REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-MAR-07 2EIU COMPND HYPOTHETICAL PROTEIN AQ_1627; COMPND 3 CHAIN: A, C, D, E, F, G; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; SOURCE 3 ORGANISM_TAXID: 63363; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODONPLUS-RIL-X; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-21A AUTHOR T.S.KUMAREVEL,P.KARTHE,N.NAKANO,S.KURAMITSU,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) SSBOND 1 CYS A 126 CYS F 126 1555 1555 2.04 SSBOND 2 CYS C 126 CYS E 126 1555 1555 2.04 SSBOND 3 CYS D 126 CYS G 126 1555 1555 2.03 >ALA.A 3 71.61 -3.11 43.67 71.16 -3.79 42.37 71.38 -3.45 43.02 2 0 1000.00 -999 ? >ILE.A 4 69.21 1.10 43.73 69.31 2.54 44.10 69.26 1.82 43.91 3 0 1000.00 -999 ? >PHE.A 5 65.36 0.47 40.97 64.30 2.99 41.57 64.83 1.73 41.27 3 0 1000.00 -999 ? >THR.A 6 65.43 -5.35 41.47 63.81 -5.78 42.83 64.62 -5.56 42.15 2 0 1000.00 -999 ? >HIS.A 7 64.89 -8.43 36.08 64.50 -8.92 34.08 64.70 -8.67 35.08 3 0 1000.00 -999 ? >GLU.A 8 60.46 -9.00 39.72 62.37 -9.90 39.86 61.42 -9.45 39.79 2 0 1000.00 -999 ? >GLY.A 9 61.68 -2.94 39.34 61.60 -3.38 39.96 61.64 -3.16 39.65 1 0 1000.00 -999 ? >LYS.A 10 61.47 -2.57 43.12 56.42 -6.28 43.17 58.94 -4.43 43.15 2 0 1000.00 -999 ? >VAL^A 11 63.78 -1.29 45.84 63.59 0.89 45.95 63.69 -0.20 45.90 3 0 1000.00 -999 ? >GLU^A 12 63.99 -5.75 47.72 62.92 -7.35 46.87 63.46 -6.55 47.29 2 0 1000.00 -999 ? >GLY^A 13 65.67 -4.47 52.02 64.90 -4.24 52.24 65.28 -4.35 52.13 1 0 1000.00 -999 ? >VAL.A 14 65.81 -4.10 55.78 66.63 -5.51 57.22 66.22 -4.81 56.50 3 0 1000.00 -999 ? >PRO.A 15 62.88 -1.17 57.26 65.06 -1.26 56.82 63.97 -1.22 57.04 3 0 1000.00 -999 ? >GLY.A 16 68.51 0.93 57.79 68.47 0.47 57.13 68.49 0.70 57.46 1 0 1000.00 -999 ? >ASN.A 17 70.58 -2.92 55.79 70.71 -3.54 57.82 70.64 -3.23 56.81 2 0 1000.00 -999 ? >TYR.A 18 73.28 0.01 50.17 73.35 1.04 47.57 73.31 0.52 48.87 3 0 1000.00 -999 ? >PRO.A 19 68.41 -1.20 48.69 69.95 -0.46 50.11 69.18 -0.83 49.40 3 0 1000.00 -999 ? >LEU.A 20 66.36 0.56 53.17 64.62 -0.01 52.00 65.49 0.28 52.59 3 0 1000.00 -999 ? >THR~A 21 69.97 3.67 54.43 71.93 3.32 53.60 70.95 3.50 54.01 2 0 1000.00 -999 ? >ALA~A 22 68.94 7.25 55.16 69.17 7.97 56.47 69.06 7.61 55.82 2 0 1000.00 -999 ? >GLU~A 23 74.24 8.87 52.22 74.45 8.14 50.22 74.34 8.50 51.22 2 0 1000.00 -999 ? >ASN~A 24 71.07 4.77 49.77 70.80 4.05 47.79 70.93 4.41 48.78 2 0 1000.00 -999 ? >LEU~A 25 66.26 6.41 51.61 65.02 4.66 51.90 65.64 5.54 51.76 3 0 1000.00 -999 ? >PHE~A 26 69.11 12.56 51.03 69.69 15.23 50.40 69.40 13.89 50.72 3 0 1000.00 -999 ? >ARG~A 27 73.50 9.88 47.42 74.08 8.80 44.62 73.79 9.34 46.02 2 0 1000.00 -999 ? >ILE~A 28 66.33 6.69 46.16 65.94 5.28 46.07 66.13 5.99 46.12 3 0 1000.00 -999 ? >GLY~A 29 64.49 10.74 46.39 65.21 10.84 46.01 64.85 10.79 46.20 1 0 1000.00 -999 ? >LEU~A 30 68.20 13.73 45.34 69.17 15.33 46.41 68.69 14.53 45.88 3 0 1000.00 -999 ? >ALA~A 31 67.15 11.61 41.73 67.95 10.32 41.60 67.55 10.96 41.67 2 0 1000.00 -999 ? >LEU~A 32 62.60 10.11 42.53 60.98 8.72 42.25 61.79 9.41 42.39 3 0 1000.00 -999 ? >CYH~A 33 62.48 14.43 41.61 62.13 17.03 42.63 62.30 15.73 42.12 2 0 1000.00 -999 ? >THR~A 34 65.34 15.35 39.29 67.48 15.59 39.52 66.41 15.47 39.40 2 0 1000.00 -999 ? >LEU~A 35 64.10 11.17 37.17 63.86 9.60 35.71 63.98 10.39 36.44 3 0 1000.00 -999 ? >TRP~A 36 57.37 13.72 37.38 58.05 9.84 37.24 57.71 11.78 37.31 3 0 1000.00 -999 ? >ILE~A 37 62.86 18.61 37.45 62.91 19.77 38.40 62.89 19.19 37.92 3 0 1000.00 -999 ? >LEU~A 38 65.95 16.31 33.88 67.61 16.97 35.10 66.78 16.64 34.49 3 0 1000.00 -999 ? >GLU.A 44 57.95 23.28 42.18 56.27 24.57 42.27 57.11 23.93 42.22 2 0 1000.00 -999 ? >PRO.A 45 59.01 17.69 39.86 57.10 18.20 40.89 58.06 17.94 40.38 3 0 1000.00 -999 ? >THR^A 46 54.85 15.68 43.58 52.96 16.56 43.07 53.90 16.12 43.32 2 0 1000.00 -999 ? >LEU^A 47 56.77 12.11 45.96 57.47 10.14 46.53 57.12 11.12 46.24 3 0 1000.00 -999 ? >SER^A 48 52.62 10.62 47.28 50.38 9.66 47.39 51.50 10.14 47.34 2 0 1000.00 -999 ? >ILE.A 49 54.81 8.65 51.08 55.68 9.59 51.72 55.25 9.12 51.40 3 0 1000.00 -999 ? >PRO.A 50 52.93 4.09 51.27 51.89 6.04 51.45 52.41 5.07 51.36 3 0 1000.00 -999 ? >GLU.A 51 53.72 3.97 55.80 53.76 2.20 56.97 53.74 3.09 56.38 2 0 1000.00 -999 ? >THR.A 52 55.18 7.95 57.47 54.13 9.59 58.36 54.66 8.77 57.92 2 0 1000.00 -999 ? >ASN~A 53 57.89 4.40 58.46 57.93 3.79 56.43 57.91 4.10 57.44 2 0 1000.00 -999 ? >PHE~A 54 64.31 5.14 58.76 66.98 5.31 57.94 65.64 5.23 58.35 3 0 1000.00 -999 ? >VAL~A 55 62.07 4.80 54.89 62.20 2.80 53.97 62.14 3.80 54.43 3 0 1000.00 -999 ? >THR~A 56 59.29 6.90 53.37 57.38 6.27 54.16 58.34 6.59 53.77 2 0 1000.00 -999 ? >LEU~A 57 60.43 10.23 56.73 58.54 10.89 57.57 59.48 10.56 57.15 3 0 1000.00 -999 ? >ALA~A 58 64.18 9.65 54.16 65.10 8.45 54.43 64.64 9.05 54.29 2 0 1000.00 -999 ? >LEU~A 59 61.95 8.27 50.08 61.63 7.37 48.14 61.79 7.82 49.11 3 0 1000.00 -999 ? >SER~A 60 60.74 12.41 51.15 58.60 11.60 51.95 59.67 12.00 51.55 2 0 1000.00 -999 ? >VAL~A 61 63.55 14.64 52.42 64.61 14.88 54.31 64.08 14.76 53.37 3 0 1000.00 -999 ? >GLY~A 62 65.54 13.96 49.26 64.73 14.17 49.31 65.13 14.06 49.28 1 0 1000.00 -999 ? >PHE~A 63 60.38 13.90 45.84 58.82 14.11 43.52 59.60 14.01 44.68 3 0 1000.00 -999 ? >MET~A 64 61.94 17.86 48.74 59.94 17.07 52.34 60.94 17.47 50.54 2 0 1000.00 -999 ? >ASN~A 65 66.79 18.01 49.20 68.48 19.10 49.94 67.64 18.55 49.57 2 0 1000.00 -999 ? >ALA~A 66 65.39 18.74 44.91 65.43 17.43 44.15 65.41 18.09 44.53 2 0 1000.00 -999 ? >GLY.A 67 62.32 21.00 44.77 62.17 20.24 44.89 62.24 20.62 44.83 1 0 1000.00 -999 ? >GLY.A 68 59.53 18.44 44.86 59.77 18.79 45.59 59.65 18.61 45.22 1 0 1000.00 -999 ? >SER^A 69 56.58 18.24 47.25 55.93 20.57 47.46 56.26 19.41 47.36 2 0 1000.00 -999 ? >VAL^A 70 55.25 15.21 49.08 56.72 13.68 49.61 55.98 14.44 49.34 3 0 1000.00 -999 ? >ASN^A 71 50.74 14.87 49.91 49.94 13.53 48.46 50.34 14.20 49.18 2 0 1000.00 -999 ? >VAL.A 72 50.66 11.18 52.40 51.00 10.64 54.48 50.83 10.91 53.44 3 0 1000.00 -999 ? >GLY.A 73 47.12 10.53 51.17 47.81 10.68 50.77 47.46 10.61 50.97 1 0 1000.00 -999 ? >GLY.A 75 48.24 11.55 45.40 47.89 12.24 45.04 48.06 11.89 45.22 1 0 1000.00 -999 ? >GLY.A 76 50.43 13.34 42.84 50.51 12.64 42.83 50.47 12.99 42.83 1 0 1000.00 -999 ? >ASP.A 77 54.06 13.76 39.66 53.41 15.71 39.17 53.74 14.74 39.41 2 0 1000.00 -999 ? >ILE^A 78 56.02 9.77 41.59 57.27 9.82 41.17 56.65 9.79 41.38 3 0 1000.00 -999 ? >LYS^A 79 53.00 7.32 44.02 47.43 4.65 45.44 50.21 5.98 44.73 2 0 1000.00 -999 ? >LEU^A 80 55.88 5.46 47.33 57.47 4.36 48.31 56.68 4.91 47.82 3 0 1000.00 -999 ? >PHE^A 81 51.86 1.14 45.21 49.83 2.22 43.63 50.85 1.68 44.42 3 0 1000.00 -999 ? >LEU^A 82 55.49 0.83 51.28 57.07 0.62 52.76 56.28 0.73 52.02 3 0 1000.00 -999 ? >GLN^A 83 55.62 -5.35 50.02 55.25 -7.09 48.82 55.44 -6.22 49.42 2 0 1000.00 -999 ? >LYS^A 84 56.14 -4.18 55.08 53.37 -0.63 57.08 54.75 -2.41 56.08 2 0 1000.00 -999 ? >GLY.A 85 57.00 -7.82 55.71 57.69 -7.33 55.80 57.34 -7.58 55.76 1 0 1000.00 -999 ? >GLU.A 86 61.90 -11.71 56.08 62.02 -11.90 58.19 61.96 -11.80 57.14 2 0 1000.00 -999 ? >ILE.A 87 62.65 -7.32 53.32 63.26 -8.17 52.36 62.96 -7.74 52.84 3 0 1000.00 -999 ? >TYR^A 88 60.25 -1.67 54.60 59.32 -0.41 56.90 59.79 -1.04 55.75 3 0 1000.00 -999 ? >VAL^A 89 59.39 -3.73 49.30 59.01 -5.59 48.25 59.20 -4.66 48.77 3 0 1000.00 -999 ? >LEU^A 90 59.86 0.79 47.93 60.94 1.29 49.74 60.40 1.04 48.83 3 0 1000.00 -999 ? >GLU^A 91 56.04 -0.93 42.32 54.32 -2.02 41.78 55.18 -1.48 42.05 2 0 1000.00 -999 ? >PHE^A 92 59.03 4.70 43.21 60.68 5.26 45.40 59.86 4.98 44.30 3 0 1000.00 -999 ? >GLN^A 93 53.00 2.23 40.77 52.41 0.85 39.25 52.70 1.54 40.01 2 0 1000.00 -999 ? >PRO.A 94 53.83 6.78 35.98 54.36 5.54 37.75 54.09 6.16 36.86 3 0 1000.00 -999 ? >LEU.A 95 59.03 3.81 37.89 60.37 5.35 38.62 59.70 4.58 38.25 3 0 1000.00 -999 ? >SER~A 96 59.07 