REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-OCT-07 3B4S COMPND PROTEIN LUXT; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 FRAGMENT: LUXT DOMAIN: RESIDUES 63-153; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS RIMD 2210633; SOURCE 3 ORGANISM_TAXID: 223926; SOURCE 4 STRAIN: RIMD 2210633 / SEROTYPE O3:K6; SOURCE 5 GENE: VPA0420; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR K.TAN,M.ZHOU,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 69 8 HET MSE A 127 8 HET MSE A 151 8 HET MSE B 69 8 HET MSE B 127 8 HET MSE B 151 8 HET MSE C 69 8 HET MSE C 127 8 HET MSE C 151 8 HET MSE D 69 8 HET MSE D 127 8 HET MSE D 151 8 HET MSE E 69 8 HET MSE E 127 8 HET MSE E 151 8 HET MSE F 69 8 HET MSE F 127 8 HET MSE F 151 8 HET MSE G 69 8 HET MSE G 127 8 HET MSE G 151 8 HET MSE H 69 8 HET MSE H 127 8 HET MSE H 151 8 >ALA.A 62 -17.83 -13.93 120.99 -17.11 -14.30 122.34 -17.47 -14.11 121.67 2 0 1000.00 -999 ? >ASP.A 63 -15.93 -16.00 117.07 -14.38 -17.07 118.10 -15.16 -16.54 117.59 2 0 1000.00 -999 ? >GLY~A 64 -17.49 -12.80 114.45 -17.56 -13.65 114.48 -17.52 -13.23 114.47 1 0 1000.00 -999 ? >ARG~A 65 -21.55 -14.94 108.86 -23.96 -13.78 110.49 -22.75 -14.36 109.67 2 0 1000.00 -999 ? >ILE~A 66 -14.89 -13.23 108.75 -14.96 -13.52 107.36 -14.92 -13.38 108.05 3 0 1000.00 -999 ? >PHE~A 67 -12.39 -16.85 113.62 -10.62 -18.48 115.02 -11.50 -17.66 114.32 3 0 1000.00 -999 ? >LYS~A 68 -16.94 -18.66 112.37 -20.86 -17.06 116.13 -18.90 -17.86 114.25 2 0 1000.00 -999 ? >MET?A 69 -17.29 -19.69 108.72 -19.14 -16.71 106.46 -18.21 -18.20 107.59 2 0 1000.00 -999 ? >PHE~A 70 -11.18 -19.89 108.72 -8.61 -20.88 108.42 -9.90 -20.39 108.57 3 0 1000.00 -999 ? >ILE~A 71 -13.93 -21.80 113.26 -13.06 -22.45 113.93 -13.49 -22.12 113.59 3 0 1000.00 -999 ? >GLU~A 72 -18.99 -24.36 109.89 -20.20 -22.92 110.90 -19.59 -23.64 110.40 2 0 1000.00 -999 ? >HIS.A 73 -14.38 -24.96 105.71 -15.50 -24.13 104.13 -14.94 -24.55 104.92 3 0 1000.00 -999 ? >LEU.A 74 -11.23 -26.58 111.11 -9.86 -25.50 109.82 -10.54 -26.04 110.47 3 0 1000.00 -999 ? >GLU.A 75 -13.34 -33.08 112.87 -14.64 -32.43 114.44 -13.99 -32.76 113.65 2 0 1000.00 -999 ? >PHE.A 76 -10.82 -27.16 116.50 -9.62 -24.90 115.30 -10.22 -26.03 115.90 3 0 1000.00 -999 ? >GLU.A 77 -15.17 -31.80 118.64 -14.71 -30.35 120.14 -14.94 -31.07 119.39 2 0 1000.00 -999 ? >LYS.A 78 -11.57 -35.84 117.43 -16.00 -36.99 114.32 -13.79 -36.42 115.88 2 0 1000.00 -999 ? >GLY~A 79 -7.72 -35.35 117.52 -8.04 -34.84 117.12 -7.88 -35.10 117.32 1 0 1000.00 -999 ? >LEU~A 80 -3.29 -33.68 116.34 -1.95 -31.97 115.80 -2.62 -32.82 116.07 3 0 1000.00 -999 ? >ASP~A 81 -4.40 -37.22 112.28 -2.84 -38.15 113.34 -3.62 -37.69 112.81 2 0 1000.00 -999 ? >ALA~A 82 -8.14 -35.29 112.15 -9.09 -35.63 113.25 -8.62 -35.46 112.70 2 0 1000.00 -999 ? >PHE~A 83 -6.65 -29.36 113.19 -6.17 -26.66 112.79 -6.41 -28.01 112.99 3 0 1000.00 -999 ? >SER~A 84 -4.81 -31.50 109.54 -3.21 -32.57 110.84 -4.01 -32.03 110.19 2 0 1000.00 -999 ? >GLN~A 85 -6.67 -36.27 108.07 -6.29 -36.77 106.00 -6.48 -36.52 107.03 2 0 1000.00 -999 ? >SER~A 86 -9.86 -31.32 107.65 -9.98 -30.43 109.91 -9.92 -30.88 108.78 2 0 1000.00 -999 ? >TRP~A 87 -5.12 -26.51 106.02 -5.29 -23.50 108.50 -5.20 -25.01 107.26 3 0 1000.00 -999 ? >ILE~A 88 -5.33 -31.64 103.78 -3.84 -31.69 103.24 -4.59 -31.67 103.51 3 0 1000.00 -999 ? >LYS~A 89 -9.50 -30.99 102.60 -14.20 -33.36 101.61 -11.85 -32.17 102.10 2 0 1000.00 -999 ? >ALA~A 90 -10.87 -27.51 103.30 -10.82 -26.78 104.61 -10.84 -27.15 103.96 2 0 1000.00 -999 ? >LEU~A 91 -6.55 -26.86 101.35 -5.00 -25.53 102.07 -5.77 -26.19 101.71 3 0 1000.00 -999 ? >GLU.A 92 -10.11 -29.74 97.89 -9.08 -31.57 97.51 -9.60 -30.66 97.70 2 0 1000.00 -999 ? >ASP~A 93 -13.43 -25.58 100.03 -14.97 -24.17 100.33 -14.20 -24.88 100.18 2 0 1000.00 -999 ? >SER~A 94 -12.64 -21.86 97.28 -13.00 -21.89 94.96 -12.82 -21.87 96.12 2 0 1000.00 -999 ? >GLU~A 95 -16.74 -19.47 101.01 -17.72 -19.68 102.90 -17.23 -19.58 101.96 2 0 1000.00 -999 ? >PHE~A 96 -10.69 -23.24 104.06 -8.84 -23.79 106.05 -9.76 -23.51 105.05 3 0 1000.00 -999 ? >LEU~A 97 -8.73 -21.07 99.25 -6.66 -20.78 98.57 -7.70 -20.92 98.91 3 0 1000.00 -999 ? >ALA~A 98 -10.39 -16.89 100.09 -11.72 -16.54 99.45 -11.05 -16.71 99.77 2 0 1000.00 -999 ? >ILE~A 99 -11.96 -17.11 104.71 -13.11 -17.30 105.51 -12.54 -17.20 105.11 3 0 1000.00 -999 ? >LEU~A 100 -7.02 -18.90 104.32 -5.46 -19.90 105.43 -6.24 -19.40 104.88 3 0 1000.00 -999 ? >ARG~A 101 -5.82 -14.12 98.49 -4.62 -16.28 96.60 -5.22 -15.20 97.55 2 0 1000.00 -999 ? >LEU~A 102 -9.50 -12.35 104.00 -10.52 -10.71 103.22 -10.01 -11.53 103.61 3 0 1000.00 -999 ? >LEU~A 103 -7.04 -14.81 107.90 -8.78 -15.51 109.01 -7.91 -15.16 108.46 3 0 1000.00 -999 ? >PHE~A 104 -2.59 -15.92 105.14 -2.08 -18.56 105.80 -2.33 -17.24 105.47 3 0 1000.00 -999 ? >HIS~A 105 -4.70 -8.50 102.87 -4.64 -6.49 102.27 -4.67 -7.50 102.57 3 0 1000.00 -999 ? >HIS~A 106 -5.99 -8.23 109.61 -6.65 -6.97 111.15 -6.32 -7.60 110.38 3 0 1000.00 -999 ? >ILE~A 107 -1.16 -10.94 110.19 -1.46 -12.26 110.61 -1.31 -11.60 110.40 3 0 1000.00 -999 ? >VAL~A 108 0.82 -9.16 106.33 1.47 -10.36 104.67 1.14 -9.76 105.50 3 0 1000.00 -999 ? >THR~A 109 -0.38 -5.64 105.55 -1.99 -5.89 104.17 -1.18 -5.77 104.86 2 0 1000.00 -999 ? >SER~A 110 -0.17 -4.16 109.00 -2.11 -4.14 110.38 -1.14 -4.15 109.69 2 0 1000.00 -999 ? >GLU.A 111 4.70 -4.06 112.26 6.21 -2.66 111.65 5.46 -3.36 111.96 2 0 1000.00 -999 ? >SER~A 112 2.18 -5.13 115.70 3.52 -6.26 117.43 2.85 -5.69 116.57 2 0 1000.00 -999 ? >ALA~A 113 3.13 -2.16 117.90 2.29 -1.51 118.93 2.71 -1.84 118.42 2 0 1000.00 -999 ? >HIS~A 114 5.14 -5.16 122.00 4.63 -4.83 124.03 4.88 -5.00 123.02 3 0 1000.00 -999 ? >GLU~A 115 6.46 -7.24 115.43 8.36 -8.29 115.62 7.41 -7.77 115.52 2 0 1000.00 -999 ? >PHE~A 116 6.34 0.81 114.39 6.92 3.24 113.16 6.63 2.03 113.77 3 0 1000.00 -999 ? >ALA~A 117 8.76 0.10 118.34 8.23 -0.11 119.71 8.49 -0.01 119.02 2 0 1000.00 -999 ? >ALA~A 118 11.73 -2.16 117.57 11.65 -3.62 117.82 11.69 -2.89 117.69 2 0 1000.00 -999 ? >ASN~A 119 12.08 0.36 113.38 12.08 2.30 114.32 12.08 1.33 113.85 2 0 1000.00 -999 ? >GLY~A 120 16.41 0.00 113.26 15.82 0.56 113.34 16.11 0.28 113.30 1 0 1000.00 -999 ? >ILE~A 121 15.00 4.54 111.96 15.82 5.37 111.12 15.41 4.96 111.54 3 0 1000.00 -999 ? >ASP~A 122 13.80 3.85 117.08 13.62 4.78 118.96 13.71 4.32 118.02 2 0 1000.00 -999 ? >ARG~A 123 18.03 -2.42 117.37 16.64 -4.00 114.93 17.34 -3.21 116.15 2 0 1000.00 -999 ? >LEU~A 124 19.98 4.25 113.98 21.57 5.14 112.88 20.77 4.70 113.43 3 0 1000.00 -999 ? >TYR~A 125 17.28 8.71 117.60 16.87 11.13 118.90 17.08 9.92 118.25 3 0 1000.00 -999 ? >LYS~A 126 19.62 5.84 120.44 14.69 3.53 121.89 17.16 4.69 121.16 2 0 1000.00 -999 ? >MET?A 127 23.17 4.58 119.69 24.19 1.36 117.36 23.68 2.97 118.53 2 0 1000.00 -999 ? >VAL~A 128 23.98 7.96 118.18 23.74 9.15 116.38 23.86 8.56 117.28 3 0 1000.00 -999 ? >GLU~A 129 20.73 10.45 122.80 18.68 10.90 122.87 19.70 10.67 122.83 2 0 1000.00 -999 ? >SER~A 130 24.00 7.68 123.85 24.62 5.49 124.66 24.31 6.59 124.25 2 0 1000.00 -999 ? >GLN~A 131 29.13 7.55 120.55 30.54 6.77 121.94 29.83 7.16 121.25 2 0 1000.00 -999 ? >PHE~A 132 28.22 11.01 118.90 30.05 9.27 117.69 29.14 10.14 118.29 3 0 1000.00 -999 ? >GLY~A 133 24.20 13.41 122.78 24.28 13.26 121.95 24.24 13.33 122.36 1 0 1000.00 -999 ? >SER~A 134 21.76 15.67 121.04 21.70 17.64 122.26 21.73 16.65 121.65 2 0 1000.00 -999 ? >GLY~A 135 24.64 17.18 119.07 24.26 16.42 119.06 24.45 16.80 119.06 1 0 1000.00 -999 ? >GLY~A 136 24.99 13.81 117.42 24.30 14.22 117.56 24.64 14.01 117.49 1 0 1000.00 -999 ? >ASP~A 137 20.19 13.80 118.08 20.22 12.27 119.56 20.21 13.04 118.82 2 0 1000.00 -999 ? >LYS~A 138 21.26 16.84 115.11 21.38 22.24 113.00 21.32 19.54 114.06 2 0 1000.00 -999 ? >GLU~A 139 26.33 14.51 112.44 27.12 15.88 111.08 26.72 15.20 111.76 2 0 1000.00 -999 ? >LEU~A 140 22.03 11.14 113.44 21.05 9.31 112.75 21.54 10.22 113.09 3 0 1000.00 -999 ? >GLU~A 141 17.64 14.14 113.40 16.90 15.50 114.90 17.27 14.82 114.15 2 0 1000.00 -999 ? >TRP~A 142 22.43 17.85 106.67 26.07 16.42 106.13 24.25 