REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-OCT-08 3ER6 COMPND PUTATIVE TRANSCRIPTIONAL REGULATOR PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; SOURCE 3 ORGANISM_TAXID: 670; SOURCE 4 GENE: VPA0716; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,S.CHANG,S.OZYURT,S.WASSERMAN, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER AUTHOR 3 FOR STRUCTURAL GENOMICS (NYSGXRC) >ASN.A 8 34.06 38.54 2.67 35.78 39.86 2.54 34.92 39.20 2.61 2 0 1000.00 -999 ? >LEU^A 9 34.54 33.08 1.11 33.01 32.53 -0.30 33.78 32.81 0.40 3 0 1000.00 -999 ? >ARG^A 10 35.54 33.26 9.27 34.61 35.99 10.42 35.08 34.62 9.84 2 0 1000.00 -999 ? >VAL^A 11 37.48 29.26 5.98 38.17 27.88 4.40 37.83 28.57 5.19 3 0 1000.00 -999 ? >VAL^A 12 38.41 28.18 9.52 37.70 29.05 11.42 38.06 28.61 10.47 3 0 1000.00 -999 ? >ALA^A 13 40.67 25.09 9.62 41.80 25.03 8.55 41.24 25.06 9.08 2 0 1000.00 -999 ? >LEU^A 14 39.71 22.74 13.68 39.60 22.21 15.74 39.66 22.47 14.71 3 0 1000.00 -999 ? >ALA.A 15 44.19 21.23 13.14 45.53 21.92 12.60 44.86 21.57 12.87 2 0 1000.00 -999 ? >PRO.A 16 41.75 18.29 15.07 43.80 19.22 15.44 42.78 18.76 15.25 3 0 1000.00 -999 ? >THR.A 17 47.42 17.56 16.16 47.76 15.38 16.01 47.59 16.47 16.09 2 0 1000.00 -999 ? >GLY.A 18 50.88 18.42 14.85 50.60 17.66 15.01 50.74 18.04 14.93 1 0 1000.00 -999 ? >ARG.A 19 52.99 13.35 16.70 55.65 14.78 16.13 54.32 14.06 16.42 2 0 1000.00 -999 ? >TYR.A 20 48.83 12.47 11.48 50.25 10.06 11.90 49.54 11.27 11.69 3 0 1000.00 -999 ? >PHE~A 21 50.21 20.30 10.72 52.77 21.40 10.18 51.49 20.85 10.45 3 0 1000.00 -999 ? >ALA~A 22 49.83 18.48 6.51 50.75 17.48 5.86 50.29 17.98 6.18 2 0 1000.00 -999 ? >SER~A 23 46.42 17.75 5.00 45.13 16.22 6.45 45.78 16.99 5.72 2 0 1000.00 -999 ? >ILE~A 24 45.06 21.25 8.16 43.69 21.89 8.47 44.38 21.57 8.32 3 0 1000.00 -999 ? >ILE~A 25 49.27 22.77 5.36 49.59 23.92 6.12 49.43 23.35 5.74 3 0 1000.00 -999 ? >SER~A 26 47.37 21.28 1.63 46.68 18.96 1.82 47.02 20.12 1.73 2 0 1000.00 -999 ? >SER~A 27 43.60 21.95 1.73 42.59 20.07 2.90 43.10 21.01 2.31 2 0 1000.00 -999 ? >LEU~A 28 44.81 26.33 3.60 43.48 26.64 5.37 44.14 26.49 4.48 3 0 1000.00 -999 ? >GLU~A 29 49.17 25.26 0.57 50.93 24.03 0.68 50.05 24.65 0.63 2 0 1000.00 -999 ? >ILE~A 30 43.70 22.87 -2.83 43.46 21.55 -3.33 43.58 22.21 -3.08 3 0 1000.00 -999 ? >LEU~A 31 40.75 26.56 -0.35 39.13 25.06 0.03 39.94 25.81 -0.16 3 0 1000.00 -999 ? >GLU~A 32 44.15 30.45 0.54 45.42 31.59 1.77 44.78 31.02 1.15 2 0 1000.00 -999 ? >THR~A 33 45.13 28.84 -5.18 46.78 27.54 -5.82 45.95 28.19 -5.50 2 0 1000.00 -999 ? >ALA~A 34 41.60 28.43 -6.63 40.62 27.40 -6.14 41.11 27.91 -6.38 2 0 1000.00 -999 ? >ALA~A 35 40.53 31.78 -5.14 40.60 32.18 -3.65 40.56 31.98 -4.40 2 0 1000.00 -999 ? >GLU~A 36 45.55 33.19 -5.32 47.28 31.98 -4.62 46.41 32.58 -4.97 2 0 1000.00 -999 ? >PHE~A 37 43.21 29.14 -10.54 45.34 27.34 -10.49 44.27 28.24 -10.51 3 0 1000.00 -999 ? >ALA~A 38 38.87 33.01 -9.65 37.90 32.53 -8.53 38.38 32.77 -9.09 2 0 1000.00 -999 ? >GLU.A 39 41.40 36.79 -11.38 41.19 37.94 -13.19 41.29 37.37 -12.28 2 0 1000.00 -999 ? >PHE.A 40 36.79 35.64 -4.24 34.95 36.14 -2.17 35.87 35.89 -3.20 3 0 1000.00 -999 ? >GLN.A 41 40.80 41.33 -3.82 42.09 40.59 -5.37 41.45 40.96 -4.59 2 0 1000.00 -999 ? >GLY.A 42 37.67 38.48 -0.19 37.91 37.81 -0.54 37.79 38.15 -0.36 1 0 1000.00 -999 ? >PHE^A 43 39.20 32.60 -0.14 38.85 29.85 0.37 39.03 31.22 0.12 3 0 1000.00 -999 ? >MET^A 44 40.14 34.62 4.24 38.30 37.98 6.11 39.22 36.30 5.18 2 0 1000.00 -999 ? >THR^A 45 41.49 31.48 5.89 42.59 30.58 4.23 42.04 31.03 5.06 2 0 1000.00 -999 ? >HIS^A 46 41.10 32.81 10.04 40.51 34.72 9.44 40.80 33.77 9.74 3 0 1000.00 -999 ? >VAL^A 47 44.32 27.84 11.10 46.00 26.52 10.54 45.16 27.18 10.82 3 0 1000.00 -999 ? >VAL^A 48 43.18 27.23 14.70 41.09 27.88 14.62 42.13 27.55 14.66 3 0 1000.00 -999 ? >THR.A 49 44.26 24.64 17.25 46.33 25.22 17.58 45.29 24.93 17.41 2 0 1000.00 -999 ? >PRO.A 50 42.92 20.89 18.97 42.63 23.12 19.41 42.78 22.00 19.19 3 0 1000.00 -999 ? >ASN.A 51 44.76 23.96 23.75 46.57 23.31 22.68 45.67 23.64 23.21 2 0 1000.00 -999 ? >ASN.A 52 44.19 29.00 21.24 42.08 28.94 20.88 43.14 28.97 21.06 2 0 1000.00 -999 ? >ARG.A 53 48.79 26.99 24.65 51.56 28.24 25.18 50.18 27.61 24.92 2 0 1000.00 -999 ? >PRO.A 54 52.71 27.41 20.17 50.92 26.25 19.39 51.81 26.83 19.78 3 0 1000.00 -999 ? >LEU^A 55 50.73 22.33 15.67 48.66 21.79 15.39 49.69 22.06 15.53 3 0 1000.00 -999 ? >ILE^A 56 54.85 19.98 18.69 55.98 20.83 19.11 55.41 20.41 18.90 3 0 1000.00 -999 ? >GLY^A 57 54.99 19.27 13.86 55.63 19.22 14.45 55.31 19.24 14.15 1 0 1000.00 -999 ? >ARG.A 58 55.46 13.73 11.43 54.27 11.33 13.05 54.86 12.53 12.24 2 0 1000.00 -999 ? >GLY.A 59 61.00 17.59 11.73 60.59 17.86 12.40 60.80 17.72 12.07 1 0 1000.00 -999 ? >GLY.A 60 61.32 19.81 14.85 60.87 19.99 14.22 61.09 19.90 14.53 1 0 1000.00 -999 ? >ILE^A 61 58.32 22.74 12.43 57.94 22.19 11.13 58.13 22.47 11.78 3 0 1000.00 -999 ? >SER^A 62 56.58 24.72 15.87 56.12 25.93 17.81 56.35 25.32 16.84 2 0 1000.00 -999 ? >VAL^A 63 53.45 26.12 14.16 52.66 25.07 12.39 53.05 25.59 13.27 3 0 1000.00 -999 ? >GLN^A 64 52.36 31.52 16.90 51.59 31.04 18.82 51.97 31.28 17.86 2 0 1000.00 -999 ? >PRO.A 65 47.71 29.03 16.72 49.07 30.04 15.16 48.39 29.54 15.94 3 0 1000.00 -999 ? >THR.A 66 47.26 33.95 14.92 48.46 34.71 13.27 47.86 34.33 14.10 2 0 1000.00 -999 ? >ALA.A 67 43.59 33.42 15.74 42.70 33.42 14.49 43.15 33.42 15.12 2 0 1000.00 -999 ? >GLN~A 68 42.79 32.57 20.56 42.64 33.01 22.65 42.71 32.79 21.60 2 0 1000.00 -999 ? >TRP~A 69 39.75 26.63 19.81 36.21 26.52 21.55 37.98 26.58 20.68 3 0 1000.00 -999 ? >GLN~A 70 36.93 30.06 22.44 38.88 29.20 22.61 37.91 29.63 22.53 2 0 1000.00 -999 ? >SER~A 71 36.83 34.28 17.95 38.97 35.23 18.56 37.90 34.75 18.25 2 0 1000.00 -999 ? >PHE~A 72 36.79 32.17 13.74 39.32 33.13 12.95 38.06 32.65 13.35 3 0 1000.00 -999 ? >ASP.A 73 30.11 33.99 16.04 30.36 34.51 18.02 30.24 34.25 17.03 2 0 1000.00 -999 ? >PHE.A 74 29.69 33.61 9.73 29.64 33.59 6.93 29.67 33.60 8.33 3 0 1000.00 -999 ? >THR.A 75 32.29 30.76 8.97 33.74 29.06 9.10 33.01 29.91 9.03 2 0 1000.00 -999 ? >ASN.A 76 31.75 30.27 4.16 31.16 32.33 4.06 31.45 31.30 4.11 2 0 1000.00 -999 ? >ILE^A 77 34.48 26.25 4.53 34.93 25.80 3.31 34.71 26.03 3.92 3 0 1000.00 -999 ? >LEU^A 78 34.22 24.44 10.02 35.08 23.88 12.06 34.65 24.16 11.04 3 0 1000.00 -999 ? >ILE^A 79 38.94 22.27 7.11 39.62 22.13 5.85 39.28 22.20 6.48 3 0 1000.00 -999 ? >ILE^A 80 37.18 18.77 11.43 36.24 18.44 12.42 36.71 18.61 11.92 3 0 1000.00 -999 ? >GLY.A 81 41.71 17.90 10.22 41.22 17.71 10.83 41.46 17.80 10.52 1 0 1000.00 -999 ? >SER.A 82 43.27 14.62 11.42 44.86 12.82 11.40 44.07 13.72 11.41 2 0 1000.00 -999 ? >ILE.A 83 41.76 13.42 15.86 40.33 13.21 16.11 41.04 13.31 15.99 3 0 1000.00 -999 ? >GLY.A 84 45.73 10.90 14.51 44.88 10.84 14.63 45.31 10.87 14.57 1 0 1000.00 -999 ? >ASP~A 85 45.76 6.80 17.07 44.89 4.97 17.77 45.32 5.88 17.42 2 0 1000.00 -999 ? >PRO~A 86 40.65 7.74 15.26 41.82 8.04 17.18 41.24 7.89 16.22 3 0 1000.00 -999 ? >LEU~A 87 42.32 4.33 20.14 41.19 2.56 20.61 41.76 3.44 20.38 3 0 1000.00 -999 ? >GLU~A 88 46.79 8.74 21.62 46.51 10.25 23.09 46.65 9.50 22.35 2 0 1000.00 -999 ? >SER~A 89 42.70 11.44 21.05 42.56 11.53 18.65 42.63 11.49 19.85 2 0 1000.00 -999 ? >LEU~A 90 38.14 10.23 19.80 36.26 10.54 18.64 37.20 10.38 19.22 3 0 1000.00 -999 ? >ASP~A 91 37.95 10.06 25.00 36.53 8.59 24.35 37.24 9.33 24.68 2 0 1000.00 -999 ? >LYS~A 92 40.44 14.02 25.01 45.34 13.72 26.81 42.89 13.87 25.91 2 0 1000.00 -999 ? >ILE~A 93 38.18 16.43 21.40 38.09 16.61 19.94 38.14 16.52 20.67 3 0 1000.00 -999 ? >ASP~A 94 38.15 21.09 24.40 37.40 22.60 25.62 37.77 21.85 25.01 2 0 1000.00 -999 ? >PRO~A 95 34.18 19.06 27.30 34.47 19.37 25.08 34.32 19.21 26.19 3 0 1000.00 -999 ? >ALA~A 96 33.41 23.11 24.27 34.09 24.23 25.01 33.75 23.67 24.64 2 0 1000.00 -999 ? >LEU~A 97 36.45 21.86 20.71 38.02 22.65 19.39 37.23 22.26 20.05 3 0 1000.00 -999 ? >PHE~A 98 32.86 17.33 20.51 34.38 15.11 19.68 33.62 16.22 20.10 3 0 1000.00 -999 ? >ASP~A 99 29.62 23.16 22.43 29.15 21.89 24.09 29.38 22.53 23.26 2 0 1000.00 -999 ? >TRP~A 100 32.98 27.69 17.79 35.84 26.30 15.44 34.41 27.00 16.62 3 0 1000.00 -999 ? >ILE~A 101 32.17 21.07 15.76 33.16 20.13 15.33 32.67 20.60 15.54 3 0 1000.00 -999 ? >ARG~A 102 25.53 20.23 19.54 22.89 18.66 19.41 24.21 19.44 19.48 2 0 1000.00 -999 ? >GLU~A 103 26.68 25.68 19.03 27.49 27.12 20.46 27.08 26.40 19.74 2 0 1000.00 -999 ? >LEU~A 104 29.98 25.90 13.10 31.54 27.42 13.39 30.76 26.66 13.25 3 0 1000.00 -999 ? >HIS~A 105 26.16 20.64 11.20 24.90 19.30 10.18 25.53 19.97 10.69 3 0 1000.00 -999 ? >LEU~A 106 22.98 24.02 14.53 22.32 22.22 15.72 22.65 23.12 15.13 3 0 1000.00 -999 ? >LYS~A 107 23.96 27.46 11.75 27.49 30.60 16.04 25.72 29.03 13.89 2 0 1000.00 -999 ? >GLY.A 108 24.67 26.24 8.18 25.31 26.31 8.61 24.99 26.27 8.40 1 0 1000.00 -999 ? >SER.A 109 28.50 26.24 7.94 29.52 27.47 9.78 29.01 26.85 8.86 2 0 1000.00 -999 ? >LYS^A 110 29.86 23.71 5.46 27.99 24.20 0.59 28.93 23.96 3.02 2 0 1000.00 -999 ? >ILE^A 111 31.00 20.33 8.73 31.25 21.12 9.94 31.12 20.72 9.33 3 0 1000.00 -999 ? >VAL^A 112 34.62 19.37 5.79 35.50 20.22 3.92 35.06 19.79 4.86 3 0 1000.00 -999 ? >ALA^A 113 36.19 16.48 7.69 35.25 15.60 8.57 35.72 16.04 8.13 2 0 1000.00 -999 ? >ILE^A 114 40.39 15.94 5.68 40.87 17.34 5.40 40.63 16.64 5.54 3 0 1000.00 -999 ? >ASP.A 115 42.66 12.31 7.86 44.07 10.77 8.56 43.36 11.54 8.21 2 0 1000.00 -999 ? >THR~A 116 40.37 10.89 11.19 42.10 10.04 12.17 41.24 10.46 11.68 2 0 1000.00 -999 ? >GLY~A 117 38.58 14.31 11.45 38.39 13.49 11.22 38.48 13.90 11.34 1 0 1000.00 -999 ? >ILE~A 118 35.77 11.00 9.01 35.48 10.53 7.78 35.62 10.77 8.39 3 0 1000.00 -999 ? >PHE~A 119 37.27 8.46 13.98 38.09 5.94 13.11 37.68 7.20 13.55 3 0 1000.00 -999 ? >VAL~A 120 34.95 13.93 15.09 36.25 15.66 15.54 35.60 14.80 15.31 3 0 1000.00 -999 ? >VAL~A 121 31.93 14.56 12.82 32.51 14.98 10.75 32.22 14.77 11.79 3 0 1000.00 -999 ? >ALA~A 122 30.70 10.94 13.58 31.47 9.60 13.40 31.08 10.27 13.49 2 0 1000.00 -999 ? >LYS~A 123 30.90 11.56 17.31 31.85 11.26 22.19 31.38 11.41 19.75 2 0 1000.00 -999 ? >ALA~A 124 29.19 14.93 16.95 29.85 16.17 16.36 29.52 15.55 16.66 2 0 1000.00 -999 ? >GLY~A 125 26.18 13.40 15.08 26.67 13.94 14.77 26.42 13.67 14.93 1 0 1000.00 -999 ? >LEU.A 126 27.76 16.52 11.63 28.59 18.11 12.92 28.18 17.32 12.28 3 0 1000.00 -999 ? >LEU.A 127 26.57 11.76 9.38 28.56 11.69 8.41 27.56 11.72 8.89 3 0 1000.00 -999 ? >GLN.A 128 19.82 13.97 7.62 18.59 14.32 9.38 19.21 14.15 8.50 2 0 1000.00 -999 ? >GLN.A 129 21.32 10.64 4.73 21.11 10.02 2.68 21.21 10.33 3.71 2 0 1000.00 -999 ? >ASN.A 130 23.66 7.08 10.18 23.56 8.00 12.14 23.61 7.54 11.16 2 0 1000.00 -999 ? >LYS^A 131 26.75 6.91 6.33 23.03 4.11 2.19 24.89 5.51 4.26 2 0 1000.00 -999 ? >ALA^A 132 30.48 7.62 6.17 31.05 7.72 7.61 30.77 7.67 6.89 2 0 1000.00 -999 ? >VAL.A 133 33.79 6.73 4.59 33.74 8.22 2.93 33.77 7.47 3.76 3 0 1000.00 -999 ? >MET.A 134 37.12 5.77 6.18 39.25 6.87 8.55 38.18 6.32 7.37 2 0 1000.00 -999 ? >HIS~A 135 42.21 6.04 5.81 42.89 6.84 7.63 42.55 6.44 6.72 3 0 1000.00 -999 ? >SER~A 136 41.51 0.96 5.50 43.48 0.39 4.21 42.50 0.67 4.86 2 0 1000.00 -999 ? >TYR~A 137 46.06 2.65 9.36 47.70 2.14 11.52 46.88 2.40 10.44 3 0 1000.00 -999 ? >PHE~A 138 42.54 4.84 11.95 44.76 5.25 13.57 43.65 5.04 12.76 3 0 1000.00 -999 ? >ALA~A 139 38.10 1.45 9.12 37.89 0.81 7.73 37.99 1.13 8.43 2 0 1000.00 -999 ? >HIS~A 140 38.68 -3.24 13.21 37.93 -4.59 14.63 38.30 -3.91 13.92 3 0 1000.00 -999 ? >LEU~A 141 39.32 2.08 14.98 39.68 3.01 16.95 39.50 2.54 15.97 3 0 1000.00 -999 ? >PHE~A 142 34.35 4.90 11.40 32.38 6.83 11.01 33.37 5.86 11.21 3 0 1000.00 -999 ? >GLY~A 143 33.33 0.16 12.92 33.73 0.50 13.55 33.53 0.33 13.23 1 0 1000.00 -999 ? >GLU~A 144 36.07 -1.96 16.60 34.97 -3.82 16.70 35.52 -2.89 16.65 2 0 1000.00 -999 ? >LEU~A 145 34.08 4.24 17.67 35.94 4.27 18.82 35.01 4.25 18.24 3 0 1000.00 -999 ? >PHE~A 146 31.27 6.13 15.13 32.72 8.08 16.56 31.99 7.11 15.84 3 0 1000.00 -999 ? >PRO.A 147 28.33 0.00 16.67 28.96 1.02 14.77 28.64 0.51 15.72 3 0 1000.00 -999 ? >GLU.A 148 25.26 4.65 15.03 26.94 4.63 16.35 26.10 4.64 15.69 2 0 1000.00 -999 ? >ILE.A 149 28.29 5.41 11.05 28.69 6.81 11.12 28.49 6.11 11.09 3 0 1000.00 -999 ? >MET^A 150 27.45 2.39 7.53 25.07 1.18 4.27 26.26 1.79 5.90 2 0 1000.00 -999 ? >LEU^A 151 32.16 2.01 6.32 33.64 2.88 7.65 32.90 2.44 6.98 3 0 1000.00 -999 ? >MET.A 152 30.59 3.14 2.11 27.47 3.61 2.19 29.03 3.38 2.15 2 0 1000.00 -999 ? >THR.A 153 33.47 0.91 1.31 33.85 -1.21 1.29 33.66 -0.15 1.30 2 0 1000.00 -999 ? >GLU.A 154 33.05 -0.45 -3.28 31.54 -1.28 -4.49 32.30 -0.86 -3.88 2 0 1000.00 -999 ? >GLN.A 155 31.62 6.19 -2.44 29.85 6.75 -1.43 30.73 6.47 -1.94 2 0 1000.00 -999 ? >LYS.A 156 36.88 7.83 -0.76 41.28 5.24 -3.67 39.08 6.54 -2.21 2 0 1000.00 -999 ? >ALA^A 157 34.57 10.75 -0.23 34.99 11.91 -1.13 34.78 11.33 -0.68 2 0 1000.00 -999 ? >LEU^A 158 30.51 10.38 1.74 28.77 9.89 2.99 29.64 10.14 2.37 3 0 1000.00 -999 ? >ILE^A 159 28.64 15.39 -0.25 29.06 16.58 -0.93 28.85 15.99 -0.59 3 0 1000.00 -999 ? >ASP^A 160 25.75 13.50 4.36 23.94 13.03 5.40 24.85 13.26 4.88 2 0 1000.00 -999 ? >GLY.A 161 23.80 17.79 3.29 24.64 17.61 3.05 24.22 17.70 3.17 1 0 1000.00 -999 ? >ASN.A 162 26.13 21.63 4.96 25.43 23.04 3.60 25.78 22.34 4.28 2 0 1000.00 -999 ? >VAL^A 163 28.88 17.77 5.65 28.64 16.78 7.61 28.76 17.28 6.63 3 0 1000.00 -999 ? >TYR^A 164 31.55 18.80 1.87 29.83 20.57 0.56 30.69 19.69 1.21 3 0 1000.00 -999 ? >LEU^A 165 33.16 12.41 4.72 31.93 12.21 6.53 32.55 12.31 5.62 3 0 1000.00 -999 ? >SER^A 166 37.19 12.86 2.57 38.96 13.57 1.08 38.08 13.22 1.82 2 0 1000.00 -999 ? >SER.A 167 39.14 9.73 3.89 37.74 7.81 3.61 38.44 8.77 3.75 2 0 1000.00 -999 ? >GLY.A 168 42.49 10.69 2.41 42.19 9.93 2.66 42.34 10.31 2.53 1 0 1000.00 -999 ? >PRO.A 169 46.45 8.94 4.41 44.58 10.12 3.87 45.51 9.53 4.14 3 0 1000.00 -999 ? >TYR.A 170 48.65 12.67 2.88 49.67 12.24 5.45 49.16 12.45 4.16 3 0 1000.00 -999 ? >SER.A 171 44.33 13.19 -1.31 43.94 12.61 -3.63 44.13 12.90 -2.47 2 0 1000.00 -999 ? >HIS~A 172 41.88 15.45 1.53 42.47 14.20 3.11 42.17 14.82 2.32 3 0 1000.00 -999 ? >SER~A 173 40.80 16.58 -4.49 42.86 15.95 -5.52 41.83 16.27 -5.00 2 0 1000.00 -999 ? >SER~A 174 37.26 15.50 -5.04 36.33 13.57 -3.93 36.80 14.54 -4.48 2 0 1000.00 -999 ? >VAL~A 175 35.93 17.33 -1.95 35.39 16.85 0.16 35.66 17.09 -0.90 3 0 1000.00 -999 ? >MET~A 176 38.09 20.45 -2.29 39.24 21.16 0.76 38.67 20.80 -0.77 2 0 1000.00 -999 ? >LEU~A 177 37.54 19.91 -7.17 39.49 20.04 -8.09 38.51 19.97 -7.63 3 0 1000.00 -999 ? >GLU~A 178 31.38 19.15 -4.46 30.69 18.79 -6.45 31.04 18.97 -5.45 2 0 1000.00 -999 ? >ILE~A 179 34.49 23.25 -1.45 33.63 23.59 -0.49 34.06 23.42 -0.97 3 0 1000.00 -999 ? >VAL~A 180 35.64 25.21 -5.36 37.67 25.41 -6.16 36.65 25.31 -5.76 3 0 1000.00 -999 ? >GLU~A 181 31.49 23.54 -9.68 31.05 21.83 -10.79 31.27 22.69 -10.23 2 0 1000.00 -999 ? >GLU~A 182 29.42 23.70 -4.23 28.65 22.95 -2.43 29.04 23.33 -3.33 2 0 1000.00 -999 ? >TYR~A 183 32.15 28.91 -2.24 31.02 28.24 0.23 31.58 28.58 -1.01 3 0 1000.00 -999 ? >PHE~A 184 35.76 30.29 -6.38 36.72 31.31 -3.95 36.24 30.80 -5.16 3 0 1000.00 -999 ? >GLY~A 185 32.16 27.86 -10.67 32.84 27.57 -10.38 32.50 27.72 -10.53 1 0 1000.00 -999 ? >LYS~A 186 33.20 25.31 -13.25 28.27 23.96 -14.93 30.73 24.63 -14.09 2 0 1000.00 -999 ? >HIS~A 187 35.70 28.22 -17.11 35.18 27.89 -19.11 35.44 28.06 -18.11 3 0 1000.00 -999 ? >THR~A 188 37.83 27.66 -11.56 37.66 29.35 -10.14 37.74 28.50 -10.85 2 0 1000.00 -999 ? >ARG~A 189 35.22 20.89 -10.96 34.29 18.58 -9.07 34.76 19.74 -10.01 2 0 1000.00 -999 ? >ASN~A 190 38.09 23.03 -15.29 36.18 22.15 -15.62 37.13 22.59 -15.46 2 0 1000.00 -999 ? >LEU~A 191 41.76 26.64 -13.27 41.91 28.13 -14.93 41.83 27.38 -14.10 3 0 1000.00 -999 ? >GLY~A 192 42.01 23.64 -9.89 42.00 23.29 -10.64 42.00 23.46 -10.26 1 0 1000.00 -999 ? >ASN~A 193 40.51 19.65 -12.05 40.56 17.59 -12.60 40.54 18.62 -12.33 2 0 1000.00 -999 ? >GLN~A 194 45.23 21.69 -16.23 44.56 20.05 -17.38 44.90 20.87 -16.80 2 0 1000.00 -999 ? >PHE~A 195 47.11 23.73 -8.90 48.57 24.00 -6.49 47.84 23.87 -7.70 3 0 1000.00 -999 ? >LEU~A 196 45.05 18.81 -8.45 44.54 19.47 -6.44 44.79 19.14 -7.45 3 0 1000.00 -999 ? >SER.A 197 47.26 17.15 -12.28 49.35 18.19 -12.88 48.30 17.67 -12.58 2 0 1000.00 -999 ? >THR.A 198 44.58 14.61 -11.25 42.85 15.80 -10.90 43.71 15.21 -11.07 2 0 1000.00 -999 ? >LEU.B 9 67.31 6.67 8.70 67.58 4.84 7.57 67.44 5.76 8.13 3 0 1000.00 -999 ? >ARG^B 10 70.95 13.93 9.08 73.21 14.72 11.00 72.08 14.32 10.04 2 0 1000.00 -999 ? >VAL^B 11 65.97 12.98 6.72 64.05 12.09 6.07 65.01 12.54 6.40 3 0 1000.00 -999 ? >VAL^B 12 66.50 16.68 5.98 68.30 17.85 6.38 67.40 17.26 6.18 3 0 1000.00 -999 ? >ALA^B 13 63.61 18.47 4.26 62.26 18.02 4.75 62.93 18.25 4.51 2 0 1000.00 -999 ? >LEU^B 14 65.25 22.19 1.67 66.14 24.11 1.21 65.69 23.15 1.44 3 0 1000.00 -999 ? >ALA.B 15 60.98 23.98 2.44 60.03 23.90 3.66 60.51 23.94 3.05 2 0 1000.00 -999 ? >PRO.B 16 62.58 25.33 -1.30 61.54 26.31 0.44 62.06 25.82 -0.43 3 0 1000.00 -999 ? >THR.B 17 58.30 28.69 0.49 57.00 28.96 -1.30 57.65 28.82 -0.40 2 0 1000.00 -999 ? >GLY.B 18 55.47 28.96 3.06 55.41 29.06 2.22 55.44 29.01 2.64 1 0 1000.00 -999 ? >ARG.B 19 52.58 32.42 -0.49 50.88 32.80 2.04 51.73 32.61 0.78 2 0 1000.00 -999 ? >TYR.B 20 52.62 26.21 -3.08 50.56 27.61 -4.40 51.59 26.91 -3.74 3 0 1000.00 -999 ? >PHE~B 21 54.83 24.56 4.40 53.12 25.07 6.57 53.98 24.82 5.48 3 0 1000.00 -999 ? >ALA~B 22 52.27 21.05 2.90 50.83 21.10 2.44 51.55 21.08 2.67 2 0 1000.00 -999 ? >SER~B 23 53.83 18.41 0.66 54.87 19.48 -1.29 54.35 18.94 -0.32 2 0 1000.00 -999 ? >ILE~B 24 57.92 19.78 3.07 59.34 19.39 2.95 58.63 19.59 3.01 3 0 1000.00 -999 ? >ILE~B 25 54.06 18.94 6.52 54.87 19.42 7.63 54.46 19.18 7.08 3 0 1000.00 -999 ? >SER~B 26 53.01 15.08 4.43 52.55 15.49 2.02 52.78 15.29 3.23 2 0 1000.00 -999 ? >SER~B 27 56.21 13.41 3.21 56.83 14.25 0.98 56.52 13.83 2.10 2 0 1000.00 -999 ? >LEU~B 28 58.01 14.76 7.60 60.02 15.64 7.23 59.02 15.20 7.41 3 0 1000.00 -999 ? >GLU~B 29 52.88 14.24 8.77 51.00 15.27 8.56 51.94 14.76 8.66 2 0 1000.00 -999 ? >ILE~B 30 54.26 9.27 4.28 53.63 9.05 3.02 53.94 9.16 3.65 3 0 1000.00 -999 ? >LEU~B 31 59.17 9.27 6.01 60.05 9.16 3.98 59.61 9.21 5.00 3 0 1000.00 -999 ? >GLU~B 32 58.88 10.93 10.92 58.82 12.55 12.33 58.85 11.74 11.62 2 0 1000.00 -999 ? >THR~B 33 54.63 6.79 10.40 52.53 7.27 10.32 53.58 7.03 10.36 2 0 1000.00 -999 ? >ALA~B 34 56.06 3.96 8.22 56.67 4.17 6.85 56.36 4.06 7.54 2 0 1000.00 -999 ? >ALA~B 35 59.08 3.77 10.55 60.07 4.87 10.72 59.57 4.32 10.63 2 0 1000.00 -999 ? >GLU~B 36 55.92 5.61 14.30 54.18 6.86 14.53 55.05 6.24 14.41 2 0 1000.00 -999 ? >PHE~B 37 53.61 0.60 10.79 51.19 1.96 10.84 52.40 1.28 10.82 3 0 1000.00 -999 ? >ALA.B 38 59.42 -0.92 11.83 60.34 -0.29 10.78 59.88 -0.61 11.31 2 0 1000.00 -999 ? >PHE.B 43 62.83 7.98 8.75 62.87 6.34 6.45 62.85 7.16 7.60 3 0 1000.00 -999 ? >MET^B 44 65.19 11.56 12.78 66.90 13.59 15.67 66.04 12.58 14.23 2 0 1000.00 -999 ? >THR^B 45 63.71 14.18 10.41 61.61 13.53 10.05 62.66 13.85 10.23 2 0 1000.00 -999 ? >HIS^B 46 66.76 17.29 11.16 67.72 16.10 12.61 67.24 16.70 11.89 3 0 1000.00 -999 ? >VAL^B 47 62.64 20.76 8.40 60.53 21.27 8.05 61.59 21.01 8.23 3 0 1000.00 -999 ? >VAL^B 48 64.92 23.56 7.20 66.85 22.46 6.80 65.88 23.01 7.00 3 0 1000.00 -999 ? >THR.B 49 64.30 26.83 5.33 63.13 27.87 6.86 63.72 27.35 6.10 2 0 1000.00 -999 ? >PRO.B 50 64.96 28.40 1.36 66.13 28.29 3.27 65.54 28.34 2.31 3 0 1000.00 -999 ? >ASN.B 51 66.78 32.78 5.00 64.68 32.92 5.40 65.73 32.85 5.20 2 0 1000.00 -999 ? >ASN.B 52 68.09 29.32 9.22 69.48 28.09 8.24 68.78 28.71 8.73 2 0 1000.00 -999 ? >ARG.B 53 65.47 34.57 10.04 64.42 35.86 12.62 64.95 35.22 11.33 2 0 1000.00 -999 ? >PRO.B 54 60.39 32.17 12.10 60.91 31.24 10.07 60.65 31.71 11.08 3 0 1000.00 -999 ? >LEU^B 55 57.67 28.89 6.37 58.90 27.79 4.95 58.28 28.34 5.66 3 0 1000.00 -999 ? >ILE^B 56 54.82 33.71 6.33 54.64 34.30 7.57 54.73 34.00 6.95 3 0 1000.00 -999 ? >GLY^B 57 52.28 29.67 5.80 52.00 30.41 6.11 52.14 30.04 5.96 1 0 1000.00 -999 ? >ARG.B 58 48.22 28.81 1.13 48.87 30.30 -1.55 48.55 29.55 -0.21 2 0 1000.00 -999 ? >GLY.B 59 45.83 30.51 7.35 46.58 30.99 7.40 46.21 30.75 7.38 1 0 1000.00 -999 ? >GLY.B 60 47.86 33.06 9.35 48.06 32.26 9.31 47.96 32.66 9.33 1 0 1000.00 -999 ? >ILE^B 61 50.42 29.12 10.58 49.86 27.84 9.96 50.14 28.48 10.27 3 0 1000.00 -999 ? >SER^B 62 54.28 30.88 11.09 55.14 32.04 13.08 54.71 31.46 12.09 2 0 1000.00 -999 ? >VAL^B 63 56.35 27.67 11.07 55.75 26.06 9.74 56.05 26.87 10.40 3 0 1000.00 -999 ? >GLN^B 64 60.80 28.58 15.35 61.94 30.20 14.59 61.37 29.39 14.97 2 0 1000.00 -999 ? >PRO.B 65 63.19 27.22 10.66 61.95 26.11 12.23 62.57 26.66 11.44 3 0 1000.00 -999 ? >THR.B 66 64.83 24.39 15.01 63.45 23.26 16.25 64.14 23.82 15.63 2 0 1000.00 -999 ? >ALA.B 67 67.82 23.29 12.85 67.79 21.87 12.32 67.80 22.58 12.59 2 0 1000.00 -999 ? >GLN~B 68 70.53 27.23 11.72 71.75 28.93 11.84 71.14 28.08 11.78 2 0 1000.00 -999 ? >TRP~B 69 69.87 26.59 5.02 73.36 26.52 3.14 71.61 26.55 4.08 3 0 1000.00 -999 ? >GLN~B 70 74.73 26.82 6.41 73.00 28.06 6.82 73.86 27.44 6.62 2 0 1000.00 -999 ? >SER~B 71 74.51 22.06 10.22 73.47 23.21 12.05 73.99 22.63 11.14 2 0 1000.00 -999 ? >PHE~B 72 71.63 18.78 8.51 69.65 19.03 10.48 70.64 18.91 9.50 3 0 1000.00 -999 ? >ASP.B 73 78.43 17.20 7.43 79.29 19.02 8.07 78.86 18.11 7.75 2 0 1000.00 -999 ? >PHE.B 74 75.55 11.61 6.18 74.32 9.19 5.44 74.93 10.40 5.81 3 0 1000.00 -999 ? >THR.B 75 71.86 12.81 5.35 70.05 13.84 4.58 70.96 13.33 4.96 2 0 1000.00 -999 ? >ASN.B 76 69.52 8.56 5.16 70.93 7.76 6.53 70.23 8.16 5.84 2 0 1000.00 -999 ? >ILE^B 77 66.03 10.91 2.77 64.84 10.14 2.61 65.43 10.52 2.69 3 0 1000.00 -999 ? >LEU^B 78 68.40 15.87 0.85 68.69 18.01 0.79 68.55 16.94 0.82 3 0 1000.00 -999 ? >ILE^B 79 62.54 16.03 1.10 61.33 15.23 1.38 61.94 15.63 1.24 3 0 1000.00 -999 ? >ILE^B 80 64.47 19.77 -2.87 65.57 20.25 -3.50 65.02 20.01 -3.18 3 0 1000.00 -999 ? >GLY.B 81 60.00 20.95 -1.59 60.56 21.28 -2.04 60.28 21.11 -1.82 1 0 1000.00 -999 ? >SER.B 82 58.01 23.19 -3.86 56.14 24.33 -4.78 57.07 23.76 -4.32 2 0 1000.00 -999 ? >ILE.B 83 60.86 26.75 -5.58 61.96 26.31 -6.47 61.41 26.53 -6.03 3 0 1000.00 -999 ? >GLY.B 84 56.10 27.83 -5.89 56.78 27.54 -6.36 56.44 27.69 -6.12 1 0 1000.00 -999 ? >ASP~B 85 55.73 31.11 -9.29 56.25 32.05 -11.15 55.99 31.58 -10.22 2 0 1000.00 -999 ? >PRO~B 86 59.18 27.01 -11.08 59.25 29.10 -10.32 59.21 28.06 -10.70 3 0 1000.00 -999 ? >LEU~B 87 58.57 32.74 -13.39 58.76 34.15 -15.05 58.66 33.44 -14.22 3 0 1000.00 -999 ? >GLU~B 88 58.69 35.12 -7.13 59.63 37.01 -7.21 59.16 36.06 -7.17 2 0 1000.00 -999 ? >SER~B 89 61.79 32.06 -6.94 60.81 29.89 -6.94 61.30 30.98 -6.94 2 0 1000.00 -999 ? >LEU~B 90 64.26 29.18 -10.09 65.47 27.44 -10.70 64.86 28.31 -10.40 3 0 1000.00 -999 ? >ASP~B 91 66.48 34.11 -10.14 66.96 33.85 -12.16 66.72 33.98 -11.15 2 0 1000.00 -999 ? >LYS~B 92 66.63 33.97 -5.69 63.22 37.98 -7.03 64.92 35.97 -6.36 2 0 1000.00 -999 ? >ILE~B 93 67.44 29.30 -4.67 66.82 28.01 -4.51 67.13 28.66 -4.59 3 0 1000.00 -999 ? >ASP~B 94 71.18 30.88 -0.80 73.17 31.06 -0.07 72.17 30.97 -0.43 2 0 1000.00 -999 ? >PRO~B 95 74.36 31.97 -5.03 73.34 30.11 -4.23 73.85 31.04 -4.63 3 0 1000.00 -999 ? >ALA~B 96 75.33 28.05 -1.48 75.67 28.78 -0.18 75.50 28.41 -0.83 2 0 1000.00 -999 ? >LEU~B 97 70.81 26.29 -1.17 69.73 26.72 0.72 70.27 26.51 -0.23 3 0 1000.00 -999 ? >PHE~B 98 71.75 25.59 -6.46 69.32 26.73 -7.33 70.54 26.16 -6.89 3 0 1000.00 -999 ? >ASP~B 99 77.54 24.52 -2.90 78.37 25.80 -4.32 77.95 25.16 -3.61 2 0 1000.00 -999 ? >TRP~B 100 74.44 21.41 3.00 70.48 21.06 2.96 72.46 21.23 2.98 3 0 1000.00 -999 ? >ILE~B 101 71.58 20.27 -3.39 70.25 20.51 -3.82 70.92 20.39 -3.61 3 0 1000.00 -999 ? >ARG~B 102 76.63 20.69 -7.90 75.78 23.63 -7.92 76.20 22.16 -7.91 2 0 1000.00 -999 ? >GLU~B 103 79.18 19.71 -1.32 79.55 21.43 -0.13 79.36 20.57 -0.73 2 0 1000.00 -999 ? >LEU~B 104 73.71 16.15 0.48 73.48 17.11 2.42 73.59 16.63 1.45 3 0 1000.00 -999 ? >HIS~B 105 73.73 13.48 -5.65 73.68 12.15 -7.26 73.70 12.81 -6.45 3 0 1000.00 -999 ? >LEU~B 106 79.19 13.91 -3.74 79.89 14.65 -5.66 79.54 14.28 -4.70 3 0 1000.00 -999 ? >LYS~B 107 78.00 11.64 0.03 79.36 16.81 3.23 78.68 14.23 1.63 2 0 1000.00 -999 ? >GLY.B 108 75.28 9.25 -0.90 74.97 9.94 -0.71 75.12 9.59 -0.81 1 0 1000.00 -999 ? >SER.B 109 71.98 10.98 0.01 72.60 12.82 1.42 72.29 11.90 0.72 2 0 1000.00 -999 ? >LYS^B 110 68.84 10.11 -1.80 67.82 4.94 -1.77 68.33 7.52 -1.79 2 0 1000.00 -999 ? >ILE^B 111 68.54 14.20 -4.19 69.19 15.28 -3.38 68.86 14.74 -3.79 3 0 1000.00 -999 ? >VAL^B 112 63.85 13.60 -3.44 62.60 12.10 -2.42 63.23 12.85 -2.93 3 0 1000.00 -999 ? >ALA^B 113 62.48 16.60 -5.42 63.24 17.02 -6.72 62.86 16.81 -6.07 2 0 1000.00 -999 ? >ILE^B 114 58.01 16.83 -4.01 58.10 16.27 -2.56 58.05 16.55 -3.29 3 0 1000.00 -999 ? >ASP.B 115 55.74 20.34 -6.41 54.44 21.81 -7.28 55.09 21.08 -6.85 2 0 1000.00 -999 ? >THR~B 116 58.56 22.63 -8.60 57.32 24.39 -8.50 57.94 23.51 -8.55 2 0 1000.00 -999 ? >GLY~B 117 61.41 21.42 -6.31 61.16 21.29 -7.10 61.28 21.36 -6.70 1 0 1000.00 -999 ? >ILE~B 118 61.25 18.75 -10.39 60.62 17.66 -11.10 60.93 18.21 -10.75 3 0 1000.00 -999 ? >PHE~B 119 61.81 24.33 -12.05 59.78 24.65 -14.00 60.79 24.49 -13.02 3 0 1000.00 -999 ? >VAL~B 120 66.06 23.00 -8.14 65.95 23.57 -6.04 66.01 23.28 -7.09 3 0 1000.00 -999 ? >VAL~B 121 67.66 19.59 -8.79 66.45 17.89 -8.04 67.06 18.74 -8.42 3 0 1000.00 -999 ? >ALA~B 122 67.62 20.20 -12.57 66.44 20.63 -13.46 67.03 20.42 -13.01 2 0 1000.00 -999 ? >LYS~B 123 69.56 23.40 -12.06 70.75 28.78 -11.71 70.16 26.09 -11.89 2 0 1000.00 -999 ? >ALA~B 124 71.90 21.71 -9.54 71.53 21.07 -8.23 71.71 21.39 -8.89 2 0 1000.00 -999 ? >GLY~B 125 72.95 19.36 -12.33 72.56 19.06 -11.70 72.75 19.21 -12.02 1 0 1000.00 -999 ? >LEU.B 126 71.10 16.06 -9.35 71.76 17.14 -7.53 71.43 16.60 -8.44 3 0 1000.00 -999 ? >LEU.B 127 68.56 15.27 -14.19 66.75 15.60 -12.96 67.66 15.43 -13.57 3 0 1000.00 -999 ? >GLN.B 128 74.42 10.64 -14.93 75.59 9.45 -13.60 75.00 10.04 -14.26 2 0 1000.00 -999 ? >GLN.B 129 70.37 8.49 -16.46 69.22 6.78 -15.88 69.79 7.64 -16.17 2 0 1000.00 -999 ? >ASN.B 130 69.33 14.46 -20.06 70.90 15.85 -19.90 70.12 15.16 -19.98 2 0 1000.00 -999 ? >LYS^B 131 65.19 13.05 -18.11 64.91 7.55 -21.21 65.05 10.30 -19.66 2 0 1000.00 -999 ? >ALA^B 132 62.60 14.76 -15.90 62.95 16.27 -15.60 62.78 15.51 -15.75 2 0 1000.00 -999 ? >VAL.B 133 58.88 15.03 -15.20 58.49 13.22 -13.97 58.68 14.12 -14.58 3 0 1000.00 -999 ? >MET.B 134 56.90 18.27 -14.75 57.11 20.92 -13.02 57.01 19.59 -13.88 2 0 1000.00 -999 ? >HIS~B 135 52.72 19.94 -12.32 52.76 19.21 -10.35 52.74 19.58 -11.34 3 0 1000.00 -999 ? >SER~B 136 52.09 20.21 -18.20 49.72 20.26 -18.28 50.90 20.23 -18.24 2 0 1000.00 -999 ? >TYR~B 137 50.48 23.83 -14.83 50.47 22.79 -12.21 50.48 23.31 -13.52 3 0 1000.00 -999 ? >PHE~B 138 55.14 25.15 -13.74 54.32 27.10 -11.85 54.73 26.12 -12.80 3 0 1000.00 -999 ? >ALA~B 139 56.56 22.17 -18.91 55.85 21.11 -19.78 56.20 21.64 -19.35 2 0 1000.00 -999 ? >HIS~B 140 56.69 27.24 -22.59 57.50 28.90 -23.58 57.10 28.07 -23.08 3 0 1000.00 -999 ? >LEU~B 141 58.43 27.67 -17.19 59.33 29.27 -16.00 58.88 28.47 -16.60 3 0 1000.00 -999 ? >PHE~B 142 61.54 21.77 -16.67 63.53 19.98 -15.77 62.54 20.87 -16.22 3 0 1000.00 -999 ? >GLY~B 143 62.04 23.61 -21.32 62.10 24.27 -20.87 62.07 23.94 -21.10 1 0 1000.00 -999 ? >GLU~B 144 61.11 28.66 -22.38 61.91 28.82 -24.33 61.51 28.74 -23.36 2 0 1000.00 -999 ? >LEU~B 145 64.90 26.92 -17.21 64.21 28.80 -16.25 64.56 27.86 -16.73 3 0 1000.00 -999 ? >PHE~B 146 66.31 23.16 -16.75 66.35 24.49 -14.27 66.33 23.83 -15.51 3 0 1000.00 -999 ? >PRO.B 147 68.00 24.60 -23.19 66.60 23.05 -22.37 67.30 23.83 -22.78 3 0 1000.00 -999 ? >GLU.B 148 70.41 19.66 -20.97 69.71 21.32 -19.74 70.06 20.49 -20.35 2 0 1000.00 -999 ? >ILE.B 149 66.20 18.15 -18.99 66.42 18.07 -17.59 66.31 18.11 -18.29 3 0 1000.00 -999 ? >MET^B 150 63.74 15.50 -21.89 63.15 11.89 -24.04 63.44 13.69 -22.96 2 0 1000.00 -999 ? >LEU^B 151 59.38 16.76 -20.03 59.59 18.52 -18.76 59.48 17.64 -19.40 3 0 1000.00 -999 ? >MET.B 152 58.51 12.29 -19.70 61.22 10.62 -20.73 59.86 11.46 -20.21 2 0 1000.00 -999 ? >THR.B 153 54.95 13.46 -20.45 54.11 14.56 -22.10 54.53 14.01 -21.27 2 0 1000.00 -999 ? >GLN.B 155 56.62 8.11 -16.55 58.73 7.88 -16.81 57.67 8.00 -16.68 2 0 1000.00 -999 ? >LYS.B 156 54.39 11.78 -12.66 49.44 14.14 -10.15 51.91 12.96 -11.40 2 0 1000.00 -999 ? >ALA^B 157 57.51 10.27 -11.04 57.15 9.38 -9.87 57.33 9.82 -10.46 2 0 1000.00 -999 ? >LEU^B 158 61.40 10.35 -13.27 63.07 10.55 -14.57 62.24 10.45 -13.92 3 0 1000.00 -999 ? >ILE^B 159 63.90 6.50 -9.77 63.85 5.72 -8.54 63.88 6.11 -9.15 3 0 1000.00 -999 ? >ASP^B 160 67.71 10.04 -12.55 69.58 10.22 -13.60 68.65 10.13 -13.08 2 0 1000.00 -999 ? >GLY.B 161 70.11 6.79 -9.79 69.35 7.10 -9.59 69.73 6.94 -9.69 1 0 1000.00 -999 ? >ASN.B 162 70.91 8.63 -5.39 71.72 7.02 -4.30 71.31 7.82 -4.84 2 0 1000.00 -999 ? >VAL^B 163 67.54 11.19 -7.48 68.34 13.03 -8.39 67.94 12.11 -7.93 3 0 1000.00 -999 ? >TYR^B 164 63.97 8.93 -5.45 65.36 6.67 -4.55 64.66 7.80 -5.00 3 0 1000.00 -999 ? >LEU^B 165 61.51 13.67 -10.34 63.47 14.56 -10.94 62.49 14.12 -10.64 3 0 1000.00 -999 ? >SER^B 166 57.60 13.39 -7.97 55.89 12.45 -6.51 56.75 12.92 -7.24 2 0 1000.00 -999 ? >SER.B 167 55.39 16.17 -9.64 55.48 15.58 -12.00 55.44 15.88 -10.82 2 0 1000.00 -999 ? >GLY.B 168 52.47 15.77 -7.20 52.44 16.05 -8.02 52.45 15.91 -7.61 1 0 1000.00 -999 ? >PRO.B 169 49.86 19.87 -7.13 51.32 18.12 -6.74 50.59 18.99 -6.93 3 0 1000.00 -999 ? >TYR.B 170 49.06 18.60 -2.61 49.15 21.36 -2.53 49.10 19.98 -2.57 3 0 1000.00 -999 ? >SER.B 171 50.38 12.85 -3.94 49.20 12.37 -5.95 49.79 12.61 -4.94 2 0 1000.00 -999 ? >HIS~B 172 54.68 13.85 -3.58 54.37 15.76 -4.41 54.53 14.81 -3.99 3 0 1000.00 -999 ? >SER~B 173 52.87 7.93 -2.72 51.03 7.14 -4.09 51.95 7.53 -3.41 2 0 1000.00 -999 ? >SER~B 174 54.92 6.02 -5.28 54.98 7.21 -7.40 54.95 6.62 -6.34 2 0 1000.00 -999 ? >VAL~B 175 58.26 7.70 -4.46 59.40 9.44 -5.22 58.83 8.57 -4.84 3 0 1000.00 -999 ? >MET~B 176 57.59 7.63 -0.69 58.06 10.48 0.90 57.83 9.06 0.11 2 0 1000.00 -999 ? >LEU~B 177 55.38 3.36 -1.32 53.53 3.41 -0.23 54.45 3.38 -0.77 3 0 1000.00 -999 ? >GLU~B 178 59.87 3.25 -5.40 61.22 1.68 -5.70 60.54 2.47 -5.55 2 0 1000.00 -999 ? >ILE~B 179 61.90 6.24 0.07 62.49 7.48 0.05 62.20 6.86 0.06 3 0 1000.00 -999 ? >VAL~B 180 60.09 3.04 2.65 58.14 3.21 3.71 59.12 3.12 3.18 3 0 1000.00 -999 ? >GLU~B 181 60.01 -2.31 -0.61 59.34 -2.94 -2.54 59.68 -2.62 -1.57 2 0 1000.00 -999 ? >GLU~B 182 64.82 1.48 -1.85 65.78 3.01 -2.97 65.30 2.24 -2.41 2 0 1000.00 -999 ? >TYR~B 183 65.64 3.40 4.26 67.38 5.22 3.11 66.51 4.31 3.68 3 0 1000.00 -999 ? >PHE~B 184 61.46 0.68 6.93 62.08 3.14 8.12 61.77 1.91 7.52 3 0 1000.00 -999 ? >GLY~B 185 61.79 -4.11 3.12 61.18 -3.57 3.29 61.49 -3.84 3.20 1 0 1000.00 -999 ? >GLN~B 194 44.95 -2.95 6.89 44.32 -3.93 8.73 44.64 -3.44 7.81 2 0 1000.00 -999 ? >PHE~B 195 50.59 3.30 7.41 51.78 5.76 6.78 51.18 4.53 7.09 3 0 1000.00 -999 ? >LEU~B 196 52.26 0.08 3.36 54.20 0.81 4.40 53.23 0.45 3.88 3 0 1000.00 -999 ? >SER~B 197 48.01 0.08 1.57 46.27 -1.37 0.92 47.14 -0.65 1.25 2 0 1000.00 -999 ? >THR~B 198 46.13 3.18 2.75 45.14 3.80 4.57 45.63 3.49 3.66 2 0 1000.00 -999 ? >ILE~B 199 50.40 5.34 1.87 50.51 6.70 2.29 50.45 6.02 2.08 3 0 1000.00 -999 ? >GLU~B 200 50.16 1.53 -3.33 51.38 -0.18 -3.26 50.77 0.68 -3.29 2 0 1000.00 -999 ? >SER~B 201 45.56 3.31 -2.60 44.24 3.68 -0.59 44.90 3.50 -1.59 2 0 1000.00 -999 ? >GLU~B 202 45.38 7.97 -0.55 45.51 9.82 0.52 45.44 8.90 -0.01 2 0 1000.00 -999 ? >GLY.B 203 47.88 6.66 -6.06 47.06 6.35 -5.91 47.47 6.51 -5.99 1 0 1000.00 -999 ? >ASN.C 8 35.42 -5.57 -23.25 35.32 -5.86 -25.36 35.37 -5.71 -24.30 2 0 1000.00 -999 ? >LEU^C 9 33.94 -9.44 -19.19 32.67 -9.59 -17.46 33.31 -9.51 -18.32 3 0 1000.00 -999 ? >ARG^C 10 42.06 -8.56 -19.11 43.44 -6.41 -20.80 42.75 -7.48 -19.96 2 0 1000.00 -999 ? >VAL^C 11 39.64 -12.67 -16.56 38.41 -14.28 -15.76 39.02 -13.48 -16.16 3 0 1000.00 -999 ? >VAL^C 12 43.29 -13.37 -15.90 44.93 -11.94 -16.37 44.11 -12.65 -16.14 3 0 1000.00 -999 ? >ALA^C 13 44.20 -16.61 -14.15 43.35 -17.83 -14.59 43.77 -17.22 -14.37 2 0 1000.00 -999 ? >LEU^C 14 48.26 -16.14 -11.61 50.35 -15.84 -11.08 49.30 -15.99 -11.35 3 0 1000.00 -999 ? >ALA.C 15 48.71 -20.74 -12.41 48.40 -21.70 -13.56 48.55 -21.22 -12.99 2 0 1000.00 -999 ? >PRO.C 16 50.30 -19.75 -8.54 51.06 -20.87 -10.38 50.68 -20.31 -9.46 3 0 1000.00 -999 ? >THR.C 17 52.52 -24.61 -10.48 52.39 -25.87 -8.73 52.45 -25.24 -9.60 2 0 1000.00 -999 ? >GLY.C 18 51.95 -27.45 -12.95 52.06 -27.53 -12.13 52.01 -27.49 -12.54 1 0 1000.00 -999 ? >ARG.C 19 54.45 -31.11 -9.45 54.46 -32.82 -11.95 54.45 -31.97 -10.70 2 0 1000.00 -999 ? >TYR.C 20 48.55 -29.40 -6.85 49.31 -31.67 -5.41 48.93 -30.53 -6.13 3 0 1000.00 -999 ? >PHE~C 21 47.62 -26.96 -14.27 47.54 -28.78 -16.45 47.58 -27.87 -15.36 3 0 1000.00 -999 ? >ALA~C 22 43.49 -28.26 -12.82 43.13 -29.69 -12.40 43.31 -28.97 -12.61 2 0 1000.00 -999 ? >SER~C 23 41.39 -25.98 -10.57 42.83 -25.30 -8.71 42.11 -25.64 -9.64 2 0 1000.00 -999 ? >ILE~C 24 43.89 -22.56 -13.08 43.82 -21.13 -12.86 43.85 -21.84 -12.97 3 0 1000.00 -999 ? >ILE~C 25 41.93 -26.27 -16.38 42.55 -25.77 -17.58 42.24 -26.02 -16.98 3 0 1000.00 -999 ? >SER~C 26 38.01 -25.98 -14.37 38.23 -26.41 -11.96 38.12 -26.20 -13.16 2 0 1000.00 -999 ? >SER~C 27 37.34 -22.35 -13.23 38.25 -22.12 -11.00 37.79 -22.23 -12.12 2 0 1000.00 -999 ? >LEU~C 28 39.12 -20.97 -17.65 40.54 -19.38 -17.23 39.83 -20.18 -17.44 3 0 1000.00 -999 ? >GLU~C 29 37.01 -25.97 -18.77 37.46 -28.00 -18.39 37.23 -26.99 -18.58 2 0 1000.00 -999 ? >ILE~C 30 32.82 -22.85 -14.37 32.46 -23.34 -13.08 32.64 -23.10 -13.73 3 0 1000.00 -999 ? >LEU~C 31 34.48 -18.16 -16.09 34.58 -17.36 -14.11 34.53 -17.76 -15.10 3 0 1000.00 -999 ? >GLU~C 32 36.00 -19.14 -21.07 37.48 -19.64 -22.55 36.74 -19.39 -21.81 2 0 1000.00 -999 ? >THR~C 33 30.68 -21.84 -20.50 30.36 -23.95 -20.24 30.52 -22.90 -20.37 2 0 1000.00 -999 ? >ALA~C 34 28.54 -19.37 -18.52 28.76 -18.83 -17.10 28.65 -19.10 -17.81 2 0 1000.00 -999 ? >ALA~C 35 29.58 -16.60 -20.93 31.01 -16.13 -21.14 30.29 -16.36 -21.03 2 0 1000.00 -999 ? >GLU~C 36 30.80 -20.13 -24.77 31.83 -22.00 -24.56 31.32 -21.07 -24.66 2 0 1000.00 -999 ? >PHE~C 37 25.07 -21.76 -21.30 25.17 -24.55 -21.46 25.12 -23.16 -21.38 3 0 1000.00 -999 ? >ALA~C 38 24.72 -15.85 -21.77 25.35 -15.08 -20.63 25.03 -15.46 -21.20 2 0 1000.00 -999 ? >GLU.C 39 23.98 -16.30 -26.78 22.00 -16.35 -27.57 22.99 -16.33 -27.18 2 0 1000.00 -999 ? >PHE.C 40 29.02 -11.46 -21.76 29.95 -9.04 -20.71 29.48 -10.25 -21.23 3 0 1000.00 -999 ? >GLN.C 41 28.32 -10.81 -28.15 28.60 -12.60 -29.30 28.46 -11.70 -28.73 2 0 1000.00 -999 ? >GLY.C 42 33.40 -9.54 -25.32 33.08 -10.04 -24.83 33.24 -9.79 -25.07 1 0 1000.00 -999 ? >PHE^C 43 33.97 -13.77 -20.81 34.78 -14.98 -18.45 34.37 -14.38 -19.63 3 0 1000.00 -999 ? >MET^C 44 38.11 -13.07 -22.61 39.34 -13.14 -25.95 38.72 -13.10 -24.28 2 0 1000.00 -999 ? >THR^C 45 40.08 -15.29 -20.19 38.92 -17.08 -19.99 39.50 -16.19 -20.09 2 0 1000.00 -999 ? >HIS^C 46 43.98 -13.25 -21.02 43.16 -11.92 -22.42 43.57 -12.58 -21.72 3 0 1000.00 -999 ? >VAL^C 47 46.14 -18.15 -18.32 46.07 -20.27 -17.97 46.11 -19.21 -18.15 3 0 1000.00 -999 ? >VAL^C 48 49.47 -16.84 -17.19 48.86 -14.74 -16.84 49.16 -15.79 -17.02 3 0 1000.00 -999 ? >THR.C 49 52.46 -18.40 -15.45 53.23 -19.80 -16.89 52.84 -19.10 -16.17 2 0 1000.00 -999 ? >PRO.C 50 54.19 -18.52 -11.54 54.38 -17.12 -13.32 54.28 -17.82 -12.43 3 0 1000.00 -999 ? >ASN.C 51 58.94 -17.63 -14.99 58.55 -19.70 -15.45 58.75 -18.67 -15.22 2 0 1000.00 -999 ? >ASN.C 52 56.01 -15.48 -19.22 55.26 -13.82 -18.17 55.64 -14.65 -18.70 2 0 1000.00 -999 ? >ARG.C 53 60.27 -19.57 -20.11 61.15 -21.08 -22.64 60.71 -20.32 -21.38 2 0 1000.00 -999 ? >PRO.C 54 56.44 -23.59 -22.10 55.68 -22.86 -20.12 56.06 -23.23 -21.11 3 0 1000.00 -999 ? >LEU^C 55 52.48 -25.24 -16.43 51.83 -23.85 -14.96 52.16 -24.55 -15.70 3 0 1000.00 -999 ? >ILE^C 56 56.35 -29.32 -16.42 56.81 -29.56 -17.67 56.58 -29.44 -17.05 3 0 1000.00 -999 ? >GLY^C 57 51.72 -30.68 -15.74 52.42 -31.11 -16.00 52.07 -30.89 -15.87 1 0 1000.00 -999 ? >ARG.C 58 49.92 -34.28 -10.99 51.32 -34.06 -8.24 50.62 -34.17 -9.62 2 0 1000.00 -999 ? >GLY.C 59 50.97 -37.07 -17.28 51.56 -36.48 -17.27 51.27 -36.77 -17.28 1 0 1000.00 -999 ? >GLY.C 60 53.93 -35.74 -19.26 53.20 -35.35 -19.24 53.56 -35.54 -19.25 1 0 1000.00 -999 ? >ILE^C 61 50.83 -32.23 -20.52 49.44 -32.61 -19.92 50.13 -32.42 -20.22 3 0 1000.00 -999 ? >SER^C 62 53.69 -29.05 -21.39 55.11 -27.79 -22.88 54.40 -28.42 -22.14 2 0 1000.00 -999 ? >VAL^C 63 51.10 -26.18 -20.98 49.37 -26.27 -19.63 50.24 -26.22 -20.30 3 0 1000.00 -999 ? >GLN^C 64 53.01 -22.06 -25.33 54.92 -21.43 -24.61 53.97 -21.75 -24.97 2 0 1000.00 -999 ? >PRO.C 65 52.34 -19.44 -20.64 50.89 -20.33 -22.14 51.61 -19.89 -21.39 3 0 1000.00 -999 ? >THR.C 66 50.32 -17.11 -24.95 48.95 -18.16 -26.24 49.64 -17.63 -25.59 2 0 1000.00 -999 ? >ALA.C 67 50.29 -13.94 -22.88 48.91 -13.53 -22.47 49.60 -13.73 -22.68 2 0 1000.00 -999 ? >GLN~C 68 54.65 -12.37 -21.89 56.63 -11.66 -22.17 55.64 -12.02 -22.03 2 0 1000.00 -999 ? >TRP~C 69 53.88 -12.99 -15.01 54.86 -9.65 -13.11 54.37 -11.32 -14.06 3 0 1000.00 -999 ? >GLN~C 70 55.67 -8.40 -16.65 56.30 -10.43 -16.82 55.99 -9.41 -16.74 2 0 1000.00 -999 ? >SER~C 71 51.10 -7.21 -20.27 50.20 -9.11 -21.47 50.65 -8.16 -20.87 2 0 1000.00 -999 ? >PHE~C 72 46.98 -9.21 -18.56 46.78 -11.31 -20.37 46.88 -10.26 -19.46 3 0 1000.00 -999 ? >ASP.C 73 47.45 -2.11 -17.61 49.37 -1.85 -18.42 48.41 -1.98 -18.01 2 0 1000.00 -999 ? >PHE.C 74 41.60 -3.07 -15.11 39.16 -3.21 -13.60 40.38 -3.14 -14.36 3 0 1000.00 -999 ? >THR.C 75 41.55 -7.09 -15.37 42.00 -9.11 -14.64 41.78 -8.10 -15.00 2 0 1000.00 -999 ? >ASN.C 76 36.79 -7.73 -14.90 36.41 -6.23 -16.39 36.60 -6.98 -15.65 2 0 1000.00 -999 ? >ILE^C 77 37.82 -11.81 -12.54 36.67 -12.60 -12.35 37.24 -12.20 -12.45 3 0 1000.00 -999 ? >LEU^C 78 43.30 -11.32 -10.76 45.40 -11.86 -10.71 44.35 -11.59 -10.74 3 0 1000.00 -999 ? >ILE^C 79 41.56 -16.96 -11.01 40.47 -17.95 -11.25 41.01 -17.45 -11.13 3 0 1000.00 -999 ? >ILE^C 80 45.75 -16.24 -7.08 46.59 -15.31 -6.48 46.17 -15.77 -6.78 3 0 1000.00 -999 ? >GLY.C 81 45.53 -20.84 -8.40 46.06 -20.38 -7.95 45.80 -20.61 -8.18 1 0 1000.00 -999 ? >SER.C 82 47.22 -23.30 -6.11 47.84 -25.46 -5.19 47.53 -24.38 -5.65 2 0 1000.00 -999 ? >ILE.C 83 51.50 -21.66 -4.39 51.37 -20.44 -3.47 51.43 -21.05 -3.93 3 0 1000.00 -999 ? >GLY.C 84 51.04 -26.51 -4.11 51.03 -25.76 -3.62 51.03 -26.13 -3.87 1 0 1000.00 -999 ? >ASP~C 85 54.20 -27.85 -0.69 55.30 -27.55 1.09 54.75 -27.70 0.20 2 0 1000.00 -999 ? >PRO~C 86 51.37 -23.44 1.25 53.33 -23.83 0.26 52.35 -23.64 0.75 3 0 1000.00 -999 ? >LEU~C 87 56.64 -25.40 3.41 58.05 -25.72 5.02 57.35 -25.56 4.21 3 0 1000.00 -999 ? >GLU~C 88 59.13 -25.92 -2.94 61.26 -25.76 -2.89 60.19 -25.84 -2.91 2 0 1000.00 -999 ? >SER~C 89 56.84 -22.28 -3.18 54.47 -22.67 -3.09 55.65 -22.48 -3.14 2 0 1000.00 -999 ? >LEU~C 90 54.98 -19.11 0.04 53.50 -17.58 0.59 54.24 -18.34 0.32 3 0 1000.00 -999 ? >ASP~C 91 59.91 -17.53 0.44 58.97 -17.03 2.29 59.44 -17.28 1.36 2 0 1000.00 -999 ? >LYS~C 92 60.19 -18.39 -4.25 63.08 -23.69 -3.18 61.63 -21.04 -3.71 2 0 1000.00 -999 ? >ILE~C 93 56.04 -16.25 -5.53 54.74 -16.51 -5.56 55.39 -16.38 -5.55 3 0 1000.00 -999 ? >ASP~C 94 58.48 -13.08 -9.35 59.37 -11.36 -10.17 58.92 -12.22 -9.76 2 0 1000.00 -999 ? >PRO~C 95 60.67 -10.42 -5.21 58.54 -10.87 -5.90 59.61 -10.64 -5.55 3 0 1000.00 -999 ? >ALA~C 96 57.09 -8.31 -8.59 57.82 -8.18 -9.94 57.46 -8.24 -9.27 2 0 1000.00 -999 ? >LEU~C 97 54.04 -12.13 -8.93 53.80 -13.35 -10.66 53.92 -12.74 -9.79 3 0 1000.00 -999 ? >PHE~C 98 53.72 -11.18 -3.59 54.18 -13.89 -2.93 53.95 -12.53 -3.26 3 0 1000.00 -999 ? >ASP~C 99 54.43 -5.29 -7.04 55.92 -4.92 -5.54 55.17 -5.11 -6.29 2 0 1000.00 -999 ? >TRP~C 100 50.44 -7.21 -12.90 48.87 -10.85 -13.02 49.66 -9.03 -12.96 3 0 1000.00 -999 ? >ILE~C 101 48.61 -9.69 -6.60 48.46 -11.09 -6.16 48.54 -10.39 -6.38 3 0 1000.00 -999 ? >ARG~C 102 50.59 -4.86 -2.12 53.09 -6.66 -2.26 51.84 -5.76 -2.19 2 0 1000.00 -999 ? >GLU~C 103 50.51 -3.22 -8.99 51.82 -1.66 -9.68 51.16 -2.44 -9.34 2 0 1000.00 -999 ? >LEU~C 104 45.15 -6.32 -10.24 45.92 -6.79 -12.23 45.53 -6.56 -11.23 3 0 1000.00 -999 ? >HIS~C 105 42.81 -5.57 -3.98 41.57 -5.26 -2.32 42.19 -5.42 -3.15 3 0 1000.00 -999 ? >LEU~C 106 45.03 -0.66 -5.39 45.88 -0.46 -3.35 45.45 -0.56 -4.37 3 0 1000.00 -999 ? >LYS~C 107 42.57 -0.70 -9.37 47.61 -0.60 -13.27 45.09 -0.65 -11.32 2 0 1000.00 -999 ? >GLY.C 108 39.27 -2.50 -8.55 39.84 -2.98 -8.79 39.55 -2.74 -8.67 1 0 1000.00 -999 ? >SER.C 109 39.88 -6.12 -9.77 41.82 -6.14 -11.27 40.85 -6.13 -10.52 2 0 1000.00 -999 ? >LYS^C 110 38.09 -9.00 -8.09 33.73 -8.05 -7.17 35.91 -8.52 -7.63 2 0 1000.00 -999 ? >ILE^C 111 41.81 -10.78 -5.63 42.90 -10.40 -6.46 42.35 -10.59 -6.05 3 0 1000.00 -999 ? >VAL^C 112 39.75 -14.91 -6.41 38.01 -15.65 -7.47 38.88 -15.28 -6.94 3 0 1000.00 -999 ? >ALA^C 113 42.26 -17.12 -4.58 43.04 -16.51 -3.39 42.65 -16.82 -3.98 2 0 1000.00 -999 ? >ILE^C 114 41.23 -21.53 -5.90 40.75 -21.40 -7.38 40.99 -21.46 -6.64 3 0 1000.00 -999 ? >ASP.C 115 43.94 -24.68 -3.54 45.08 -26.30 -2.73 44.51 -25.49 -3.13 2 0 1000.00 -999 ? >THR~C 116 46.92 -22.61 -1.32 48.22 -24.35 -1.38 47.57 -23.48 -1.35 2 0 1000.00 -999 ? >GLY~C 117 46.59 -19.55 -3.63 46.38 -19.74 -2.81 46.48 -19.65 -3.22 1 0 1000.00 -999 ? >ILE~C 118 44.06 -18.96 0.57 42.87 -19.18 1.24 43.47 -19.07 0.90 3 0 1000.00 -999 ? >PHE~C 119 49.52 -20.10 2.14 49.28 -22.08 4.08 49.40 -21.09 3.11 3 0 1000.00 -999 ? >VAL~C 120 49.53 -15.59 -1.83 49.97 -15.90 -3.97 49.75 -15.74 -2.90 3 0 1000.00 -999 ? >VAL~C 121 46.75 -13.02 -1.20 44.80 -13.70 -1.99 45.78 -13.36 -1.59 3 0 1000.00 -999 ? >ALA~C 122 47.54 -13.21 2.55 47.58 -14.44 3.41 47.56 -13.83 2.98 2 0 1000.00 -999 ? >LYS~C 123 51.19 -12.41 1.90 56.75 -14.50 -0.56 53.97 -13.45 0.67 2 0 1000.00 -999 ? >ALA~C 124 50.23 -9.69 -0.58 49.46 -9.94 -1.93 49.85 -9.82 -1.25 2 0 1000.00 -999 ? >GLY.C 125 48.29 -7.92 2.19 47.90 -8.25 1.57 48.10 -8.08 1.88 1 0 1000.00 -999 ? >LEU.C 126 44.47 -8.84 -0.69 45.44 -8.18 -2.52 44.96 -8.51 -1.60 3 0 1000.00 -999 ? >LEU.C 127 43.08 -10.77 4.26 42.97 -12.56 3.07 43.03 -11.66 3.66 3 0 1000.00 -999 ? >GLN.C 128 40.33 -4.95 3.65 40.62 -3.93 1.77 40.47 -4.44 2.71 2 0 1000.00 -999 ? >GLN.C 129 37.28 -7.10 6.56 35.32 -7.66 6.10 36.30 -7.38 6.33 2 0 1000.00 -999 ? >ASN.C 130 42.47 -9.58 10.24 43.96 -8.15 10.07 43.21 -8.86 10.16 2 0 1000.00 -999 ? >LYS^C 131 40.13 -13.32 8.29 34.89 -11.72 11.52 37.51 -12.52 9.90 2 0 1000.00 -999 ? >ALA^C 132 40.75 -16.28 5.97 42.24 -16.35 5.69 41.49 -16.31 5.83 2 0 1000.00 -999 ? >VAL.C 133 39.81 -19.94 5.39 38.07 -19.79 4.08 38.94 -19.86 4.74 3 0 1000.00 -999 ? >MET.C 134 42.21 -22.86 4.89 45.02 -23.42 3.11 43.62 -23.14 4.00 2 0 1000.00 -999 ? >HIS~C 135 42.61 -27.32 2.38 42.47 -26.85 0.33 42.54 -27.08 1.36 3 0 1000.00 -999 ? >SER~C 136 42.84 -28.18 8.21 42.17 -30.50 8.16 42.51 -29.34 8.19 2 0 1000.00 -999 ? >TYR~C 137 45.85 -30.66 4.89 44.83 -30.41 2.30 45.34 -30.54 3.60 3 0 1000.00 -999 ? >PHE~C 138 48.58 -26.56 3.69 50.24 -27.95 1.93 49.41 -27.26 2.81 3 0 1000.00 -999 ? >ALA~C 139 45.99 -24.34 8.91 44.76 -24.82 9.75 45.37 -24.58 9.33 2 0 1000.00 -999 ? >HIS~C 140 50.77 -25.64 12.65 52.60 -25.35 13.65 51.69 -25.49 13.15 3 0 1000.00 -999 ? >LEU~C 141 51.68 -24.16 7.21 53.41 -23.82 5.93 52.55 -23.99 6.57 3 0 1000.00 -999 ? >PHE~C 142 47.04 -19.46 6.75 45.99 -17.08 5.64 46.52 -18.27 6.20 3 0 1000.00 -999 ? >GLY~C 143 48.93 -19.53 11.31 49.56 -19.67 10.84 49.25 -19.60 11.08 1 0 1000.00 -999 ? >GLU~C 144 53.51 -21.85 12.32 53.86 -21.25 14.30 53.69 -21.55 13.31 2 0 1000.00 -999 ? >LEU~C 145 53.00 -17.71 7.08 54.39 -18.98 6.12 53.69 -18.35 6.60 3 0 1000.00 -999 ? >PHE~C 146 49.92 -15.28 6.71 51.15 -15.53 4.16 50.54 -15.41 5.44 3 0 1000.00 -999 ? >PRO.C 147 52.10 -14.31 13.05 49.97 -14.80 12.39 51.04 -14.55 12.72 3 0 1000.00 -999 ? >GLU.C 148 47.94 -10.47 10.73 49.51 -11.72 9.95 48.73 -11.10 10.34 2 0 1000.00 -999 ? >ILE.C 149 45.26 -13.89 9.05 45.30 -13.62 7.68 45.28 -13.75 8.36 3 0 1000.00 -999 ? >MET^C 150 42.04 -15.40 12.02 38.60 -14.71 14.33 40.32 -15.06 13.17 2 0 1000.00 -999 ? >LEU^C 151 41.98 -19.96 10.26 43.59 -20.37 8.80 42.79 -20.17 9.53 3 0 1000.00 -999 ? >MET.C 152 37.43 -19.41 9.99 36.48 -16.33 10.89 36.95 -17.87 10.44 2 0 1000.00 -999 ? >THR.C 153 37.44 -23.19 10.71 38.19 -24.26 12.41 37.82 -23.73 11.56 2 0 1000.00 -999 ? >GLU.C 154 32.57 -23.08 12.14 31.11 -24.57 12.59 31.84 -23.83 12.37 2 0 1000.00 -999 ? >GLN.C 155 32.72 -20.16 6.88 33.23 -18.12 7.09 32.98 -19.14 6.99 2 0 1000.00 -999 ? >LYS.C 156 35.29 -23.35 2.89 34.13 -28.27 5.20 34.71 -25.81 4.04 2 0 1000.00 -999 ? >ALA^C 157 34.88 -19.87 1.32 33.89 -19.87 0.14 34.38 -19.87 0.73 2 0 1000.00 -999 ? >LEU^C 158 36.13 -16.13 3.59 37.08 -14.42 4.61 36.61 -15.27 4.10 3 0 1000.00 -999 ? >ILE^C 159 33.16 -12.47 0.21 32.28 -12.40 -0.79 32.72 -12.44 -0.29 3 0 1000.00 -999 ? >ASP^C 160 37.78 -10.02 2.70 38.49 -8.28 3.74 38.14 -9.15 3.22 2 0 1000.00 -999 ? >GLY.C 161 35.25 -6.85 -0.09 35.34 -7.65 -0.31 35.29 -7.25 -0.20 1 0 1000.00 -999 ? >ASN.C 162 37.23 -6.55 -4.49 35.93 -4.89 -4.89 36.58 -5.72 -4.69 2 0 1000.00 -999 ? >VAL^C 163 38.64 -10.60 -2.37 40.60 -10.46 -1.50 39.62 -10.53 -1.94 3 0 1000.00 -999 ? >TYR^C 164 35.33 -13.42 -4.35 33.49 -11.47 -5.18 34.41 -12.45 -4.76 3 0 1000.00 -999 ? >LEU^C 165 39.27 -17.03 0.45 40.72 -15.53 1.09 39.99 -16.28 0.77 3 0 1000.00 -999 ? >SER^C 166 37.92 -20.71 -1.78 36.39 -22.01 -3.20 37.16 -21.36 -2.49 2 0 1000.00 -999 ? >SER.C 167 39.73 -23.72 -0.15 39.65 -23.25 2.19 39.69 -23.49 1.02 2 0 1000.00 -999 ? >GLY.C 168 38.74 -26.52 -2.60 38.96 -26.62 -1.78 38.85 -26.57 -2.19 1 0 1000.00 -999 ? >PRO.C 169 41.94 -30.09 -2.92 40.83 -28.13 -3.03 41.38 -29.11 -2.97 3 0 1000.00 -999 ? >TYR.C 170 40.23 -30.71 -6.99 42.92 -31.35 -7.40 41.58 -31.03 -7.19 3 0 1000.00 -999 ? >SER.C 171 35.24 -27.79 -5.62 33.01 -28.39 -4.77 34.13 -28.09 -5.20 2 0 1000.00 -999 ? >HIS~C 172 37.58 -23.98 -6.25 39.31 -24.62 -5.24 38.44 -24.30 -5.74 3 0 1000.00 -999 ? >SER~C 173 31.49 -23.94 -7.68 30.99 -26.29 -7.96 31.24 -25.12 -7.82 2 0 1000.00 -999 ? >SER~C 174 30.01 -21.42 -5.30 30.73 -21.52 -2.95 30.37 -21.47 -4.13 2 0 1000.00 -999 ? >VAL~C 175 32.60 -18.70 -5.74 34.38 -17.99 -4.72 33.49 -18.35 -5.23 3 0 1000.00 -999 ? >MET~C 176 32.73 -19.11 -9.57 35.89 -19.18 -10.46 34.31 -19.15 -10.02 2 0 1000.00 -999 ? >LEU~C 177 27.95 -20.18 -9.13 27.39 -22.02 -10.11 27.67 -21.10 -9.62 3 0 1000.00 -999 ? >GLU~C 178 28.69 -16.19 -4.90 27.18 -14.74 -4.65 27.94 -15.47 -4.78 2 0 1000.00 -999 ? >ILE~C 179 32.62 -14.92 -10.47 33.58 -13.84 -10.23 33.10 -14.38 -10.35 3 0 1000.00 -999 ? >VAL~C 180 28.92 -15.74 -12.79 28.37 -17.64 -13.82 28.64 -16.69 -13.31 3 0 1000.00 -999 ? >GLU~C 181 24.08 -13.43 -9.56 22.80 -14.18 -8.06 23.44 -13.80 -8.81 2 0 1000.00 -999 ? >GLU~C 182 28.84 -10.30 -8.78 30.15 -8.82 -8.08 29.50 -9.56 -8.43 2 0 1000.00 -999 ? >TYR~C 183 30.98 -10.33 -13.98 32.91 -8.90 -12.58 31.94 -9.61 -13.28 3 0 1000.00 -999 ? >PHE~C 184 28.01 -14.03 -17.35 30.69 -14.01 -18.17 29.35 -14.02 -17.76 3 0 1000.00 -999 ? >GLY~C 185 23.01 -12.49 -14.09 23.45 -13.17 -14.16 23.23 -12.83 -14.13 1 0 1000.00 -999 ? >HIS~C 187 18.86 -16.58 -17.70 18.47 -17.93 -19.26 18.67 -17.25 -18.48 3 0 1000.00 -999 ? >THR~C 188 22.65 -18.05 -16.25 23.96 -17.46 -17.85 23.31 -17.76 -17.05 2 0 1000.00 -999 ? >ARG~C 189 23.90 -18.71 -9.30 25.43 -17.99 -6.70 24.66 -18.35 -8.00 2 0 1000.00 -999 ? >ASN.D 8 55.83 -50.50 -12.55 57.65 -49.39 -12.44 56.74 -49.95 -12.50 2 0 1000.00 -999 ? >LEU^D 9 50.81 -48.46 -10.89 49.74 -49.81 -9.51 50.28 -49.13 -10.20 3 0 1000.00 -999 ? >ARG^D 10 51.12 -47.32 -18.95 53.31 -49.21 -19.85 52.22 -48.27 -19.40 2 0 1000.00 -999 ? >VAL^D 11 47.69 -44.63 -15.81 46.67 -43.56 -14.19 47.18 -44.09 -15.00 3 0 1000.00 -999 ? >VAL^D 12 46.82 -43.47 -19.32 47.49 -44.24 -21.23 47.16 -43.85 -20.28 3 0 1000.00 -999 ? >ALA^D 13 44.34 -40.59 -19.54 44.51 -39.46 -18.51 44.42 -40.03 -19.02 2 0 1000.00 -999 ? >LEU^D 14 41.75 -41.05 -23.52 41.35 -40.99 -25.71 41.55 -41.02 -24.61 3 0 1000.00 -999 ? >ALA.D 15 41.52 -36.31 -23.13 42.43 -35.26 -22.55 41.98 -35.79 -22.84 2 0 1000.00 -999 ? >PRO.D 16 37.99 -37.71 -25.09 39.51 -36.05 -25.49 38.75 -36.88 -25.29 3 0 1000.00 -999 ? >THR.D 17 38.81 -32.14 -26.05 36.79 -31.41 -26.06 37.80 -31.77 -26.05 2 0 1000.00 -999 ? >GLY.D 18 40.51 -28.96 -24.83 39.70 -29.09 -24.93 40.11 -29.03 -24.88 1 0 1000.00 -999 ? >ARG.D 19 36.17 -25.71 -26.58 38.26 -23.55 -26.04 37.22 -24.63 -26.31 2 0 1000.00 -999 ? >TYR.D 20 34.18 -29.36 -21.29 32.33 -27.30 -21.69 33.25 -28.33 -21.49 3 0 1000.00 -999 ? >PHE~D 21 41.90 -30.24 -20.67 43.72 -28.16 -20.22 42.81 -29.20 -20.44 3 0 1000.00 -999 ? >ALA~D 22 40.21 -30.06 -16.35 39.47 -28.85 -15.73 39.84 -29.45 -16.04 2 0 1000.00 -999 ? >SER~D 23 38.56 -33.17 -14.99 36.84 -34.10 -16.49 37.70 -33.63 -15.74 2 0 1000.00 -999 ? >ILE~D 24 41.74 -35.44 -18.03 41.90 -36.91 -18.40 41.82 -36.17 -18.22 3 0 1000.00 -999 ? >ILE~D 25 44.35 -31.67 -15.28 45.52 -31.90 -16.04 44.94 -31.78 -15.66 3 0 1000.00 -999 ? >SER~D 26 42.27 -33.24 -11.56 39.83 -33.34 -11.79 41.05 -33.29 -11.67 2 0 1000.00 -999 ? >SER~D 27 42.11 -37.01 -11.75 40.06 -37.45 -12.96 41.08 -37.23 -12.36 2 0 1000.00 -999 ? >LEU~D 28 46.73 -37.00 -13.55 46.77 -38.25 -15.37 46.75 -37.63 -14.46 3 0 1000.00 -999 ? >GLU~D 29 46.69 -32.43 -10.55 45.95 -30.47 -10.61 46.32 -31.45 -10.58 2 0 1000.00 -999 ? >ILE~D 30 42.94 -37.10 -7.25 41.59 -37.01 -6.82 42.27 -37.06 -7.04 3 0 1000.00 -999 ? >LEU~D 31 45.77 -40.91 -9.56 44.01 -42.23 -9.97 44.89 -41.57 -9.77 3 0 1000.00 -999 ? >GLU~D 32 50.33 -38.53 -10.49 51.84 -37.58 -11.63 51.09 -38.06 -11.06 2 0 1000.00 -999 ? >THR~D 33 48.98 -37.25 -4.80 48.15 -35.38 -4.14 48.56 -36.31 -4.47 2 0 1000.00 -999 ? >ALA~D 34 47.71 -40.54 -3.39 46.47 -41.26 -3.97 47.09 -40.90 -3.68 2 0 1000.00 -999 ? >ALA~D 35 50.72 -42.45 -4.79 51.17 -42.57 -6.26 50.94 -42.51 -5.53 2 0 1000.00 -999 ? >GLU~D 36 53.30 -38.00 -4.67 53.09 -35.90 -5.18 53.19 -36.95 -4.92 2 0 1000.00 -999 ? >PHE~D 37 48.99 -39.12 0.63 47.91 -36.52 0.63 48.45 -37.82 0.63 3 0 1000.00 -999 ? >ALA~D 38 51.57 -44.35 -0.24 50.95 -45.15 -1.37 51.26 -44.75 -0.81 2 0 1000.00 -999 ? >GLU.D 39 55.63 -42.76 1.64 56.68 -42.95 3.49 56.16 -42.86 2.57 2 0 1000.00 -999 ? >PHE.D 40 53.53 -47.12 -5.61 53.64 -49.10 -7.57 53.58 -48.11 -6.59 3 0 1000.00 -999 ? >GLN.D 41 59.41 -45.05 -4.57 60.93 -43.59 -4.46 60.17 -44.32 -4.52 2 0 1000.00 -999 ? >GLY.D 42 56.74 -46.72 -9.68 56.14 -46.36 -9.30 56.44 -46.54 -9.49 1 0 1000.00 -999 ? >PHE^D 43 51.39 -43.88 -9.68 48.64 -43.65 -10.04 50.02 -43.76 -9.86 3 0 1000.00 -999 ? >MET^D 44 53.48 -43.31 -14.03 56.96 -44.52 -15.84 55.22 -43.91 -14.94 2 0 1000.00 -999 ? >THR^D 45 50.74 -41.39 -15.77 50.19 -40.01 -14.16 50.47 -40.70 -14.96 2 0 1000.00 -999 ? >HIS^D 46 52.02 -41.95 -19.86 53.75 -42.98 -19.24 52.88 -42.47 -19.55 3 0 1000.00 -999 ? >VAL^D 47 47.84 -37.74 -21.04 46.97 -35.76 -20.57 47.41 -36.75 -20.81 3 0 1000.00 -999 ? >VAL^D 48 47.01 -38.70 -24.64 47.19 -40.93 -24.48 47.10 -39.82 -24.56 3 0 1000.00 -999 ? >THR.D 49 44.66 -37.14 -27.18 45.68 -35.23 -27.53 45.17 -36.19 -27.35 2 0 1000.00 -999 ? >PRO.D 50 40.70 -37.76 -28.77 42.80 -38.47 -29.30 41.75 -38.12 -29.04 3 0 1000.00 -999 ? >ASN.D 51 43.99 -36.49 -33.68 43.78 -34.56 -32.67 43.88 -35.53 -33.17 2 0 1000.00 -999 ? >ASN.D 52 48.83 -38.22 -31.28 48.19 -40.24 -30.86 48.51 -39.23 -31.07 2 0 1000.00 -999 ? >ARG.D 53 48.01 -33.12 -34.47 49.94 -30.77 -34.93 48.98 -31.95 -34.70 2 0 1000.00 -999 ? >PRO.D 54 49.43 -29.61 -30.24 47.94 -31.08 -29.31 48.68 -30.35 -29.77 3 0 1000.00 -999 ? >LEU^D 55 44.33 -30.10 -25.38 43.34 -31.92 -24.71 43.83 -31.01 -25.04 3 0 1000.00 -999 ? >ILE^D 56 43.12 -25.62 -28.74 44.20 -24.91 -29.20 43.66 -25.27 -28.97 3 0 1000.00 -999 ? >GLY.D 57 42.35 -25.16 -23.89 42.49 -24.54 -24.46 42.42 -24.85 -24.17 1 0 1000.00 -999 ? >ARG.D 58 37.51 -22.99 -22.03 34.75 -23.85 -22.93 36.13 -23.42 -22.48 2 0 1000.00 -999 ? >GLY.D 59 42.59 -18.86 -21.67 42.74 -19.32 -22.36 42.66 -19.09 -22.01 1 0 1000.00 -999 ? >GLY.D 60 44.81 -19.24 -24.67 44.85 -19.80 -24.08 44.83 -19.52 -24.37 1 0 1000.00 -999 ? >ILE.D 61 46.71 -22.92 -22.23 46.15 -23.18 -20.92 46.43 -23.05 -21.58 3 0 1000.00 -999 ? >SER^D 62 47.96 -25.22 -25.73 49.72 -25.73 -27.37 48.84 -25.48 -26.55 2 0 1000.00 -999 ? >VAL^D 63 48.63 -28.68 -24.07 47.47 -29.17 -22.27 48.05 -28.92 -23.17 3 0 1000.00 -999 ? >GLN^D 64 53.65 -30.98 -26.96 52.77 -31.63 -28.78 53.21 -31.31 -27.87 2 0 1000.00 -999 ? >PRO.D 65 49.74 -34.78 -26.43 51.22 -33.78 -25.06 50.48 -34.28 -25.75 3 0 1000.00 -999 ? >THR.D 66 54.61 -36.43 -24.92 55.69 -35.63 -23.23 55.15 -36.03 -24.08 2 0 1000.00 -999 ? >ALA.D 67 53.13 -39.91 -25.83 52.96 -40.87 -24.69 53.04 -40.39 -25.26 2 0 1000.00 -999 ? >GLN~D 68 51.91 -40.34 -30.59 52.28 -40.66 -32.68 52.09 -40.50 -31.64 2 0 1000.00 -999 ? >TRP~D 69 45.58 -42.01 -29.80 44.48 -45.47 -31.34 45.03 -43.74 -30.57 3 0 1000.00 -999 ? >GLN~D 70 48.06 -45.63 -32.26 47.74 -43.56 -32.48 47.90 -44.59 -32.37 2 0 1000.00 -999 ? >SER~D 71 52.25 -46.51 -27.90 52.74 -44.71 -26.37 52.50 -45.61 -27.13 2 0 1000.00 -999 ? >PHE~D 72 50.29 -46.02 -23.57 51.77 -43.78 -22.71 51.03 -44.90 -23.14 3 0 1000.00 -999 ? >ASP.D 73 50.69 -52.81 -25.93 52.39 -53.03 -24.66 51.54 -52.92 -25.30 2 0 1000.00 -999 ? >PHE.D 74 49.05 -53.68 -19.60 48.08 -54.42 -17.06 48.56 -54.05 -18.33 3 0 1000.00 -999 ? >THR.D 75 47.75 -49.89 -18.67 46.54 -48.09 -18.69 47.14 -48.99 -18.68 2 0 1000.00 -999 ? >ASN.D 76 47.44 -50.28 -13.88 49.20 -51.51 -13.90 48.32 -50.90 -13.89 2 0 1000.00 -999 ? >ILE^D 77 44.06 -46.71 -14.15 43.85 -46.21 -12.95 43.95 -46.46 -13.55 3 0 1000.00 -999 ? >LEU^D 78 42.31 -46.77 -19.59 42.14 -46.03 -21.60 42.23 -46.40 -20.59 3 0 1000.00 -999 ? >ILE^D 79 41.19 -41.67 -16.97 41.29 -40.96 -15.72 41.24 -41.31 -16.34 3 0 1000.00 -999 ? >ILE^D 80 37.46 -42.42 -21.34 37.18 -43.31 -22.17 37.32 -42.86 -21.75 3 0 1000.00 -999 ? >GLY.D 81 37.51 -37.78 -20.23 37.17 -38.22 -20.85 37.34 -38.00 -20.54 1 0 1000.00 -999 ? >SER.D 82 34.77 -35.51 -21.50 33.53 -33.43 -21.61 34.15 -34.47 -21.56 2 0 1000.00 -999 ? >ILE.D 83 33.34 -36.85 -25.95 32.78 -38.16 -26.12 33.06 -37.51 -26.04 3 0 1000.00 -999 ? >GLY.D 84 31.87 -32.30 -24.81 31.58 -33.13 -24.80 31.72 -32.72 -24.81 1 0 1000.00 -999 ? >ASP~D 85 27.77 -31.54 -27.24 25.76 -32.00 -27.76 26.77 -31.77 -27.50 2 0 1000.00 -999 ? >PRO~D 86 27.49 -36.73 -25.42 28.21 -35.67 -27.28 27.85 -36.20 -26.35 3 0 1000.00 -999 ? >LEU~D 87 24.73 -34.08 -30.14 22.93 -34.24 -31.31 23.83 -34.16 -30.72 3 0 1000.00 -999 ? >GLU~D 88 28.10 -31.26 -31.33 29.00 -29.57 -30.45 28.55 -30.42 -30.89 2 0 1000.00 -999 ? >SER~D 89 31.51 -35.67 -31.05 31.39 -35.41 -28.65 31.45 -35.54 -29.85 2 0 1000.00 -999 ? >LEU~D 90 29.32 -39.85 -29.79 29.32 -41.73 -28.67 29.32 -40.79 -29.23 3 0 1000.00 -999 ? >ASP~D 91 29.23 -40.06 -34.98 27.60 -41.33 -34.71 28.41 -40.69 -34.84 2 0 1000.00 -999 ? >LYS~D 92 33.56 -38.58 -35.06 34.36 -33.99 -38.09 33.96 -36.29 -36.57 2 0 1000.00 -999 ? >ILE~D 93 35.34 -41.15 -31.38 35.41 -41.19 -30.01 35.38 -41.17 -30.69 3 0 1000.00 -999 ? >ASP~D 94 39.79 -42.49 -34.42 40.97 -43.94 -35.36 40.38 -43.22 -34.89 2 0 1000.00 -999 ? >PRO~D 95 36.07 -45.84 -36.78 37.11 -45.62 -34.75 36.59 -45.73 -35.76 3 0 1000.00 -999 ? >ALA~D 96 40.43 -47.57 -33.85 41.69 -47.24 -34.63 41.06 -47.40 -34.24 2 0 1000.00 -999 ? >LEU~D 97 39.63 -44.41 -30.19 41.12 -42.86 -29.65 40.38 -43.63 -29.92 3 0 1000.00 -999 ? >PHE~D 98 35.00 -46.88 -30.15 33.56 -44.51 -29.84 34.28 -45.69 -29.99 3 0 1000.00 -999 ? >ASP~D 99 39.88 -51.57 -31.67 38.44 -51.79 -33.24 39.16 -51.68 -32.46 2 0 1000.00 -999 ? >TRP~D 100 45.06 -48.70 -27.46 44.38 -45.50 -25.25 44.72 -47.10 -26.35 3 0 1000.00 -999 ? >ILE~D 101 38.50 -48.45 -25.16 37.79 -47.42 -24.87 38.15 -47.94 -25.02 3 0 1000.00 -999 ? >ARG~D 102 35.21 -53.48 -28.00 34.61 -51.56 -30.23 34.91 -52.52 -29.12 2 0 1000.00 -999 ? >GLU~D 103 42.56 -54.64 -28.48 43.35 -53.55 -30.21 42.95 -54.10 -29.34 2 0 1000.00 -999 ? >LEU~D 104 43.16 -51.09 -22.60 44.96 -49.99 -23.22 44.06 -50.54 -22.91 3 0 1000.00 -999 ? >HIS~D 105 37.37 -54.02 -20.40 36.00 -55.08 -19.21 36.68 -54.55 -19.80 3 0 1000.00 -999 ? >LEU~D 106 40.18 -57.91 -23.58 38.08 -58.52 -24.22 39.13 -58.22 -23.90 3 0 1000.00 -999 ? >LYS~D 107 43.83 -57.25 -20.82 46.95 -54.92 -25.72 45.39 -56.09 -23.27 2 0 1000.00 -999 ? >GLY.D 108 42.61 -56.27 -17.37 42.71 -55.63 -17.82 42.66 -55.95 -17.60 1 0 1000.00 -999 ? >SER.D 109 42.83 -52.46 -17.25 44.15 -51.85 -19.14 43.49 -52.15 -18.20 2 0 1000.00 -999 ? >LYS^D 110 40.48 -50.56 -15.08 40.49 -52.62 -10.37 40.48 -51.59 -12.72 2 0 1000.00 -999 ? >ILE^D 111 37.57 -48.98 -18.50 38.52 -48.87 -19.57 38.04 -48.93 -19.03 3 0 1000.00 -999 ? >VAL^D 112 37.32 -45.12 -15.74 38.18 -44.36 -13.85 37.75 -44.74 -14.79 3 0 1000.00 -999 ? >ALA^D 113 34.92 -42.88 -17.59 33.91 -43.56 -18.51 34.42 -43.22 -18.05 2 0 1000.00 -999 ? >ILE^D 114 35.20 -38.62 -15.60 36.71 -38.50 -15.27 35.96 -38.56 -15.43 3 0 1000.00 -999 ? >ASP.D 115 32.44 -35.59 -17.99 31.29 -33.85 -18.43 31.86 -34.72 -18.21 2 0 1000.00 -999 ? >THR~D 116 30.50 -37.53 -21.23 29.99 -35.67 -22.24 30.24 -36.60 -21.73 2 0 1000.00 -999 ? >GLY~D 117 33.38 -39.99 -21.50 32.58 -40.05 -21.23 32.98 -40.02 -21.36 1 0 1000.00 -999 ? >ILE~D 118 29.64 -42.01 -19.09 28.99 -42.16 -17.81 29.32 -42.09 -18.45 3 0 1000.00 -999 ? >PHE~D 119 27.57 -40.30 -24.15 25.20 -39.00 -23.45 26.39 -39.65 -23.80 3 0 1000.00 -999 ? >VAL~D 120 32.35 -43.52 -25.12 34.28 -42.59 -25.40 33.31 -43.05 -25.26 3 0 1000.00 -999 ? >VAL~D 121 32.48 -46.63 -22.93 33.14 -46.12 -20.90 32.81 -46.37 -21.92 3 0 1000.00 -999 ? >ALA~D 122 28.76 -47.34 -23.50 27.56 -46.42 -23.22 28.16 -46.88 -23.36 2 0 1000.00 -999 ? >LYS~D 123 29.41 -47.22 -27.25 28.92 -45.75 -32.42 29.17 -46.49 -29.83 2 0 1000.00 -999 ? >ALA~D 124 32.47 -49.47 -26.74 33.67 -49.17 -25.87 33.07 -49.32 -26.30 2 0 1000.00 -999 ? >GLY~D 125 30.11 -52.10 -25.33 30.71 -51.76 -24.84 30.41 -51.93 -25.08 1 0 1000.00 -999 ? >LEU.D 126 33.05 -51.46 -21.59 35.10 -51.78 -22.36 34.07 -51.62 -21.97 3 0 1000.00 -999 ? >LEU.D 127 27.87 -50.73 -19.75 28.80 -48.87 -18.96 28.34 -49.80 -19.36 3 0 1000.00 -999 ? >GLN.D 128 28.93 -57.22 -17.55 27.66 -58.93 -17.21 28.30 -58.08 -17.38 2 0 1000.00 -999 ? >GLN.D 129 26.13 -55.97 -14.36 25.97 -55.47 -12.31 26.05 -55.72 -13.33 2 0 1000.00 -999 ? >ASN.D 130 22.34 -53.39 -19.32 22.90 -54.48 -21.03 22.62 -53.94 -20.18 2 0 1000.00 -999 ? >LYS^D 131 23.49 -49.95 -16.11 22.06 -53.47 -11.15 22.77 -51.71 -13.63 2 0 1000.00 -999 ? >ALA^D 132 25.00 -46.43 -16.16 25.19 -46.06 -17.63 25.10 -46.25 -16.90 2 0 1000.00 -999 ? >VAL.D 133 24.87 -42.91 -14.79 26.18 -43.25 -13.05 25.52 -43.08 -13.92 3 0 1000.00 -999 ? >MET.D 134 24.73 -39.51 -16.48 26.30 -37.81 -18.77 25.52 -38.66 -17.63 2 0 1000.00 -999 ? >HIS~D 135 26.16 -34.65 -16.10 27.31 -34.03 -17.75 26.74 -34.34 -16.93 3 0 1000.00 -999 ? >SER~D 136 20.78 -34.49 -16.11 20.85 -32.52 -14.70 20.81 -33.50 -15.40 2 0 1000.00 -999 ? >PHE~D 138 24.94 -34.43 -22.02 26.29 -32.16 -22.95 25.62 -33.29 -22.48 3 0 1000.00 -999 ? >ALA~D 139 20.71 -38.18 -19.56 20.02 -38.11 -18.19 20.37 -38.15 -18.88 2 0 1000.00 -999 ? >HIS~D 140 15.78 -37.32 -23.25 14.05 -37.97 -24.25 14.92 -37.65 -23.75 3 0 1000.00 -999 ? >LEU~D 141 21.57 -36.88 -25.14 22.35 -36.28 -27.08 21.96 -36.58 -26.11 3 0 1000.00 -999 ? >PHE~D 142 23.32 -42.27 -21.59 24.73 -44.63 -21.13 24.02 -43.45 -21.36 3 0 1000.00 -999 ? >GLY~D 143 18.65 -42.70 -23.11 19.04 -42.39 -23.78 18.85 -42.54 -23.44 1 0 1000.00 -999 ? >GLU~D 144 17.66 -39.66 -26.65 17.25 -37.94 -27.83 17.46 -38.80 -27.24 2 0 1000.00 -999 ? >LEU~D 145 22.85 -42.76 -27.72 23.34 -41.01 -28.89 