.85 45.90 44.50 9.17 45.38 2 0 1000.00 -999 ? >ILE~B 385 43.42 7.45 40.85 42.52 6.52 40.04 42.97 6.98 40.44 3 0 1000.00 -999 ? >GLY~B 386 46.75 9.88 39.95 46.91 9.53 40.71 46.83 9.70 40.33 1 0 1000.00 -999 ? >VAL~B 387 49.33 10.06 42.62 49.64 11.38 44.26 49.48 10.72 43.44 3 0 1000.00 -999 ? >ILE~B 388 49.08 5.54 44.56 48.61 4.90 44.67 48.85 5.22 44.61 3 0 1000.00 -999 ? >ASN~B 389 48.48 5.04 39.32 47.54 3.40 40.44 48.01 4.22 39.88 2 0 1000.00 -999 ? >MET?B 390 52.14 8.19 38.32 55.36 5.96 39.38 53.75 7.07 38.85 2 0 1000.00 -999 ? >LYS~B 391 49.35 9.56 36.30 48.12 4.83 35.14 48.73 7.19 35.72 2 0 1000.00 -999 ? >THR~B 392 47.97 12.95 35.57 48.27 14.56 34.15 48.12 13.75 34.86 2 0 1000.00 -999 ? >THR^B 393 44.54 13.60 37.01 44.27 11.91 38.29 44.40 12.76 37.65 2 0 1000.00 -999 ? >ALA^B 394 42.08 16.44 36.34 42.38 16.92 34.97 42.23 16.68 35.65 2 0 1000.00 -999 ? >VAL^B 395 38.58 17.00 37.82 37.90 16.34 39.80 38.24 16.67 38.81 3 0 1000.00 -999 ? >ARG~B 396 35.99 21.89 33.71 37.31 21.85 30.93 36.65 21.87 32.32 2 0 1000.00 -999 ? >ILE^B 397 33.25 19.22 39.97 33.13 18.51 41.18 33.19 18.87 40.57 3 0 1000.00 -999 ? >ILE^B 398 29.40 21.48 36.21 30.04 22.41 35.40 29.72 21.94 35.81 3 0 1000.00 -999 ? >PRO^B 399 29.33 22.74 41.92 28.30 21.94 40.08 28.81 22.34 41.00 3 0 1000.00 -999 ? >LYS~B 400 24.49 23.15 39.14 26.52 27.97 38.17 25.51 25.56 38.65 2 0 1000.00 -999 ? >GLY~B 401 20.97 21.70 39.06 21.34 21.57 39.77 21.15 21.64 39.42 1 0 1000.00 -999 ? >LYS~B 402 19.06 18.72 40.49 14.88 19.61 39.21 16.97 19.17 39.85 2 0 1000.00 -999 ? >GLU~B 403 18.55 12.77 42.27 20.07 11.52 41.25 19.31 12.15 41.76 2 0 1000.00 -999 ? >GLY~B 404 18.90 14.23 37.10 18.71 14.97 37.19 18.80 14.60 37.15 1 0 1000.00 -999 ? >ASP~B 405 18.92 18.87 35.59 17.42 19.41 36.96 18.17 19.14 36.27 2 0 1000.00 -999 ? >MET?B 406 20.66 18.56 31.89 21.09 15.69 29.48 20.88 17.13 30.68 2 0 1000.00 -999 ? >ALA~B 416 26.38 17.35 30.74 26.92 18.52 31.62 26.65 17.93 31.18 2 0 1000.00 -999 ? >VAL~B 418 23.73 16.14 36.23 22.85 17.66 37.51 23.29 16.90 36.87 3 0 1000.00 -999 ? >MET?B 419 24.67 12.94 37.96 27.82 11.36 35.63 26.25 12.15 36.79 2 0 1000.00 -999 ? >VAL~B 421 26.05 11.81 44.00 26.85 13.70 44.70 26.45 12.75 44.35 3 0 1000.00 -999 ? >ASN~B 422 27.67 8.46 47.28 27.38 7.13 48.93 27.52 7.80 48.11 2 0 1000.00 -999 ? >GLY~B 423 24.72 11.26 49.86 25.29 10.69 50.12 25.00 10.98 49.99 1 0 1000.00 -999 ? >ALA~B 424 26.83 9.81 52.76 27.27 8.34 52.85 27.05 9.07 52.80 2 0 1000.00 -999 ? >SER~B 425 28.99 12.49 54.28 29.34 14.21 55.81 29.17 13.35 55.05 2 0 1000.00 -999 ? >SER~B 426 32.73 13.08 53.87 32.79 12.18 51.66 32.76 12.63 52.77 2 0 1000.00 -999 ? >VAL~B 427 32.87 16.05 56.24 31.38 17.47 56.96 32.12 16.76 56.60 3 0 1000.00 -999 ? >ASP~B 428 34.73 13.25 59.61 33.69 13.66 61.42 34.21 13.45 60.51 2 0 1000.00 -999 ? >PHE~B 429 38.29 11.94 54.47 40.34 10.70 52.96 39.32 11.32 53.71 3 0 1000.00 -999 ? >ILE~B 430 36.94 17.16 53.69 37.75 17.02 52.53 37.35 17.09 53.11 3 0 1000.00 -999 ? >SER~B 431 38.11 18.54 57.96 35.84 18.73 58.52 36.97 18.63 58.24 2 0 1000.00 -999 ? >ARG~B 432 41.74 12.99 59.43 40.93 11.08 61.69 41.33 12.04 60.56 2 0 1000.00 -999 ? >GLY~B 433 43.75 19.02 56.90 43.91 18.18 56.97 43.83 18.60 56.93 1 0 1000.00 -999 ? >GLY~B 434 47.38 18.50 56.09 46.92 18.47 55.43 47.15 18.49 55.76 1 0 1000.00 -999 ? >GLN^B 435 51.50 16.88 52.22 50.92 18.53 51.01 51.21 17.70 51.62 2 0 1000.00 -999 ? >ILE^B 436 47.96 12.40 51.71 46.78 11.60 51.60 47.37 12.00 51.65 3 0 1000.00 -999 ? >PRO~B 437 52.49 10.63 53.74 52.07 12.13 52.18 52.28 11.38 52.96 3 0 1000.00 -999 ? >ALA~B 438 54.90 9.76 49.87 54.44 8.62 50.66 54.67 9.19 50.26 2 0 1000.00 -999 ? >PRO~B 439 53.08 8.06 45.95 53.87 7.77 48.09 53.47 7.92 47.02 3 0 1000.00 -999 ?