17.13 106.40 3 0 1000.00 -999 ? >LEU~A 143 23.77 11.69 108.11 25.88 11.99 108.50 24.83 11.84 108.31 3 0 1000.00 -999 ? >ILE~A 144 18.54 10.50 108.39 17.73 9.55 109.09 18.13 10.03 108.74 3 0 1000.00 -999 ? >GLY~A 145 18.09 13.80 105.26 18.78 13.33 105.12 18.44 13.56 105.19 1 0 1000.00 -999 ? >ARG~A 146 24.53 14.96 102.29 27.31 14.35 101.24 25.92 14.65 101.77 2 0 1000.00 -999 ? >SER~A 147 20.61 10.10 102.26 21.50 9.52 104.33 21.05 9.81 103.30 2 0 1000.00 -999 ? >LEU~A 148 15.83 10.76 102.62 13.84 10.50 101.69 14.83 10.63 102.15 3 0 1000.00 -999 ? >ILE~A 149 18.15 14.47 99.39 17.21 15.57 98.95 17.68 15.02 99.17 3 0 1000.00 -999 ? >GLN~A 150 22.17 9.56 97.15 24.04 8.78 97.79 23.10 9.17 97.47 2 0 1000.00 -999 ? >MET?A 151 17.72 8.26 97.17 16.90 5.89 100.53 17.31 7.08 98.85 2 0 1000.00 -999 ? >SER~A 152 15.39 10.31 95.03 15.37 12.59 95.90 15.38 11.45 95.46 2 0 1000.00 -999 ? >LYS~A 153 18.16 11.89 92.83 17.57 16.97 94.38 17.86 14.43 93.60 2 0 1000.00 -999 ? >ASP~B 63 -20.23 -10.81 92.75 -21.82 -11.74 91.71 -21.02 -11.27 92.23 2 0 1000.00 -999 ? >GLY~B 64 -16.13 -10.44 94.02 -16.89 -10.81 94.15 -16.51 -10.63 94.08 1 0 1000.00 -999 ? >ARG~B 65 -13.87 -16.43 95.88 -16.23 -17.95 97.20 -15.05 -17.19 96.54 2 0 1000.00 -999 ? >ILE~B 66 -13.85 -9.26 98.47 -12.89 -9.39 99.56 -13.37 -9.32 99.01 3 0 1000.00 -999 ? >PHE~B 67 -19.86 -7.40 96.55 -22.20 -5.85 96.75 -21.03 -6.62 96.65 3 0 1000.00 -999 ? >LYS~B 68 -20.15 -12.05 98.37 -18.73 -14.83 93.35 -19.44 -13.44 95.86 2 0 1000.00 -999 ? >MET?B 69 -18.54 -12.51 101.77 -14.80 -14.58 101.87 -16.67 -13.55 101.82 2 0 1000.00 -999 ? >PHE~B 70 -19.07 -6.38 102.30 -20.03 -3.93 103.18 -19.55 -5.16 102.74 3 0 1000.00 -999 ? >ILE~B 71 -23.20 -9.23 100.29 -24.11 -8.39 100.32 -23.65 -8.81 100.30 3 0 1000.00 -999 ? >GLU~B 72 -22.65 -14.32 102.67 -21.02 -15.65 102.40 -21.83 -14.99 102.54 2 0 1000.00 -999 ? >HIS~B 73 -20.14 -9.76 107.64 -18.29 -10.64 108.10 -19.21 -10.20 107.87 3 0 1000.00 -999 ? >LEU~B 74 -25.37 -6.89 105.43 -23.93 -5.38 105.84 -24.65 -6.14 105.64 3 0 1000.00 -999 ? >GLU~B 75 -31.45 -9.18 107.81 -31.57 -11.06 106.85 -31.51 -10.12 107.33 2 0 1000.00 -999 ? >PHE~B 76 -29.43 -6.75 102.04 -26.97 -5.53 101.66 -28.20 -6.14 101.85 3 0 1000.00 -999 ? >GLU~B 77 -33.56 -11.47 103.30 -33.71 -11.32 101.23 -33.63 -11.40 102.26 2 0 1000.00 -999 ? >LYS~B 78 -35.90 -7.72 107.19 -35.10 -12.94 110.29 -35.50 -10.33 108.74 2 0 1000.00 -999 ? >GLY~B 79 -36.05 -3.98 106.71 -35.34 -4.32 106.96 -35.69 -4.15 106.84 1 0 1000.00 -999 ? >LEU~B 80 -34.44 0.38 108.02 -34.21 1.50 106.16 -34.33 0.94 107.09 3 0 1000.00 -999 ? >ASP~B 81 -34.37 -2.13 112.64 -35.14 -0.21 112.89 -34.76 -1.17 112.76 2 0 1000.00 -999 ? >ALA~B 82 -32.38 -5.70 110.85 -33.15 -6.76 110.12 -32.77 -6.23 110.48 2 0 1000.00 -999 ? >PHE~B 83 -29.21 -3.05 106.31 -27.12 -2.37 104.65 -28.17 -2.71 105.48 3 0 1000.00 -999 ? >SER~B 84 -28.60 -1.72 110.86 -29.30 0.49 111.12 -28.95 -0.62 110.99 2 0 1000.00 -999 ? >GLN~B 85 -30.49 -5.09 114.95 -30.56 -3.03 115.61 -30.53 -4.06 115.28 2 0 1000.00 -999 ? >SER~B 86 -26.20 -6.66 111.23 -27.56 -6.57 109.25 -26.88 -6.61 110.24 2 0 1000.00 -999 ? >TRP~B 87 -22.02 -1.35 109.59 -22.00 -1.10 105.69 -22.01 -1.22 107.64 3 0 1000.00 -999 ? >ILE~B 88 -24.59 -2.17 114.65 -24.45 -0.82 115.19 -24.52 -1.50 114.92 3 0 1000.00 -999 ? >LYS~B 89 -22.88 -6.23 114.88 -22.25 -10.81 118.07 -22.56 -8.52 116.47 2 0 1000.00 -999 ? >ALA~B 90 -20.30 -6.88 112.17 -20.49 -6.75 110.71 -20.40 -6.82 111.44 2 0 1000.00 -999 ? >LEU~B 91 -18.77 -2.49 113.43 -18.79 -0.98 111.94 -18.78 -1.74 112.69 3 0 1000.00 -999 ? >GLU~B 92 -19.40 -5.70 117.99 -20.78 -6.87 119.14 -20.09 -6.29 118.57 2 0 1000.00 -999 ? >ASP~B 93 -16.03 -9.48 113.55 -14.66 -10.67 112.33 -15.35 -10.07 112.94 2 0 1000.00 -999 ? >SER~B 94 -12.01 -7.00 113.32 -9.68 -7.60 113.66 -10.85 -7.30 113.49 2 0 1000.00 -999 ? >GLU~B 95 -10.64 -11.41 110.75 -8.78 -10.67 109.96 -9.71 -11.04 110.35 2 0 1000.00 -999 ? >PHE~B 96 -17.37 -6.50 108.99 -19.41 -5.21 107.50 -18.39 -5.85 108.24 3 0 1000.00 -999 ? >LEU~B 97 -12.54 -3.45 110.84 -13.87 -2.38 112.08 -13.21 -2.92 111.46 3 0 1000.00 -999 ? >ALA~B 98 -10.39 -5.17 107.44 -9.58 -6.44 107.66 -9.99 -5.81 107.55 2 0 1000.00 -999 ? >ILE~B 99 -14.08 -6.74 104.61 -14.71 -7.83 104.27 -14.39 -7.29 104.44 3 0 1000.00 -999 ? >LEU~B 100 -15.06 -1.84 106.29 -17.21 -1.95 106.30 -16.13 -1.90 106.30 3 0 1000.00 -999 ? >ARG~B 101 -8.23 -0.91 107.32 -8.70 -0.61 110.32 -8.47 -0.76 108.82 2 0 1000.00 -999 ? >LEU~B 102 -10.77 -4.20 100.93 -9.12 -5.57 101.11 -9.94 -4.88 101.02 3 0 1000.00 -999 ? >LEU~B 103 -15.16 -1.32 101.23 -17.06 -0.89 100.33 -16.11 -1.10 100.78 3 0 1000.00 -999 ? >PHE~B 104 -14.11 2.75 103.17 -16.50 2.34 104.58 -15.30 2.54 103.88 3 0 1000.00 -999 ? >HIS~B 105 -6.86 1.18 99.48 -4.82 1.69 99.49 -5.84 1.44 99.48 3 0 1000.00 -999 ? >HIS~B 106 -9.48 3.44 94.05 -8.70 4.32 92.31 -9.09 3.88 93.18 3 0 1000.00 -999 ? >ILE~B 107 -13.37 6.17 98.09 -14.64 5.92 98.06 -14.00 6.05 98.07 3 0 1000.00 -999 ? >VAL~B 108 -9.58 7.91 99.96 -9.68 6.75 101.74 -9.63 7.33 100.85 3 0 1000.00 -999 ? >THR~B 109 -6.93 8.37 97.29 -6.31 7.12 95.67 -6.62 7.74 96.48 2 0 1000.00 -999 ? >SER~B 110 -5.98 11.61 95.57 -6.09 12.66 97.82 -6.04 12.13 96.70 2 0 1000.00 -999 ? >GLU~B 111 -7.22 12.90 90.36 -8.78 12.09 91.62 -8.00 12.50 90.99 2 0 1000.00 -999 ? >SER~B 112 -2.78 14.98 93.62 -2.00 16.48 95.26 -2.39 15.73 94.44 2 0 1000.00 -999 ? >ALA~B 113 -1.23 12.38 95.93 -1.96 11.36 96.75 -1.60 11.87 96.34 2 0 1000.00 -999 ? >HIS~B 114 0.86 8.74 91.29 2.26 7.69 90.12 1.56 8.22 90.70 3 0 1000.00 -999 ? >GLU~B 115 0.39 14.71 90.51 0.66 14.35 88.39 0.52 14.53 89.45 2 0 1000.00 -999 ? >PHE~B 116 2.78 15.47 97.62 3.71 16.45 100.10 3.24 15.96 98.86 3 0 1000.00 -999 ? >ALA~B 117 5.00 11.32 95.94 4.30 10.02 96.20 4.65 10.67 96.07 2 0 1000.00 -999 ? >ALA~B 118 6.60 11.36 92.50 5.77 11.11 91.25 6.18 11.23 91.88 2 0 1000.00 -999 ? >ASN~B 119 8.08 15.40 91.14 6.20 16.44 91.05 7.14 15.92 91.09 2 0 1000.00 -999 ? >GLY~B 120 7.16 16.61 95.71 7.90 16.37 95.54 7.53 16.49 95.63 1 0 1000.00 -999 ? >ILE~B 121 11.46 15.71 98.25 12.08 15.18 98.06 11.77 15.44 98.16 3 0 1000.00 -999 ? >ASP~B 122 11.92 17.46 92.92 13.85 17.29 92.16 12.89 17.38 92.54 2 0 1000.00 -999 ? >ARG~B 123 6.84 20.43 91.83 4.66 22.60 92.54 5.75 21.52 92.19 2 0 1000.00 -999 ? >LEU~B 124 9.88 20.39 98.81 10.10 21.12 100.88 9.99 20.76 99.85 3 0 1000.00 -999 ? >TYR~B 125 16.15 20.15 97.10 18.88 20.17 97.51 17.51 20.16 97.31 3 0 1000.00 -999 ? >LYS~B 126 13.96 24.01 94.65 14.52 21.95 90.03 14.24 22.98 92.34 2 0 1000.00 -999 ? >MET?B 127 11.72 26.29 96.56 7.76 26.10 97.61 9.74 26.19 97.08 2 0 1000.00 -999 ? >VAL~B 128 13.98 26.06 99.63 14.68 24.65 101.20 14.33 25.36 100.41 3 0 1000.00 -999 ? >GLU~B 129 18.89 26.04 96.15 19.54 24.24 95.21 19.21 25.14 95.68 2 0 1000.00 -999 ? >SER~B 130 15.12 29.80 95.94 13.45 30.50 94.43 14.28 30.15 95.19 2 0 1000.00 -999 ? >GLN~B 131 12.05 30.77 99.48 11.17 32.61 99.12 11.61 31.69 99.30 2 0 1000.00 -999 ? >PHE~B 132 15.93 29.70 102.92 13.39 29.91 104.06 14.66 29.81 103.49 3 0 1000.00 -999 ? >GLY~B 133 20.42 29.53 98.77 20.02 29.00 99.29 20.22 29.27 99.03 1 0 1000.00 -999 ? >SER~B 134 22.81 26.56 99.33 24.65 27.43 98.04 23.73 26.99 98.69 2 0 1000.00 -999 ? >GLY~B 135 22.38 27.49 102.99 21.95 27.04 102.43 22.17 27.26 102.71 1 0 1000.00 -999 ? >GLY~B 136 18.85 26.07 102.70 19.50 25.69 102.48 19.17 25.88 102.59 1 0 1000.00 -999 ? >ASP~B 137 20.78 22.33 100.19 20.07 23.15 98.38 20.43 22.74 99.28 2 0 1000.00 -999 ? >LYS~B 138 21.74 21.63 104.47 24.36 20.67 109.30 23.05 21.15 106.88 2 0 1000.00 -999 ? >GLU~B 139 17.19 24.72 107.32 18.00 25.19 109.19 17.60 24.95 108.26 2 0 1000.00 -999 ? >LEU~B 140 15.80 21.09 103.12 14.03 20.52 102.10 14.91 20.80 102.61 3 0 1000.00 -999 ? >GLU~B 141 19.51 17.48 102.87 21.41 17.89 102.03 20.46 17.68 102.45 2 0 1000.00 -999 ? >TRP~B 142 18.60 18.38 111.69 16.91 21.75 112.85 17.76 20.07 112.27 3 0 1000.00 -999 ? >LEU~B 143 13.81 20.00 108.22 13.44 21.81 109.27 13.63 