1.90 33.50 59.58 3.48 31.74 59.32 2.69 32.62 2 0 1000.00 -999 ? >GLU~A 97 62.16 -1.13 30.65 62.59 -2.95 29.65 62.38 -2.04 30.15 2 0 1000.00 -999 ? >THR~A 98 63.25 3.27 30.99 62.73 4.17 29.08 62.99 3.72 30.03 2 0 1000.00 -999 ? >ASP~A 99 61.20 5.71 34.67 59.70 6.76 33.63 60.45 6.23 34.15 2 0 1000.00 -999 ? >ILE~A 100 64.20 1.81 36.38 63.88 0.72 37.25 64.04 1.26 36.82 3 0 1000.00 -999 ? >LYS~A 101 67.53 3.46 33.73 65.73 -1.24 30.40 66.63 1.11 32.07 2 0 1000.00 -999 ? >LEU~A 103 66.30 6.39 38.29 65.24 7.31 39.93 65.77 6.85 39.11 3 0 1000.00 -999 ? >GLU~A 104 70.04 2.32 37.99 68.68 0.90 37.23 69.36 1.61 37.61 2 0 1000.00 -999 ? >SER~A 105 72.28 7.21 35.43 73.06 7.95 33.24 72.67 7.58 34.34 2 0 1000.00 -999 ? >ILE~A 106 70.13 10.72 38.05 69.12 11.78 37.84 69.63 11.25 37.94 3 0 1000.00 -999 ? >LEU~A 107 71.56 7.10 41.54 69.90 7.15 42.92 70.73 7.13 42.23 3 0 1000.00 -999 ? >PHE~A 108 75.04 4.54 40.18 73.94 2.81 42.09 74.49 3.67 41.14 3 0 1000.00 -999 ? >ILE.A 113 71.87 14.53 42.23 71.00 13.42 42.08 71.43 13.97 42.16 3 0 1000.00 -999 ? >PRO.A 114 71.07 19.20 40.06 72.17 18.64 41.91 71.62 18.92 40.98 3 0 1000.00 -999 ? >LYS.A 115 70.04 20.49 45.18 73.43 17.42 47.79 71.73 18.95 46.49 2 0 1000.00 -999 ? >LYS.A 116 67.82 23.47 45.89 66.24 23.89 41.13 67.03 23.68 43.51 2 0 1000.00 -999 ? >THR~A 117 67.91 25.64 49.01 69.90 26.40 48.67 68.90 26.02 48.84 2 0 1000.00 -999 ? >GLY~A 118 65.81 28.12 50.96 65.59 27.42 50.55 65.70 27.77 50.75 1 0 1000.00 -999 ? >GLU~A 119 62.25 30.96 49.06 61.15 32.77 48.94 61.70 31.87 49.00 2 0 1000.00 -999 ? >ASP~A 120 64.41 26.70 45.81 64.54 28.51 44.71 64.48 27.60 45.26 2 0 1000.00 -999 ? >ILE~A 121 63.59 23.23 50.11 64.46 22.37 50.96 64.02 22.80 50.53 3 0 1000.00 -999 ? >GLY.A 122 59.63 21.49 48.45 60.02 21.63 49.12 59.83 21.56 48.79 1 0 1000.00 -999 ? >SER.A 123 56.97 21.03 51.14 54.83 21.65 50.16 55.90 21.34 50.65 2 0 1000.00 -999 ? >PHE^A 124 55.94 15.99 54.35 55.10 13.43 55.10 55.52 14.71 54.72 3 0 1000.00 -999 ? >LYS^A 125 51.76 17.58 53.94 49.06 21.96 50.25 50.41 19.77 52.10 2 0 1000.00 -999 ? >CSS.A 126 50.49 14.99 56.44 52.04 14.92 58.86 51.26 14.95 57.65 2 0 1000.00 -999 ? >ALA.C 3 35.68 -2.37 65.66 35.61 -0.85 65.86 35.64 -1.61 65.76 2 0 1000.00 -999 ? >ILE.C 4 39.18 -5.45 65.63 39.24 -6.84 66.07 39.21 -6.15 65.85 3 0 1000.00 -999 ? >PHE.C 5 42.10 -4.81 62.16 42.55 -7.54 62.50 42.32 -6.17 62.33 3 0 1000.00 -999 ? >THR.C 6 42.42 1.06 62.95 44.25 1.44 64.03 43.34 1.25 63.49 2 0 1000.00 -999 ? >HIS.C 7 43.09 5.25 60.03 44.30 6.50 61.20 43.69 5.87 60.61 3 0 1000.00 -999 ? >GLU.C 8 46.96 4.10 60.50 48.21 5.05 61.92 47.58 4.57 61.21 2 0 1000.00 -999 ? >GLY.C 9 45.55 -1.85 60.27 45.72 -1.38 60.87 45.64 -1.62 60.57 1 0 1000.00 -999 ? >LYS.C 10 46.73 -1.84 63.90 51.38 2.45 63.60 49.05 0.30 63.75 2 0 1000.00 -999 ? >VAL^C 11 44.88 -2.93 67.05 44.04 -4.93 67.25 44.46 -3.93 67.15 3 0 1000.00 -999 ? >GLU^C 12 46.13 1.05 68.34 46.34 3.05 67.67 46.23 2.05 68.01 2 0 1000.00 -999 ? >GLY^C 13 43.47 -0.15 73.43 44.26 -0.28 73.53 43.87 -0.21 73.48 1 0 1000.00 -999 ? >VAL.C 14 43.81 -0.51 77.18 43.11 0.80 78.78 43.46 0.14 77.98 3 0 1000.00 -999 ? >PRO.C 15 47.06 -3.35 78.13 44.83 -3.36 77.99 45.95 -3.35 78.06 3 0 1000.00 -999 ? >GLY.C 16 41.69 -5.80 79.38 41.61 -5.31 78.72 41.65 -5.56 79.05 1 0 1000.00 -999 ? >ASN.C 17 39.20 -2.01 77.79 39.07 -1.45 79.85 39.13 -1.73 78.82 2 0 1000.00 -999 ? >TYR.C 18 36.11 -4.90 72.36 35.66 -6.02 69.84 35.89 -5.46 71.10 3 0 1000.00 -999 ? >PRO.C 19 40.76 -3.43 70.40 39.37 -4.25 71.93 40.07 -3.84 71.17 3 0 1000.00 -999 ? >LEU.C 20 43.30 -5.27 74.49 44.77 -4.48 73.10 44.04 -4.88 73.80 3 0 1000.00 -999 ? >THR~C 21 39.93 -8.52 76.03 37.88 -8.19 75.44 38.90 -8.35 75.73 2 0 1000.00 -999 ? >ALA~C 22 41.13 -12.11 76.44 41.05 -12.94 77.71 41.09 -12.52 77.08 2 0 1000.00 -999 ? >GLU~C 23 36.41 -14.27 75.97 37.06 -16.30 75.90 36.74 -15.29 75.94 2 0 1000.00 -999 ? >ASN~C 24 38.34 -9.52 71.46 38.19 -8.74 69.48 38.26 -9.13 70.47 2 0 1000.00 -999 ? >LEU~C 25 43.44 -11.08 72.56 44.52 -9.21 72.77 43.98 -10.14 72.66 3 0 1000.00 -999 ? >PHE~C 26 40.53 -17.27 71.88 40.03 -19.94 71.18 40.28 -18.60 71.53 3 0 1000.00 -999 ? >ARG~C 27 35.83 -14.25 68.98 35.09 -13.86 66.04 35.46 -14.05 67.51 2 0 1000.00 -999 ? >ILE~C 28 42.73 -11.02 67.13 43.01 -9.59 67.05 42.87 -10.30 67.09 3 0 1000.00 -999 ? >GLY~C 29 44.75 -14.98 67.03 43.99 -15.05 66.69 44.37 -15.02 66.86 1 0 1000.00 -999 ? >LEU~C 30 41.06 -18.00 66.15 40.36 -19.52 67.51 40.71 -18.76 66.83 3 0 1000.00 -999 ? >ALA~C 31 41.62 -15.42 62.63 40.91 -14.07 62.72 41.27 -14.74 62.68 2 0 1000.00 -999 ? >LEU~C 32 46.26 -14.02 62.82 46.90 -11.97 62.94 46.58 -12.99 62.88 3 0 1000.00 -999 ? >CYH~C 33 46.25 -18.25 61.80 46.87 -20.86 62.59 46.56 -19.56 62.19 2 0 1000.00 -999 ? >THR~C 34 43.20 -19.21 59.72 41.11 -19.54 60.19 42.16 -19.38 59.95 2 0 1000.00 -999 ? >LEU~C 35 44.27 -15.06 57.45 44.21 -13.42 56.04 44.24 -14.24 56.74 3 0 1000.00 -999 ? >TRP~C 36 50.95 -16.75 56.93 49.58 -13.12 57.60 50.26 -14.93 57.27 3 0 1000.00 -999 ? >ILE~C 37 45.69 -22.23 57.50 45.59 -23.42 58.35 45.64 -22.83 57.93 3 0 1000.00 -999 ? >LEU~C 38 42.14 -20.45 54.46 40.80 -21.92 55.30 41.47 -21.19 54.88 3 0 1000.00 -999 ? >ASP~C 39 44.34 -16.21 52.64 44.51 -14.77 51.12 44.43 -15.49 51.88 2 0 1000.00 -999 ? >LYS.C 40 48.47 -17.82 52.40 47.69 -12.68 52.75 48.08 -15.25 52.58 2 0 1000.00 -999 ? >GLU.C 41 47.24 -21.60 49.86 47.12 -22.56 47.99 47.18 -22.08 48.92 2 0 1000.00 -999 ? >ILE.C 42 51.56 -20.90 55.65 52.91 -21.03 55.24 52.24 -20.97 55.45 3 0 1000.00 -999 ? >GLU.C 43 51.06 -27.17 56.30 51.06 -29.24 55.82 51.06 -28.21 56.06 2 0 1000.00 -999 ? >GLU.C 44 51.96 -26.99 60.26 52.44 -28.33 61.82 52.20 -27.66 61.04 2 0 1000.00 -999 ? >PRO.C 45 49.69 -20.67 59.60 51.73 -21.35 60.19 50.71 -21.01 59.90 3 0 1000.00 -999 ? >THR^C 46 54.32 -19.21 62.86 56.18 -19.91 62.05 55.25 -19.56 62.46 2 0 1000.00 -999 ? >LEU^C 47 52.36 -15.94 65.66 51.52 -14.13 66.51 51.94 -15.04 66.09 3 0 1000.00 -999 ? >SER^C 48 56.57 -14.16 66.52 58.80 -13.18 66.49 57.69 -13.67 66.51 2 0 1000.00 -999 ? >ILE^C 49 54.63 -12.49 70.67 53.85 -13.55 71.34 54.24 -13.02 71.01 3 0 1000.00 -999 ? >PRO.C 50 56.28 -7.97 71.12 57.48 -9.78 70.73 56.88 -8.88 70.93 3 0 1000.00 -999 ? >GLU.C 51 56.32 -8.22 75.52 56.50 -6.53 76.78 56.41 -7.38 76.15 2 0 1000.00 -999 ? >THR.C 52 55.21 -12.23 77.04 56.49 -13.84 77.70 55.85 -13.04 77.37 2 0 1000.00 -999 ? >ASN~C 53 52.44 -8.95 78.64 52.17 -8.15 76.69 52.30 -8.55 77.67 2 0 1000.00 -999 ? >PHE~C 54 46.13 -10.04 79.63 43.39 -10.25 79.09 44.76 -10.14 79.36 3 0 1000.00 -999 ? >VAL~C 55 47.90 -9.27 75.58 47.65 -7.23 74.85 47.78 -8.25 75.22 3 0 1000.00 -999 ? >THR~C 56 50.44 -11.28 73.57 52.42 -10.57 74.04 51.43 -10.92 73.81 2 0 1000.00 -999 ? >LEU~C 57 49.96 -14.88 76.79 51.93 -15.47 77.46 50.95 -15.18 77.12 3 0 1000.00 -999 ? >ALA~C 58 45.87 -14.27 74.82 44.98 -13.10 75.25 45.43 -13.69 75.04 2 0 1000.00 -999 ? >LEU~C 59 47.56 -12.54 70.65 47.78 -11.85 68.64 47.67 -12.19 69.64 3 0 1000.00 -999 ? >SER~C 60 49.07 -16.64 71.11 51.20 -15.70 71.84 50.13 -16.17 71.48 2 0 1000.00 -999 ? >VAL~C 61 46.50 -19.03 72.61 45.67 -19.38 74.61 46.08 -19.20 73.61 3 0 1000.00 -999 ? >GLY~C 62 44.12 -18.22 69.75 44.93 -18.43 69.69 44.53 -18.32 69.72 1 0 1000.00 -999 ? >PHE~C 63 48.85 -17.81 65.76 50.16 -17.82 63.28 49.50 -17.81 64.52 3 0 1000.00 -999 ? >MET~C 64 47.84 -21.98 68.58 50.13 -21.23 72.00 48.99 -21.60 70.29 2 0 1000.00 -999 ? >ASN~C 65 43.12 -22.45 69.57 41.53 -23.71 70.24 42.32 -23.08 69.90 2 0 1000.00 -999 ? >ALA~C 66 43.91 -22.75 65.09 43.77 -21.39 64.42 43.84 -22.07 64.76 2 0 1000.00 -999 ? >GLY.C 67 47.04 -24.82 64.46 47.19 -24.06 64.63 47.12 -24.44 64.55 1 0 1000.00 -999 ? >GLY.C 68 49.76 -22.17 64.39 49.63 -22.54 65.08 49.70 -22.36 64.73 1 0 1000.00 -999 ? >SER^C 