23.09 -41.88 -28.31 3 0 1000.00 -999 ? >PHE~D 146 24.07 -46.00 -25.30 26.31 -44.81 -26.46 25.19 -45.40 -25.88 3 0 1000.00 -999 ? >PRO.D 147 17.76 -46.84 -27.35 18.56 -47.14 -25.23 18.16 -46.99 -26.29 3 0 1000.00 -999 ? >ILE.D 149 22.27 -48.52 -21.09 23.73 -48.47 -21.01 23.00 -48.50 -21.05 3 0 1000.00 -999 ? >MET^D 150 19.31 -48.67 -17.41 17.89 -50.88 -14.08 18.60 -49.77 -15.74 2 0 1000.00 -999 ? >LEU^D 151 19.92 -43.91 -16.47 21.18 -42.69 -17.80 20.55 -43.30 -17.14 3 0 1000.00 -999 ? >MET.D 152 20.69 -45.24 -12.19 20.47 -48.41 -11.99 20.58 -46.83 -12.09 2 0 1000.00 -999 ? >THR.D 153 19.07 -41.93 -11.39 17.35 -41.02 -12.35 18.21 -41.47 -11.87 2 0 1000.00 -999 ? >GLN.D 155 23.42 -44.72 -7.71 24.04 -46.66 -8.31 23.73 -45.69 -8.01 2 0 1000.00 -999 ? >ALA^D 157 28.97 -42.99 -9.82 30.18 -42.81 -8.92 29.57 -42.90 -9.37 2 0 1000.00 -999 ? >LEU^D 158 27.56 -46.85 -11.59 26.82 -48.38 -12.94 27.19 -47.61 -12.27 3 0 1000.00 -999 ? >ILE^D 159 31.97 -50.00 -9.69 33.20 -49.89 -8.94 32.58 -49.95 -9.32 3 0 1000.00 -999 ? >ASP^D 160 29.78 -52.21 -14.62 29.00 -53.95 -15.67 29.39 -53.08 -15.14 2 0 1000.00 -999 ? >GLY.D 161 33.32 -55.15 -12.98 33.32 -54.29 -12.81 33.32 -54.72 -12.89 1 0 1000.00 -999 ? >ASN.D 162 37.60 -53.90 -14.60 39.15 -54.47 -13.25 38.38 -54.19 -13.93 2 0 1000.00 -999 ? >VAL^D 163 34.52 -50.25 -15.42 33.63 -50.24 -17.37 34.08 -50.25 -16.40 3 0 1000.00 -999 ? >TYR^D 164 35.88 -47.82 -11.65 37.24 -49.85 -10.30 36.56 -48.84 -10.97 3 0 1000.00 -999 ? >LEU^D 165 30.25 -44.73 -14.75 29.90 -45.93 -16.49 30.08 -45.33 -15.62 3 0 1000.00 -999 ? >SER^D 166 31.47 -40.90 -12.77 32.47 -39.53 -11.03 31.97 -40.21 -11.90 2 0 1000.00 -999 ? >SER.D 167 28.94 -38.17 -13.85 26.87 -39.25 -13.31 27.90 -38.71 -13.58 2 0 1000.00 -999 ? >GLY.D 168 30.69 -35.06 -12.44 29.90 -35.13 -12.69 30.29 -35.10 -12.56 1 0 1000.00 -999 ? >PRO.D 169 30.17 -30.87 -14.73 30.80 -32.98 -14.15 30.49 -31.92 -14.44 3 0 1000.00 -999 ? >TYR.D 170 34.16 -29.78 -12.81 34.31 -28.36 -15.22 34.24 -29.07 -14.01 3 0 1000.00 -999 ? >SER.D 171 33.43 -34.01 -8.77 32.64 -34.16 -6.54 33.04 -34.08 -7.66 2 0 1000.00 -999 ? >HIS~D 172 35.18 -37.03 -11.56 34.16 -36.14 -13.16 34.67 -36.59 -12.36 3 0 1000.00 -999 ? >SER~D 173 36.01 -38.18 -5.52 36.11 -36.18 -4.21 36.06 -37.18 -4.86 2 0 1000.00 -999 ? >SER~D 174 34.03 -41.31 -5.04 32.19 -42.29 -6.19 33.11 -41.80 -5.62 2 0 1000.00 -999 ? >VAL~D 175 35.53 -43.19 -8.00 34.95 -43.69 -10.04 35.24 -43.44 -9.02 3 0 1000.00 -999 ? >MET~D 176 39.11 -41.90 -7.69 40.09 -40.92 -10.74 39.60 -41.41 -9.22 2 0 1000.00 -999 ? >LEU~D 177 38.32 -41.98 -2.93 39.11 -40.26 -1.84 38.71 -41.12 -2.38 3 0 1000.00 -999 ? >GLU~D 178 35.39 -46.82 -4.57 35.35 -48.83 -3.90 35.37 -47.82 -4.23 2 0 1000.00 -999 ? >ILE~D 179 40.87 -46.13 -8.38 40.83 -46.03 -9.62 40.85 -46.08 -9.00 3 0 1000.00 -999 ? >VAL~D 180 43.16 -45.33 -4.52 43.77 -43.41 -3.75 43.46 -44.37 -4.13 3 0 1000.00 -999 ? >GLU~D 181 40.62 -48.79 -0.04 38.76 -48.97 0.99 39.69 -48.88 0.47 2 0 1000.00 -999 ? >GLU~D 182 40.01 -50.89 -5.51 39.17 -51.62 -7.26 39.59 -51.26 -6.38 2 0 1000.00 -999 ? >TYR~D 183 45.82 -49.64 -7.61 45.07 -50.73 -10.11 45.45 -50.18 -8.86 3 0 1000.00 -999 ? >PHE~D 184 48.10 -46.53 -3.48 49.30 -45.88 -5.93 48.70 -46.20 -4.70 3 0 1000.00 -999 ? >GLY~D 185 44.74 -49.42 0.82 44.67 -48.65 0.53 44.71 -49.04 0.68 1 0 1000.00 -999 ? >LYS~D 186 42.49 -47.66 3.30 38.01 -46.18 4.70 40.25 -46.92 4.00 2 0 1000.00 -999 ? >HIS~D 187 46.03 -46.04 7.13 45.56 -46.46 9.14 45.79 -46.25 8.14 3 0 1000.00 -999 ? >THR~D 188 46.08 -43.85 1.62 47.67 -44.46 0.27 46.88 -44.15 0.94 2 0 1000.00 -999 ? >ARG~D 189 38.90 -44.87 1.02 36.39 -44.81 -0.78 37.65 -44.84 0.12 2 0 1000.00 -999 ? >ASN~D 190 41.64 -42.38 5.42 40.24 -43.97 5.87 40.94 -43.18 5.65 2 0 1000.00 -999 ? >LEU~D 191 45.98 -39.87 3.38 47.59 -40.18 4.98 46.79 -40.03 4.18 3 0 1000.00 -999 ? >GLY~D 192 43.26 -38.86 -0.03 42.88 -38.78 0.73 43.07 -38.82 0.35 1 0 1000.00 -999 ? >ASN~D 193 39.03 -39.23 2.12 37.13 -38.57 2.75 38.08 -38.90 2.43 2 0 1000.00 -999 ? >GLN~D 194 42.45 -35.13 6.12 40.70 -35.29 7.34 41.58 -35.21 6.73 2 0 1000.00 -999 ? >PHE~D 195 44.68 -33.88 -1.05 45.17 -32.50 -3.48 44.92 -33.19 -2.27 3 0 1000.00 -999 ? >LEU~D 196 39.46 -34.50 -1.32 39.73 -35.28 -3.38 39.60 -34.89 -2.35 3 0 1000.00 -999 ? >SER.D 197 38.50 -31.93 2.49 39.93 -29.99 3.05 39.21 -30.96 2.77 2 0 1000.00 -999 ? >ASN.E 8 23.64 17.61 45.66 24.08 18.23 47.66 23.86 17.92 46.66 2 0 1000.00 -999 ? >LEU^E 9 24.15 14.01 41.31 25.97 14.03 40.15 25.06 14.02 40.73 3 0 1000.00 -999 ? >ARG^E 10 16.62 17.60 41.39 16.20 19.98 43.34 16.41 18.79 42.36 2 0 1000.00 -999 ? >VAL^E 11 17.70 12.76 38.89 18.50 10.86 38.06 18.10 11.81 38.47 3 0 1000.00 -999 ? >VAL^E 12 14.04 13.29 38.26 12.91 15.12 38.78 13.47 14.20 38.52 3 0 1000.00 -999 ? >ALA^E 13 12.19 10.43 36.45 12.64 9.02 36.88 12.42 9.72 36.67 2 0 1000.00 -999 ? >LEU^E 14 8.52 12.21 33.93 6.56 13.13 33.52 7.54 12.67 33.73 3 0 1000.00 -999 ? >ALA.E 15 6.59 8.07 34.77 6.62 7.04 35.95 6.60 7.55 35.36 2 0 1000.00 -999 ? >PRO.E 16 5.44 9.48 30.95 4.34 8.62 32.74 4.89 9.05 31.84 3 0 1000.00 -999 ? >THR.E 17 1.83 5.46 32.72 1.50 4.23 30.92 1.67 4.85 31.82 2 0 1000.00 -999 ? >GLY.E 18 1.41 2.63 35.28 1.30 2.60 34.45 1.36 2.62 34.87 1 0 1000.00 -999 ? >ARG.E 19 -2.16 -0.09 31.61 -2.65 -1.77 34.12 -2.41 -0.93 32.86 2 0 1000.00 -999 ? >TYR.E 20 4.06 -0.21 29.09 2.57 -2.18 27.65 3.31 -1.19 28.37 3 0 1000.00 -999 ? >PHE~E 21 5.73 1.74 36.60 5.17 -0.01 38.79 5.45 0.87 37.69 3 0 1000.00 -999 ? >ALA~E 22 9.19 -0.86 34.98 9.10 -2.30 34.60 9.14 -1.58 34.79 2 0 1000.00 -999 ? >SER~E 23 11.86 0.74 32.75 10.74 1.83 30.83 11.30 1.28 31.79 2 0 1000.00 -999 ? >ILE~E 24 10.69 4.78 35.23 11.17 6.16 35.12 10.93 5.47 35.17 3 0 1000.00 -999 ? >ILE~E 25 11.30 0.77 38.60 10.83 1.51 39.76 11.06 1.14 39.18 3 0 1000.00 -999 ? >SER~E 26 15.17 -0.24 36.55 14.85 -0.60 34.17 15.01 -0.42 35.36 2 0 1000.00 -999 ? >SER~E 27 16.92 2.95 35.42 15.92 3.50 33.28 16.42 3.23 34.35 2 0 1000.00 -999 ? >LEU~E 28 15.63 4.78 39.79 14.72 6.77 39.30 15.17 5.77 39.54 3 0 1000.00 -999 ? >GLU~E 29 15.95 -0.59 40.98 14.85 -2.41 40.56 15.40 -1.50 40.77 2 0 1000.00 -999 ? >ILE~E 30 20.96 0.84 36.47 21.19 0.26 35.22 21.08 0.55 35.84 3 0 1000.00 -999 ? >LEU~E 31 21.17 5.85 38.22 21.23 6.68 36.20 21.20 6.27 37.21 3 0 1000.00 -999 ? >GLU~E 32 19.27 5.38 43.23 17.79 5.48 44.70 18.53 5.43 43.96 2 0 1000.00 -999 ? >THR~E 33 23.45 1.20 42.63 23.01 -0.88 42.37 23.23 0.16 42.50 2 0 1000.00 -999 ? >ALA~E 34 26.27 2.89 40.66 26.18 3.44 39.23 26.23 3.17 39.94 2 0 1000.00 -999 ? >ALA~E 35 26.14 5.91 43.02 24.97 6.83 43.24 25.55 6.37 43.13 2 0 1000.00 -999 ? >GLU~E 36 24.69 1.68 46.09 22.64 1.20 46.66 23.66 1.44 46.38 2 0 1000.00 -999 ? >ALA~E 38 31.04 4.88 43.91 30.68 5.83 42.76 30.86 5.35 43.34 2 0 1000.00 -999 ? >GLU.E 39 32.01 4.21 48.16 33.54 3.78 49.55 32.78 4.00 48.86 2 0 1000.00 -999 ? >PHE.E 40 28.36 10.50 43.99 28.42 13.01 42.76 28.39 11.75 43.37 3 0 1000.00 -999 ? >GLN.E 41 28.32 11.57 50.61 30.18 10.99 49.71 29.25 11.28 50.16 2 0 1000.00 -999 ? >GLY.E 42 24.91 13.47 47.56 24.88 12.77 47.15 24.89 13.12 47.36 1 0 1000.00 -999 ? >PHE^E 43 22.92 9.73 43.12 21.84 8.99 40.65 22.38 9.36 41.88 3 0 1000.00 -999 ? >MET^E 44 19.17 11.69 44.90 18.08 12.09 48.24 18.63 11.89 46.57 2 0 1000.00 -999 ? >THR^E 45 16.56 10.40 42.44 17.11 8.31 42.17 16.83 9.36 42.31 2 0 1000.00 -999 ? >HIS^E 46 13.51 13.40 43.38 14.68 14.32 44.86 14.09 13.86 44.12 3 0 1000.00 -999 ? >VAL^E 47 9.88 9.58 40.66 9.31 7.52 40.37 9.59 8.55 40.51 3 0 1000.00 -999 ? >VAL^E 48 7.19 11.99 39.53 8.43 13.79 39.20 7.81 12.89 39.36 3 0 1000.00 -999 ? >THR.E 49 3.85 11.43 37.75 2.71 10.26 39.17 3.28 10.85 38.46 2 0 1000.00 -999 ? >PRO.E 50 2.30 11.95 33.74 2.35 13.14 35.61 2.32 12.54 34.68 3 0 1000.00 -999 ? >ASN.E 51 -2.09 14.11 37.29 -2.32 12.02 37.76 -2.21 13.06 37.52 2 0 1000.00 -999 ? >ASN.E 52 1.26 15.31 41.52 2.53 16.64 40.45 1.89 15.97 40.99 2 0 1000.00 -999 ? >PRO.E 54 -1.63 7.66 44.37 -0.66 8.06 42.33 -1.15 7.86 43.35 3 0 1000.00 -999 ? >LEU^E 55 1.64 4.90 38.58 2.75 5.86 37.04 2.20 5.38 37.81 3 0 1000.00 -999 ? >ILE^E 56 -3.40 2.25 38.57 -3.89 2.11 39.79 -3.65 2.18 39.18 3 0 1000.00 -999 ? >GLY^E 57 0.63 -0.52 38.06 -0.17 -0.71 38.28 0.23 -0.62 38.17 1 0 1000.00 -999 ? >ARG.E 58 1.23 -4.40 33.25 -0.23 -3.82 30.54 0.50 -4.11 31.90 2 0 1000.00 -999 ? >GLY.E 59 -0.70 -6.78 39.48 -1.07 -6.07 39.48 -0.89 -6.43 39.48 1 0 1000.00 -999 ? >GLY.E 60 -3.12 -4.72 41.49 -2.31 -4.56 41.44 -2.71 -4.64 41.47 1 0 1000.00 -999 ? >ILE^E 61 0.89 -2.32 42.76 2.12 -3.03 42.11 1.51 -2.67 42.43 3 0 1000.00 -999 ? >SER^E 62 -0.54 1.62 43.27 -1.82 2.31 45.26 -1.18 1.97 44.27 2 0 1000.00 -999 ? >VAL^E 63 2.69 3.52 43.20 4.30 2.78 41.89 3.50 3.15 42.54 3 0 1000.00 -999 ? >GLN^E 64 2.14 7.94 47.56 0.49 9.18 46.95 1.31 8.56 47.26 2 0 1000.00 -999 ? >PRO.E 65 3.50 10.33 42.96 4.50 9.00 44.51 4.00 9.66 43.73 3 0 1000.00 -999 ? >THR.E 66 6.31 11.77 47.24 7.31 10.26 48.49 6.81 11.01 47.86 2 0 1000.00 -999 ? >ALA.E 67 7.19 14.92 45.27 8.68 15.07 44.87 7.93 14.99 45.07 2 0 1000.00 -999 ? >GLN~E 68 3.33 17.92 43.96 2.23 19.74 44.28 2.78 18.83 44.12 2 0 1000.00 -999 ? >TRP~E 69 4.16 16.91 37.37 4.43 20.39 35.51 4.30 18.65 36.44 3 0 1000.00 -999 ? >GLN~E 70 3.95 21.86 38.97 2.68 20.14 39.06 3.32 21.00 39.02 2 0 1000.00 -999 ? >SER~E 71 8.65 21.44 42.68 8.91 19.34 43.90 8.78 20.39 43.29 2 0 1000.00 -999 ? >PHE~E 72 11.92 18.30 40.96 11.64 16.31 42.94 11.78 17.30 41.95 3 0 1000.00 -999 ? >ASP.E 73 13.57 25.17 40.02 11.94 26.24 40.69 12.75 25.71 40.36 2 0 1000.00 -999 ? >PHE.E 74 18.03 22.69 39.81 18.83 21.98 42.40 18.43 22.34 41.10 3 0 1000.00 -999 ? >THR.E 75 17.89 18.75 37.73 16.79 17.02 36.92 17.34 17.89 37.32 2 0 1000.00 -999 ? >ASN.E 76 22.07 16.40 37.32 23.05 17.68 38.74 22.56 17.04 38.03 2 0 1000.00 -999 ? >ILE^E 77 19.76 13.07 34.81 20.54 11.98 34.57 20.15 12.53 34.69 3 0 1000.00 -999 ? >LEU^E 78 14.70 15.28 33.12 12.50 15.59 33.13 13.60 15.44 33.12 3 0 1000.00 -999 ? >ILE^E 79 14.64 9.35 33.34 15.51 8.09 33.52 15.07 8.72 33.43 3 0 1000.00 -999 ? >ILE^E 80 10.83 11.34 29.40 10.33 12.52 28.75 10.58 11.93 29.08 3 0 1000.00 -999 ? >GLY.E 81 9.60 6.93 30.62 9.23 7.54 30.22 9.41 7.23 30.42 1 0 1000.00 -999 ? >SER.E 82 7.24 5.13 28.30 6.03 3.27 27.41 6.64 4.20 27.86 2 0 1000.00 -999 ? >ILE.E 83 3.70 8.06 26.69 4.15 9.25 25.83 3.92 8.66 26.26 3 0 1000.00 -999 ? >GLY.E 84 2.63 3.32 26.34 2.88 4.03 25.90 2.75 3.67 26.12 1 0 1000.00 -999 ? >ASP~E 85 -0.77 3.16 22.89 -1.61 3.69 20.99 -1.19 3.42 21.94 2 0 1000.00 -999 ? >PRO~E 86 3.46 6.52 21.29 1.34 6.65 21.98 2.40 6.59 21.63 3 0 1000.00 -999 ? >LEU~E 87 -2.32 6.17 18.81 -3.67 6.42 17.09 -3.00 6.29 17.95 3 0 1000.00 -999 ? >GLU~E 88 -4.68 6.34 25.15 -6.64 7.24 25.08 -5.66 6.79 25.11 2 0 1000.00 -999 ? >SER~E 89 -1.47 9.22 25.45 0.65 8.10 25.42 -0.41 8.66 25.43 2 0 1000.00 -999 ? >LEU~E 90 1.32 11.66 22.22 3.17 12.71 21.64 2.24 12.18 21.93 3 0 1000.00 -999 ? >ASP~E 91 -3.02 14.52 21.94 -2.08 14.91 20.06 -2.55 14.72 21.00 2 0 1000.00 -999 ? >LYS~E 92 -3.39 13.93 26.61 -7.98 9.56 26.18 -5.69 11.74 26.40 2 0 1000.00 -999 ? >ILE~E 93 1.30 14.64 27.83 2.62 13.95 27.90 1.96 14.30 27.87 3 0 1000.00 -999 ? >ASP~E 94 -0.16 18.35 31.67 -0.45 20.27 32.51 -0.30 19.31 32.09 2 0 1000.00 -999 ? >PRO~E 95 -1.30 21.42 27.43 0.60 20.52 28.27 -0.35 20.97 27.85 3 0 1000.00 -999 ? >ALA~E 96 2.69 22.45 31.01 2.04 22.92 32.33 2.36 22.69 31.67 2 0 1000.00 -999 ? >LEU~E 97 4.42 17.89 31.29 4.21 16.62 33.03 4.31 17.26 32.16 3 0 1000.00 -999 ? >PHE~E 98 5.07 18.89 25.89 3.85 16.52 25.08 4.46 17.70 25.49 3 0 1000.00 -999 ? >ASP~E 99 6.19 24.58 29.71 4.89 25.50 28.36 5.54 25.04 29.03 2 0 1000.00 -999 ? >TRP~E 100 9.37 21.33 35.32 9.60 17.41 35.50 9.48 19.37 35.41 3 0 1000.00 -999 ? >ILE~E 101 10.39 18.56 28.97 10.12 17.23 28.46 10.26 17.89 28.72 3 0 1000.00 -999 ? >ARG~E 102 10.13 23.78 24.47 7.11 23.14 24.55 8.62 23.46 24.51 