20.90 108.74 3 0 1000.00 -999 ? >ILE~B 144 14.14 15.49 105.32 14.01 15.23 103.98 14.07 15.36 104.65 3 0 1000.00 -999 ? >GLY~B 145 15.96 13.53 108.84 15.32 14.06 109.03 15.64 13.80 108.94 1 0 1000.00 -999 ? >ARG~B 146 13.39 16.32 114.61 14.22 18.80 116.26 13.80 17.56 115.43 2 0 1000.00 -999 ? >SER~B 147 11.02 13.92 110.36 10.53 15.81 109.02 10.78 14.87 109.69 2 0 1000.00 -999 ? >LEU~B 148 13.11 9.75 108.88 12.68 9.32 106.82 12.89 9.53 107.85 3 0 1000.00 -999 ? >ILE~B 149 14.41 11.09 114.07 15.15 10.18 114.44 14.78 10.63 114.26 3 0 1000.00 -999 ? >GLN~B 150 9.39 13.62 115.00 7.59 13.56 116.06 8.49 13.59 115.53 2 0 1000.00 -999 ? >MET?B 151 8.19 8.64 112.57 7.85 9.37 108.47 8.02 9.00 110.52 2 0 1000.00 -999 ? >SER~B 152 10.30 5.97 114.25 12.57 6.80 114.58 11.44 6.39 114.41 2 0 1000.00 -999 ? >LYS~B 153 9.66 6.78 117.92 12.88 10.35 120.04 11.27 8.56 118.98 2 0 1000.00 -999 ? >ALA~C 62 15.53 25.23 137.31 15.37 23.81 136.57 15.45 24.52 136.94 2 0 1000.00 -999 ? >ASP~C 63 20.08 25.71 137.15 19.93 23.80 136.17 20.01 24.75 136.66 2 0 1000.00 -999 ? >GLY~C 64 20.47 28.85 140.37 20.79 28.83 139.62 20.63 28.84 140.00 1 0 1000.00 -999 ? >ARG~C 65 23.56 35.52 141.16 20.61 36.34 140.71 22.08 35.93 140.94 2 0 1000.00 -999 ? >ILE~C 66 26.58 29.46 142.09 27.57 30.15 143.13 27.08 29.80 142.61 3 0 1000.00 -999 ? >PHE~C 67 24.89 25.17 137.44 25.26 23.25 135.42 25.08 24.21 136.43 3 0 1000.00 -999 ? >LYS~C 68 24.48 29.94 135.81 19.14 30.96 135.35 21.81 30.45 135.58 2 0 1000.00 -999 ? >MET?C 69 27.53 32.10 136.30 27.40 34.46 139.85 27.47 33.28 138.08 2 0 1000.00 -999 ? >PHE~C 70 30.50 26.66 136.44 32.17 24.53 135.76 31.34 25.59 136.10 3 0 1000.00 -999 ? >ILE~C 71 26.51 27.40 132.71 26.49 26.25 132.00 26.50 26.82 132.35 3 0 1000.00 -999 ? >GLU~C 72 26.72 32.95 131.11 25.59 34.00 132.61 26.16 33.48 131.86 2 0 1000.00 -999 ? >HIS~C 73 33.33 31.64 132.55 33.44 33.24 133.90 33.39 32.44 133.22 3 0 1000.00 -999 ? >LEU~C 74 30.91 26.33 129.49 32.37 25.74 131.02 31.64 26.04 130.25 3 0 1000.00 -999 ? >GLU~C 75 31.01 27.58 122.57 29.12 28.53 122.58 30.07 28.05 122.57 2 0 1000.00 -999 ? >PHE~C 76 26.99 23.65 126.83 27.87 23.15 129.44 27.43 23.40 128.13 3 0 1000.00 -999 ? >GLU~C 77 24.71 27.27 121.78 23.49 25.51 121.99 24.10 26.39 121.88 2 0 1000.00 -999 ? >LYS~C 78 29.33 24.60 118.66 29.34 30.40 118.22 29.33 27.50 118.44 2 0 1000.00 -999 ? >GLY~C 79 30.77 21.11 119.13 31.10 21.68 119.54 30.94 21.39 119.33 1 0 1000.00 -999 ? >LEU~C 80 33.15 17.74 121.66 33.42 16.65 123.50 33.28 17.19 122.58 3 0 1000.00 -999 ? >ASP~C 81 36.70 20.94 119.36 37.35 19.05 118.67 37.03 19.99 119.02 2 0 1000.00 -999 ? >ALA~C 82 34.47 24.23 121.14 33.21 24.67 120.47 33.84 24.45 120.81 2 0 1000.00 -999 ? >PHE~C 83 32.21 21.62 126.43 31.94 21.24 129.17 32.08 21.43 127.80 3 0 1000.00 -999 ? >SER~C 84 36.60 21.90 125.57 38.43 20.50 125.11 37.52 21.20 125.34 2 0 1000.00 -999 ? >GLN~C 85 38.47 25.38 121.46 40.35 24.32 121.30 39.41 24.85 121.38 2 0 1000.00 -999 ? >SER~C 86 35.98 27.03 126.07 33.70 26.93 126.89 34.84 26.98 126.48 2 0 1000.00 -999 ? >TRP~C 87 38.13 23.40 131.74 34.91 22.04 133.50 36.52 22.72 132.62 3 0 1000.00 -999 ? >ILE~C 88 41.52 24.91 127.84 42.44 24.06 127.30 41.98 24.49 127.57 3 0 1000.00 -999 ? >LYS~C 89 40.33 29.27 128.29 38.75 30.34 123.89 39.54 29.81 126.09 2 0 1000.00 -999 ? >ALA~C 90 38.11 29.70 131.38 36.71 29.15 131.51 37.41 29.42 131.44 2 0 1000.00 -999 ? >LEU~C 91 41.29 26.42 132.94 40.86 24.65 134.08 41.07 25.53 133.51 3 0 1000.00 -999 ? >GLU~C 92 43.26 31.49 131.14 44.71 31.14 129.68 43.98 31.32 130.41 2 0 1000.00 -999 ? >ASP~C 93 38.42 33.33 133.61 36.88 34.20 134.76 37.65 33.76 134.19 2 0 1000.00 -999 ? >SER~C 94 39.42 33.68 138.09 41.43 34.93 138.52 40.42 34.31 138.31 2 0 1000.00 -999 ? >GLU~C 95 33.36 34.77 138.54 31.60 35.03 137.31 32.48 34.90 137.93 2 0 1000.00 -999 ? >PHE~C 96 35.75 28.73 134.91 35.06 26.22 133.95 35.40 27.48 134.43 3 0 1000.00 -999 ? >LEU~C 97 39.88 29.41 139.09 41.67 28.24 138.54 40.78 28.83 138.82 3 0 1000.00 -999 ? >ALA~C 98 36.71 30.12 142.11 36.36 31.54 142.38 36.54 30.83 142.24 2 0 1000.00 -999 ? >ILE~C 99 32.39 28.88 140.23 31.05 29.51 139.87 31.72 29.19 140.05 3 0 1000.00 -999 ? >LEU~C 100 36.11 25.09 139.19 35.89 23.19 138.07 36.00 24.14 138.63 3 0 1000.00 -999 ? >ARG~C 101 39.53 25.73 145.56 42.26 26.60 144.47 40.90 26.16 145.02 2 0 1000.00 -999 ? >LEU~C 102 32.60 26.69 145.39 33.21 28.19 146.82 32.91 27.44 146.10 3 0 1000.00 -999 ? >LEU~C 103 31.65 22.88 141.70 30.09 24.08 140.68 30.87 23.48 141.19 3 0 1000.00 -999 ? >PHE~C 104 36.35 20.54 142.10 36.84 20.20 139.40 36.59 20.37 140.75 3 0 1000.00 -999 ? >HIS~C 105 34.64 22.85 149.57 34.64 22.99 151.66 34.64 22.92 150.62 3 0 1000.00 -999 ? >HIS~C 106 28.55 20.68 147.49 26.58 20.36 148.15 27.56 20.52 147.82 3 0 1000.00 -999 ? >ILE~C 107 31.40 16.47 145.22 31.34 16.66 143.82 31.37 16.56 144.52 3 0 1000.00 -999 ? >VAL~C 108 34.84 16.38 148.37 36.91 16.64 148.02 35.87 16.51 148.19 3 0 1000.00 -999 ? >THR~C 109 33.61 17.22 151.87 34.57 19.05 152.34 34.09 18.13 152.10 2 0 1000.00 -999 ? >SER~C 110 30.25 15.52 151.66 28.57 17.08 152.17 29.41 16.30 151.91 2 0 1000.00 -999 ? >GLU~C 111 29.56 9.73 151.61 30.87 8.59 152.79 30.22 9.16 152.20 2 0 1000.00 -999 ? >SER~C 112 26.01 10.65 149.16 26.05 8.71 147.67 26.03 9.68 148.42 2 0 1000.00 -999 ? >ALA~C 113 23.82 8.46 151.37 22.32 8.56 151.64 23.07 8.51 151.51 2 0 1000.00 -999 ? >HIS~C 114 24.34 4.36 146.72 25.20 2.72 145.71 24.77 3.54 146.21 3 0 1000.00 -999 ? >GLU~C 115 29.51 7.28 147.65 30.28 5.42 146.78 29.90 6.35 147.22 2 0 1000.00 -999 ? >PHE~C 116 27.55 6.95 155.41 27.95 6.50 158.10 27.75 6.72 156.76 3 0 1000.00 -999 ? >ALA~C 117 25.67 3.11 153.40 24.46 2.91 152.56 25.07 3.01 152.98 2 0 1000.00 -999 ? >ALA~C 118 28.22 0.82 151.75 28.31 0.65 150.27 28.26 0.74 151.01 2 0 1000.00 -999 ? >ASN~C 119 30.91 2.64 155.45 29.46 2.26 157.01 30.18 2.45 156.23 2 0 1000.00 -999 ? >GLY~C 120 33.29 -1.08 155.83 32.74 -0.73 156.26 33.02 -0.90 156.05 1 0 1000.00 -999 ? >ILE~C 121 32.12 0.03 160.45 33.04 -0.34 161.39 32.58 -0.16 160.92 3 0 1000.00 -999 ? >ASP~C 122 27.74 -1.07 157.87 25.82 -1.79 158.24 26.78 -1.43 158.05 2 0 1000.00 -999 ? >ARG~C 123 31.33 -4.70 152.09 33.05 -2.06 151.60 32.19 -3.38 151.84 2 0 1000.00 -999 ? >LEU~C 124 32.97 -5.35 159.55 34.19 -6.29 161.08 33.58 -5.82 160.32 3 0 1000.00 -999 ? >TYR~C 125 27.33 -4.91 162.58 25.06 -5.29 164.04 26.19 -5.10 163.31 3 0 1000.00 -999 ? >LYS~C 126 26.75 -7.78 158.94 23.74 -4.26 156.25 25.24 -6.02 157.60 2 0 1000.00 -999 ? >MET?C 127 29.25 -10.54 158.27 32.74 -10.22 156.09 31.00 -10.38 157.18 2 0 1000.00 -999 ? >VAL~C 128 29.76 -11.06 162.01 31.01 -10.29 163.59 30.38 -10.67 162.80 3 0 1000.00 -999 ? >GLU~C 129 23.75 -10.39 162.37 22.64 -8.58 162.27 23.20 -9.48 162.32 2 0 1000.00 -999 ? >SER~C 130 25.57 -13.45 159.96 25.67 -14.00 157.65 25.62 -13.72 158.80 2 0 1000.00 -999 ? >GLN~C 131 30.31 -17.01 161.13 29.87 -18.52 159.77 30.09 -17.77 160.45 2 0 1000.00 -999 ? >PHE~C 132 30.32 -15.48 164.91 32.68 -16.50 163.86 31.50 -15.99 164.39 3 0 1000.00 -999 ? >GLY~C 133 24.56 -13.70 165.75 25.31 -13.38 165.87 24.94 -13.54 165.81 1 0 1000.00 -999 ? >SER~C 134 24.16 -11.09 168.47 22.25 -11.73 169.68 23.20 -11.41 169.08 2 0 1000.00 -999 ? >GLY~C 135 26.55 -13.14 170.52 26.58 -12.63 169.87 26.56 -12.89 170.19 1 0 1000.00 -999 ? >GLY~C 136 29.12 -12.21 167.82 28.56 -11.71 168.14 28.84 -11.96 167.98 1 0 1000.00 -999 ? >ASP~C 137 26.39 -8.26 167.42 25.76 -8.50 165.40 26.08 -8.38 166.41 2 0 1000.00 -999 ? >LYS~C 138 28.50 -8.04 171.27 26.91 -7.55 176.78 27.71 -7.80 174.03 2 0 1000.00 -999 ? >GLU~C 139 33.67 -11.49 170.45 34.60 -11.39 172.35 34.13 -11.44 171.40 2 0 1000.00 -999 ? >LEU~C 140 31.74 -7.41 166.58 32.59 -6.45 164.78 32.16 -6.93 165.68 3 0 1000.00 -999 ? >GLU~C 141 29.24 -3.78 169.08 27.24 -4.14 169.74 28.24 -3.96 169.41 2 0 1000.00 -999 ? >TRP~C 142 35.76 -5.42 175.10 38.17 -8.43 174.27 36.97 -6.93 174.68 3 0 1000.00 -999 ? >LEU~C 143 36.80 -6.85 168.98 37.70 -8.76 169.10 