69 53.08 -22.06 66.24 54.03 -24.13 65.38 53.55 -23.10 65.81 2 0 1000.00 -999 ? >VAL^C 70 54.19 -19.17 68.42 52.69 -17.93 69.43 53.44 -18.55 68.93 3 0 1000.00 -999 ? >ASN^C 71 58.76 -18.55 68.56 59.06 -17.22 66.91 58.91 -17.88 67.74 2 0 1000.00 -999 ? >VAL^C 72 59.10 -15.18 71.42 58.76 -14.76 73.54 58.93 -14.97 72.48 3 0 1000.00 -999 ? >GLY.C 73 61.45 -12.97 69.43 61.25 -13.61 69.15 61.35 -13.29 69.29 1 0 1000.00 -999 ? >LYS.C 74 62.45 -15.33 66.64 64.78 -17.76 70.55 63.61 -16.55 68.60 2 0 1000.00 -999 ? >GLY.C 75 61.53 -15.67 62.99 61.11 -15.99 63.63 61.32 -15.83 63.31 1 0 1000.00 -999 ? >GLY.C 76 57.95 -16.09 61.85 58.31 -15.64 61.28 58.13 -15.86 61.57 1 0 1000.00 -999 ? >ASP.C 77 54.41 -16.87 58.64 55.25 -18.75 58.15 54.83 -17.81 58.40 2 0 1000.00 -999 ? >ILE^C 78 52.39 -13.13 61.31 51.50 -13.48 61.05 51.94 -13.30 61.18 3 0 1000.00 -999 ? >LYS^C 79 55.57 -10.69 63.37 60.71 -8.54 62.67 58.14 -9.61 63.02 2 0 1000.00 -999 ? >LEU^C 80 53.04 -9.49 67.25 51.64 -8.44 68.53 52.34 -8.97 67.89 3 0 1000.00 -999 ? >PHE^C 81 56.65 -5.09 65.02 58.30 -6.43 63.19 57.47 -5.76 64.10 3 0 1000.00 -999 ? >LEU^C 82 53.73 -4.94 71.43 52.35 -4.89 73.11 53.04 -4.92 72.27 3 0 1000.00 -999 ? >GLN^C 83 54.68 0.96 69.62 54.03 2.55 68.33 54.35 1.75 68.98 2 0 1000.00 -999 ? >LYS.C 84 53.23 -0.35 75.44 57.10 -3.70 78.13 55.16 -2.03 76.79 2 0 1000.00 -999 ? >GLY.C 85 51.85 2.41 77.66 51.33 1.68 77.64 51.60 2.04 77.65 1 0 1000.00 -999 ? >GLU.C 86 46.48 4.47 80.10 46.15 5.98 81.54 46.32 5.23 80.82 2 0 1000.00 -999 ? >ILE.C 87 46.67 3.37 74.68 45.59 4.01 74.02 46.13 3.69 74.35 3 0 1000.00 -999 ? >TYR^C 88 49.40 -2.63 75.36 50.71 -3.58 77.63 50.05 -3.10 76.50 3 0 1000.00 -999 ? >VAL^C 89 49.45 -0.46 70.05 49.72 1.46 69.04 49.58 0.50 69.55 3 0 1000.00 -999 ? >LEU^C 90 48.95 -4.97 68.55 48.16 -5.59 70.45 48.55 -5.28 69.50 3 0 1000.00 -999 ? >GLU^C 91 52.15 -2.90 62.61 53.70 -1.67 61.84 52.93 -2.28 62.22 2 0 1000.00 -999 ? >PHE^C 92 49.34 -8.44 63.69 48.12 -9.13 66.11 48.73 -8.78 64.90 3 0 1000.00 -999 ? >GLN^C 93 54.70 -5.33 59.87 56.55 -4.24 59.83 55.63 -4.78 59.85 2 0 1000.00 -999 ? >PRO.C 94 53.48 -10.45 55.79 53.21 -8.91 57.37 53.35 -9.68 56.58 3 0 1000.00 -999 ? >LEU.C 95 48.75 -7.25 58.32 46.91 -8.04 59.13 47.83 -7.64 58.72 3 0 1000.00 -999 ? >SER~C 96 48.01 -5.28 53.88 47.35 -6.72 52.06 47.68 -6.00 52.97 2 0 1000.00 -999 ? >GLU~C 97 44.47 -2.29 51.40 43.85 -0.43 50.58 44.16 -1.36 50.99 2 0 1000.00 -999 ? >THR~C 98 43.40 -6.71 51.61 43.72 -7.60 49.66 43.56 -7.15 50.64 2 0 1000.00 -999 ? >ASP~C 99 45.73 -9.20 55.08 47.13 -9.97 53.72 46.43 -9.59 54.40 2 0 1000.00 -999 ? >ILE~C 100 42.69 -5.43 57.28 43.02 -4.34 58.06 42.86 -4.89 57.67 3 0 1000.00 -999 ? >LYS~C 101 39.22 -7.14 55.05 39.47 -2.54 50.80 39.35 -4.84 52.93 2 0 1000.00 -999 ? >LYS~C 102 39.69 -10.91 54.92 43.16 -12.85 49.96 41.43 -11.88 52.44 2 0 1000.00 -999 ? >LEU~C 103 41.44 -10.25 59.43 43.42 -10.94 59.88 42.43 -10.60 59.65 3 0 1000.00 -999 ? >GLU~C 104 37.90 -6.57 59.64 37.68 -4.57 58.97 37.79 -5.57 59.31 2 0 1000.00 -999 ? >SER~C 105 35.19 -11.32 57.21 34.66 -12.71 55.29 34.92 -12.02 56.25 2 0 1000.00 -999 ? >ILE~C 106 37.97 -14.68 59.40 39.00 -15.66 59.19 38.48 -15.17 59.30 3 0 1000.00 -999 ? >LEU~C 107 36.90 -11.34 63.23 38.88 -11.42 64.06 37.89 -11.38 63.65 3 0 1000.00 -999 ? >ILE.C 113 37.28 -19.27 63.68 38.16 -18.21 63.59 37.72 -18.74 63.64 3 0 1000.00 -999 ? >PRO.C 114 37.03 -23.68 60.57 37.27 -23.24 62.74 37.15 -23.46 61.66 3 0 1000.00 -999 ? >LYS.C 115 39.78 -25.03 65.71 36.39 -21.28 68.66 38.08 -23.15 67.18 2 0 1000.00 -999 ? >LYS.C 116 42.34 -27.80 66.04 43.29 -26.08 61.48 42.82 -26.94 63.76 2 0 1000.00 -999 ? >THR~C 117 42.46 -30.21 68.99 40.51 -31.07 68.59 41.49 -30.64 68.79 2 0 1000.00 -999 ? >GLY~C 118 44.98 -32.56 70.53 45.10 -31.79 70.22 45.04 -32.17 70.38 1 0 1000.00 -999 ? >GLU~C 119 49.75 -34.03 70.51 50.29 -32.59 71.98 50.02 -33.31 71.24 2 0 1000.00 -999 ? >ASP~C 120 45.86 -30.81 65.33 45.97 -32.74 64.50 45.92 -31.78 64.92 2 0 1000.00 -999 ? >ILE~C 121 46.59 -27.40 69.81 45.66 -26.81 70.83 46.12 -27.11 70.32 3 0 1000.00 -999 ? >GLY.C 122 50.26 -25.29 67.91 49.96 -25.51 68.60 50.11 -25.40 68.25 1 0 1000.00 -999 ? >SER.C 123 53.20 -25.14 70.29 55.20 -25.49 68.99 54.20 -25.31 69.64 2 0 1000.00 -999 ? >PHE^C 124 54.30 -20.23 73.72 55.06 -17.67 74.61 54.68 -18.95 74.16 3 0 1000.00 -999 ? >LYS^C 125 58.46 -21.47 72.48 60.08 -26.58 71.88 59.27 -24.02 72.18 2 0 1000.00 -999 ? >CSS.C 126 59.75 -19.02 75.11 58.52 -19.16 77.72 59.13 -19.09 76.41 2 0 1000.00 -999 ? >ALA.D 3 76.43 -46.17 30.47 76.31 -46.72 29.05 76.37 -46.45 29.76 2 0 1000.00 -999 ? >ILE.D 4 73.14 -46.87 33.81 72.95 -45.64 34.53 73.05 -46.25 34.17 3 0 1000.00 -999 ? >PHE.D 5 69.67 -45.87 29.83 68.17 -43.93 31.18 68.92 -44.90 30.51 3 0 1000.00 -999 ? >THR.D 6 70.65 -51.34 28.05 68.96 -52.42 28.86 69.80 -51.88 28.46 2 0 1000.00 -999 ? >HIS.D 7 71.01 -53.49 23.34 70.19 -55.42 23.33 70.60 -54.46 23.34 3 0 1000.00 -999 ? >GLU.D 8 66.56 -53.93 24.45 65.53 -55.57 25.28 66.05 -54.75 24.87 2 0 1000.00 -999 ? >GLY.D 9 66.89 -48.05 26.34 66.73 -48.76 26.69 66.81 -48.40 26.51 1 0 1000.00 -999 ? >LYS.D 10 66.06 -49.38 29.80 62.56 -53.97 27.26 64.31 -51.67 28.53 2 0 1000.00 -999 ? >VAL^D 11 67.62 -49.47 33.26 68.34 -47.70 34.33 67.98 -48.58 33.80 3 0 1000.00 -999 ? >GLU^D 12 66.60 -53.68 32.64 66.10 -55.38 31.48 66.35 -54.53 32.06 2 0 1000.00 -999 ? >GLY^D 13 68.44 -54.34 38.23 67.62 -54.33 38.23 68.03 -54.34 38.23 1 0 1000.00 -999 ? >VAL.D 14 67.47 -55.65 41.63 67.84 -57.52 42.70 67.66 -56.59 42.17 3 0 1000.00 -999 ? >PRO.D 15 63.93 -53.60 43.15 66.14 -53.51 43.46 65.04 -53.55 43.30 3 0 1000.00 -999 ? >GLY.D 16 68.80 -51.67 46.19 69.01 -51.86 45.44 68.91 -51.76 45.82 1 0 1000.00 -999 ? >ASN.D 17 71.90 -54.44 43.85 71.57 -55.68 45.56 71.73 -55.06 44.71 2 0 1000.00 -999 ? >TYR.D 18 75.55 -49.93 40.24 76.21 -48.24 38.11 75.88 -49.09 39.17 3 0 1000.00 -999 ? >PRO.D 19 71.41 -50.09 37.26 72.43 -50.06 39.24 71.92 -50.08 38.25 3 0 1000.00 -999 ? >LEU.D 20 68.17 -50.43 41.33 67.03 -50.55 39.49 67.60 -50.49 40.41 3 0 1000.00 -999 ? >THR~D 21 70.94 -48.13 44.67 73.08 -48.03 44.35 72.01 -48.08 44.51 2 0 1000.00 -999 ? >ALA~D 22 69.39 -45.11 46.37 69.16 -44.91 47.87 69.28 -45.01 47.12 2 0 1000.00 -999 ? >GLU~D 23 73.93 -43.79 47.55 73.20 -45.78 47.69 73.56 -44.79 47.62 2 0 1000.00 -999 ? >ASN~D 24 72.95 -45.31 41.27 73.47 -45.15 39.21 73.21 -45.23 40.24 2 0 1000.00 -999 ? >LEU~D 25 67.74 -44.20 42.16 66.80 -46.02 41.44 67.27 -45.11 41.80 3 0 1000.00 -999 ? >PHE~D 26 70.51 -38.46 44.72 71.35 -35.82 45.22 70.93 -37.14 44.97 3 0 1000.00 -999 ? >ARG~D 27 75.81 -40.00 41.29 76.76 -37.51 39.76 76.28 -38.76 40.53 2 0 1000.00 -999 ? >ILE~D 28 69.27 -41.82 37.49 69.10 -43.04 36.85 69.18 -42.43 37.17 3 0 1000.00 -999 ? >GLY~D 29 67.12 -38.15 38.94 67.93 -37.96 38.76 67.52 -38.05 38.85 1 0 1000.00 -999 ? >LEU~D 30 70.85 -35.15 39.85 71.35 -34.24 41.73 71.10 -34.69 40.79 3 0 1000.00 -999 ? >ALA~D 31 70.78 -35.93 35.57 71.54 -37.19 35.19 71.16 -36.56 35.38 2 0 1000.00 -999 ? >LEU~D 32 66.22 -37.33 34.52 64.72 -38.36 33.36 65.47 -37.84 33.94 3 0 1000.00 -999 ? >CYH~D 33 66.13 -33.03 35.48 65.34 -31.03 37.25 65.73 -32.03 36.36 2 0 1000.00 -999 ? >THR~D 34 69.35 -31.27 34.47 71.34 -31.18 35.33 70.34 -31.23 34.90 2 0 1000.00 -999 ? >LEU~D 35 68.76 -34.11 30.61 68.89 -34.98 28.65 68.83 -34.55 29.63 3 0 1000.00 -999 ? >TRP~D 36 61.99 -31.83 30.16 63.16 -35.22 28.53 62.58 -33.53 29.35 3 0 1000.00 -999 ? >ILE~D 37 67.08 -27.47 33.42 67.00 -26.87 34.72 67.04 -27.17 34.07 3 0 1000.00 -999 ? >LEU~D 38 71.01 -27.85 30.31 72.13 -26.89 31.90 71.57 -27.37 31.11 3 0 1000.00 -999 ? >ASP~D 39 69.19 -30.93 26.61 69.26 -31.62 24.60 69.23 -31.27 25.60 2 0 1000.00 -999 ? >LYS.D 40 65.04 -29.24 26.49 66.47 -33.74 25.61 65.76 -31.49 26.05 2 0 1000.00 -999 ? >GLU.D 41 66.32 -24.73 25.84 66.12 -23.84 23.94 66.22 -24.29 24.89 2 0 1000.00 -999 ? >ILE.D 42 61.35 -27.57 30.20 60.95 -27.96 30.79 61.15 -27.77 30.49 3 0 1000.00 -999 ? >GLU.D 43 63.84 -22.06 34.18 64.34 -20.61 32.71 64.09 -21.34 33.44 2 0 1000.00 -999 ? >GLU.D 44 60.58 -24.34 37.56 59.22 -22.79 38.07 59.90 -23.57 37.82 2 0 1000.00 -999 ? >PRO.D 45 62.94 -29.65 34.21 60.85 -29.28 34.89 61.90 -29.46 34.55 3 0 1000.00 -999 ? >THR^D 46 57.85 -32.18 35.88 55.82 -31.54 36.27 56.84 -31.86 36.07 2 0 1000.00 -999 ? >LEU^D 47 59.60 -36.46 37.09 60.45 -38.45 36.90 60.02 -37.45 36.99 3 0 1000.00 -999 ? >SER^D 48 55.42 -38.29 36.54 53.26 -39.07 35.76 54.34 -38.68 36.15 2 0 1000.00 -999 ? >ILE^D 49 56.67 -41.69 39.69 57.38 -41.06 40.80 57.03 -41.37 40.24 3 0 1000.00 -999 ? >PRO.D 50 55.14 -45.86 37.75 53.90 -44.09 38.28 54.52 -44.97 38.01 3 0 1000.00 -999 ? >GLU.D 51 54.66 -47.63 41.58 54.47 -49.73 41.63 54.57 -48.68 41.60 2 0 1000.00 -999 ? >THR.D 52 55.48 -44.79 45.25 54.10 -43.53 46.34 54.79 -44.16 45.80 2 0 1000.00 -999 ? >ASN~D 53 58.06 -48.60 45.39 58.54 -48.38 43.33 58.30 -48.49 44.36 2 0 1000.00 -999 ? >PHE~D 54 64.21 -48.29 47.43 66.99 -47.84 47.43 65.60 -48.07 47.43 3 0 1000.00 -999 ? >VAL~D 55 62.94 -47.01 43.32 63.41 -48.51 41.84 63.17 -47.76 42.58 3 0 1000.00 -999 ? >THR~D 56 60.55 -44.25 42.19 58.53 -45.02 42.04 59.54 -44.64 42.11 2 0 1000.00 -999 ? >LEU~D 57 60.66 -42.52 46.74 58.61 -42.17 47.38 59.64 -42.35 47.06 3 0 1000.00 -999 ? >ALA~D 58 64.95 -42.35 45.23 65.82 -43.62 45.16 65.38 -42.99 45.19 2 0 1000.00 -999 ? >LEU~D 59 63.91 -41.85 40.53 64.05 -41.62 38.39 63.98 -41.74 39.46 3 0 1000.00 -999 ? >SER~D 60 62.15 -38.42 42.69 59.96 -39.47 42.66 61.06 -38.94 42.67 2 0 1000.00 -999 ? >VAL~D 61 64.58 -37.13 45.34 65.21 -37.77 47.33 64.89 -37.45 46.33 3 0 1000.00 -999 ? >GLY~D 62 67.28 -36.53 42.74 66.46 -36.34 42.67 66.87 -36.44 42.71 1 0 1000.00 -999 ? >PHE~D 63 63.03 -35.04 38.49 62.16 -33.89 36.07 62.59 -34.46 37.28 3 0 1000.00 -999 ? >MET~D 64 63.64 -32.53 42.99 60.74 -33.84 45.69 62.19 -33.18 44.34 2 0 1000.00 -999 ? >ASN~D 65 68.24 -32.81 44.48 69.61 -32.19 46.00 68.93 -32.50 45.24 2 0 1000.00 -999 ? >ALA~D 66 68.00 -30.41 40.64 68.28 -31.31 39.44 68.14 -30.86 40.04 2 0 1000.00 -999 ? >GLY.D 67 64.93 -28.17 40.66 64.77 -28.91 40.48 64.85 -28.54 40.57 1 0 1000.00 -999 ? >GLY.D 68 62.25 -30.39 39.16 62.34 -30.36 39.98 62.30 -30.37 39.57 1 0 1000.00 -999 ? >SER^D 69 58.87 -31.26 40.64 58.11 -29.11 41.44 58.49 -30.18 41.04 2 0 1000.00 -999 ? >VAL^D 70 57.22 -34.68 40.82 58.64 -36.30 41.20 57.93 -35.49 41.01 3 0 1000.00 -999 ? >ASN^D 71 52.67 -35.24 40.10 52.64 -35.65 38.01 52.65 -35.45 39.06 2 0 1000.00 -999 ? >VAL^D 72 52.12 -39.54 40.98 52.17 -40.93 42.65 52.14 -40.23 41.82 3 0 1000.00 -999 ? >GLY.D 73 50.23 -40.58 37.84 50.42 -39.87 37.96 50.33 -40.22 37.90 1 0 1000.00 -999 ? >LYS.D 74 49.57 -37.10 36.43 49.47 -36.24 41.45 49.52 -36.67 38.94 2 0 1000.00 -999 ? >GLY.D 75 50.92 -35.10 33.50 51.22 -35.12 34.25 51.07 -35.11 33.88 1 0 1000.00 -999 ? >GLY.D 76 54.60 -34.25 33.16 54.31 -34.41 32.39 54.46 -34.33 32.78 1 0 1000.00 -999 ? >ASP.D 77 58.52 -32.34 31.02 57.70 -30.46 31.44 58.11 -31.40 31.23 2 0 1000.00 -999 ? >ILE^D 78 60.40 -36.76 31.94 60.89 -37.42 31.96 60.64 -37.09 31.95 3 0 1000.00 -999 ? >LYS^D 79 57.14 -40.00 32.53 51.64 -39.65 31.31 54.39 -39.83 31.92 2 0 1000.00 -999 ? >LEU^D 80 59.15 -43.03 35.62 60.47 -44.52 36.49 59.81 -43.77 36.05 3 0 1000.00 -999 ? >PHE^D 81 56.05 -46.04 31.23 54.29 -44.27 29.98 55.17 -45.16 30.60 3 0 1000.00 -999 ? >LEU^D 82 58.34 -48.94 37.23 59.79 -49.69 38.64 59.06 -49.31 37.93 3 0 1000.00 -999 ? >GLN^D 83 57.92 -55.23 33.89 58.50 -56.07 32.02 58.21 -55.65 32.95 2 0 1000.00 -999 ? >LYS.D 84 58.51 -54.81 38.68 54.33 -52.22 41.81 56.42 -53.52 40.24 2 0 1000.00 -999 ? >GLY.D 85 59.55 -58.35 39.57 60.10 -57.74 39.89 59.82 -58.04 39.73 1 0 1000.00 -999 ? >GLU.D 86 64.75 -61.67 40.74 65.19 -63.75 40.63 64.97 -62.71 40.69 2 0 1000.00 -999 ? >ILE.D 87 65.21 -58.11 36.96 66.39 -58.54 36.32 65.80 -58.33 36.64 3 0 1000.00 -999 ? >TYR^D 88 62.09 -53.14 40.12 60.43 -53.44 42.36 61.26 -53.29 41.24 3 0 1000.00 -999 ? >VAL^D 89 62.87 -52.47 34.42 62.81 -53.72 32.63 62.84 -53.09 33.53 3 0 1000.00 -999 ? >LEU^D 90 63.57 -47.76 35.06 64.08 -47.99 37.15 63.83 -47.88 36.10 3 0 1000.00 -999 ? >GLU^D 91 60.78 -47.10 28.64 59.22 -47.86 27.42 60.00 -47.48 28.03 2 0 1000.00 -999 ? >PHE^D 92 63.11 -42.50 32.26 64.18 -43.10 34.79 63.65 -42.80 33.53 3 0 1000.00 -999 ? >GLN^D 93 56.87 -41.87 27.94 55.18 -42.27 26.70 56.02 -42.07 27.32 2 0 1000.00 -999 ? >PRO.D 94 59.52 -37.01 25.79 59.71 -39.13 26.43 59.62 -38.07 26.11 3 0 1000.00 -999 ? >LEU.D 95 64.10 -40.95 27.39 65.75 -40.43 28.68 64.93 -40.69 28.04 3 0 1000.00 -999 ? >SER~D 96 65.61 -40.91 22.79 66.76 -38.91 22.05 66.19 -39.91 22.42 2 0 1000.00 -999 ? >GLU~D 97 68.23 -44.80 20.98 68.81 -45.97 19.32 68.52 -45.39 20.15 2 0 1000.00 -999 ? >THR~D 98 70.75 -39.58 22.06 71.18 -38.29 20.37 70.96 -38.93 21.22 2 0 1000.00 -999 ? >ASP~D 99 67.55 -38.19 25.55 66.46 -36.76 24.44 67.01 -37.47 24.99 2 0 1000.00 -999 ? >ILE~D 100 70.04 -42.74 26.60 69.53 -44.05 26.82 69.78 -43.39 26.71 3 0 1000.00 -999 ? >LYS~D 101 73.89 -40.60 25.86 73.94 -44.35 22.08 73.92 -42.48 23.97 2 0 1000.00 -999 ? >LYS~D 102 73.59 -36.97 27.00 70.73 -33.27 22.68 72.16 -35.12 24.84 2 0 1000.00 -999 ? >LEU~D 103 70.88 -39.02 30.43 69.38 -38.99 31.97 70.13 -39.00 31.20 3 0 1000.00 -999 ? >GLU~D 104 73.97 -42.72 29.97 74.16 -44.44 28.76 74.07 -43.58 29.37 2 0 1000.00 -999 ? >SER~D 105 77.51 -37.86 29.97 78.79 -36.28 28.65 78.15 -37.07 29.31 2 0 1000.00 -999 ? >ILE~D 106 74.54 -35.17 32.79 73.57 -34.13 32.72 74.05 -34.65 32.75 3 0 1000.00 -999 ? >LEU~D 107 75.02 -39.98 34.89 74.51 -41.41 36.42 74.76 -40.70 35.66 3 0 1000.00 -999 ? >PHE~D 108 78.80 -42.72 33.83 77.39 -45.09 34.33 78.09 -43.91 34.08 3 0 1000.00 -999 ? >GLY.D 109 80.56 -36.79 34.11 80.64 -37.21 34.78 80.60 -37.00 34.44 1 0 1000.00 -999 ? >ARG.D 110 86.81 -35.53 36.44 88.35 -33.95 38.59 87.58 -34.74 37.52 2 0 1000.00 -999 ? >ALA.D 111 81.89 -32.13 36.49 81.38 -31.17 35.42 81.63 -31.65 35.95 2 0 1000.00 -999 ? >PRO.D 112 81.60 -31.88 40.77 80.20 -32.33 39.10 80.90 -32.10 39.94 3 0 1000.00 -999 ? >ILE.D 113 74.89 -33.31 38.75 74.02 -34.24 37.99 74.46 -33.77 38.37 3 0 1000.00 -999 ? >PRO.D 114 75.62 -27.90 38.01 74.97 -29.31 39.60 75.30 -28.61 38.80 3 0 1000.00 -999 ? >LYS.D 115 72.13 -28.88 42.79 74.75 -33.20 43.03 73.44 -31.04 42.91 2 0 1000.00 -999 ? >LYS.D 116 69.39 -26.52 43.95 70.03 -25.06 39.97 69.71 -25.79 41.96 2 0 1000.00 -999 ? >THR~D 117 69.02 -25.72 47.67 70.97 -24.82 47.99 69.99 -25.27 47.83 2 0 1000.00 -999 ? >GLY~D 118 66.36 -24.40 50.01 66.29 -24.83 49.33 66.33 -24.62 49.67 1 0 1000.00 -999 ? >GLU~D 119 61.64 -22.60 50.19 60.73 -24.50 50.48 61.18 -23.55 50.33 2 0 1000.00 -999 ? >ASP~D 120 65.90 -23.31 44.40 65.97 -21.22 44.63 65.94 -22.26 44.51 2 0 1000.00 -999 ? >ILE~D 121 64.70 -28.41 46.67 65.45 -29.41 47.39 65.08 -28.91 47.03 3 0 1000.00 -999 ? >GLY.D 122 61.31 -29.16 43.60 61.52 -29.29 44.35 61.41 -29.23 43.97 1 0 1000.00 -999 ? >SER.D 123 58.08 -30.38 45.19 56.24 -29.39 43.98 57.16 -29.89 44.59 2 0 1000.00 -999 ? >PHE^D 124 56.56 -36.22 45.88 55.75 -38.86 45.39 56.16 -37.54 45.64 3 0 1000.00 -999 ? >CSS.D 126 50.96 -37.86 45.75 51.85 -38.97 48.25 51.40 -38.41 47.00 2 0 1000.00 -999 ? >ALA.E 3 31.74 -29.56 88.66 31.78 -30.68 89.70 31.76 -30.12 89.18 2 0 1000.00 -999 ? >ILE.E 4 35.39 -28.91 85.74 35.60 -27.49 85.62 35.49 -28.20 85.68 3 0 1000.00 -999 ? >PHE.E 5 38.33 -30.13 90.10 40.02 -27.90 89.88 39.18 -29.02 89.99 3 0 1000.00 -999 ? >THR.E 6 37.03 -35.71 89.06 38.77 -36.40 88.00 37.90 -36.06 88.53 2 0 1000.00 -999 ? >HIS.E 7 36.44 -39.95 91.59 37.22 -41.47 90.36 36.83 -40.71 90.98 3 0 1000.00 -999 ? >GLU.E 8 41.02 -39.80 90.99 42.48 -40.79 89.81 41.75 -40.29 90.40 2 0 1000.00 -999 ? >GLY.E 9 40.58 -33.86 92.32 40.81 -34.30 91.67 40.70 -34.08 92.00 1 0 1000.00 -999 ? >LYS.E 10 41.91 -33.40 88.79 46.02 -38.16 89.06 43.96 -35.78 88.92 2 0 1000.00 -999 ? >VAL^E 11 40.76 -31.97 85.47 40.14 -29.91 85.23 40.45 -30.94 85.35 3 0 1000.00 -999 ? >GLU^E 12 41.70 -36.07 83.98 41.97 -38.16 84.16 41.83 -37.11 84.07 2 0 1000.00 -999 ? >GLY^E 13 40.37 -33.85 78.71 41.18 -33.92 78.78 40.78 -33.88 78.75 1 0 1000.00 -999 ? >VAL.E 14 41.62 -33.43 75.19 41.22 -34.64 73.42 41.42 -34.03 74.30 3 0 1000.00 -999 ? >PRO.E 15 45.31 -31.16 75.02 43.14 -30.75 74.72 44.22 -30.95 74.87 3 0 1000.00 -999 ? >GLY.E 16 40.81 -27.73 72.87 40.51 -28.23 73.43 40.66 -27.98 73.15 1 0 1000.00 -999 ? >ASN.E 17 37.49 -31.04 73.48 37.77 -31.29 71.39 37.63 -31.17 72.44 2 0 1000.00 -999 ? >TYR.E 18 33.49 -28.69 78.47 32.48 -28.29 81.05 32.98 -28.49 79.76 3 0 1000.00 -999 ? >PRO.E 19 37.28 -30.45 81.32 36.47 -29.42 79.52 36.88 -29.94 80.42 3 0 1000.00 -999 ? >LEU.E 20 40.94 -28.87 78.01 41.95 -29.89 79.63 41.44 -29.38 78.82 3 0 1000.00 -999 ? >THR~E 21 38.65 -25.17 75.78 36.48 -25.14 75.76 37.57 -25.15 75.77 2 0 1000.00 -999 ? >ALA~E 22 40.54 -21.86 75.70 40.84 -21.03 74.44 40.69 -21.45 75.07 2 0 1000.00 -999 ? >GLU~E 23 34.95 -19.72 77.39 33.09 -19.54 76.40 34.02 -19.63 76.90 2 0 1000.00 -999 ? >ASN~E 24 36.57 -24.14 79.81 35.83 -24.99 81.63 36.20 -24.57 80.72 2 0 1000.00 -999 ? >LEU~E 25 41.82 -23.16 79.92 42.57 -25.18 79.85 42.20 -24.17 79.88 3 0 1000.00 -999 ? >PHE~E 26 39.86 -16.62 80.19 39.50 -13.96 81.02 39.68 -15.29 80.61 3 0 1000.00 -999 ? >ARG~E 27 33.87 -19.30 82.50 32.38 -17.72 84.67 33.12 -18.51 83.59 2 0 1000.00 -999 ? >ILE~E 28 39.99 -23.01 85.06 40.02 -24.44 85.12 40.00 -23.72 85.09 3 0 1000.00 -999 ? >GLY~E 29 42.53 -19.37 85.76 41.71 -19.17 85.89 42.12 -19.27 85.82 1 0 1000.00 -999 ? >LEU~E 30 39.16 -15.94 85.66 38.77 -13.96 84.87 38.96 -14.95 85.26 3 0 1000.00 -999 ? >ALA~E 31 38.50 -18.33 89.28 37.59 -19.55 89.03 38.04 -18.94 89.15 2 0 1000.00 -999 ? >LEU~E 32 42.76 -20.59 89.95 44.02 -22.17 90.71 43.39 -21.38 90.33 3 0 1000.00 -999 ? >CYH~E 33 43.30 -16.34 91.12 44.35 -13.80 90.55 43.82 -15.07 90.83 2 0 1000.00 -999 ? >THR~E 34 40.05 -14.94 92.52 38.17 -14.37 91.63 39.11 -14.65 92.07 2 0 1000.00 -999 ? >LEU~E 35 39.93 -19.26 94.76 39.68 -20.88 96.17 39.81 -20.07 95.47 3 0 1000.00 -999 ? >TRP~E 36 46.59 -18.29 96.85 45.19 -21.88 96.06 45.89 -20.08 96.46 3 0 1000.00 -999 ? >ILE~E 37 42.38 -12.23 95.27 42.57 -11.02 94.47 42.48 -11.63 94.87 3 0 1000.00 -999 ? >LEU~E 38 38.18 -13.60 97.74 37.26 -12.07 96.52 37.72 -12.83 97.13 3 0 1000.00 -999 ? >ASP~E 39 39.37 -18.13 99.75 39.35 -19.68 101.20 39.36 -18.90 100.48 2 0 1000.00 -999 ? >LYS.E 40 43.54 -17.04 100.79 42.20 -22.05 100.30 42.87 -19.54 100.54 2 0 1000.00 -999 ? >GLU.E 41 42.46 -13.01 103.28 42.41 -12.71 105.38 42.43 -12.86 104.33 2 0 1000.00 -999 ? >ILE.E 42 47.57 -14.32 98.24 48.80 -14.46 99.02 48.18 -14.39 98.63 3 0 1000.00 -999 ? >GLU.E 43 47.83 -7.63 97.04 48.30 -6.01 98.32 48.06 -6.82 97.68 2 0 1000.00 -999 ? >GLU.E 44 49.56 -8.20 94.25 51.22 -6.89 94.17 50.39 -7.55 94.21 2 0 1000.00 -999 ? >PRO.E 45 46.71 -14.37 93.33 48.76 -13.77 93.93 47.73 -14.07 93.63 3 0 1000.00 -999 ? >THR^E 46 51.52 -16.39 91.83 53.62 -15.87 91.85 52.57 -16.13 91.84 2 0 1000.00 -999 ? >LEU^E 47 49.67 -19.45 88.68 48.76 -21.16 87.70 49.22 -20.31 88.19 3 0 1000.00 -999 ? >SER^E 48 53.74 -21.67 88.69 55.88 -22.70 89.19 54.81 -22.18 88.94 2 0 1000.00 -999 ? >ILE^E 49 52.58 -23.11 84.24 52.06 -22.02 83.42 52.32 -22.57 83.83 3 0 1000.00 -999 ? >PRO.E 50 53.58 -27.82 84.09 54.97 -26.15 84.60 54.28 -26.98 84.35 3 0 1000.00 -999 ? >GLU.E 51 54.63 -27.82 80.04 54.91 -29.86 79.48 54.77 -28.84 79.76 2 0 1000.00 -999 ? >THR.E 52 54.36 -23.47 78.04 55.97 -22.06 77.68 55.16 -22.76 77.86 2 0 1000.00 -999 ? >ASN~E 53 51.59 -26.45 75.96 50.90 -27.18 77.84 51.25 -26.82 76.90 2 0 1000.00 -999 ? >PHE~E 54 45.76 -24.69 73.82 43.01 -24.11 73.79 44.39 -24.40 73.80 3 0 1000.00 -999 ? >VAL~E 55 46.67 -25.56 78.10 45.99 -27.53 78.71 46.33 -26.55 78.40 3 0 1000.00 -999 ? >THR~E 56 49.02 -23.86 80.58 50.97 -24.80 80.49 49.99 -24.33 80.53 2 0 1000.00 -999 ? >LEU~E 57 49.53 -20.28 77.30 51.65 -19.87 77.04 50.59 -20.07 77.17 3 0 1000.00 -999 ? >ALA~E 58 45.14 -20.46 78.46 44.23 -21.54 77.91 44.68 -21.00 78.18 2 0 1000.00 -999 ? >LEU~E 59 45.68 -22.23 82.92 44.72 -23.52 84.34 45.20 -22.88 83.63 3 0 1000.00 -999 ? >SER~E 60 47.76 -18.34 82.70 49.90 -19.50 82.54 48.83 -18.92 82.62 2 0 1000.00 -999 ? >VAL~E 61 45.84 -15.73 80.69 45.45 -15.34 78.57 45.65 -15.53 79.63 3 0 1000.00 -999 ? >GLY~E 62 42.79 -16.08 82.91 43.60 -16.00 83.13 43.19 -16.04 83.02 1 0 1000.00 -999 ? >PHE~E 63 46.55 -17.05 87.74 47.33 -17.20 90.44 46.94 -17.13 89.09 3 0 1000.00 -999 ? >MET~E 64 46.64 -12.70 84.96 49.89 -12.72 82.23 48.26 -12.71 83.60 2 0 1000.00 -999 ? >ASN~E 65 42.27 -11.81 83.04 41.12 -10.40 81.90 41.70 -11.11 82.47 2 0 1000.00 -999 ? >ALA~E 66 42.24 -11.45 87.67 41.79 -12.78 88.27 42.01 -12.12 87.97 2 0 1000.00 -999 ? >GLY.E 67 45.42 -9.81 88.96 45.50 -10.58 88.79 45.46 -10.20 88.87 1 0 1000.00 -999 ? >GLY.E 68 47.71 -12.80 89.46 47.75 -12.40 88.75 47.73 -12.60 89.10 1 0 1000.00 -999 ? >SER^E 69 51.21 -13.28 88.07 52.19 -11.08 88.32 51.70 -12.18 88.20 2 0 1000.00 -999 ? >VAL^E 70 52.67 -16.39 86.42 51.22 -17.51 85.19 51.95 -16.95 85.80 3 0 1000.00 -999 ? >ASN^E 71 57.05 -17.64 87.23 56.69 -18.86 88.93 56.87 -18.25 88.08 2 0 1000.00 -999 ? >VAL^E 72 57.48 -21.14 84.55 57.55 -21.56 82.40 57.52 -21.35 83.47 3 0 1000.00 -999 ? >GLY.E 73 58.87 -23.61 87.08 58.72 -22.90 87.27 58.80 -23.25 87.17 1 0 1000.00 -999 ? >LYS.E 74 59.60 -21.02 89.79 63.30 -19.49 86.23 61.45 -20.25 88.01 2 0 1000.00 -999 ? >GLY.E 75 58.08 -20.87 93.25 57.88 -20.37 92.57 57.98 -20.62 92.91 1 0 1000.00 -999 ? >GLY.E 76 54.53 -19.63 93.74 54.66 -20.23 94.31 54.59 -19.93 94.02 1 0 1000.00 -999 ? >ASP.E 77 50.29 -18.73 95.90 51.14 -16.89 96.46 50.71 -17.81 96.18 2 0 1000.00 -999 ? >ILE^E 78 48.51 -22.28 93.11 47.46 -22.25 92.26 47.98 -22.27 92.68 3 0 1000.00 -999 ? >LYS^E 79 51.67 -25.07 91.35 57.27 -28.07 91.67 54.47 -26.57 91.51 2 0 1000.00 -999 ? >LEU^E 80 49.77 -26.03 87.07 48.51 -26.73 85.45 49.14 -26.38 86.26 3 0 1000.00 -999 ? >PHE^E 81 52.03 -31.12 89.73 53.70 -30.37 91.85 52.87 -30.75 90.79 3 0 1000.00 -999 ? >LEU^E 82 50.58 -30.51 82.94 49.49 -30.18 81.11 50.04 -30.35 82.03 3 0 1000.00 -999 ? >GLN^E 83 50.19 -37.65 82.66 49.40 -39.30 83.76 49.79 -38.48 83.21 2 0 1000.00 -999 ? >LYS.E 84 50.31 -35.00 78.76 54.47 -32.73 78.56 52.39 -33.86 78.66 2 0 1000.00 -999 ? >GLY.E 85 49.27 -37.57 76.16 48.81 -36.79 76.13 49.04 -37.18 76.15 1 0 1000.00 -999 ? >GLU.E 86 45.56 -40.40 74.16 45.38 -42.00 72.80 45.47 -41.20 73.48 2 0 1000.00 -999 ? >ILE.E 87 43.48 -38.14 78.14 42.33 -38.81 78.46 42.90 -38.47 78.30 3 0 1000.00 -999 ? >TYR^E 88 46.94 -32.41 78.11 48.83 -31.67 76.18 47.89 -32.04 77.14 3 0 1000.00 -999 ? >VAL^E 89 45.47 -34.41 83.30 45.31 -36.34 84.29 45.39 -35.38 83.80 3 0 1000.00 -999 ? >LEU^E 90 45.00 -29.95 84.91 44.61 -29.20 82.94 44.81 -29.58 83.93 3 0 1000.00 -999 ? >GLU^E 91 46.85 -32.58 91.10 48.01 -34.20 91.82 47.43 -33.39 91.46 2 0 1000.00 -999 ? >PHE^E 92 45.29 -26.48 90.00 44.52 -25.54 87.48 44.91 -26.01 88.74 3 0 1000.00 -999 ? >GLN^E 93 49.52 -30.38 94.36 51.17 -31.73 94.29 50.35 -31.05 94.32 2 0 1000.00 -999 ? >PRO.E 94 48.49 -25.09 98.38 48.30 -26.58 96.73 48.40 -25.84 97.56 3 0 1000.00 -999 ? >LEU.E 95 43.86 -27.33 94.98 42.63 -25.93 93.88 43.25 -26.63 94.43 3 0 1000.00 -999 ? >SER~E 96 41.95 -29.28 99.01 40.99 -27.64 100.49 41.47 -28.46 99.75 2 0 1000.00 -999 ? >GLU~E 97 38.62 -33.30 98.77 37.31 -34.95 98.82 37.97 -34.13 98.80 2 0 1000.00 -999 ? >THR~E 98 37.08 -27.67 100.03 36.70 -27.13 102.09 36.89 -27.40 101.06 2 0 1000.00 -999 ? >ASP~E 99 40.75 -25.50 97.58 41.90 -24.94 99.27 41.32 -25.22 98.43 2 0 1000.00 -999 ? >ILE~E 100 37.99 -28.82 94.58 38.43 -29.95 93.81 38.21 -29.39 94.19 3 0 1000.00 -999 ? >LYS~E 101 34.48 -26.70 96.40 30.37 -28.33 99.50 32.43 -27.51 97.95 2 0 1000.00 -999 ? >LYS~E 102 35.03 -22.94 96.63 37.90 -21.97 102.20 36.47 -22.46 99.41 2 0 1000.00 -999 ? >LEU~E 103 37.81 -23.63 92.71 39.24 -23.06 91.20 38.53 -23.34 91.96 3 0 1000.00 -999 ? >GLU~E 104 34.41 -26.96 91.05 33.82 -28.98 91.06 34.11 -27.97 91.05 2 0 1000.00 -999 ? >SER~E 105 31.24 -22.29 93.28 30.15 -21.17 95.14 30.69 -21.73 94.21 2 0 1000.00 -999 ? >ILE~E 106 34.33 -18.79 91.99 35.31 -17.94 92.54 34.82 -18.37 92.26 3 0 1000.00 -999 ? >LEU~E 107 33.93 -22.28 88.08 35.70 -22.46 86.87 34.81 -22.37 87.48 3 0 1000.00 -999 ? >PHE~E 108 30.09 -24.36 87.73 31.94 -26.15 86.60 31.02 -25.26 87.17 3 0 1000.00 -999 ? >GLY.E 109 28.02 -19.05 90.13 28.17 -19.02 89.31 28.10 -19.03 89.72 1 0 1000.00 -999 ? >ARG.E 110 22.46 -15.45 90.69 20.10 -13.66 89.89 21.28 -14.55 90.29 2 0 1000.00 -999 ? >ALA.E 111 27.79 -13.86 90.00 28.53 -13.82 91.36 28.16 -13.84 90.68 2 0 1000.00 -999 ? >PRO.E 112 28.16 -10.90 87.10 29.55 -12.55 87.88 28.85 -11.73 87.49 3 0 1000.00 -999 ? >ILE.E 113 34.58 -14.32 87.44 35.28 -15.57 87.63 34.93 -14.94 87.54 3 0 1000.00 -999 ? >PRO.E 114 34.41 -9.53 90.38 35.08 -10.34 88.39 34.74 -9.93 89.39 3 0 1000.00 -999 ? >LYS.E 115 38.20 -8.98 85.74 35.16 -11.45 81.79 36.68 -10.22 83.76 2 0 1000.00 -999 ? >LYS.E 116 41.08 -6.54 86.19 42.51 -7.11 91.32 41.79 -6.82 88.75 2 0 1000.00 -999 ? >THR~E 117 42.31 -4.18 83.46 40.40 -3.20 83.14 41.35 -3.69 83.30 2 0 1000.00 -999 ? >GLY~E 118 45.21 -1.83 82.76 45.22 -2.59 83.06 45.21 -2.21 82.91 1 0 1000.00 -999 ? >GLU~E 119 48.47 -0.24 86.70 49.68 1.36 87.36 49.07 0.56 87.03 2 0 1000.00 -999 ? >ASP~E 120 44.77 -3.85 88.02 44.67 -1.88 88.80 44.72 -2.87 88.41 2 0 1000.00 -999 ? >ILE~E 121 46.29 -7.22 83.67 45.65 -7.70 82.47 45.97 -7.46 83.07 3 0 1000.00 -999 ? >GLY.E 122 49.20 -9.68 86.26 49.07 -9.44 85.52 49.13 -9.56 85.89 1 0 1000.00 -999 ? >SER.E 123 52.49 -10.41 84.52 54.19 -10.24 86.22 53.34 -10.33 85.37 2 0 1000.00 -999 ? >PHE^E 124 53.74 -15.44 81.33 54.26 -18.14 80.78 54.00 -16.79 81.05 3 0 1000.00 -999 ? >CSS.E 126 59.22 -17.35 81.06 58.51 -17.20 78.29 58.87 -17.28 79.68 2 0 1000.00 -999 ? >ALA.F 3 79.89 24.19 67.65 80.06 25.24 68.75 79.97 24.72 68.20 2 0 1000.00 -999 ? >ILE.F 4 75.78 23.86 65.31 75.48 22.52 65.04 75.63 23.19 65.18 3 0 1000.00 -999 ? >PHE.F 5 73.38 24.59 70.07 71.67 22.39 69.68 72.53 23.49 69.88 3 0 1000.00 -999 ? >THR.F 6 74.68 30.33 69.11 72.90 31.09 68.14 73.79 30.71 68.62 2 0 1000.00 -999 ? >HIS.F 7 75.70 34.60 71.60 74.87 36.19 70.50 75.29 35.40 71.05 3 0 1000.00 -999 ? >GLU.F 8 71.28 34.43 71.22 69.95 35.57 70.01 70.62 35.00 70.61 2 0 1000.00 -999 ? >GLY.F 9 71.27 28.47 72.74 71.07 28.90 72.09 71.17 28.68 72.41 1 0 1000.00 -999 ? >LYS.F 10 69.86 28.05 69.23 65.66 32.67 70.17 67.76 30.36 69.70 2 0 1000.00 -999 ? >VAL^F 11 70.79 26.71 65.80 71.31 24.63 65.36 71.05 25.67 65.58 3 0 1000.00 -999 ? >GLU^F 12 69.82 30.97 64.49 69.86 33.07 64.81 69.84 32.02 64.65 2 0 1000.00 -999 ? >GLY^F 13 70.75 28.84 59.11 69.96 28.96 59.23 70.35 28.90 59.17 1 0 1000.00 -999 ? >VAL.F 14 69.31 28.76 55.62 69.62 30.06 53.89 69.46 29.41 54.75 3 0 1000.00 -999 ? >PRO.F 15 65.52 26.64 55.63 67.63 26.21 55.04 66.57 26.43 55.34 3 0 1000.00 -999 ? >GLY.F 16 69.72 23.39 52.69 70.07 23.84 53.28 69.90 23.61 52.98 1 0 1000.00 -999 ? >ASN.F 17 72.96 26.71 53.64 73.06 27.39 51.61 73.01 27.05 52.63 2 0 1000.00 -999 ? >TYR.F 18 77.25 23.28 57.84 78.35 22.66 60.34 77.80 22.97 59.09 3 0 1000.00 -999 ? >PRO.F 19 73.79 25.18 61.10 74.45 24.16 59.21 74.12 24.67 60.15 3 0 1000.00 -999 ? >LEU.F 20 69.90 24.06 57.90 69.41 25.09 59.74 69.65 24.57 58.82 3 0 1000.00 -999 ? >THR~F 21 71.75 20.43 55.21 73.89 20.30 54.97 72.82 20.36 55.09 2 0 1000.00 -999 ? >ALA~F 22 69.82 17.14 55.10 69.31 16.45 53.84 69.56 16.80 54.47 2 0 1000.00 -999 ? >GLU~F 23 75.57 14.74 55.61 75.40 12.65 55.40 75.49 13.69 55.50 2 0 1000.00 -999 ? >ASN~F 24 74.36 18.91 58.91 75.45 19.45 60.66 74.91 19.18 59.78 2 0 1000.00 -999 ? >LEU~F 25 69.09 18.10 59.42 68.44 20.16 59.45 68.77 19.13 59.43 3 0 1000.00 -999 ? >PHE~F 26 70.82 11.48 59.07 71.13 8.76 59.66 70.97 10.12 59.36 3 0 1000.00 -999 ? >ARG~F 27 77.26 14.39 62.01 79.19 12.26 63.09 78.22 13.32 62.55 2 0 1000.00 -999 ? >ILE~F 28 71.39 17.68 64.28 71.38 19.12 64.47 71.38 18.40 64.37 3 0 1000.00 -999 ? >GLY~F 29 68.88 14.08 65.00 69.68 13.86 65.04 69.28 13.97 65.02 1 0 1000.00 -999 ? >LEU~F 30 72.02 10.50 64.34 72.56 8.55 63.60 72.29 9.52 63.97 3 0 1000.00 -999 ? >ALA~F 31 73.14 12.70 68.04 74.13 13.85 67.76 73.63 13.28 67.90 2 0 1000.00 -999 ? >LEU~F 32 69.10 15.04 69.42 67.97 16.57 70.45 68.54 15.80 69.94 3 0 1000.00 -999 ? >CYH~F 33 68.57 10.73 70.33 67.40 8.27 69.68 67.98 9.50 70.00 2 0 1000.00 -999 ? >THR~F 34 71.91 9.15 71.21 73.60 8.52 70.03 72.75 8.84 70.62 2 0 1000.00 -999 ? >LEU~F 35 72.44 13.30 73.69 73.11 14.79 75.11 72.78 14.05 74.40 3 0 1000.00 -999 ? >TRP~F 36 65.99 12.38 76.44 67.62 15.91 75.80 66.81 14.15 76.12 3 0 1000.00 -999 ? >ILE~F 37 69.85 6.34 74.22 69.46 5.26 73.35 69.66 5.80 73.78 3 0 1000.00 -999 ? >LEU~F 38 74.46 7.61 75.95 75.35 6.17 74.58 74.90 6.89 75.27 3 0 1000.00 -999 ? >ASP~F 39 73.60 11.95 78.57 73.87 13.34 80.18 73.74 12.65 79.38 2 0 1000.00 -999 ? >LYS.F 40 69.58 10.76 80.10 70.71 15.57 79.29 70.14 13.17 79.69 2 0 1000.00 -999 ? >GLU.F 41 70.94 6.87 82.01 71.43 6.26 83.98 71.19 6.56 83.00 2 0 1000.00 -999 ? >ILE.F 42 65.19 8.35 77.89 64.09 9.33 78.09 64.64 8.84 77.99 3 0 1000.00 -999 ? >GLU.F 43 66.36 2.06 77.83 68.44 2.37 77.55 67.40 2.21 77.69 2 0 1000.00 -999 ? >GLU.F 44 62.62 2.61 73.29 60.99 1.26 73.20 61.80 1.93 73.24 2 0 1000.00 -999 ? >PRO.F 45 65.55 8.66 72.85 63.52 8.17 73.62 64.54 8.42 73.23 3 0 1000.00 -999 ? >THR^F 46 60.66 10.90 71.86 59.02 10.40 73.18 59.84 10.65 72.52 2 0 1000.00 -999 ? >LEU^F 47 62.04 14.23 68.82 63.01 16.04 68.06 62.53 15.14 68.44 3 0 1000.00 -999 ? >SER^F 48 58.04 16.48 69.26 56.75 16.03 71.28 57.39 16.26 70.27 2 0 1000.00 -999 ? >ILE^F 49 58.79 18.17 64.81 59.14 17.12 63.88 58.97 17.64 64.35 3 0 1000.00 -999 ? >PRO.F 50 57.90 22.93 65.19 56.53 21.25 65.67 57.22 22.09 65.43 3 0 1000.00 -999 ? >GLU.F 51 56.60 23.18 61.09 56.42 25.19 60.42 56.51 24.19 60.76 2 0 1000.00 -999 ? >THR.F 52 56.42 19.02 58.86 54.75 17.67 58.64 55.59 18.35 58.75 2 0 1000.00 -999 ? >ASN~F 53 59.11 22.04 56.62 60.15 22.62 58.38 59.63 22.33 57.50 2 0 1000.00 -999 ? >PHE~F 54 64.59 20.21 53.79 67.29 19.57 53.42 65.94 19.89 53.60 3 0 1000.00 -999 ? >VAL~F 55 64.23 20.78 58.29 65.16 22.64 58.90 64.69 21.71 58.59 3 0 1000.00 -999 ? >THR~F 56 61.98 19.08 60.86 60.07 20.06 60.90 61.03 19.57 60.88 2 0 1000.00 -999 ? >LEU~F 57 60.98 15.73 57.49 58.83 15.42 57.47 59.91 15.58 57.48 3 0 1000.00 -999 ? >ALA~F 58 65.48 15.63 58.07 66.36 16.70 57.43 65.92 16.16 57.75 2 0 1000.00 -999 ? >LEU~F 59 65.48 17.21 62.63 66.26 17.92 64.52 65.87 17.57 63.58 3 0 1000.00 -999 ? >SER~F 60 63.30 13.35 62.46 61.24 14.61 62.56 62.27 13.98 62.51 2 0 1000.00 -999 ? >VAL~F 61 64.91 10.78 60.15 65.13 10.42 58.00 65.02 10.60 59.08 3 0 1000.00 -999 ? >GLY~F 62 68.13 11.01 62.16 67.35 10.92 62.44 67.74 10.96 62.30 1 0 1000.00 -999 ? >PHE~F 63 64.96 11.79 67.41 64.64 11.83 70.19 64.80 11.81 68.80 3 0 1000.00 -999 ? >MET~F 64 64.47 7.63 64.32 61.02 8.15 61.98 62.74 7.89 63.15 2 0 1000.00 -999 ? >ASN~F 65 68.58 6.72 61.86 69.60 5.34 60.57 69.09 6.03 61.21 2 0 1000.00 -999 ? >ALA~F 66 69.18 6.14 66.36 69.79 