2 0 1000.00 -999 ? >GLU~E 103 11.02 26.27 30.98 9.43 26.88 32.23 10.22 26.58 31.60 2 0 1000.00 -999 ? >LEU~E 104 14.67 20.71 32.88 13.72 20.38 34.81 14.19 20.55 33.84 3 0 1000.00 -999 ? >HIS~E 105 17.01 20.71 26.52 18.32 20.65 24.88 17.67 20.68 25.70 3 0 1000.00 -999 ? >LEU~E 106 16.45 26.11 28.35 15.62 26.56 26.29 16.04 26.34 27.32 3 0 1000.00 -999 ? >LYS~E 107 19.08 25.14 31.94 14.62 27.14 36.08 16.85 26.14 34.01 2 0 1000.00 -999 ? >GLY.E 108 21.39 22.33 30.99 20.70 22.08 31.22 21.05 22.20 31.11 1 0 1000.00 -999 ? >SER.E 109 19.71 19.12 32.24 17.94 19.77 33.79 18.83 19.44 33.02 2 0 1000.00 -999 ? >LYS^E 110 20.47 15.82 30.44 25.42 15.98 30.53 22.94 15.90 30.48 2 0 1000.00 -999 ? >ILE^E 111 16.37 15.47 28.11 15.48 16.13 28.98 15.93 15.80 28.54 3 0 1000.00 -999 ? >VAL^E 112 16.90 10.79 28.68 18.30 9.54 29.80 17.60 10.17 29.24 3 0 1000.00 -999 ? >ALA^E 113 13.87 9.41 26.85 13.38 10.24 25.62 13.63 9.83 26.23 2 0 1000.00 -999 ? >ILE^E 114 13.41 5.00 28.24 13.78 5.01 29.75 13.60 5.00 29.00 3 0 1000.00 -999 ? >ASP.E 115 9.98 2.77 25.79 8.35 1.69 24.83 9.16 2.23 25.31 2 0 1000.00 -999 ? >THR~E 116 7.80 5.80 23.64 6.00 4.53 23.58 6.90 5.17 23.61 2 0 1000.00 -999 ? >GLY~E 117 8.99 8.65 25.92 9.20 8.34 25.14 9.09 8.50 25.53 1 0 1000.00 -999 ? >ILE~E 118 11.65 8.31 21.79 12.68 7.65 21.12 12.17 7.98 21.46 3 0 1000.00 -999 ? >PHE~E 119 6.19 9.01 20.20 5.82 7.06 18.17 6.01 8.04 19.18 3 0 1000.00 -999 ? >VAL~E 120 7.57 13.28 24.16 7.04 13.08 26.30 7.31 13.18 25.23 3 0 1000.00 -999 ? >VAL~E 121 11.05 14.77 23.51 12.69 13.47 24.19 11.87 14.12 23.85 3 0 1000.00 -999 ? >ALA~E 122 10.36 14.79 19.75 9.99 13.59 18.83 10.18 14.19 19.29 2 0 1000.00 -999 ? >LYS~E 123 7.11 16.75 20.35 1.10 16.68 22.60 4.11 16.71 21.47 2 0 1000.00 -999 ? >ALA~E 124 8.93 19.00 22.83 9.55 18.57 24.15 9.24 18.78 23.49 2 0 1000.00 -999 ? >GLY~E 125 11.31 20.16 20.01 11.60 19.72 20.65 11.45 19.94 20.33 1 0 1000.00 -999 ? >LEU.E 126 14.51 18.09 23.03 13.87 19.00 24.94 14.19 18.55 23.98 3 0 1000.00 -999 ? >LEU.E 127 15.28 15.69 18.11 14.97 13.82 19.33 15.13 14.76 18.72 3 0 1000.00 -999 ? >GLN.E 128 18.32 21.31 19.27 19.59 22.23 20.77 18.95 21.77 20.02 2 0 1000.00 -999 ? >GLN.E 129 22.13 17.37 15.64 23.88 16.31 16.22 23.01 16.84 15.93 2 0 1000.00 -999 ? >ASN.E 130 16.10 16.70 12.25 14.97 18.45 12.61 15.54 17.57 12.43 2 0 1000.00 -999 ? >LYS^E 131 17.37 12.39 14.02 23.10 11.61 13.13 20.24 12.00 13.58 2 0 1000.00 -999 ? >ALA^E 132 15.66 9.77 16.20 14.18 10.13 16.39 14.92 9.95 16.30 2 0 1000.00 -999 ? >VAL.E 133 15.40 6.03 16.84 17.16 5.66 18.14 16.28 5.85 17.49 3 0 1000.00 -999 ? >MET.E 134 12.22 3.99 17.42 9.42 4.26 19.15 10.82 4.13 18.28 2 0 1000.00 -999 ? >HIS~E 135 10.28 -0.06 19.77 10.88 0.04 21.78 10.58 -0.01 20.77 3 0 1000.00 -999 ? >SER~E 136 9.94 -0.76 13.99 9.97 -3.16 14.05 9.95 -1.96 14.02 2 0 1000.00 -999 ? >TYR~E 137 6.42 -2.30 17.39 7.59 -2.34 19.93 7.00 -2.32 18.66 3 0 1000.00 -999 ? >PHE~E 138 5.11 2.49 18.57 3.04 1.71 20.31 4.07 2.10 19.44 3 0 1000.00 -999 ? >ALA~E 139 8.24 3.74 13.34 9.22 2.93 12.47 8.73 3.34 12.91 2 0 1000.00 -999 ? >HIS~E 140 3.31 4.17 9.53 1.65 4.94 8.51 2.48 4.55 9.02 3 0 1000.00 -999 ? >LEU~E 141 2.85 5.82 15.02 1.33 6.73 16.28 2.09 6.27 15.65 3 0 1000.00 -999 ? >PHE~E 142 8.73 8.83 15.57 10.51 10.77 16.52 9.62 9.80 16.05 3 0 1000.00 -999 ? >GLY~E 143 6.96 9.31 10.96 6.28 9.38 11.39 6.62 9.34 11.17 1 0 1000.00 -999 ? >GLU~E 144 2.05 8.53 9.89 1.75 9.19 7.93 1.90 8.86 8.91 2 0 1000.00 -999 ? >LEU~E 145 3.55 12.20 15.16 1.76 11.53 16.22 2.66 11.87 15.69 3 0 1000.00 -999 ? >PHE~E 146 7.36 13.66 15.57 6.12 13.65 18.11 6.74 13.66 16.84 3 0 1000.00 -999 ? >PRO.E 147 5.59 15.35 9.23 7.42 14.15 9.91 6.51 14.75 9.57 3 0 1000.00 -999 ? >GLU.E 148 10.44 17.83 11.76 8.57 17.18 12.59 9.51 17.50 12.18 2 0 1000.00 -999 ? >ILE.E 149 12.32 13.68 13.34 12.31 13.91 14.65 12.32 13.80 14.00 3 0 1000.00 -999 ? >MET^E 150 14.74 11.20 10.19 17.72 10.35 7.22 16.23 10.77 8.70 2 0 1000.00 -999 ? >LEU^E 151 13.29 6.85 11.85 11.93 6.68 13.49 12.61 6.76 12.67 3 0 1000.00 -999 ? >MET.E 152 17.61 5.70 12.05 20.05 7.90 11.24 18.83 6.80 11.64 2 0 1000.00 -999 ? >THR.E 153 16.96 2.05 11.29 16.21 1.22 9.43 16.58 1.63 10.36 2 0 1000.00 -999 ? >GLU.E 154 19.26 -2.75 11.60 18.24 -2.18 9.88 18.75 -2.47 10.74 2 0 1000.00 -999 ? >GLN.E 155 21.13 3.69 16.30 21.88 5.48 15.37 21.50 4.58 15.84 2 0 1000.00 -999 ? >LYS.E 156 18.45 1.31 19.43 15.86 -3.22 22.07 17.15 -0.96 20.75 2 0 1000.00 -999 ? >ALA^E 157 20.07 4.35 21.07 20.93 4.02 22.32 20.50 4.19 21.70 2 0 1000.00 -999 ? >LEU^E 158 20.18 8.24 18.77 19.74 10.12 17.68 19.96 9.18 18.22 3 0 1000.00 -999 ? >ILE^E 159 23.82 10.86 22.37 24.62 10.75 23.55 24.22 10.81 22.96 3 0 1000.00 -999 ? >ASP^E 160 20.38 14.69 19.64 20.30 16.51 18.57 20.34 15.60 19.11 2 0 1000.00 -999 ? >GLY.E 161 23.63 17.03 22.38 23.38 16.26 22.64 23.51 16.65 22.51 1 0 1000.00 -999 ? >ASN.E 162 21.92 17.92 26.80 23.67 19.14 27.11 22.80 18.53 26.95 2 0 1000.00 -999 ? >VAL^E 163 19.30 14.41 24.82 17.48 15.16 23.89 18.39 14.79 24.35 3 0 1000.00 -999 ? >TYR^E 164 21.60 10.77 26.71 23.91 12.00 27.66 22.76 11.38 27.19 3 0 1000.00 -999 ? >LEU^E 165 16.83 8.55 21.89 15.92 10.37 21.06 16.38 9.46 21.47 3 0 1000.00 -999 ? >SER^E 166 16.88 4.59 24.12 17.88 2.84 25.56 17.38 3.71 24.84 2 0 1000.00 -999 ? >SER.E 167 14.05 2.42 22.56 14.37 2.89 20.27 14.21 2.66 21.42 2 0 1000.00 -999 ? >GLY.E 168 14.38 -0.60 24.92 14.12 -0.61 24.10 14.25 -0.60 24.51 1 0 1000.00 -999 ? >PRO.E 169 10.19 -3.04 25.08 11.98 -1.60 25.32 11.08 -2.32 25.20 3 0 1000.00 -999 ? >TYR.E 170 11.54 -4.07 29.34 8.81 -3.86 29.56 10.18 -3.97 29.45 3 0 1000.00 -999 ? >SER.E 171 17.18 -2.90 27.76 18.96 -4.20 26.88 18.07 -3.55 27.32 2 0 1000.00 -999 ? >HIS~E 172 16.33 1.41 28.63 14.45 1.25 27.70 15.39 1.33 28.16 3 0 1000.00 -999 ? >SER~E 173 22.31 -0.51 29.33 22.62 -2.90 29.47 22.46 -1.70 29.40 2 0 1000.00 -999 ? >SER~E 174 24.21 1.50 26.85 23.59 2.20 24.62 23.90 1.85 25.73 2 0 1000.00 -999 ? >VAL~E 175 22.56 4.81 27.71 20.98 6.11 26.94 21.77 5.46 27.33 3 0 1000.00 -999 ? >MET~E 176 22.55 4.16 31.48 19.78 4.81 33.05 21.16 4.48 32.26 2 0 1000.00 -999 ? >LEU~E 177 26.79 1.83 30.68 26.78 -0.07 31.84 26.78 0.88 31.26 3 0 1000.00 -999 ? >GLU~E 178 26.85 6.38 26.81 28.89 6.90 26.54 27.87 6.64 26.68 2 0 1000.00 -999 ? >ILE~E 179 23.97 8.28 32.67 23.50 9.51 32.31 23.74 8.90 32.49 3 0 1000.00 -999 ? >VAL~E 180 27.24 6.32 34.82 27.08 4.32 35.73 27.16 5.32 35.28 3 0 1000.00 -999 ? >GLU~E 181 32.57 6.24 31.71 33.20 5.76 29.72 32.89 6.00 30.72 2 0 1000.00 -999 ? >GLU~E 182 28.71 12.64 32.41 28.17 13.87 30.83 28.44 13.25 31.62 2 0 1000.00 -999 ? >TYR~E 183 26.70 12.34 36.07 25.23 14.38 34.87 25.96 13.36 35.47 3 0 1000.00 -999 ? >PHE~E 184 28.61 7.85 39.31 26.01 8.63 40.02 27.31 8.24 39.66 3 0 1000.00 -999 ? >GLY~E 185 33.86 7.65 36.02 33.23 7.16 36.00 33.54 7.41 36.01 1 0 1000.00 -999 ? >HIS~E 187 36.54 1.98 39.24 36.53 0.59 40.81 36.53 1.28 40.03 3 0 1000.00 -999 ? >THR~E 188 32.37 2.26 38.17 31.18 3.32 39.59 31.78 2.79 38.88 2 0 1000.00 -999 ? >ARG~E 189 31.39 2.43 30.99 29.64 2.62 28.46 30.51 2.53 29.72 2 0 1000.00 -999 ? >ASN~E 190 34.84 -1.13 34.13 35.91 -0.26 32.48 35.37 -0.69 33.30 2 0 1000.00 -999 ? >LEU~E 191 31.79 -1.95 38.59 33.59 -1.59 39.80 32.69 -1.77 39.19 3 0 1000.00 -999 ? >GLY~E 192 28.19 -2.16 36.00 28.87 -2.38 35.57 28.53 -2.27 35.78 1 0 1000.00 -999 ? >ASN~E 193 30.37 -2.44 31.62 29.82 -2.41 29.53 30.09 -2.42 30.58 2 0 1000.00 -999 ? >LEU~E 196 24.47 -4.17 32.76 23.20 -3.00 34.02 23.84 -3.59 33.39 3 0 1000.00 -999 ? >SER.E 197 26.62 -7.89 30.38 25.19 -9.66 29.46 25.90 -8.77 29.92 2 0 1000.00 -999 ? >ASN.F 8 -9.59 -17.93 34.68 -11.37 -16.77 34.24 -10.48 -17.35 34.46 2 0 1000.00 -999 ? >LEU^F 9 -4.09 -17.73 33.13 -3.42 -19.33 31.79 -3.75 -18.53 32.46 3 0 1000.00 -999 ? >ARG^F 10 -4.09 -16.74 41.31 -6.64 -17.57 42.83 -5.36 -17.16 42.07 2 0 1000.00 -999 ? >VAL^F 11 0.01 -15.11 38.05 1.42 -14.51 36.41 0.72 -14.81 37.23 3 0 1000.00 -999 ? >VAL^F 12 1.20 -14.26 41.58 0.30 -14.89 43.48 0.75 -14.57 42.53 3 0 1000.00 -999 ? >ALA^F 13 4.42 -12.24 41.74 4.58 -11.20 40.63 4.50 -11.72 41.19 2 0 1000.00 -999 ? >LEU^F 14 6.66 -13.42 45.76 7.14 -13.74 47.92 6.90 -13.58 46.84 3 0 1000.00 -999 ? >ALA.F 15 8.47 -8.99 45.33 7.84 -7.69 44.88 8.16 -8.34 45.10 2 0 1000.00 -999 ? >PRO.F 16 11.47 -11.43 47.26 10.48 -9.42 47.63 10.98 -10.42 47.45 3 0 1000.00 -999 ? >THR~F 17 12.38 -5.94 48.25 14.58 -5.69 48.09 13.48 -5.82 48.17 2 0 1000.00 -999 ? >GLY~F 18 11.79 -2.38 47.03 12.45 -2.76 47.13 12.12 -2.57 47.08 1 0 1000.00 -999 ? >ARG~F 19 17.07 -0.69 48.81 15.70 2.03 48.28 16.38 0.67 48.54 2 0 1000.00 -999 ? >TYR~F 20 17.68 -4.63 43.48 20.13 -3.30 43.94 18.90 -3.97 43.71 3 0 1000.00 -999 ? >PHE~F 21 9.85 -2.99 42.83 8.78 -0.46 42.31 9.32 -1.72 42.57 3 0 1000.00 -999 ? >ALA~F 22 11.73 -3.43 38.56 12.86 -2.62 37.99 12.29 -3.03 38.27 2 0 1000.00 -999 ? >SER~F 23 12.28 -6.90 37.10 13.69 -8.27 38.54 12.99 -7.59 37.82 2 0 1000.00 -999 ? >ILE~F 24 8.62 -8.05 40.24 7.77 -9.29 40.56 8.19 -8.67 40.40 3 0 1000.00 -999 ? >ILE~F 25 7.27 -3.76 37.41 6.13 -3.40 38.15 6.70 -3.58 37.78 3 0 1000.00 -999 ? >SER~F 26 8.68 -5.82 33.72 11.00 -6.66 33.89 9.84 -6.24 33.80 2 0 1000.00 -999 ? >SER~F 27 7.83 -9.54 33.92 9.72 -10.60 35.04 8.77 -10.07 34.48 2 0 1000.00 -999 ? >LEU~F 28 3.52 -7.95 35.75 2.91 -9.17 37.48 3.21 -8.56 36.62 3 0 1000.00 -999 ? >GLU~F 29 4.89 -3.73 32.66 6.23 -2.10 32.77 5.56 -2.92 32.72 2 0 1000.00 -999 ? >ILE~F 30 6.98 -9.33 29.39 8.27 -9.71 29.00 7.62 -9.52 29.19 3 0 1000.00 -999 ? >LEU~F 31 3.09 -12.22 31.61 4.45 -13.87 32.10 3.77 -13.04 31.86 3 0 1000.00 -999 ? >GLU~F 32 -0.62 -8.53 32.72 -1.60 -7.08 33.92 -1.11 -7.81 33.32 2 0 1000.00 -999 ? >THR~F 33 1.08 -7.59 26.97 2.41 -6.01 26.28 1.74 -6.80 26.62 2 0 1000.00 -999 ? >ALA~F 34 1.31 -11.15 25.65 2.28 -12.31 26.23 1.80 -11.73 25.94 2 0 1000.00 -999 ? >ALA~F 35 -2.17 -12.02 27.01 -2.60 -11.95 28.48 -2.39 -11.99 27.74 2 0 1000.00 -999 ? >GLU~F 36 -3.30 -6.95 26.87 -2.13 -5.27 27.67 -2.72 -6.11 27.27 2 0 1000.00 -999 ? >PHE~F 37 0.65 -9.37 21.63 2.47 -7.28 21.63 1.56 -8.33 21.63 3 0 1000.00 -999 ? >ALA~F 38 -3.43 -13.39 22.42 -3.03 -14.39 23.58 -3.23 -13.89 23.00 2 0 1000.00 -999 ? >GLU.F 39 -7.05 -10.74 20.68 -8.01 -10.75 18.81 -7.53 -10.74 19.74 2 0 1000.00 -999 ? >PHE.F 40 -6.28 -15.40 27.85 -6.86 -17.10 29.96 -6.57 -16.25 28.90 3 0 1000.00 -999 ? >GLY.F 42 -9.13 -14.15 31.85 -8.45 -13.97 31.49 -8.79 -14.06 31.67 1 0 1000.00 -999 ? >PHE^F 43 -3.14 -13.18 31.88 -0.46 -13.73 32.33 -1.80 -13.45 32.10 3 0 1000.00 -999 ? >MET^F 44 -5.15 -11.89 36.24 -8.82 -12.84 38.00 -6.99 -12.36 37.12 2 0 1000.00 -999 ? >THR^F 45 -1.91 -10.94 37.99 -0.76 -9.99 36.38 -1.34 -10.47 37.19 2 0 1000.00 -999 ? >HIS^F 46 -3.24 -11.44 42.01 -5.21 -11.80 41.41 -4.22 -11.62 41.71 3 0 1000.00 -999 ? >VAL^F 47 1.91 -8.54 43.21 3.26 -6.89 42.70 2.59 -7.72 42.96 3 0 1000.00 -999 ? >VAL^F 48 2.42 -9.68 46.83 1.58 -11.74 46.71 2.00 -10.71 46.77 3 0 1000.00 -999 ? >THR.F 49 5.22 -8.96 49.41 4.89 -6.88 49.82 5.06 -7.92 49.61 2 0 1000.00 -999 ? >PRO.F 50 8.72 -10.99 50.95 6.56 -10.85 51.54 7.64 -10.92 51.24 3 0 1000.00 -999 ? >ASN.F 51 6.18 -8.62 55.82 6.90 -6.90 54.78 6.54 -7.76 55.30 2 0 1000.00 -999 ? >ASN.F 52 1.03 -8.70 53.58 0.92 -10.79 53.08 0.97 -9.74 53.33 2 0 1000.00 -999 ? >ARG.F 53 3.32 -4.24 56.77 2.17 -1.40 57.18 2.75 -2.82 56.98 2 0 1000.00 -999 ? >PRO.F 54 3.13 -0.31 52.46 4.00 -2.20 51.54 3.57 -1.26 52.00 3 0 1000.00 -999 ? >LEU^F 55 7.74 -2.38 47.63 8.04 -4.41 47.08 7.89 -3.40 47.35 3 0 1000.00 -999 ? >ILE^F 56 10.31 1.66 50.85 9.45 2.80 51.22 9.88 2.23 51.04 3 0 1000.00 -999 ? >GLY.F 57 11.13 1.73 46.04 11.22 2.34 46.60 11.17 2.04 46.32 1 0 1000.00 -999 ? >ARG.F 58 16.33 2.20 44.52 18.92 0.61 45.15 17.63 1.40 44.83 2 0 1000.00 -999 ? >GLY.F 59 13.09 7.72 43.98 12.77 7.30 44.64 12.93 7.51 44.31 1 0 1000.00 -999 ? >GLY.F 60 10.82 8.10 47.04 10.62 7.64 46.41 