37.25 -7.81 169.04 3 0 1000.00 -999 ? >ILE~C 144 34.88 -2.12 167.46 34.18 -1.82 166.43 34.53 -1.97 166.95 3 0 1000.00 -999 ? >GLY~C 145 36.19 -0.53 171.40 36.75 -1.05 171.07 36.47 -0.79 171.24 1 0 1000.00 -999 ? >ARG~C 146 41.28 -4.81 174.26 42.93 -7.41 174.68 42.11 -6.11 174.47 2 0 1000.00 -999 ? >SER~C 147 40.78 -1.16 169.03 40.20 -2.94 167.55 40.49 -2.05 168.29 2 0 1000.00 -999 ? >LEU~C 148 38.20 2.96 169.62 38.23 5.09 169.08 38.22 4.03 169.35 3 0 1000.00 -999 ? >ILE~C 149 40.83 1.96 173.98 40.26 2.11 174.69 40.55 2.03 174.33 3 0 1000.00 -999 ? >GLN~C 150 46.25 -0.55 170.83 46.55 -2.04 169.37 46.40 -1.29 170.10 2 0 1000.00 -999 ? >MET?C 151 44.65 3.83 168.98 42.12 3.38 165.68 43.39 3.60 167.33 2 0 1000.00 -999 ? >SER~C 152 44.58 6.59 171.65 42.38 6.34 172.52 43.48 6.46 172.08 2 0 1000.00 -999 ? >LYS~C 153 47.90 5.15 172.90 49.31 2.80 170.68 48.61 3.98 171.79 2 0 1000.00 -999 ? >GLY~D 64 37.66 37.98 148.32 36.83 37.81 148.40 37.24 37.89 148.36 1 0 1000.00 -999 ? >ARG~D 65 36.39 35.70 141.44 39.38 36.63 141.57 37.89 36.16 141.50 2 0 1000.00 -999 ? >ILE~D 66 34.10 33.65 148.43 34.16 32.41 149.23 34.13 33.03 148.83 3 0 1000.00 -999 ? >PHE~D 67 32.01 39.51 150.44 30.30 41.37 151.60 31.15 40.44 151.02 3 0 1000.00 -999 ? >LYS~D 68 31.31 39.28 145.66 36.10 42.52 144.44 33.70 40.90 145.05 2 0 1000.00 -999 ? >MET?D 69 29.61 36.09 144.53 31.51 32.53 143.46 30.56 34.31 143.99 2 0 1000.00 -999 ? >PHE~D 70 27.15 35.81 150.22 25.14 35.76 152.18 26.14 35.79 151.20 3 0 1000.00 -999 ? >ILE~D 71 27.48 40.62 147.18 26.92 41.33 148.15 27.20 40.97 147.66 3 0 1000.00 -999 ? >GLU~D 72 27.39 39.31 142.35 28.55 38.38 140.87 27.97 38.84 141.61 2 0 1000.00 -999 ? >HIS~D 73 23.23 34.51 145.20 24.39 32.90 144.51 23.81 33.70 144.85 3 0 1000.00 -999 ? >LEU~D 74 21.82 39.80 148.37 21.88 38.28 149.86 21.85 39.04 149.12 3 0 1000.00 -999 ? >GLU~D 75 17.11 43.73 144.75 18.51 44.85 143.55 17.81 44.29 144.15 2 0 1000.00 -999 ? >PHE~D 76 22.44 44.94 149.13 23.73 43.06 150.71 23.09 44.00 149.92 3 0 1000.00 -999 ? >GLU~D 77 20.51 49.30 145.43 21.69 49.28 143.69 21.10 49.29 144.56 2 0 1000.00 -999 ? >LYS~D 78 14.67 47.92 146.32 14.78 46.36 141.22 14.72 47.14 143.77 2 0 1000.00 -999 ? >GLY~D 79 13.99 47.94 150.03 14.29 47.26 149.68 14.14 47.60 149.85 1 0 1000.00 -999 ? >LEU~D 80 13.00 45.61 154.07 14.28 46.26 155.73 13.64 45.94 154.90 3 0 1000.00 -999 ? >ASP~D 81 9.65 43.51 150.76 8.36 43.37 152.39 9.00 43.44 151.57 2 0 1000.00 -999 ? >ALA~D 82 12.97 42.76 147.93 13.31 43.87 146.98 13.14 43.32 147.46 2 0 1000.00 -999 ? >PHE~D 83 17.95 42.29 151.48 20.28 41.44 152.81 19.12 41.87 152.15 3 0 1000.00 -999 ? >SER~D 84 14.10 39.25 151.91 12.76 40.43 153.59 13.43 39.84 152.75 2 0 1000.00 -999 ? >GLN~D 85 11.13 39.08 147.63 10.20 37.70 148.94 10.66 38.39 148.29 2 0 1000.00 -999 ? >SER~D 86 16.67 37.58 147.16 17.07 39.92 147.36 16.87 38.75 147.26 2 0 1000.00 -999 ? >TRP~D 87 18.95 34.42 152.95 21.95 36.60 154.13 20.45 35.51 153.54 3 0 1000.00 -999 ? >ILE~D 88 13.60 33.64 150.73 12.54 33.46 151.61 13.07 33.55 151.17 3 0 1000.00 -999 ? >LYS~D 89 15.40 32.58 146.57 12.34 31.62 142.85 13.87 32.10 144.71 2 0 1000.00 -999 ? >ALA~D 90 19.10 32.18 147.08 19.97 33.25 147.64 19.54 32.72 147.36 2 0 1000.00 -999 ? >LEU~D 91 17.63 30.08 151.12 18.54 30.46 153.08 18.08 30.27 152.10 3 0 1000.00 -999 ? >GLU~D 92 14.51 27.74 147.07 13.00 28.53 145.77 13.76 28.13 146.42 2 0 1000.00 -999 ? >ASP~D 93 20.81 28.43 144.55 22.87 28.24 143.85 21.84 28.33 144.20 2 0 1000.00 -999 ? >SER~D 94 22.33 24.41 146.76 23.00 22.16 147.19 22.66 23.29 146.98 2 0 1000.00 -999 ? >GLU~D 95 26.50 25.05 143.68 27.42 23.35 144.72 26.96 24.20 144.20 2 0 1000.00 -999 ? >PHE~D 96 23.07 31.22 148.40 22.76 33.63 149.82 22.92 32.43 149.11 3 0 1000.00 -999 ? >LEU~D 97 22.92 25.99 150.81 21.25 26.32 152.07 22.08 26.15 151.44 3 0 1000.00 -999 ? >ALA~D 98 27.44 25.74 150.50 28.05 25.24 149.19 27.74 25.49 149.85 2 0 1000.00 -999 ? >ILE~D 99 28.60 30.38 149.75 29.33 31.35 148.79 28.96 30.86 149.27 3 0 1000.00 -999 ? >LEU~D 100 25.16 30.17 153.98 24.14 32.08 154.22 24.65 31.12 154.10 3 0 1000.00 -999 ? >ARG~D 101 26.86 23.54 154.66 24.11 22.31 154.29 25.49 22.92 154.47 2 0 1000.00 -999 ? >LEU~D 102 31.97 28.79 153.67 33.56 27.81 152.61 32.76 28.30 153.14 3 0 1000.00 -999 ? >LEU~D 103 29.55 32.37 156.31 29.39 34.34 157.04 29.47 33.36 156.67 3 0 1000.00 -999 ? >PHE~D 104 26.57 29.93 159.22 24.50 31.55 158.28 25.54 30.74 158.75 3 0 1000.00 -999 ? >HIS~D 105 32.89 24.86 159.38 33.54 22.96 159.99 33.22 23.91 159.69 3 0 1000.00 -999 ? >HIS~D 106 35.25 31.74 161.46 37.05 32.76 161.81 36.15 32.25 161.63 3 0 1000.00 -999 ? >ILE~D 107 30.35 31.09 163.95 29.65 32.28 163.73 30.00 31.69 163.84 3 0 1000.00 -999 ? >VAL~D 108 30.42 26.78 165.52 28.87 26.31 164.13 29.64 26.55 164.83 3 0 1000.00 -999 ? >THR~D 109 33.91 25.33 166.33 35.63 24.68 165.04 34.77 25.01 165.68 2 0 1000.00 -999 ? >SER~D 110 35.10 25.79 169.97 33.83 24.79 171.81 34.47 25.29 170.89 2 0 1000.00 -999 ? >GLU~D 111 38.60 28.06 172.42 36.57 28.81 172.51 37.58 28.44 172.47 2 0 1000.00 -999 ? >SER~D 112 35.67 24.01 174.89 33.59 24.50 176.17 34.63 24.26 175.53 2 0 1000.00 -999 ? >ALA~D 113 35.59 21.27 172.16 34.68 21.59 170.95 35.14 21.43 171.56 2 0 1000.00 -999 ? >HIS~D 114 41.56 21.30 170.17 43.47 20.49 169.80 42.52 20.90 169.99 3 0 1000.00 -999 ? >GLU~D 115 38.93 20.81 177.11 40.57 19.59 177.75 39.75 20.20 177.43 2 0 1000.00 -999 ? >PHE~D 116 34.60 16.55 175.00 32.92 14.32 174.79 33.76 15.43 174.89 3 0 1000.00 -999 ? >ALA~D 117 38.27 15.80 172.00 38.14 16.43 170.62 38.21 16.12 171.31 2 0 1000.00 -999 ? >ALA~D 118 41.84 15.38 173.27 42.66 16.66 173.49 42.25 16.02 173.38 2 0 1000.00 -999 ? >ASN~D 119 42.37 14.42 177.57 41.53 16.31 178.10 41.95 15.37 177.83 2 0 1000.00 -999 ? >GLY~D 120 37.74 12.92 177.19 38.33 12.37 177.03 38.04 12.65 177.11 1 0 1000.00 -999 ? >ILE~D 121 38.79 8.37 175.53 39.51 8.48 174.89 39.15 8.43 175.21 3 0 1000.00 -999 ? >ASP~D 122 42.09 10.31 179.48 43.77 9.35 178.69 42.93 9.83 179.08 2 0 1000.00 -999 ? >ARG~D 123 39.25 14.77 181.88 36.84 16.39 182.92 38.05 15.58 182.40 2 0 1000.00 -999 ? >LEU~D 124 35.50 8.44 179.48 33.38 7.86 179.49 34.44 8.15 179.49 3 0 1000.00 -999 ? >TYR~D 125 39.63 4.32 180.31 39.78 1.99 178.76 39.71 3.16 179.54 3 0 1000.00 -999 ? >LYS~D 126 39.45 6.95 185.09 42.94 7.93 183.23 41.19 7.44 184.16 2 0 1000.00 -999 ? >MET?D 127 35.83 7.69 185.93 33.09 10.71 185.18 34.46 9.20 185.56 2 0 1000.00 -999 ? >VAL~D 128 34.71 4.16 184.98 34.10 3.19 183.13 34.40 3.68 184.05 3 0 1000.00 -999 ? >GLU~D 129 39.64 1.77 185.63 41.19 2.72 184.53 40.42 2.25 185.08 2 0 1000.00 -999 ? >SER~D 130 37.13 4.60 189.94 36.33 6.87 190.01 36.73 5.74 189.98 2 0 1000.00 -999 ? >GLN~D 131 32.54 5.80 189.52 31.42 6.35 191.22 31.98 6.07 190.37 2 0 1000.00 -999 ? >PHE~D 132 31.71 0.75 187.24 29.44 2.39 186.85 30.57 1.57 187.04 3 0 1000.00 -999 ? >GLY~D 133 37.09 -1.40 189.15 36.71 -1.12 188.46 36.90 -1.26 188.81 1 0 1000.00 -999 ? >SER~D 134 38.63 -3.17 186.14 40.79 -3.64 187.01 39.71 -3.40 186.58 2 0 1000.00 -999 ? >GLY~D 135 35.32 -4.80 185.32 35.68 -4.01 185.23 35.50 -4.41 185.28 1 0 1000.00 -999 ? >GLY~D 136 34.78 -1.20 184.19 35.26 -1.69 183.86 35.02 -1.45 184.03 1 0 1000.00 -999 ? >ASP~D 137 38.74 -1.50 181.33 39.81 -0.22 182.61 39.28 -0.86 181.97 2 0 1000.00 -999 ? >LYS~D 138 36.01 -4.33 179.53 34.92 -9.20 177.12 35.47 -6.76 178.32 2 0 1000.00 -999 ? >GLU~D 139 30.59 -1.89 181.01 29.13 -3.38 180.97 29.86 -2.63 180.99 2 0 1000.00 -999 ? >LEU~D 140 34.22 1.71 179.18 34.41 3.81 178.89 34.32 2.76 179.04 3 0 1000.00 -999 ? >GLU~D 141 37.63 -1.27 176.24 39.07 -2.80 176.51 38.35 -2.04 176.37 2 0 1000.00 -999 ? >TRP~D 142 29.48 -4.24 173.72 26.67 -3.91 176.49 28.07 -4.08 175.10 3 0 1000.00 -999 ? >LEU~D 143 29.59 1.27 176.02 28.01 0.80 177.38 28.80 1.03 176.70 3 0 1000.00 -999 ? >ILE~D 144 33.76 2.77 173.01 34.84 3.69 173.23 34.30 3.23 173.12 3 0 1000.00 -999 ? >GLY~D 145 32.38 -0.39 170.13 31.78 0.12 170.45 32.08 -0.14 170.29 1 0 1000.00 -999 ? >ARG~D 146 25.59 -1.57 171.74 22.62 -2.23 172.15 24.11 -1.90 171.94 2 0 1000.00 -999 ? >SER~D 147 28.65 3.45 169.53 28.76 4.33 171.74 28.71 3.89 170.63 2 0 1000.00 -999 ? >LEU~D 148 31.94 2.49 166.21 33.76 3.52 166.66 32.85 3.01 166.43 3 0 1000.00 -999 ? >ILE~D 149 27.80 -0.94 165.60 28.19 -1.64 165.40 28.00 -1.29 165.50 3 0 1000.00 -999 ? >GLN~D 150 24.39 3.64 167.79 22.55 4.02 166.89 23.47 3.83 167.34 2 0 1000.00 -999 ? >MET?D 151 27.32 5.41 163.49 30.29 7.57 165.76 28.81 6.49 164.63 2 0 1000.00 -999 ? >SER~D 152 27.75 2.93 160.74 28.04 0.69 161.57 27.90 1.81 161.15 2 0 1000.00 -999 ? >LYS~D 153 23.98 2.17 160.42 22.59 -1.56 164.55 23.29 0.30 162.48 2 0 1000.00 -999 ? >ASP~E 63 11.62 12.52 173.22 11.42 11.29 171.45 11.52 11.91 172.33 2 0 1000.00 -999 ? >GLY~E 64 16.06 13.06 173.65 15.55 13.48 174.25 15.81 13.27 173.95 1 0 1000.00 -999 ? >ARG~E 65 18.83 13.81 180.07 18.65 11.13 181.61 18.74 12.47 180.84 2 0 1000.00 -999 ? >ILE~E 66 21.06 16.88 174.49 22.11 17.96 174.85 21.58 17.42 174.67 3 0 1000.00 -999 ? >PHE~E 67 15.27 18.64 171.89 13.64 20.39 170.50 14.45 19.52 171.20 3 0 1000.00 -999 ? >LYS~E 68 14.92 18.27 176.97 11.10 14.67 175.81 13.01 16.47 176.39 2 0 1000.00 -999 ? >MET?E 69 17.34 20.38 178.99 20.71 18.27 179.97 19.03 19.32 179.48 2 0 1000.00 -999 ? >PHE~E 70 17.87 23.63 173.71 17.94 25.90 172.10 17.90 24.77 172.90 3 0 1000.00 -999 ? >ILE~E 71 12.61 22.80 174.94 12.77 21.53 174.96 12.69 22.17 174.95 3 0 1000.00 -999 ? >GLU~E 72 14.64 22.68 181.47 15.35 20.76 182.19 14.99 21.72 181.83 2 0 1000.00 -999 ? >HIS~E 73 17.53 26.93 179.69 19.17 26.24 180.78 18.35 26.59 180.23 3 0 1000.00 -999 ? >LEU~E 74 12.51 27.47 175.84 14.33 28.10 174.78 13.42 27.78 175.31 3 0 1000.00 -999 ? >GLU~E 75 6.94 30.57 179.05 6.44 29.02 180.36 6.69 29.79 179.70 2 0 1000.00 -999 ? >PHE~E 76 7.47 26.11 174.13 9.70 25.69 172.52 8.59 25.90 173.32 3 0 1000.00 -999 ? >GLU~E 77 3.28 26.30 178.96 2.48 25.04 177.45 2.88 25.67 178.20 2 0 1000.00 -999 ? >LYS~E 78 2.59 32.16 177.55 3.19 32.07 183.46 2.89 32.11 180.51 2 0 1000.00 -999 ? >GLY~E 79 2.35 33.81 174.09 3.02 33.39 174.39 2.68 33.60 174.24 1 0 1000.00 -999 ? >LEU~E 80 5.04 35.16 170.33 6.55 34.82 168.84 5.80 34.99 169.58 3 0 1000.00 -999 ? >ASP~E 81 6.25 38.45 174.24 4.92 39.03 172.78 5.59 38.74 173.51 2 0 1000.00 -999 ? >ALA~E 82 7.22 34.98 176.88 6.11 34.19 177.56 6.66 34.58 177.22 2 0 1000.00 -999 ? >PHE~E 83 9.44 31.05 172.52 11.30 29.57 171.05 10.37 30.31 171.78 3 0 1000.00 -999 ? >SER~E 84 10.98 35.29 172.99 10.90 36.47 171.02 10.94 35.88 172.01 2 0 1000.00 -999 ? >GLN~E 85 11.70 38.45 178.14 11.17 40.31 177.17 11.44 39.38 177.66 2 0 1000.00 -999 ? >SER~E 86 12.92 33.31 177.88 11.70 31.55 176.86 12.31 32.43 177.37 2 0 1000.00 -999 ? >TRP~E 87 17.17 33.01 172.26 16.71 29.60 170.45 16.94 31.31 171.36 3 0 1000.00 -999 ? >ILE~E 88 16.52 37.61 175.50 16.89 38.41 174.19 16.70 38.01 174.84 3 0 1000.00 -999 ? >LYS~E 89 17.39 35.34 179.21 17.07 37.42 183.24 17.23 36.38 181.23 2 0 1000.00 -999 ? >ALA~E 90 18.35 31.76 178.37 17.49 30.72 177.70 17.92 31.24 178.03 2 0 1000.00 -999 ? >LEU~E 91 20.99 33.02 174.58 20.35 34.37 173.14 20.67 33.70 173.86 3 0 1000.00 -999 ? >GLU~E 92 22.05 35.74 180.48 21.40 37.77 180.50 21.73 36.75 180.49 2 0 1000.00 -999 ? >ASP~E 93 21.89 30.10 181.45 22.31 28.07 181.88 22.10 29.09 181.66 2 0 1000.00 -999 ? >SER~E 94 26.00 29.07 179.15 27.89 29.33 180.67 26.94 29.19 179.91 2 0 1000.00 -999 ? >GLU~E 95 23.19 23.51 180.18 21.59 22.69 181.33 22.39 23.10 180.76 2 0 1000.00 -999 ? >PHE~E 96 19.86 28.16 176.18 18.11 28.91 174.16 18.99 28.54 175.17 3 0 1000.00 -999 ? >LEU~E 97 25.49 29.39 175.54 25.80 31.46 175.15 25.65 30.42 175.34 3 0 1000.00 -999 ? >ALA~E 98 26.90 25.36 174.85 27.67 24.71 175.96 27.29 25.03 175.40 2 0 1000.00 -999 ? >ILE~E 99 22.65 22.86 174.72 21.70 22.07 175.39 22.18 22.46 175.05 3 0 1000.00 -999 ? >LEU~E 100 22.49 27.06 171.47 21.28 28.08 169.98 21.88 27.57 170.72 3 0 1000.00 -999 ? >ARG~E 101 29.86 25.87 170.56 31.07 28.66 170.03 30.47 27.27 170.30 2 0 1000.00 -999 ? >LEU~E 102 25.79 21.11 170.99 27.28 19.57 170.70 26.53 20.34 170.84 3 0 1000.00 -999 ? >LEU~E 103 21.44 22.37 168.31 20.26 21.67 169.94 20.85 22.02 169.12 3 0 1000.00 -999 ? >PHE~E 104 23.77 26.83 166.05 21.84 28.74 166.72 22.81 27.79 166.39 3 0 1000.00 -999 ? >HIS~E 105 29.54 21.50 165.38 30.93 20.09 164.71 30.23 20.80 165.04 3 0 1000.00 -999 ? >HIS~E 106 23.83 17.67 164.27 23.26 15.69 163.89 23.55 16.68 164.08 3 0 1000.00 -999 ? >ILE~E 107 22.22 21.73 160.96 21.03 22.22 161.67 21.63 21.97 161.31 3 0 1000.00 -999 ? >VAL~E 108 26.56 23.30 159.85 27.47 25.14 160.44 27.02 24.22 160.14 3 0 1000.00 -999 ? >THR~E 109 29.03 20.42 159.58 29.87 20.16 161.55 29.45 20.29 160.56 2 0 1000.00 -999 ? >SER~E 110 26.66 17.88 158.14 24.85 16.33 158.58 25.75 17.10 158.36 2 0 1000.00 -999 ? >GLU~E 111 24.77 19.13 152.84 25.69 18.99 150.90 25.23 19.06 151.87 2 0 1000.00 -999 ? >SER~E 112 20.83 17.10 153.84 18.69 17.58 152.71 19.76 17.34 153.27 2 0 1000.00 -999 ? >ALA~E 113 20.82 14.06 151.54 20.06 12.77 151.77 20.44 13.42 151.65 2 0 1000.00 -999 ? >HIS~E 114 16.26 17.38 148.94 15.22 18.62 147.59 15.74 18.00 148.26 3 0 1000.00 -999 ? >GLU~E 115 21.55 20.33 151.07 20.82 21.68 152.60 21.19 21.00 151.83 2 0 1000.00 -999 ? >PHE~E 116 25.63 15.35 148.44 27.87 14.23 147.20 26.75 14.79 147.82 3 0 1000.00 -999 ? >ALA~E 117 21.88 15.35 145.45 20.59 14.65 145.61 21.24 15.00 145.53 2 0 1000.00 -999 ? >ALA~E 118 21.34 18.76 143.78 20.16 19.72 144.11 20.75 19.24 143.94 2 0 1000.00 -999 ? >ASN~E 119 26.17 18.79 144.32 26.64 17.06 143.17 26.40 17.92 143.75 2 0 1000.00 -999 ? >GLY~E 120 26.41 21.38 140.66 26.65 20.66 140.86 26.53 21.02 140.76 1 0 1000.00 -999 ? >ILE~E 121 30.06 18.19 140.24 31.22 18.36 139.40 30.64 18.28 139.82 3 0 1000.00 -999 ? >ASP~E 122 25.49 15.60 139.89 24.30 14.07 138.99 24.90 14.84 139.44 2 0 1000.00 -999 ? >ARG~E 123 21.80 21.93 137.49 21.95 22.71 140.57 21.88 22.32 139.03 2 0 1000.00 -999 ? >LEU~E 124 28.57 19.98 135.52 29.95 20.64 134.08 29.26 20.31 134.80 3 0 1000.00 -999 ? >TYR~E 125 28.05 13.74 134.64 28.67 11.33 133.47 28.36 12.53 134.05 3 0 1000.00 -999 ? >LYS~E 126 24.10 15.45 132.88 20.83 13.17 137.40 22.46 14.31 135.14 2 0 1000.00 -999 ? >MET?E 127 24.14 18.61 130.89 24.41 22.81 131.40 24.28 20.71 131.15 2 0 1000.00 -999 ? >VAL~E 128 27.38 17.60 129.16 29.55 17.68 129.39 28.46 17.64 129.27 3 0 1000.00 -999 ? >GLU~E 129 24.94 11.91 129.09 24.59 10.67 130.74 24.77 11.29 129.91 2 0 1000.00 -999 ? >SER~E 130 22.61 15.40 127.24 20.64 16.80 127.33 21.63 16.10 127.29 2 0 1000.00 -999 ? >GLN~E 131 25.75 19.58 124.11 24.30 20.30 122.76 25.03 19.94 123.43 2 0 1000.00 -999 ? >PHE~E 132 28.93 17.50 124.02 29.02 20.23 123.50 28.97 18.87 123.76 3 0 1000.00 -999 ? >GLY~E 133 26.89 11.87 124.94 27.43 12.35 125.36 27.16 12.11 125.15 1 0 1000.00 -999 ? >SER~E 134 29.34 9.60 126.64 29.64 7.59 125.42 29.49 8.60 126.03 2 0 1000.00 -999 ? >GLY~E 135 32.03 11.07 124.41 31.58 11.40 125.04 31.80 11.23 124.73 1 0 1000.00 -999 ? >GLY~E 136 31.44 14.34 126.21 31.52 13.58 126.54 31.48 13.96 126.38 1 0 1000.00 -999 ? >ASP~E 137 30.59 11.26 129.82 28.49 11.56 130.08 29.54 11.41 129.95 2 0 1000.00 -999 ? >LYS~E 138 34.85 11.17 128.90 38.82 7.47 127.60 36.84 9.32 128.24 2 0 1000.00 -999 ? >GLU~E 139 36.11 16.67 126.36 38.12 16.65 125.83 37.12 16.66 126.10 2 0 1000.00 -999 ? >LEU~E 140 33.05 16.39 131.09 32.33 17.32 132.91 32.69 16.85 132.00 3 0 1000.00 -999 ? >GLU~E 141 34.83 12.12 133.71 34.09 10.28 133.16 34.46 11.20 133.44 2 0 1000.00 -999 ? >TRP~E 142 42.43 14.52 130.35 42.77 17.98 128.43 42.60 16.25 129.39 3 0 1000.00 -999 ? >LEU~E 143 37.76 19.31 131.27 37.78 20.02 129.22 37.77 19.67 130.24 3 0 1000.00 -999 ? >ILE~E 144 36.73 17.26 136.13 35.55 16.99 136.88 36.14 17.13 136.51 3 0 1000.00 -999 ? >GLY~E 145 40.97 16.10 136.25 40.85 16.88 135.91 40.91 16.49 136.08 1 0 1000.00 -999 ? >ARG~E 146 44.67 19.66 131.25 45.14 22.40 129.95 44.91 21.03 130.60 2 0 1000.00 -999 ? >SER~E 147 41.45 21.43 