7.41 66.95 69.49 6.78 66.66 2 0 1000.00 -999 ? >GLY.F 67 66.20 4.49 68.03 66.10 5.26 67.90 66.15 4.87 67.97 1 0 1000.00 -999 ? >GLY.F 68 63.95 7.42 68.87 63.83 7.05 68.15 63.89 7.23 68.51 1 0 1000.00 -999 ? >SER^F 69 60.37 8.20 67.89 59.61 5.93 68.32 59.99 7.07 68.10 2 0 1000.00 -999 ? >VAL^F 70 58.83 11.45 66.70 60.19 12.71 65.50 59.51 12.08 66.10 3 0 1000.00 -999 ? >ASN^F 71 54.56 12.73 67.93 54.73 14.13 69.52 54.65 13.43 68.73 2 0 1000.00 -999 ? >VAL^F 72 54.03 16.30 65.26 53.66 16.93 63.22 53.84 16.61 64.24 3 0 1000.00 -999 ? >GLY.F 73 52.74 18.27 68.19 53.55 18.10 68.30 53.14 18.18 68.24 1 0 1000.00 -999 ? >LYS.F 74 53.82 17.95 71.79 49.99 22.53 72.93 51.90 20.24 72.36 2 0 1000.00 -999 ? >GLY.F 75 54.55 15.68 74.74 55.16 15.84 74.32 54.85 15.76 74.53 1 0 1000.00 -999 ? >GLY.F 76 58.00 14.34 73.90 57.88 14.89 74.44 57.94 14.61 74.17 1 0 1000.00 -999 ? >ASP.F 77 62.08 12.90 76.08 61.18 11.08 76.63 61.63 11.99 76.36 2 0 1000.00 -999 ? >ILE^F 78 63.91 16.35 73.18 64.46 16.90 72.91 64.19 16.63 73.05 3 0 1000.00 -999 ? >LYS^F 79 60.56 19.37 71.94 55.11 22.61 72.59 57.84 20.99 72.27 2 0 1000.00 -999 ? >LEU^F 80 61.88 20.81 67.57 63.04 21.82 66.03 62.46 21.32 66.80 3 0 1000.00 -999 ? >PHE^F 81 60.12 25.68 71.03 58.66 24.94 73.30 59.39 25.31 72.16 3 0 1000.00 -999 ? >LEU^F 82 60.86 25.49 63.99 61.75 25.38 62.02 61.30 25.44 63.00 3 0 1000.00 -999 ? >GLN^F 83 61.63 31.60 65.74 62.88 33.19 66.44 62.25 32.39 66.09 2 0 1000.00 -999 ? >LYS.F 84 60.83 30.06 59.92 55.91 27.34 58.52 58.37 28.70 59.22 2 0 1000.00 -999 ? >GLY.F 85 61.76 32.60 57.27 62.20 31.87 57.23 61.98 32.23 57.25 1 0 1000.00 -999 ? >GLU.F 86 66.71 34.58 54.00 67.30 36.49 53.29 67.00 35.54 53.64 2 0 1000.00 -999 ? >ILE.F 87 67.94 33.20 59.01 69.26 32.92 58.40 68.60 33.06 58.70 3 0 1000.00 -999 ? >TYR^F 88 64.30 27.49 58.97 62.28 26.75 57.19 63.29 27.12 58.08 3 0 1000.00 -999 ? >VAL^F 89 65.99 29.36 64.11 66.19 31.30 65.08 66.09 30.33 64.60 3 0 1000.00 -999 ? >LEU^F 90 66.57 24.80 65.40 66.76 24.14 63.36 66.67 24.47 64.38 3 0 1000.00 -999 ? >GLU^F 91 65.16 27.12 71.87 63.88 28.50 72.85 64.52 27.81 72.36 2 0 1000.00 -999 ? >PHE^F 92 66.63 21.07 70.22 67.07 20.34 67.54 66.85 20.70 68.88 3 0 1000.00 -999 ? >GLN^F 93 62.83 24.46 75.25 64.42 25.14 76.50 63.62 24.80 75.88 2 0 1000.00 -999 ? >PRO.F 94 64.26 18.74 78.61 64.35 20.44 77.19 64.31 19.59 77.90 3 0 1000.00 -999 ? >LEU.F 95 68.58 21.49 74.99 70.02 20.57 73.66 69.30 21.03 74.33 3 0 1000.00 -999 ? >SER~F 96 70.84 22.88 79.05 72.13 21.22 80.27 71.48 22.05 79.66 2 0 1000.00 -999 ? >GLU~F 97 73.72 26.86 78.91 74.54 28.74 79.44 74.13 27.80 79.18 2 0 1000.00 -999 ? >THR~F 98 75.96 21.36 79.48 75.53 21.09 81.58 75.75 21.22 80.53 2 0 1000.00 -999 ? >ASP~F 99 72.11 19.33 77.22 71.21 18.61 78.99 71.66 18.97 78.11 2 0 1000.00 -999 ? >ILE~F 100 74.42 22.96 74.15 73.94 24.16 73.45 74.18 23.56 73.80 3 0 1000.00 -999 ? >LYS~F 101 78.26 20.80 74.95 83.31 20.95 78.41 80.79 20.88 76.68 2 0 1000.00 -999 ? >LYS~F 102 77.61 17.06 75.24 75.82 15.45 81.04 76.71 16.25 78.14 2 0 1000.00 -999 ? >LEU~F 103 74.32 17.94 71.80 72.78 17.50 70.35 73.55 17.72 71.07 3 0 1000.00 -999 ? >GLU~F 104 77.46 21.41 70.13 77.91 23.45 70.42 77.68 22.43 70.27 2 0 1000.00 -999 ? >SER~F 105 80.94 16.69 71.46 82.34 15.54 73.08 81.64 16.11 72.27 2 0 1000.00 -999 ? >ILE~F 106 77.66 13.32 70.19 76.77 12.35 70.72 77.21 12.83 70.46 3 0 1000.00 -999 ? >LEU~F 107 77.56 17.11 66.53 75.50 17.35 65.93 76.53 17.23 66.23 3 0 1000.00 -999 ? >PHE~F 108 81.65 19.41 65.85 80.11 21.46 64.70 80.88 20.44 65.28 3 0 1000.00 -999 ? >GLY~F 109 83.53 13.75 67.38 83.20 13.85 66.61 83.37 13.80 66.99 1 0 1000.00 -999 ? >ARG.F 110 88.99 10.59 65.94 91.57 9.21 66.83 90.28 9.90 66.39 2 0 1000.00 -999 ? >ALA.F 111 83.83 8.52 66.76 83.60 8.42 68.28 83.72 8.47 67.52 2 0 1000.00 -999 ? >PRO.F 112 82.63 5.36 64.13 81.61 7.12 65.06 82.12 6.24 64.60 3 0 1000.00 -999 ? >ILE.F 113 76.66 9.02 65.68 76.18 10.33 66.04 76.42 9.67 65.86 3 0 1000.00 -999 ? >PRO.F 114 77.11 4.02 68.20 76.21 4.89 66.34 76.66 4.45 67.27 3 0 1000.00 -999 ? >LYS.F 115 72.81 3.67 63.99 75.52 6.55 60.03 74.17 5.11 62.01 2 0 1000.00 -999 ? >LYS.F 116 70.00 1.22 64.69 70.12 1.08 70.11 70.06 1.15 67.40 2 0 1000.00 -999 ? >THR~F 117 68.30 -0.86 62.00 70.13 -1.89 61.41 69.22 -1.37 61.70 2 0 1000.00 -999 ? >GLY~F 118 65.29 -3.07 61.36 65.35 -2.39 61.79 65.32 -2.73 61.57 1 0 1000.00 -999 ? >GLU~F 119 63.30 -5.24 65.65 62.53 -6.95 66.68 62.92 -6.09 66.17 2 0 1000.00 -999 ? >ASP~F 120 66.40 -1.26 66.61 66.63 -3.15 67.56 66.52 -2.21 67.09 2 0 1000.00 -999 ? >ILE~F 121 64.48 2.28 62.63 65.03 2.81 61.42 64.76 2.54 62.02 3 0 1000.00 -999 ? >GLY.F 122 61.87 4.60 65.66 61.90 4.40 64.90 61.89 4.50 65.28 1 0 1000.00 -999 ? >SER.F 123 58.41 5.55 64.40 56.94 5.42 66.31 57.67 5.49 65.35 2 0 1000.00 -999 ? >PHE^F 124 57.05 10.78 61.60 56.54 13.50 61.19 56.79 12.14 61.39 3 0 1000.00 -999 ? >LYS^F 125 53.30 10.00 64.06 53.98 5.29 65.54 53.64 7.64 64.80 2 0 1000.00 -999 ? >CSS.F 126 51.65 12.82 62.09 52.08 12.91 59.24 51.87 12.87 60.67 2 0 1000.00 -999 ? >ALA.G 3 77.10 -35.75 65.88 76.99 -35.26 67.32 77.04 -35.50 66.60 2 0 1000.00 -999 ? >ILE.G 4 73.92 -34.68 62.57 73.78 -35.77 61.71 73.85 -35.22 62.14 3 0 1000.00 -999 ? >PHE.G 5 70.11 -35.57 66.48 68.41 -37.29 65.03 69.26 -36.43 65.75 3 0 1000.00 -999 ? >THR.G 6 71.54 -30.27 68.43 70.01 -29.02 67.57 70.77 -29.65 68.00 2 0 1000.00 -999 ? >HIS.G 7 71.76 -27.73 72.92 71.00 -25.78 72.76 71.38 -26.75 72.84 3 0 1000.00 -999 ? >GLU.G 8 67.63 -27.13 71.49 66.57 -25.53 70.58 67.10 -26.33 71.04 2 0 1000.00 -999 ? >GLY.G 9 67.49 -33.10 70.20 67.41 -32.42 69.78 67.45 -32.76 69.99 1 0 1000.00 -999 ? >LYS.G 10 66.84 -31.98 66.62 63.27 -29.57 69.72 65.05 -30.77 68.17 2 0 1000.00 -999 ? >VAL^G 11 68.45 -31.92 63.20 69.10 -33.66 62.06 68.77 -32.79 62.63 3 0 1000.00 -999 ? >GLU^G 12 67.60 -27.24 63.69 67.60 -25.38 64.74 67.60 -26.31 64.22 2 0 1000.00 -999 ? >GLY^G 13 69.82 -27.08 58.35 69.00 -27.01 58.32 69.41 -27.05 58.34 1 0 1000.00 -999 ? >VAL.G 14 69.13 -25.83 54.85 69.79 -24.00 53.87 69.46 -24.92 54.36 3 0 1000.00 -999 ? >PRO.G 15 65.43 -27.50 53.22 67.62 -27.86 53.00 66.52 -27.68 53.11 3 0 1000.00 -999 ? >GLY.G 16 70.12 -29.76 50.17 70.34 -29.65 50.95 70.23 -29.70 50.56 1 0 1000.00 -999 ? >ASN.G 17 73.40 -27.38 52.63 73.53 -26.21 50.85 73.46 -26.80 51.74 2 0 1000.00 -999 ? >TYR.G 18 76.66 -32.11 56.32 77.18 -33.83 58.47 76.92 -32.97 57.40 3 0 1000.00 -999 ? >PRO.G 19 72.51 -31.34 59.18 73.52 -31.62 57.23 73.01 -31.48 58.21 3 0 1000.00 -999 ? >LEU.G 20 69.29 -31.07 55.12 68.07 -30.90 56.89 68.68 -30.99 56.01 3 0 1000.00 -999 ? >THR~G 21 71.87 -33.42 51.70 73.96 -33.86 51.98 72.91 -33.64 51.84 2 0 1000.00 -999 ? >ALA~G 22 69.92 -36.22 50.03 69.69 -36.38 48.54 69.81 -36.30 49.28 2 0 1000.00 -999 ? >GLU~G 23 73.82 -38.66 48.56 75.54 -38.32 47.39 74.68 -38.49 47.97 2 0 1000.00 -999 ? >ASN~G 24 73.56 -36.52 55.15 74.06 -36.73 57.23 73.81 -36.63 56.19 2 0 1000.00 -999 ? >LEU~G 25 68.23 -37.10 54.16 67.53 -35.20 54.95 67.88 -36.15 54.56 3 0 1000.00 -999 ? >PHE~G 26 70.37 -43.10 51.63 71.05 -45.78 51.20 70.71 -44.44 51.41 3 0 1000.00 -999 ? >ARG~G 27 75.60 -41.72 54.89 76.55 -44.35 56.14 76.07 -43.04 55.52 2 0 1000.00 -999 ? >ILE~G 28 69.39 -39.52 58.91 69.32 -38.26 59.55 69.35 -38.89 59.23 3 0 1000.00 -999 ? >GLY~G 29 66.90 -42.99 57.47 67.68 -43.26 57.63 67.29 -43.12 57.55 1 0 1000.00 -999 ? >LEU~G 30 70.31 -46.28 56.44 70.74 -47.27 54.58 70.52 -46.77 55.51 3 0 1000.00 -999 ? >ALA~G 31 70.36 -45.56 60.72 71.24 -44.37 61.09 70.80 -44.96 60.90 2 0 1000.00 -999 ? >LEU~G 32 66.02 -43.71 61.78 64.55 -42.73 63.00 65.29 -43.22 62.39 3 0 1000.00 -999 ? >CYH~G 33 65.45 -48.00 60.91 64.47 -49.91 59.12 64.96 -48.95 60.01 2 0 1000.00 -999 ? >THR~G 34 68.52 -50.02 61.92 70.46 -50.30 