10.72 7.87 46.73 1 0 1000.00 -999 ? >ILE.F 61 7.74 5.20 44.60 8.35 4.88 43.25 8.04 5.04 43.92 3 0 1000.00 -999 ? >SER^F 62 5.82 3.46 48.07 4.13 3.19 49.76 4.98 3.33 48.92 2 0 1000.00 -999 ? >VAL^F 63 4.09 0.46 46.38 5.10 -0.46 44.68 4.60 0.00 45.53 3 0 1000.00 -999 ? >GLN^F 64 -1.33 -0.31 49.15 -0.80 -1.18 51.00 -1.07 -0.74 50.07 2 0 1000.00 -999 ? >PRO.F 65 1.09 -5.07 48.80 0.06 -3.74 47.30 0.58 -4.41 48.05 3 0 1000.00 -999 ? >THR.F 66 -3.95 -5.30 47.17 -4.68 -4.09 45.50 -4.31 -4.69 46.34 2 0 1000.00 -999 ? >ALA.F 67 -3.63 -9.00 48.06 -3.68 -9.94 46.84 -3.65 -9.47 47.45 2 0 1000.00 -999 ? >GLN~F 68 -2.68 -9.79 52.81 -3.04 -10.03 54.92 -2.86 -9.91 53.87 2 0 1000.00 -999 ? >TRP~F 69 2.85 -13.42 52.01 2.73 -17.05 53.61 2.79 -15.24 52.81 3 0 1000.00 -999 ? >GLN~F 70 -0.63 -16.03 54.48 0.29 -14.12 54.78 -0.17 -15.07 54.63 2 0 1000.00 -999 ? >SER~F 71 -4.92 -15.48 50.15 -5.55 -13.34 50.93 -5.24 -14.41 50.54 2 0 1000.00 -999 ? >PHE~F 72 -2.98 -15.72 45.90 -3.56 -13.14 44.97 -3.27 -14.43 45.43 3 0 1000.00 -999 ? >ASP.F 73 -5.72 -21.95 47.76 -6.55 -21.63 49.71 -6.14 -21.79 48.74 2 0 1000.00 -999 ? >PHE.F 74 -5.41 -22.05 42.59 -7.48 -20.47 41.52 -6.44 -21.26 42.06 3 0 1000.00 -999 ? >THR.F 75 -1.71 -20.20 40.98 0.04 -18.92 41.08 -0.84 -19.56 41.03 2 0 1000.00 -999 ? >ASN.F 76 -1.51 -20.47 36.16 -3.51 -21.18 36.10 -2.51 -20.83 36.13 2 0 1000.00 -999 ? >ILE^F 77 2.77 -18.22 36.50 3.30 -17.73 35.26 3.03 -17.97 35.88 3 0 1000.00 -999 ? >LEU^F 78 4.56 -18.70 42.05 5.12 -17.85 44.01 4.84 -18.28 43.03 3 0 1000.00 -999 ? >ILE^F 79 7.10 -14.18 39.11 7.32 -13.62 37.77 7.21 -13.90 38.44 3 0 1000.00 -999 ? >ILE^F 80 10.51 -16.04 43.52 10.68 -16.99 44.51 10.60 -16.51 44.02 3 0 1000.00 -999 ? >GLY.F 81 11.72 -11.55 42.39 11.91 -12.07 43.00 11.81 -11.81 42.69 1 0 1000.00 -999 ? >SER.F 82 15.10 -10.23 43.64 17.02 -8.84 43.61 16.06 -9.53 43.63 2 0 1000.00 -999 ? >ILE.F 83 16.11 -11.65 48.11 16.15 -13.14 48.27 16.13 -12.40 48.19 3 0 1000.00 -999 ? >GLY.F 84 19.00 -7.98 46.54 18.94 -8.86 46.73 18.97 -8.42 46.64 1 0 1000.00 -999 ? >ASP~F 85 22.98 -8.32 49.27 24.76 -9.33 49.93 23.87 -8.82 49.60 2 0 1000.00 -999 ? >PRO~F 86 21.79 -13.40 47.59 21.43 -12.18 49.42 21.61 -12.79 48.50 3 0 1000.00 -999 ? >LEU~F 87 25.16 -11.80 52.57 26.89 -13.04 52.07 26.02 -12.42 52.32 3 0 1000.00 -999 ? >GLU~F 88 22.63 -7.55 53.25 22.32 -5.64 52.48 22.48 -6.59 52.86 2 0 1000.00 -999 ? >SER~F 89 17.93 -10.93 53.17 18.15 -11.06 50.78 18.04 -10.99 51.97 2 0 1000.00 -999 ? >LEU~F 90 18.84 -15.51 51.91 18.26 -17.31 50.73 18.55 -16.41 51.32 3 0 1000.00 -999 ? >ASP~F 91 18.90 -15.91 57.14 20.14 -17.51 56.50 19.52 -16.71 56.82 2 0 1000.00 -999 ? >LYS~F 92 15.16 -13.01 56.99 14.81 -7.20 57.11 14.99 -10.10 57.05 2 0 1000.00 -999 ? >ILE~F 93 12.60 -15.18 53.44 12.72 -15.19 52.18 12.66 -15.19 52.81 3 0 1000.00 -999 ? >ASP~F 94 8.10 -15.44 56.56 6.58 -16.38 57.64 7.34 -15.91 57.10 2 0 1000.00 -999 ? >PRO~F 95 10.18 -19.55 59.26 9.71 -19.19 57.07 9.94 -19.37 58.16 3 0 1000.00 -999 ? >ALA~F 96 6.01 -20.19 56.12 4.91 -19.45 56.83 5.46 -19.82 56.47 2 0 1000.00 -999 ? >LEU~F 97 7.53 -17.40 52.43 6.64 -15.62 51.61 7.08 -16.51 52.02 3 0 1000.00 -999 ? >PHE~F 98 11.35 -20.90 52.42 13.31 -18.95 52.20 12.33 -19.92 52.31 3 0 1000.00 -999 ? >ASP~F 99 5.44 -24.14 53.93 6.72 -24.92 55.44 6.08 -24.53 54.69 2 0 1000.00 -999 ? >TRP~F 100 1.17 -19.94 49.73 2.88 -17.15 47.49 2.02 -18.54 48.61 3 0 1000.00 -999 ? >ILE~F 101 7.56 -21.47 47.42 8.61 -20.69 47.00 8.09 -21.08 47.21 3 0 1000.00 -999 ? >ARG~F 102 9.60 -27.16 50.13 10.22 -25.60 52.68 9.91 -26.38 51.40 2 0 1000.00 -999 ? >GLU~F 103 2.38 -26.65 50.65 1.77 -25.49 52.33 2.07 -26.07 51.49 2 0 1000.00 -999 ? >LEU~F 104 2.39 -22.95 44.90 1.12 -21.25 45.43 1.76 -22.10 45.17 3 0 1000.00 -999 ? >HIS~F 105 6.91 -27.13 42.31 8.03 -28.35 41.01 7.47 -27.74 41.66 3 0 1000.00 -999 ? >LEU~F 106 3.25 -30.23 45.63 4.75 -31.60 46.36 4.00 -30.91 45.99 3 0 1000.00 -999 ? >LYS~F 107 -0.13 -28.45 43.09 -3.22 -25.58 47.84 -1.68 -27.01 45.46 2 0 1000.00 -999 ? >GLY.F 108 1.32 -27.86 39.60 1.36 -27.22 40.08 1.34 -27.54 39.84 1 0 1000.00 -999 ? >SER.F 109 2.24 -24.12 39.60 1.12 -23.23 41.49 1.68 -23.67 40.54 2 0 1000.00 -999 ? >LYS^F 110 5.15 -23.03 37.49 4.47 -24.64 32.49 4.81 -23.83 34.99 2 0 1000.00 -999 ? >ILE^F 111 8.49 -22.29 40.83 7.74 -21.90 42.06 8.11 -22.09 41.44 3 0 1000.00 -999 ? >VAL^F 112 9.76 -18.70 38.06 8.91 -17.95 36.18 9.34 -18.33 37.12 3 0 1000.00 -999 ? >ALA^F 113 12.75 -17.18 39.88 13.51 -18.07 40.88 13.13 -17.63 40.38 2 0 1000.00 -999 ? >ILE^F 114 13.70 -13.11 37.83 12.29 -12.53 37.47 13.00 -12.82 37.65 3 0 1000.00 -999 ? >ASP.F 115 17.34 -11.02 39.99 18.84 -9.65 40.66 18.09 -10.33 40.32 2 0 1000.00 -999 ? >THR~F 116 18.56 -13.43 43.39 19.63 -11.76 44.32 19.09 -12.59 43.86 2 0 1000.00 -999 ? >GLY~F 117 15.07 -14.80 43.78 15.81 -15.12 43.48 15.44 -14.96 43.63 1 0 1000.00 -999 ? >ILE~F 118 18.02 -17.91 41.34 18.70 -18.31 40.08 18.36 -18.11 40.71 3 0 1000.00 -999 ? >PHE~F 119 20.72 -16.84 46.11 23.31 -16.48 45.06 22.02 -16.66 45.59 3 0 1000.00 -999 ? >VAL~F 120 14.95 -18.43 47.40 13.33 -16.96 47.78 14.14 -17.70 47.59 3 0 1000.00 -999 ? >VAL~F 121 14.22 -21.46 45.19 13.63 -21.75 43.05 13.93 -21.61 44.12 3 0 1000.00 -999 ? >ALA~F 122 17.57 -22.99 46.31 18.89 -22.32 46.19 18.23 -22.65 46.25 2 0 1000.00 -999 ? >LYS~F 123 16.67 -22.45 49.92 16.90 -19.00 55.18 16.78 -20.73 52.55 2 0 1000.00 -999 ? >ALA~F 124 13.17 -23.90 49.34 12.06 -23.30 48.52 12.62 -23.60 48.93 2 0 1000.00 -999 ? >GLY~F 125 14.86 -27.05 47.94 14.44 -26.52 47.44 14.65 -26.79 47.69 1 0 1000.00 -999 ? >LEU.F 126 12.29 -25.62 44.22 10.31 -26.33 44.96 11.30 -25.98 44.59 3 0 1000.00 -999 ? >LEU.F 127 18.07 -26.30 42.64 18.51 -24.13 42.61 18.29 -25.21 42.62 3 0 1000.00 -999 ? >GLN.F 128 12.94 -29.36 39.86 11.74 -29.85 41.59 12.34 -29.60 40.72 2 0 1000.00 -999 ? >GLN.F 129 17.36 -31.44 37.18 17.49 -31.74 35.07 17.42 -31.59 36.13 2 0 1000.00 -999 ? >ASN.F 130 21.86 -30.31 42.59 20.97 -30.99 44.41 21.41 -30.65 43.50 2 0 1000.00 -999 ? >LYS^F 131 21.77 -26.99 38.99 23.40 -30.04 33.86 22.58 -28.51 36.43 2 0 1000.00 -999 ? >ALA^F 132 21.36 -23.16 39.02 21.52 -22.62 40.47 21.44 -22.89 39.75 2 0 1000.00 -999 ? >VAL.F 133 22.39 -20.09 37.11 21.07 -20.11 35.32 21.73 -20.10 36.22 3 0 1000.00 -999 ? >MET.F 134 23.49 -16.71 38.55 22.40 -14.54 40.76 22.94 -15.63 39.66 2 0 1000.00 -999 ? >HIS.F 135 23.57 -11.53 38.27 22.84 -10.70 40.06 23.21 -11.12 39.16 3 0 1000.00 -999 ? >SER.F 136 28.51 -12.31 37.74 30.28 -12.23 36.09 29.40 -12.27 36.91 2 0 1000.00 -999 ? >TYR.F 137 27.36 -8.01 42.12 28.11 -6.63 44.49 27.73 -7.32 43.30 3 0 1000.00 -999 ? >PHE.F 138 24.73 -11.34 44.11 24.14 -8.87 45.34 24.43 -10.10 44.72 3 0 1000.00 -999 ? >ALA~F 139 27.59 -16.06 41.29 28.30 -16.22 39.94 27.94 -16.14 40.61 2 0 1000.00 -999 ? >HIS~F 140 30.88 -14.40 45.11 30.11 -12.68 46.07 30.50 -13.54 45.59 3 0 1000.00 -999 ? >LEU~F 141 26.50 -15.62 47.01 26.98 -13.68 47.92 26.74 -14.65 47.46 3 0 1000.00 -999 ? >PHE~F 142 24.36 -20.50 43.88 21.60 -20.72 43.56 22.98 -20.61 43.72 3 0 1000.00 -999 ? >GLY~F 143 29.68 -21.55 46.24 29.12 -21.10 46.70 29.40 -21.33 46.47 1 0 1000.00 -999 ? >GLU~F 144 30.62 -17.71 49.86 32.05 -18.34 51.27 31.34 -18.02 50.56 2 0 1000.00 -999 ? >LEU~F 145 24.70 -19.71 50.15 24.40 -17.91 51.32 24.55 -18.81 50.73 3 0 1000.00 -999 ? >PHE~F 146 22.49 -22.92 48.21 20.37 -21.76 49.63 21.43 -22.34 48.92 3 0 1000.00 -999 ? >PRO.F 147 28.49 -25.35 50.09 27.62 -25.33 48.00 28.05 -25.34 49.05 3 0 1000.00 -999 ? >GLU.F 148 23.97 -28.75 47.33 23.86 -27.10 48.77 23.91 -27.93 48.05 2 0 1000.00 -999 ? >ILE.F 149 23.93 -25.56 43.64 22.56 -26.04 43.35 23.24 -25.80 43.50 3 0 1000.00 -999 ? >MET^F 150 26.46 -26.79 40.10 27.42 -29.07 36.65 26.94 -27.93 38.38 2 0 1000.00 -999 ? >LEU^F 151 27.08 -22.12 38.77 26.98 -20.99 40.56 27.03 -21.55 39.67 3 0 1000.00 -999 ? >MET.F 152 25.79 -23.56 34.64 25.07 -26.81 34.55 25.43 -25.18 34.60 2 0 1000.00 -999 ? >THR.F 153 28.40 -20.91 33.87 30.47 -20.69 34.47 29.44 -20.80 34.17 2 0 1000.00 -999 ? >GLU.F 154 29.34 -20.56 28.40 31.03 -20.68 29.62 30.18 -20.62 29.01 2 0 1000.00 -999 ? >GLN.F 155 23.05 -22.25 29.83 22.17 -24.02 30.49 22.61 -23.14 30.16 2 0 1000.00 -999 ? >LYS.F 156 21.52 -17.23 31.83 25.68 -16.91 28.57 23.60 -17.07 30.20 2 0 1000.00 -999 ? >ALA^F 157 18.34 -19.37 32.00 17.31 -19.03 30.96 17.82 -19.20 31.48 2 0 1000.00 -999 ? >LEU^F 158 18.48 -23.26 34.25 19.04 -25.20 34.87 18.76 -24.23 34.56 3 0 1000.00 -999 ? >ILE^F 159 13.30 -24.32 31.68 12.22 -23.55 31.02 12.76 -23.93 31.35 3 0 1000.00 -999 ? >ASP^F 160 14.51 -28.81 34.85 14.21 -30.93 34.97 14.36 -29.87 34.91 2 0 1000.00 -999 ? >GLY.F 161 10.30 -29.76 36.18 10.36 -28.97 35.97 10.33 -29.37 36.07 1 0 1000.00 -999 ? >ASN.F 162 6.78 -27.11 36.68 5.11 -26.47 35.47 5.95 -26.79 36.08 2 0 1000.00 -999 ? >VAL^F 163 10.86 -24.47 37.72 11.71 -24.79 39.72 11.29 -24.63 38.72 3 0 1000.00 -999 ? >TYR^F 164 10.12 -21.64 34.05 8.22 -23.19 32.65 9.17 -22.42 33.35 3 0 1000.00 -999 ? >LEU^F 165 16.63 -20.52 37.12 16.51 -21.87 38.86 16.57 -21.20 37.99 3 0 1000.00 -999 ? >SER^F 166 16.61 -16.52 34.95 15.98 -14.79 33.37 16.30 -15.66 34.16 2 0 1000.00 -999 ? >SER.F 167 19.88 -14.72 36.03 21.70 -16.32 35.73 20.79 -15.52 35.88 2 0 1000.00 -999 ? >GLY.F 168 19.10 -11.21 34.63 19.84 -11.54 34.83 19.47 -11.37 34.73 1 0 1000.00 -999 ? >PRO.F 169 21.19 -7.37 36.68 19.82 -9.13 36.20 20.50 -8.25 36.44 3 0 1000.00 -999 ? >TYR.F 170 17.56 -5.10 35.08 17.84 -3.77 37.54 17.70 -4.43 36.31 3 0 1000.00 -999 ? >SER.F 171 16.87 -9.39 30.92 17.42 -9.49 28.54 17.14 -9.44 29.73 2 0 1000.00 -999 ? >HIS~F 172 14.35 -11.65 33.87 15.70 -11.12 35.39 15.02 -11.39 34.63 3 0 1000.00 -999 ? >SER~F 173 13.07 -12.55 27.79 13.92 -10.66 26.56 13.49 -11.60 27.18 2 0 1000.00 -999 ? >SER~F 174 14.07 -16.18 27.42 15.58 -18.00 26.98 14.83 -17.09 27.20 2 0 1000.00 -999 ? >VAL~F 175 12.07 -17.56 30.32 13.10 -17.40 32.33 12.58 -17.48 31.33 3 0 1000.00 -999 ? >MET~F 176 9.09 -15.16 29.95 8.39 -13.95 32.97 8.74 -14.55 31.46 2 0 1000.00 -999 ? >LEU~F 177 9.76 -15.47 25.10 9.56 -13.53 24.14 9.66 -14.50 24.62 3 0 1000.00 -999 ? >GLU~F 178 9.90 -21.85 27.59 10.42 -22.61 25.70 10.16 -22.23 26.64 2 0 1000.00 -999 ? >ILE~F 179 6.00 -18.38 30.58 5.64 -19.17 31.72 5.82 -18.77 31.15 3 0 1000.00 -999 ? >VAL~F 180 4.16 -17.10 26.73 4.14 -15.04 25.99 4.15 -16.07 26.36 3 0 1000.00 -999 ? >GLU~F 181 5.63 -21.31 22.33 7.37 -21.94 21.31 6.50 -21.62 21.82 2 0 1000.00 -999 ? >GLU~F 182 5.45 -23.41 27.77 6.08 -24.05 29.73 5.76 -23.73 28.75 2 0 1000.00 -999 ? >TYR~F 183 0.12 -20.33 29.78 0.44 -21.55 32.29 0.28 -20.94 31.04 3 0 1000.00 -999 ? >PHE~F 184 -0.86 -16.72 25.68 -1.85 -15.71 28.14 -1.36 -16.22 26.91 3 0 1000.00 -999 ? >GLY~F 185 1.33 -20.39 21.27 1.69 -19.75 21.60 1.51 -20.07 21.43 1 0 1000.00 -999 ? >LYS~F 186 4.15 -19.56 18.89 9.55 -19.06 17.61 6.85 -19.31 18.25 2 0 1000.00 -999 ? >HIS~F 187 1.35 -16.79 14.99 1.66 -17.37 13.00 1.50 -17.08 14.00 3 0 1000.00 -999 ? >THR~F 188 1.93 -14.79 20.55 0.28 -14.88 21.89 1.10 -14.83 21.22 2 0 1000.00 -999 ? >ARG~F 189 8.55 -17.80 21.25 10.68 -18.96 23.23 9.62 -18.38 22.24 2 0 1000.00 -999 ? >ASN~F 190 6.53 -14.69 16.87 7.43 -16.64 16.44 6.98 -15.67 16.65 2 0 1000.00 -999 ? >LEU~F 191 3.13 -10.99 18.93 1.65 -10.66 17.31 2.39 -10.83 18.12 3 0 1000.00 -999 ? >GLY~F 192 6.21 -10.73 22.31 6.57 -10.82 21.56 6.39 -10.77 21.93 1 0 1000.00 -999 ? >ASN~F 193 10.12 -12.40 20.07 12.17 -12.30 19.47 11.15 -12.35 19.77 2 0 1000.00 -999 ? >GLN~F 194 8.18 -7.57 16.12 9.92 -8.10 15.04 9.05 -7.84 15.58 2 0 1000.00 -999 ? >PHE~F 195 6.42 -5.73 23.38 6.26 -4.13 25.73 6.34 -4.93 24.55 3 0 1000.00 -999 ? >LEU~F 196 11.23 -8.02 23.64 10.50 -8.57 25.68 10.87 -8.30 24.66 3 0 1000.00 -999 ? >SER.F 197 12.78 -5.60 19.92 11.63 -3.48 19.40 12.20 -4.54 19.66 2 0 1000.00 -999 ? >THR.F 198 15.43 -8.20 20.87 14.33 -9.90 21.66 14.88 -9.05 21.26 2 0 1000.00 -999 ?