136.61 39.56 21.98 135.28 40.50 21.70 135.95 2 0 1000.00 -999 ? >LEU~E 148 41.39 18.38 140.32 41.82 17.91 142.44 41.60 18.15 141.38 3 0 1000.00 -999 ? >ILE~E 149 46.21 18.18 138.16 46.98 17.26 137.71 46.60 17.72 137.94 3 0 1000.00 -999 ? >GLN~E 150 45.90 24.64 136.53 44.40 26.02 135.92 45.15 25.33 136.23 2 0 1000.00 -999 ? >MET?E 151 44.59 23.73 141.48 40.41 23.76 141.91 42.50 23.75 141.69 2 0 1000.00 -999 ? >SER~E 152 47.09 21.66 143.38 48.08 19.84 142.18 47.58 20.75 142.78 2 0 1000.00 -999 ? >LYS~E 153 49.99 23.69 141.87 52.03 19.91 138.55 51.01 21.80 140.21 2 0 1000.00 -999 ? >GLY~F 64 35.04 20.52 180.32 34.45 20.61 179.73 34.75 20.56 180.03 1 0 1000.00 -999 ? >ARG~F 65 29.43 24.65 180.02 27.33 23.95 182.18 28.38 24.30 181.10 2 0 1000.00 -999 ? >ILE~F 66 31.49 19.56 175.82 31.68 19.40 174.43 31.58 19.48 175.13 3 0 1000.00 -999 ? >PHE~F 67 33.87 15.52 180.33 34.65 13.07 181.42 34.26 14.30 180.88 3 0 1000.00 -999 ? >LYS~F 68 29.81 17.84 182.06 26.75 21.82 186.01 28.28 19.83 184.04 2 0 1000.00 -999 ? >MET?F 69 26.75 17.20 179.92 25.60 20.16 177.31 26.18 18.68 178.61 2 0 1000.00 -999 ? >PHE~F 70 29.81 12.56 177.37 30.43 10.02 176.47 30.12 11.29 176.92 3 0 1000.00 -999 ? >ILE~F 71 28.98 13.04 182.99 29.88 12.06 183.10 29.43 12.55 183.05 3 0 1000.00 -999 ? >GLU~F 72 24.72 16.57 182.19 24.44 17.31 184.16 24.58 16.94 183.17 2 0 1000.00 -999 ? >HIS~F 73 23.37 11.81 178.02 22.63 13.04 176.50 23.00 12.42 177.26 3 0 1000.00 -999 ? >LEU~F 74 26.74 8.11 181.91 27.43 7.68 179.86 27.09 7.90 180.88 3 0 1000.00 -999 ? >GLU~F 75 22.97 5.27 187.06 22.36 6.81 188.38 22.67 6.04 187.72 2 0 1000.00 -999 ? >PHE~F 76 29.37 7.34 186.37 30.67 7.81 183.93 30.02 7.58 185.15 3 0 1000.00 -999 ? >GLU~F 77 24.82 7.66 191.59 26.76 8.26 192.10 25.79 7.96 191.85 2 0 1000.00 -999 ? >LYS~F 78 24.12 2.05 190.43 18.83 5.12 190.84 21.47 3.58 190.64 2 0 1000.00 -999 ? >GLY~F 79 26.77 -0.28 189.19 26.31 0.12 188.65 26.54 -0.08 188.92 1 0 1000.00 -999 ? >LEU~F 80 28.45 -3.04 185.57 30.57 -2.58 185.46 29.51 -2.81 185.52 3 0 1000.00 -999 ? >ASP~F 81 23.22 -3.66 185.02 23.80 -5.63 184.75 23.51 -4.65 184.89 2 0 1000.00 -999 ? >ALA~F 82 22.50 0.59 185.16 22.18 1.15 186.55 22.34 0.87 185.85 2 0 1000.00 -999 ? >PHE~F 83 27.94 2.90 183.16 29.74 4.37 181.56 28.84 3.64 182.36 3 0 1000.00 -999 ? >SER~F 84 25.10 0.30 180.28 26.32 -1.72 180.46 25.71 -0.71 180.37 2 0 1000.00 -999 ? >GLN~F 85 19.91 -0.81 181.72 20.10 -1.96 179.88 20.01 -1.39 180.80 2 0 1000.00 -999 ? >SER~F 86 22.03 4.58 180.61 24.04 5.20 181.74 23.04 4.89 181.18 2 0 1000.00 -999 ? >TRP~F 87 26.60 4.04 175.23 29.97 5.68 176.33 28.29 4.86 175.78 3 0 1000.00 -999 ? >ILE~F 88 21.97 1.04 175.62 21.94 -0.25 175.46 21.96 0.40 175.54 3 0 1000.00 -999 ? >LYS~F 89 19.40 4.62 176.07 15.55 4.99 176.74 17.47 4.80 176.41 2 0 1000.00 -999 ? >ALA~F 90 21.67 7.60 175.31 22.93 7.94 176.05 22.30 7.77 175.68 2 0 1000.00 -999 ? >LEU~F 91 23.31 4.73 171.81 25.42 4.45 171.38 24.37 4.59 171.59 3 0 1000.00 -999 ? >GLU~F 92 17.81 4.91 171.68 16.22 4.23 172.92 17.01 4.57 172.30 2 0 1000.00 -999 ? >ASP~F 93 19.48 11.35 172.57 20.00 13.43 172.46 19.74 12.39 172.52 2 0 1000.00 -999 ? >SER~F 94 21.13 11.79 168.04 21.27 12.77 165.81 21.20 12.28 166.93 2 0 1000.00 -999 ? >GLU~F 95 20.91 16.79 169.47 21.93 17.67 167.75 21.42 17.23 168.61 2 0 1000.00 -999 ? >PHE~F 96 24.71 10.58 173.76 26.42 9.00 175.39 25.57 9.79 174.58 3 0 1000.00 -999 ? >LEU~F 97 24.94 10.14 167.91 25.21 8.00 167.83 25.08 9.07 167.87 3 0 1000.00 -999 ? >ALA~F 98 27.17 14.07 167.91 26.33 15.36 167.80 26.75 14.72 167.86 2 0 1000.00 -999 ? >ILE~F 99 28.52 14.64 172.50 28.16 15.30 173.69 28.34 14.97 173.09 3 0 1000.00 -999 ? >LEU~F 100 29.48 9.82 170.69 29.54 8.62 172.46 29.51 9.22 171.58 3 0 1000.00 -999 ? >ARG~F 101 29.54 12.25 164.23 27.74 9.97 163.25 28.64 11.11 163.74 2 0 1000.00 -999 ? >LEU~F 102 33.12 16.04 169.84 32.50 17.90 169.04 32.81 16.97 169.44 3 0 1000.00 -999 ? >LEU~F 103 34.53 11.56 172.20 35.51 10.98 174.02 35.02 11.27 173.11 3 0 1000.00 -999 ? >PHE~F 104 34.61 8.23 168.94 33.13 6.64 170.72 33.87 7.43 169.83 3 0 1000.00 -999 ? >HIS~F 105 37.42 14.81 164.86 38.15 15.78 163.16 37.79 15.30 164.01 3 0 1000.00 -999 ? >HIS~F 106 42.92 14.35 168.19 44.85 15.03 167.68 43.88 14.69 167.94 3 0 1000.00 -999 ? >ILE~F 107 40.85 8.35 168.61 40.85 7.69 169.98 40.85 8.02 169.29 3 0 1000.00 -999 ? >VAL~F 108 40.56 8.66 164.15 38.60 8.14 163.40 39.58 8.40 163.77 3 0 1000.00 -999 ? >THR~F 109 42.80 11.32 162.61 43.92 13.04 163.44 43.36 12.18 163.02 2 0 1000.00 -999 ? >SER~F 110 46.33 10.23 161.51 45.62 9.07 159.49 45.97 9.65 160.50 2 0 1000.00 -999 ? >GLU~F 111 51.19 11.39 163.15 49.70 10.48 164.42 50.45 10.93 163.79 2 0 1000.00 -999 ? >SER~F 112 50.20 10.04 157.35 49.41 7.78 157.87 49.81 8.91 157.61 2 0 1000.00 -999 ? >ALA~F 113 46.82 11.68 156.52 45.56 11.71 157.39 46.19 11.69 156.96 2 0 1000.00 -999 ? >HIS~F 114 48.28 17.54 157.93 48.40 19.61 157.61 48.34 18.58 157.77 3 0 1000.00 -999 ? >GLU~F 115 53.21 13.46 154.63 54.01 14.45 156.32 53.61 13.96 155.48 2 0 1000.00 -999 ? >PHE~F 116 47.16 10.92 151.32 46.08 9.33 149.30 46.62 10.13 150.31 3 0 1000.00 -999 ? >ALA~F 117 46.35 15.92 151.35 45.23 16.49 152.29 45.79 16.21 151.82 2 0 1000.00 -999 ? >ALA~F 118 49.28 18.29 150.98 49.80 18.98 152.25 49.54 18.63 151.61 2 0 1000.00 -999 ? >ASN~F 119 53.19 15.98 149.60 53.43 14.01 150.50 53.31 15.00 150.05 2 0 1000.00 -999 ? >GLY~F 120 50.06 12.96 147.77 50.14 13.56 147.37 50.10 13.26 147.57 1 0 1000.00 -999 ? >ILE~F 121 47.57 14.74 143.70 47.48 15.56 143.31 47.53 15.15 143.50 3 0 1000.00 -999 ? >ASP~F 122 52.74 16.28 144.39 54.39 17.19 143.48 53.56 16.73 143.94 2 0 1000.00 -999 ? >ARG~F 123 55.61 11.40 147.96 55.50 8.57 149.31 55.55 9.98 148.63 2 0 1000.00 -999 ? >LEU~F 124 49.82 10.06 142.72 48.58 8.75 141.43 49.20 9.41 142.08 3 0 1000.00 -999 ? >TYR~F 125 51.27 14.17 138.07 50.75 15.12 135.53 51.01 14.64 136.80 3 0 1000.00 -999 ? >LYS~F 126 55.53 11.72 139.76 58.94 15.27 142.12 57.23 13.49 140.94 2 0 1000.00 -999 ? >MET?F 127 55.32 7.91 139.95 53.79 5.32 143.12 54.55 6.62 141.53 2 0 1000.00 -999 ? >VAL~F 128 52.90 7.55 137.05 50.75 7.64 136.71 51.83 7.59 136.88 3 0 1000.00 -999 ? >GLU~F 129 56.24 12.44 135.36 55.35 13.13 133.66 55.79 12.78 134.51 2 0 1000.00 -999 ? >SER~F 130 58.11 8.28 135.75 58.51 6.44 137.22 58.31 7.36 136.48 2 0 1000.00 -999 ? >GLN~F 131 55.94 3.62 136.15 55.95 1.51 136.20 55.94 2.56 136.18 2 0 1000.00 -999 ? >PHE~F 132 52.35 4.37 132.79 51.55 2.14 134.35 51.95 3.25 133.57 3 0 1000.00 -999 ? >GLY~F 133 55.46 9.03 130.49 54.71 8.89 130.77 55.08 8.96 130.63 1 0 1000.00 -999 ? >SER~F 134 53.28 11.85 129.01 54.60 11.89 126.98 53.94 11.87 127.99 2 0 1000.00 -999 ? >GLY~F 135 50.63 9.22 128.20 50.88 9.45 128.95 50.75 9.34 128.58 1 0 1000.00 -999 ? >GLY~F 136 50.07 8.49 131.89 50.09 9.24 131.54 50.08 8.87 131.71 1 0 1000.00 -999 ? >ASP~F 137 50.49 13.29 132.14 52.40 13.26 133.03 51.44 13.28 132.59 2 0 1000.00 -999 ? >LYS~F 138 46.51 12.49 130.38 45.59 16.00 126.11 46.05 14.25 128.24 2 0 1000.00 -999 ? >GLU~F 139 45.33 6.51 131.77 43.59 6.38 130.53 44.46 6.44 131.15 2 0 1000.00 -999 ? >LEU~F 140 47.06 10.56 135.86 47.50 10.22 137.97 47.28 10.39 136.91 3 0 1000.00 -999 ? >GLU~F 141 45.10 15.43 134.20 46.43 16.33 132.86 45.77 15.88 133.53 2 0 1000.00 -999 ? >TRP~F 142 38.54 10.39 131.51 38.76 6.50 131.98 38.65 8.45 131.74 3 0 1000.00 -999 ? >LEU~F 143 42.01 8.08 136.52 42.17 6.08 135.79 42.09 7.08 136.16 3 0 1000.00 -999 ? >ILE~F 144 42.26 12.60 139.57 42.39 13.44 139.58 42.33 13.02 139.57 3 0 1000.00 -999 ? >GLY~F 145 38.32 13.53 136.89 38.36 12.78 137.21 38.34 13.16 137.05 1 0 1000.00 -999 ? >ARG~F 146 34.82 7.70 135.65 34.73 4.94 134.33 34.78 6.32 134.99 2 0 1000.00 -999 ? >SER~F 147 36.53 10.02 140.48 38.78 9.16 140.66 37.65 9.59 140.57 2 0 1000.00 -999 ? >LEU~F 148 35.73 14.77 140.70 36.91 15.99 142.04 36.32 15.38 141.37 3 0 1000.00 -999 ? >ILE~F 149 32.10 12.36 137.52 31.73 12.68 136.51 31.91 12.52 137.01 3 0 1000.00 -999 ? >GLN~F 150 32.51 7.37 