61.00 69.49 -50.16 61.46 2 0 1000.00 -999 ? >LEU~G 35 68.27 -47.16 65.85 68.68 -46.32 67.80 68.47 -46.74 66.83 3 0 1000.00 -999 ? >TRP~G 36 61.40 -48.81 66.36 62.94 -45.48 67.78 62.17 -47.15 67.07 3 0 1000.00 -999 ? >ILE~G 37 65.97 -53.68 63.02 65.85 -54.34 61.74 65.91 -54.01 62.38 3 0 1000.00 -999 ? >LEU~G 38 69.95 -53.50 66.08 70.97 -54.47 64.42 70.46 -53.99 65.25 3 0 1000.00 -999 ? >ASP~G 39 68.44 -50.29 69.82 68.61 -49.65 71.84 68.52 -49.97 70.83 2 0 1000.00 -999 ? >LYS.G 40 64.21 -51.73 69.98 65.60 -47.06 72.05 64.90 -49.40 71.02 2 0 1000.00 -999 ? >GLU.G 41 65.01 -56.46 70.46 64.67 -57.41 72.32 64.84 -56.93 71.39 2 0 1000.00 -999 ? >ILE.G 42 60.48 -52.89 66.07 59.35 -52.06 66.40 59.91 -52.48 66.24 3 0 1000.00 -999 ? >GLU.G 43 62.17 -58.79 63.67 61.82 -60.83 63.15 62.00 -59.81 63.41 2 0 1000.00 -999 ? >GLU.G 44 59.10 -56.46 59.46 57.64 -57.52 58.34 58.37 -56.99 58.90 2 0 1000.00 -999 ? >PRO.G 45 61.87 -50.52 61.52 59.81 -51.33 61.66 60.84 -50.92 61.59 3 0 1000.00 -999 ? >THR^G 46 57.30 -48.01 60.53 55.41 -48.94 61.03 56.35 -48.47 60.78 2 0 1000.00 -999 ? >LEU^G 47 59.31 -43.88 59.45 60.19 -41.91 59.43 59.75 -42.90 59.44 3 0 1000.00 -999 ? >SER^G 48 55.28 -41.71 59.83 53.30 -40.51 60.50 54.29 -41.11 60.17 2 0 1000.00 -999 ? >ILE^G 49 56.95 -38.52 56.69 57.56 -39.25 55.58 57.25 -38.89 56.13 3 0 1000.00 -999 ? >PRO.G 50 55.90 -34.11 58.57 54.51 -35.78 58.07 55.21 -34.95 58.32 3 0 1000.00 -999 ? >GLU.G 51 55.46 -32.29 54.53 55.41 -30.23 54.05 55.43 -31.26 54.29 2 0 1000.00 -999 ? >THR.G 52 56.03 -35.30 51.08 54.49 -36.29 49.94 55.26 -35.80 50.51 2 0 1000.00 -999 ? >ASN~G 53 59.00 -31.74 51.11 59.51 -32.00 53.17 59.25 -31.87 52.14 2 0 1000.00 -999 ? >PHE~G 54 65.06 -32.58 49.04 67.78 -33.26 49.01 66.42 -32.92 49.02 3 0 1000.00 -999 ? >VAL~G 55 63.67 -33.82 53.15 64.32 -32.45 54.72 63.99 -33.13 53.94 3 0 1000.00 -999 ? >THR~G 56 60.99 -36.33 54.23 59.08 -35.35 54.25 60.03 -35.84 54.24 2 0 1000.00 -999 ? >LEU~G 57 60.88 -38.06 49.68 58.83 -38.16 48.98 59.86 -38.11 49.33 3 0 1000.00 -999 ? >ALA~G 58 65.09 -38.71 51.22 66.08 -37.54 51.24 65.58 -38.12 51.23 2 0 1000.00 -999 ? >LEU~G 59 64.07 -39.01 55.96 64.29 -39.42 58.08 64.18 -39.22 57.02 3 0 1000.00 -999 ? >SER~G 60 61.98 -42.22 53.72 59.93 -40.91 53.78 60.96 -41.57 53.75 2 0 1000.00 -999 ? >VAL~G 61 64.16 -43.82 51.03 64.86 -43.26 49.05 64.51 -43.54 50.04 3 0 1000.00 -999 ? >GLY~G 62 66.85 -44.66 53.59 66.02 -44.77 53.67 66.44 -44.71 53.63 1 0 1000.00 -999 ? >PHE~G 63 62.57 -45.74 57.94 61.47 -46.85 60.28 62.02 -46.30 59.11 3 0 1000.00 -999 ? >MET~G 64 62.85 -48.22 53.46 60.13 -46.46 50.82 61.49 -47.34 52.14 2 0 1000.00 -999 ? >ASN~G 65 67.39 -48.48 51.84 68.73 -49.31 50.39 68.06 -48.90 51.11 2 0 1000.00 -999 ? >ALA~G 66 66.94 -50.81 55.73 67.31 -49.92 56.92 67.13 -50.36 56.33 2 0 1000.00 -999 ? >GLY.G 67 63.71 -52.80 55.88 63.60 -52.03 56.02 63.65 -52.41 55.95 1 0 1000.00 -999 ? >GLY.G 68 61.30 -50.27 57.37 61.38 -50.32 56.56 61.34 -50.29 56.96 1 0 1000.00 -999 ? >SER^G 69 58.02 -49.03 55.90 56.43 -50.32 57.19 57.23 -49.67 56.54 2 0 1000.00 -999 ? >VAL^G 70 56.73 -45.47 55.68 58.28 -43.97 55.32 57.51 -44.72 55.50 3 0 1000.00 -999 ? >ASN^G 71 52.29 -44.46 56.47 52.43 -44.05 58.55 52.36 -44.26 57.51 2 0 1000.00 -999 ? >VAL^G 72 52.26 -40.10 55.40 52.61 -38.76 53.71 52.43 -39.43 54.55 3 0 1000.00 -999 ? >GLY.G 73 49.93 -39.04 58.21 50.41 -39.49 58.50 50.17 -39.27 58.36 1 0 1000.00 -999 ? >LYS.G 74 50.64 -40.91 61.47 48.04 -39.66 67.14 49.34 -40.28 64.31 2 0 1000.00 -999 ? >GLY.G 75 50.85 -44.35 62.97 51.63 -43.74 62.87 51.24 -44.05 62.92 1 0 1000.00 -999 ? >GLY.G 76 54.30 -45.88 63.06 53.93 -45.79 63.70 54.12 -45.83 63.38 1 0 1000.00 -999 ? >ASP.G 77 57.85 -47.89 65.50 56.86 -49.69 65.02 57.36 -48.79 65.26 2 0 1000.00 -999 ? >ILE^G 78 60.00 -43.51 64.31 61.29 -43.75 64.26 60.64 -43.63 64.28 3 0 1000.00 -999 ? >LYS^G 79 57.01 -40.15 63.95 51.50 -37.15 64.85 54.26 -38.65 64.40 2 0 1000.00 -999 ? >LEU^G 80 59.36 -37.33 60.85 60.78 -35.87 60.10 60.07 -36.60 60.48 3 0 1000.00 -999 ? >PHE^G 81 56.57 -34.02 65.36 54.51 -35.38 66.70 55.54 -34.70 66.03 3 0 1000.00 -999 ? >LEU^G 82 58.97 -31.53 59.35 60.26 -31.04 57.70 59.62 -31.28 58.53 3 0 1000.00 -999 ? >GLN^G 83 59.24 -25.03 62.34 57.17 -24.61 62.02 58.21 -24.82 62.18 2 0 1000.00 -999 ? >LYS.G 84 59.88 -25.74 57.56 55.54 -27.26 55.64 57.71 -26.50 56.60 2 0 1000.00 -999 ? >GLY.G 85 61.29 -22.36 56.57 61.76 -23.04 56.28 61.52 -22.70 56.42 1 0 1000.00 -999 ? >ILE.G 87 66.91 -22.92 59.37 68.26 -23.16 58.99 67.58 -23.04 59.18 3 0 1000.00 -999 ? >TYR^G 88 63.46 -27.84 56.24 61.72 -27.65 54.06 62.59 -27.75 55.15 3 0 1000.00 -999 ? >VAL^G 89 64.06 -28.39 61.84 64.08 -27.09 63.57 64.07 -27.74 62.71 3 0 1000.00 -999 ? >LEU^G 90 64.28 -33.10 61.29 64.89 -32.87 59.24 64.58 -32.99 60.26 3 0 1000.00 -999 ? >GLU^G 91 61.45 -33.60 67.75 59.88 -32.79 68.91 60.66 -33.20 68.33 2 0 1000.00 -999 ? >PHE^G 92 63.37 -38.51 64.16 64.24 -38.32 61.51 63.81 -38.41 62.83 3 0 1000.00 -999 ? >PRO.G 94 59.22 -43.16 70.84 59.59 -41.16 69.92 59.41 -42.16 70.38 3 0 1000.00 -999 ? >LEU.G 95 64.16 -39.96 69.07 65.63 -40.71 67.68 64.90 -40.33 68.38 3 0 1000.00 -999 ? >SER~G 96 65.77 -40.13 73.62 66.75 -42.27 74.24 66.26 -41.20 73.93 2 0 1000.00 -999 ? >GLU~G 97 70.96 -36.84 74.68 71.44 -35.29 76.03 71.20 -36.07 75.36 2 0 1000.00 -999 ? >THR~G 98 70.63 -41.86 74.33 70.86 -43.17 76.03 70.75 -42.52 75.18 2 0 1000.00 -999 ? >ASP~G 99 67.20 -42.90 71.03 65.98 -44.28 72.02 66.59 -43.59 71.52 2 0 1000.00 -999 ? >ILE~G 100 70.02 -38.67 69.83 69.67 -37.30 69.56 69.85 -37.99 69.69 3 0 1000.00 -999 ? >LYS~G 101 73.68 -41.04 70.50 75.27 -36.98 73.94 74.48 -39.01 72.22 2 0 1000.00 -999 ? >LYS~G 102 73.10 -44.67 69.43 70.15 -48.04 73.94 71.63 -46.36 71.69 2 0 1000.00 -999 ? >LEU~G 103 70.54 -42.49 65.93 69.77 -41.54 64.14 70.16 -42.02 65.04 3 0 1000.00 -999 ? >GLU~G 104 74.13 -38.98 66.36 74.64 -37.28 67.51 74.39 -38.13 66.93 2 0 1000.00 -999 ? >SER~G 105 77.10 -44.21 66.52 78.04 -46.04 67.80 77.57 -45.12 67.16 2 0 1000.00 -999 ? >ILE~G 106 74.07 -46.60 63.53 73.04 -47.57 63.47 73.56 -47.08 63.50 3 0 1000.00 -999 ? >LEU~G 107 74.98 -41.85 61.62 73.94 -40.57 60.25 74.46 -41.21 60.93 3 0 1000.00 -999 ? >PHE~G 108 79.02 -39.84 62.63 77.63 -37.45 62.19 78.33 -38.65 62.41 3 0 1000.00 -999 ? >GLY.G 109 80.46 -45.83 62.61 80.45 -45.42 61.86 80.45 -45.62 62.24 1 0 1000.00 -999 ? >ARG.G 110 85.73 -49.08 62.61 87.42 -50.73 64.57 86.57 -49.90 63.59 2 0 1000.00 -999 ? >ALA.G 111 80.88 -50.46 59.94 80.22 -51.23 61.08 80.55 -50.84 60.51 2 0 1000.00 -999 ? >PRO.G 112 79.83 -51.97 56.04 79.37 -50.15 57.23 79.60 -51.06 56.63 3 0 1000.00 -999 ? >ILE.G 113 74.23 -48.50 57.46 73.44 -47.49 58.14 73.83 -48.00 57.80 3 0 1000.00 -999 ? >PRO.G 114 74.28 -53.82 58.51 73.81 -52.52 56.77 74.05 -53.17 57.64 3 0 1000.00 -999 ? >LYS.G 115 70.91 -52.67 53.66 73.24 -49.41 49.28 72.08 -51.04 51.47 2 0 1000.00 -999 ? >LYS.G 116 68.02 -54.79 52.44 65.70 -56.27 57.14 66.86 -55.53 54.79 2 0 1000.00 -999 ? >THR~G 117 67.40 -55.51 48.76 69.27 -56.56 48.46 68.34 -56.03 48.61 2 0 1000.00 -999 ? >GLY~G 118 64.62 -56.67 46.49 64.58 -56.20 47.16 64.60 -56.44 46.82 1 0 1000.00 -999 ? >GLU~G 119 60.07 -58.70 46.39 59.11 -57.00 45.53 59.59 -57.85 45.96 2 0 1000.00 -999 ? >ASP~G 120 64.25 -57.57 52.00 64.16 -59.69 52.03 64.20 -58.63 52.01 2 0 1000.00 -999 ? >ILE~G 121 63.47 -52.42 49.79 64.36 -51.53 49.07 63.92 -51.98 49.43 3 0 1000.00 -999 ? >GLY.G 122 60.21 -51.35 52.86 60.42 -51.23 52.11 60.31 -51.29 52.49 1 0 1000.00 -999 ? >SER.G 123 57.06 -49.96 51.26 55.17 -50.71 52.56 56.12 -50.33 51.91 2 0 1000.00 -999 ? >PHE^G 124 56.23 -43.99 50.53 55.79 -41.26 50.95 56.01 -42.62 50.74 3 0 1000.00 -999 ? >CSS.G 126 50.78 -41.82 50.56 51.72 -40.98 48.01 51.25 -41.40 49.29 2 0 1000.00 -999 ?