140.32 31.44 5.86 141.26 31.98 6.62 140.79 2 0 1000.00 -999 ? >MET?F 151 31.69 11.39 144.29 35.51 12.47 145.70 33.60 11.93 144.99 2 0 1000.00 -999 ? >SER~F 152 28.85 13.42 142.89 29.07 13.77 140.55 28.96 13.59 141.72 2 0 1000.00 -999 ? >LYS~F 153 26.27 10.76 141.81 28.26 8.03 137.86 27.27 9.39 139.84 2 0 1000.00 -999 ? >ASP~G 63 32.71 -5.89 147.68 33.11 -6.00 145.60 32.91 -5.94 146.64 2 0 1000.00 -999 ? >GLY~G 64 36.70 -4.18 146.90 36.80 -4.84 147.41 36.75 -4.51 147.15 1 0 1000.00 -999 ? >ARG~G 65 43.81 -4.95 147.43 43.79 -5.36 144.33 43.80 -5.16 145.88 2 0 1000.00 -999 ? >ILE~G 66 41.30 -1.30 151.43 41.94 -0.98 151.80 41.62 -1.14 151.62 3 0 1000.00 -999 ? >PHE~G 67 35.79 -5.13 153.50 34.05 -6.21 155.43 34.92 -5.67 154.46 3 0 1000.00 -999 ? >LYS~G 68 39.52 -8.03 151.62 37.58 -9.75 146.74 38.55 -8.89 149.18 2 0 1000.00 -999 ? >MET?G 69 42.96 -6.89 152.81 45.88 -4.90 151.34 44.42 -5.90 152.08 2 0 1000.00 -999 ? >PHE~G 70 40.01 -5.10 157.93 38.79 -4.95 160.46 39.40 -5.03 159.20 3 0 1000.00 -999 ? >ILE~G 71 37.94 -9.18 155.61 36.98 -10.29 155.08 37.46 -9.73 155.35 3 0 1000.00 -999 ? >GLU~G 72 42.99 -11.04 153.99 43.73 -11.54 152.06 43.36 -11.29 153.02 2 0 1000.00 -999 ? >HIS~G 73 44.96 -9.10 159.14 46.47 -8.04 158.14 45.71 -8.57 158.64 3 0 1000.00 -999 ? >LEU~G 74 39.22 -11.56 160.56 39.60 -9.64 161.53 39.41 -10.60 161.04 3 0 1000.00 -999 ? >GLU~G 75 40.48 -18.24 161.56 39.26 -19.06 160.00 39.87 -18.65 160.78 2 0 1000.00 -999 ? >PHE~G 76 34.53 -14.42 159.47 34.60 -11.62 159.67 34.56 -13.02 159.57 3 0 1000.00 -999 ? >GLU~G 77 36.16 -20.23 157.21 34.07 -20.29 156.65 35.11 -20.26 156.93 2 0 1000.00 -999 ? >LYS~G 78 36.21 -21.60 163.23 42.03 -22.56 161.97 39.12 -22.08 162.60 2 0 1000.00 -999 ? >GLY~G 79 33.74 -20.24 165.79 34.33 -19.78 165.47 34.04 -20.01 165.63 1 0 1000.00 -999 ? >LEU~G 80 32.46 -16.74 168.81 31.87 -14.68 168.96 32.17 -15.71 168.89 3 0 1000.00 -999 ? >ASP~G 81 36.97 -18.56 171.04 35.56 -18.60 172.53 36.27 -18.58 171.78 2 0 1000.00 -999 ? >ALA~G 82 38.83 -18.36 167.06 38.57 -19.48 166.07 38.70 -18.92 166.57 2 0 1000.00 -999 ? >PHE~G 83 35.77 -13.39 164.81 35.31 -10.71 164.06 35.54 -12.05 164.43 3 0 1000.00 -999 ? >SER~G 84 38.36 -12.89 168.61 36.45 -13.24 169.99 37.41 -13.06 169.30 2 0 1000.00 -999 ? >GLN~G 85 42.64 -16.90 169.41 42.55 -15.88 171.30 42.59 -16.39 170.35 2 0 1000.00 -999 ? >SER~G 86 42.54 -13.48 165.14 40.51 -13.71 163.82 41.53 -13.59 164.48 2 0 1000.00 -999 ? >TRP~G 87 40.47 -7.01 166.94 37.74 -5.88 164.38 39.10 -6.45 165.66 3 0 1000.00 -999 ? >ILE~G 88 43.82 -10.41 170.23 43.35 -9.61 171.46 43.59 -10.01 170.85 3 0 1000.00 -999 ? >LYS~G 89 46.77 -11.12 166.94 47.59 -16.56 168.00 47.18 -13.84 167.47 2 0 1000.00 -999 ? >ALA~G 90 46.00 -8.78 164.03 44.81 -8.91 163.12 45.41 -8.84 163.57 2 0 1000.00 -999 ? >LEU~G 91 44.88 -5.99 167.67 43.24 -4.69 168.11 44.06 -5.34 167.89 3 0 1000.00 -999 ? >GLU~G 92 50.53 -8.01 167.61 50.47 -9.52 169.12 50.50 -8.77 168.37 2 0 1000.00 -999 ? >ASP~G 93 49.86 -6.73 162.34 49.72 -6.19 160.29 49.79 -6.46 161.32 2 0 1000.00 -999 ? >SER~G 94 49.95 -2.01 161.78 52.22 -1.27 161.53 51.09 -1.64 161.65 2 0 1000.00 -999 ? >GLU~G 95 48.60 -3.24 155.74 47.78 -4.95 154.69 48.19 -4.09 155.21 2 0 1000.00 -999 ? >PHE~G 96 44.29 -5.53 161.46 41.86 -6.14 162.68 43.07 -5.83 162.07 3 0 1000.00 -999 ? >LEU~G 97 46.81 -1.08 163.61 46.04 0.13 165.28 46.42 -0.47 164.44 3 0 1000.00 -999 ? >ALA~G 98 45.81 1.33 159.99 47.11 1.76 159.34 46.46 1.55 159.67 2 0 1000.00 -999 ? >ILE~G 99 42.91 -1.33 157.14 43.15 -2.24 156.16 43.03 -1.79 156.65 3 0 1000.00 -999 ? >LEU~G 100 41.17 -1.05 162.19 39.57 -2.02 163.26 40.37 -1.53 162.72 3 0 1000.00 -999 ? >ARG~G 101 43.78 6.46 162.58 46.28 5.29 163.92 45.03 5.88 163.25 2 0 1000.00 -999 ? >LEU~G 102 41.33 3.81 156.90 41.29 4.88 154.97 41.31 4.35 155.93 3 0 1000.00 -999 ? >LEU~G 103 37.08 1.05 158.65 37.51 -0.53 157.24 37.29 0.26 157.94 3 0 1000.00 -999 ? >PHE~G 104 37.58 2.91 163.83 37.60 0.53 165.23 37.59 1.72 164.53 3 0 1000.00 -999 ? >HIS~G 105 38.78 9.19 158.86 38.75 11.16 158.14 38.77 10.18 158.50 3 0 1000.00 -999 ? >HIS~G 106 33.81 5.97 155.46 32.58 5.98 153.76 33.20 5.97 154.61 3 0 1000.00 -999 ? >ILE~G 107 31.54 5.33 160.69 31.62 4.03 161.03 31.58 4.68 160.86 3 0 1000.00 -999 ? >VAL~G 108 33.20 9.15 162.55 34.62 9.17 164.22 33.91 9.16 163.39 3 0 1000.00 -999 ? >THR~G 109 33.52 12.03 160.10 35.52 11.91 159.35 34.52 11.97 159.72 2 0 1000.00 -999 ? >SER~G 110 30.28 11.56 158.20 30.06 10.32 156.08 30.17 10.94 157.14 2 0 1000.00 -999 ? >GLU~G 111 26.08 12.81 160.75 24.39 13.90 161.47 25.24 13.36 161.11 2 0 1000.00 -999 ? >SER~G 112 23.75 9.03 157.52 22.88 7.87 159.43 23.32 8.45 158.48 2 0 1000.00 -999 ? >ALA~G 113 20.40 10.38 156.34 19.65 9.98 155.06 20.03 10.18 155.70 2 0 1000.00 -999 ? >HIS~G 114 18.69 7.01 160.25 20.27 5.93 161.12 19.48 6.47 160.68 3 0 1000.00 -999 ? >GLU~G 115 22.31 8.66 162.49 21.74 8.41 164.56 22.03 8.53 163.52 2 0 1000.00 -999 ? >PHE~G 116 21.18 15.67 158.65 20.42 18.14 157.54 20.80 16.90 158.09 3 0 1000.00 -999 ? >ALA~G 117 17.14 14.42 159.80 16.38 13.61 158.77 16.76 14.01 159.28 2 0 1000.00 -999 ? >ALA~G 118 16.32 13.89 163.48 16.32 12.49 164.13 16.32 13.19 163.80 2 0 1000.00 -999 ? >ASN~G 119 19.27 17.74 163.61 18.20 18.99 162.26 18.74 18.37 162.94 2 0 1000.00 -999 ? >GLY~G 120 17.50 19.33 167.35 17.49 19.51 166.55 17.49 19.42 166.95 1 0 1000.00 -999 ? >ILE~G 121 18.07 23.06 164.37 18.29 24.28 164.97 18.18 23.67 164.67 3 0 1000.00 -999 ? >ASP~G 122 14.49 19.84 161.99 12.65 19.66 160.95 13.57 19.75 161.47 2 0 1000.00 -999 ? >ARG~G 123 12.76 16.38 168.95 15.67 14.95 168.50 14.21 15.66 168.72 2 0 1000.00 -999 ? >LEU~G 124 13.95 23.78 167.84 13.90 25.60 169.05 13.92 24.69 168.44 3 0 1000.00 -999 ? >TYR~G 125 11.37 25.13 162.08 9.87 26.49 160.20 10.62 25.81 161.14 3 0 1000.00 -999 ? >LYS~G 126 8.49 22.18 164.43 9.49 18.43 160.60 8.99 20.31 162.51 2 0 1000.00 -999 ? >MET?G 127 7.56 22.82 168.10 9.63 21.42 171.45 8.59 22.12 169.77 2 0 1000.00 -999 ? >VAL~G 128 7.66 26.59 167.55 9.16 28.09 167.48 8.41 27.34 167.51 3 0 1000.00 -999 ? >GLU~G 129 4.76 25.15 162.31 5.39 24.88 160.32 5.08 25.02 161.32 2 0 1000.00 -999 ? >SER~G 130 3.03 24.06 165.99 2.33 22.40 167.59 2.68 23.23 166.79 2 0 1000.00 -999 ? >GLN~G 131 3.07 27.15 171.27 1.40 26.50 172.38 2.24 26.82 171.82 2 0 1000.00 -999 ? >PHE~G 132 4.45 30.43 169.53 4.72 30.38 172.34 4.58 30.40 170.93 3 0 1000.00 -999 ? >GLY~G 133 2.59 29.46 163.70 3.30 29.61 164.04 2.94 29.54 163.87 1 0 1000.00 -999 ? >SER~G 134 4.62 31.21 160.98 2.86 32.09 159.56 3.74 31.65 160.27 2 0 1000.00 -999 ? >GLY~G 135 4.78 34.20 163.35 5.12 33.46 163.34 4.95 33.83 163.34 1 0 1000.00 -999 ? >GLY~G 136 6.72 31.99 165.77 6.83 32.12 164.97 6.77 32.05 165.37 1 0 1000.00 -999 ? >ASP~G 137 8.40 30.02 161.70 7.69 28.02 162.05 8.04 29.02 161.87 2 0 1000.00 -999 ? >LYS~G 138 9.86 34.22 162.11 10.15 39.11 158.82 10.00 36.67 160.46 2 0 1000.00 -999 ? >GLU~G 139 10.44 35.55 168.01 10.51 37.64 168.25 10.47 36.59 168.13 2 0 1000.00 -999 ? >LEU~G 140 12.07 30.42 165.84 13.42 28.74 166.45 12.74 29.58 166.14 3 0 1000.00 -999 ? >GLU~G 141 13.72 31.42 160.90 12.19 31.51 159.38 12.96 31.47 160.14 2 0 1000.00 -999 ? >TRP~G 142 16.36 38.99 164.51 15.73 39.83 168.32 16.04 39.41 166.42 3 0 1000.00 -999 ? >LEU~G 143 15.57 33.74 168.71 14.33 34.78 170.18 14.95 34.26 169.44 3 0 1000.00 -999 ? >ILE~G 144 18.12 30.76 165.22 17.89 29.51 164.82 18.00 30.14 165.02 3 0 1000.00 -999 ? >GLY~G 145 20.36 34.42 163.91 20.26 34.43 164.76 20.31 34.43 164.33 1 0 1000.00 -999 ? >ARG~G 146 21.05 39.16 167.93 20.58 41.33 170.06 20.82 40.24 169.00 2 0 1000.00 -999 ? >SER~G 147 22.52 33.71 168.79 20.42 32.80 169.48 21.47 33.25 169.13 2 0 1000.00 -999 ? >LEU~G 148 24.07 32.12 164.49 25.75 30.99 163.62 24.91 31.55 164.06 3 0 1000.00 -999 ? >ILE~G 149 25.27 37.37 165.26 25.08 37.86 164.54 25.18 37.62 164.90 3 0 1000.00 -999 ? >GLN~G 150 26.09 36.31 171.87 24.65 35.91 173.41 25.37 36.11 172.64 2 0 1000.00 -999 ? >MET?G 151 28.58 33.22 169.21 26.63 29.56 169.06 27.61 31.39 169.13 2 0 1000.00 -999 ? >SER~G 152 31.02 34.64 166.71 29.74 36.06 165.11 30.38 35.35 165.91 2 0 1000.00 -999 ? >LYS~G 153 31.54 37.66 169.00 29.36 40.82 167.23 30.45 39.24 168.11 2 0 1000.00 -999 ? >GLY~H 64 53.37 8.13 154.69 52.69 8.08 154.19 53.03 8.10 154.44 1 0 1000.00 -999 ? >ARG~H 65 49.25 4.57 158.37 49.42 5.96 161.14 49.33 5.27 159.75 2 0 1000.00 -999 ? >ILE~H 66 47.25 7.53 154.01 45.85 7.44 154.41 46.55 7.49 154.21 3 0 1000.00 -999 ? >PHE~H 67 51.38 7.68 149.04 52.02 8.06 146.32 51.70 7.87 147.68 3 0 1000.00 -999 ? >LYS~H 68 51.07 3.03 151.35 53.78 1.20 150.39 52.43 2.11 150.87 2 0 1000.00 -999 ? >MET?H 69 47.48 1.65 151.04 45.56 1.19 154.82 46.52 1.42 152.93 2 0 1000.00 -999 ? >PHE~H 70 46.21 6.14 146.95 45.63 7.40 144.54 45.92 6.77 145.74 3 0 1000.00 -999 ? >ILE~H 71 50.52 2.90 145.55 51.27 2.63 145.93 50.90 2.77 145.74 3 0 1000.00 -999 ? >GLU~H 72 49.00 -1.25 149.51 48.75 -2.55 151.22 48.88 -1.90 150.36 2 0 1000.00 -999 ? >HIS~H 73 42.89 0.37 146.49 41.66 0.22 148.19 42.27 0.30 147.34 3 0 1000.00 -999 ? >LEU~H 74 47.32 1.63 141.89 45.79 3.18 142.13 46.56 2.41 142.01 3 0 1000.00 -999 ? >GLU~H 75 48.06 -4.56 138.91 49.83 -5.22 137.96 48.94 -4.89 138.43 2 0 1000.00 -999 ? >PHE~H 76 52.05 1.41 139.55 50.95 3.65 140.86 51.50 2.53 140.21 3 0 1000.00 -999 ? >GLU~H 77 55.08 -4.82 137.14 55.38 -3.57 138.86 55.23 -4.20 138.00 2 0 1000.00 -999 ? >LYS~H 78 50.82 -4.92 133.35 49.75 -9.30 133.50 50.28 -7.11 133.43 2 0 1000.00 -999 ? >GLY~H 79 50.79 -1.52 131.46 50.42 -1.46 132.16 50.61 -1.49 131.81 1 0 1000.00 -999 ? >LEU~H 80 48.86 2.78 130.10 48.68 4.95 130.39 48.77 3.86 130.24 3 0 1000.00 -999 ? >ASP~H 81 44.99 -0.75 129.19 44.73 0.50 127.48 44.86 -0.12 128.33 2 0 1000.00 -999 ? >ALA~H 82 45.98 -2.33 133.34 47.06 -3.40 133.45 46.52 -2.87 133.40 2 0 1000.00 -999 ? >PHE~H 83 47.57 2.82 136.29 47.57 4.96 138.04 47.57 3.89 137.16 3 0 1000.00 -999 ? >SER~H 84 43.21 2.52 134.41 43.73 3.62 132.35 43.47 3.07 133.38 2 0 1000.00 -999 ? >GLN~H 85 41.15 -3.15 133.76 39.33 -2.17 133.20 40.24 -2.66 133.48 2 0 1000.00 -999 ? >SER~H 86 42.98 -1.05 138.30 44.80 -0.19 139.67 43.89 -0.62 138.98 2 0 1000.00 -999 ? >TRP~H 87 40.54 5.44 139.44 43.45 7.64 140.86 42.00 6.54 140.15 3 0 1000.00 -999 ? >ILE~H 88 37.86 1.65 136.32 37.07 2.59 135.35 37.47 2.12 135.83 3 0 1000.00 -999 ? >LYS~H 89 37.77 -1.16 139.80 35.31 -5.01 140.20 36.54 -3.08 140.00 2 0 1000.00 -999 ? >ALA~H 90 39.02 0.64 142.93 40.31 1.39 143.05 39.66 1.01 142.99 2 0 1000.00 -999 ? >LEU~H 91 36.11 4.07 141.07 36.74 6.13 140.66 36.43 5.10 140.87 3 0 1000.00 -999 ? >GLU~H 92 33.62 -0.54 141.15 33.04 -2.32 140.13 33.33 -1.43 140.64 2 0 1000.00 -999 ? >ASP~H 93 36.28 -0.19 147.58 36.03 -0.72 149.75 36.15 -0.45 148.66 2 0 1000.00 -999 ? >SER~H 94 33.41 3.13 149.09 31.96 4.06 150.72 32.69 3.59 149.91 2 0 1000.00 -999 ? >GLU~H 95 35.97 1.32 153.09 35.41 2.89 154.43 35.69 2.11 153.76 2 0 1000.00 -999 ? >PHE~H 96 39.88 3.59 145.97 41.74 4.65 144.15 40.81 4.12 145.06 3 0 1000.00 -999 ? >LEU~H 97 35.22 6.60 147.08 34.08 7.23 145.42 34.65 6.91 146.25 3 0 1000.00 -999 ? >ALA~H 98 37.06 7.79 151.13 36.74 6.96 152.36 36.90 7.38 151.74 2 0 1000.00 -999 ? >ILE~H 99 41.86 6.43 150.82 42.61 6.02 150.41 42.23 6.22 150.62 3 0 1000.00 -999 ? >LEU~H 100 39.63 9.11 146.40 40.60 8.42 144.59 40.12 8.77 145.49 3 0 1000.00 -999 ? >ARG~H 101 34.97 12.20 150.59 32.84 10.53 149.15 33.91 11.37 149.87 2 0 1000.00 -999 ? >LEU~H 102 42.25 11.29 152.47 41.61 11.35 154.56 41.93 11.32 153.51 3 0 1000.00 -999 ? >LEU~H 103 43.76 12.24 147.48 45.57 12.21 146.31 44.66 12.23 146.90 3 0 1000.00 -999 ? >PHE~H 104 40.64 14.77 145.30 40.96 12.85 143.30 40.80 13.81 144.30 3 0 1000.00 -999 ? >HIS~H 105 40.34 17.72 153.04 39.46 18.89 154.55 39.90 18.31 153.80 3 0 1000.00 -999 ? >HIS~H 106 45.42 21.54 151.43 46.02 23.48 151.95 45.72 22.51 151.69 3 0 1000.00 -999 ? >ILE~H 107 43.66 20.12 145.93 44.60 19.53 144.93 44.13 19.82 145.43 3 0 1000.00 -999 ? >VAL~H 108 39.80 21.81 147.12 38.03 20.57 147.23 38.92 21.19 147.17 3 0 1000.00 -999 ? >THR~H 109 40.05 24.56 149.72 40.52 24.46 151.86 40.28 24.51 150.79 2 0 1000.00 -999 ? >SER~H 110 40.28 28.26 148.87 38.18 28.24 147.47 39.23 28.25 148.17 2 0 1000.00 -999 ? >GLU~H 111 44.27 32.73 150.68 43.98 32.39 152.82 44.13 32.56 151.75 2 0 1000.00 -999 ? >SER~H 112 39.60 33.42 149.28 38.08 34.41 147.65 38.84 33.92 148.46 2 0 1000.00 -999 ? >ALA~H 113 37.56 31.37 151.82 37.57 29.85 151.80 37.56 30.61 151.81 2 0 1000.00 -999 ? >HIS~H 114 40.04 30.43 156.51 39.49 28.70 157.57 39.77 29.57 157.04 3 0 1000.00 -999 ? >GLU~H 115 39.79 36.21 152.05 41.85 36.87 152.00 40.82 36.54 152.03 2 0 1000.00 -999 ? >PHE~H 116 32.92 34.56 152.62 30.17 34.25 152.70 31.55 34.41 152.66 3 0 1000.00 -999 ? >ALA~H 117 34.62 33.42 156.98 35.45 32.22 157.35 35.04 32.82 157.17 2 0 1000.00 -999 ? >ALA~H 118 35.90 36.29 159.18 37.37 36.52 159.40 36.63 36.40 159.29 2 0 1000.00 -999 ? >ASN~H 119 35.62 40.40 156.76 37.53 39.53 156.49 36.58 39.97 156.62 2 0 1000.00 -999 ? >GLY~H 120 31.79 38.51 155.49 31.83 38.74 156.30 31.81 38.63 155.90 1 0 1000.00 -999 ? >ILE~H 121 29.72 37.63 159.72 29.39 37.17 160.35 29.56 37.40 160.03 3 0 1000.00 -999 ? >ASP~H 122 31.76 42.65 160.08 32.28 41.53 161.75 32.02 42.09 160.91 2 0 1000.00 -999 ? >ARG~H 123 33.79 43.52 154.15 34.96 41.09 152.56 34.38 42.31 153.35 2 0 1000.00 -999 ? >LEU~H 124 26.51 40.89 155.76 26.10 39.53 154.07 26.30 40.21 154.91 3 0 1000.00 -999 ? >TYR~H 125 26.03 43.48 161.10 24.58 41.95 162.96 25.30 42.71 162.03 3 0 1000.00 -999 ? >LYS~H 126 27.48 47.43 157.02 31.82 49.76 159.25 29.65 48.59 158.13 2 0 1000.00 -999 ? >MET?H 127 25.45 47.11 153.78 27.22 44.50 151.01 26.33 45.81 152.40 2 0 1000.00 -999 ? >VAL~H 128 22.43 46.08 155.74 21.69 44.38 156.88 22.06 45.23 156.31 3 0 1000.00 -999 ? >GLU~H 129 24.67 49.06 159.29 25.25 48.17 161.16 24.96 48.62 160.22 2 0 1000.00 -999 ? >SER~H 130 23.76 51.51 155.16 25.28 51.02 153.35 24.52 51.26 154.25 2 0 1000.00 -999 ? >GLN~H 131 22.13 49.22 151.21 22.15 50.33 149.46 22.14 49.78 150.33 2 0 1000.00 -999 ? >PHE~H 132 17.76 47.60 154.18 18.02 46.13 151.84 17.89 46.86 153.01 3 0 1000.00 -999 ? >GLY~H 133 19.23 51.99 158.18 19.06 51.16 158.20 19.15 51.58 158.19 1 0 1000.00 -999 ? >SER~H 134 17.79 50.96 161.50 15.60 52.04 161.50 16.70 51.50 161.50 2 0 1000.00 -999 ? >GLY~H 135 15.77 47.96 160.24 16.52 48.11 160.09 16.14 48.04 160.16 1 0 1000.00 -999 ? >GLY~H 136 18.83 46.51 158.56 18.60 46.40 159.31 18.72 46.45 158.94 1 0 1000.00 -999 ? >ASP~H 137 20.63 45.31 162.91 22.38 46.40 162.71 21.50 45.85 162.81 2 0 1000.00 -999 ? >LYS~H 138 17.01 42.87 162.52 14.84 43.70 166.98 15.92 43.29 164.75 2 0 1000.00 -999 ? >GLU~H 139 16.19 42.31 156.40 14.15 41.87 156.10 15.17 42.09 156.25 2 0 1000.00 -999 ? >LEU~H 140 21.41 41.08 158.78 23.17 40.02 158.13 22.29 40.55 158.46 3 0 1000.00 -999 ? >GLU~H 141 20.67 39.99 163.56 20.50 41.44 165.07 20.59 40.72 164.32 2 0 1000.00 -999 ? >TRP~H 142 13.61 35.84 160.13 12.37 37.28 156.69 12.99 36.56 158.41 3 0 1000.00 -999 ? >LEU~H 143 18.08 36.70 156.17 16.62 37.37 154.78 17.35 37.03 155.48 3 0 1000.00 -999 ? >ILE~H 144 21.72 34.95 159.98 23.07 34.88 159.46 22.39 34.92 159.72 3 0 1000.00 -999 ? >GLY~H 145 18.52 32.31 161.26 18.50 32.40 160.43 18.51 32.35 160.85 1 0 1000.00 -999 ? >ARG~H 146 13.93 30.83 156.44 11.55 31.82 154.86 12.74 31.32 155.65 2 0 1000.00 -999 ? >SER~H 147 19.42 30.14 156.61 20.40 32.02 155.57 19.91 31.08 156.09 2 0 1000.00 -999 ? >LEU~H 148 20.42 28.25 160.95 22.15 27.91 162.08 21.29 28.08 161.52 3 0 1000.00 -999 ? >ILE~H 149 15.42 27.35 159.66 14.65 26.75 160.79 15.03 27.05 160.22 3 0 1000.00 -999 ? >GLN~H 150 17.49 25.92 153.43 15.47 25.94 152.83 16.48 25.93 153.13 2 0 1000.00 -999 ? >MET?H 151 20.33 23.61 156.68 23.68 26.06 157.12 22.00 24.83 156.90 2 0 1000.00 -999 ? >SER~H 152 18.16 21.67 159.08 16.21 22.63 160.21 17.18 22.15 159.65 2 0 1000.00 -999 ? >LYS~H 153 15.35 20.55 156.65 11.89 23.19 158.69 13.62 21.87 157.67 2 0 1000.00 -999 ?