REMARK SOURCE hebe.pdb HEADER VIRAL PROTEIN, UNKNOWN FUNCTION 11-JUN-08 3DF6 COMPND ORF99; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: PUTATIVE UNCHARACTERIZED PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ACIDIANUS FILAMENTOUS VIRUS 1; SOURCE 3 ORGANISM_TAXID: 235266; SOURCE 4 GENE: ORF99; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSETTA PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PDEST17 AUTHOR A.GOULET,S.SPINELLI,D.PRANGISHVILI,H.VAN TILBEURGH, AUTHOR 2 C.CAMBILLAU,V.CAMPANACCI HET MSE A 27 8 HET MSE A 70 8 HET MSE B 27 8 HET MSE B 70 8 HET MSE C 27 8 HET MSE C 70 8 HET MSE D 27 8 HET MSE D 70 8 HET CA A 100 1 HET CA B 100 1 HET CA B 101 1 HET CA C 100 1 HET CA C 101 1 HET CA C 102 1 SITE 1 AC1 6 GLU A 99 ASN B 53 ASN B 54 GLU B 99 SITE 1 AC2 6 ASP A 95 HOH A 158 ASN B 68 HOH B 154 SITE 1 AC3 5 ASP B 15 GLU B 40 HOH B 184 HOH B 185 SITE 1 AC4 7 ASN C 68 GLU C 99 HOH C 125 HOH C 170 SITE 1 AC5 6 ASN C 53 ASN C 54 GLU C 99 HOH C 137 SITE 1 AC6 6 ASP C 15 GLU C 40 HOH C 111 HOH C 118 >ASP~A 2 76.67 58.99 8.51 75.80 60.55 7.32 76.23 59.77 7.92 2 0 17.57 -999 ? CA CA C 102 >THR~A 3 73.19 57.58 10.69 73.50 57.12 12.77 73.35 57.35 11.73 2 0 19.19 -999 ? CA CA C 102 >HIS~A 4 70.55 62.86 8.53 69.18 64.07 7.50 69.86 63.46 8.01 3 0 21.54 -999 ? CA CA C 102 >GLU~A 5 73.24 60.15 4.49 71.89 61.14 3.18 72.56 60.65 3.83 2 0 16.89 -999 ? CA CA C 102 >PHE~A 6 70.68 53.49 8.88 69.53 51.12 9.83 70.10 52.31 9.36 3 0 15.04 -999 ? CA CA C 102 >HIS~A 7 67.96 57.24 11.41 68.87 56.55 13.18 68.42 56.90 12.29 3 0 20.22 -999 ? CA CA C 102 >LYS~A 8 66.46 58.75 5.67 69.26 62.71 2.23 67.86 60.73 3.95 2 0 18.93 -999 ? CA CA C 102 >LEU~A 9 67.84 54.47 3.73 67.99 52.43 3.08 67.91 53.45 3.40 3 0 13.05 -999 ? CA CA C 102 >LEU~A 10 64.52 53.60 8.10 65.89 52.25 9.11 65.21 52.92 8.61 3 0 17.53 -999 ? CA CA C 102 >ILE~A 11 62.10 58.02 6.29 61.99 59.32 6.88 62.05 58.67 6.58 3 0 21.50 -999 ? CA CA C 102 >LYS~A 12 62.01 55.97 2.25 60.66 57.70 -2.75 61.33 56.83 -0.25 2 0 19.97 -999 ? CA CA C 102 >VAL~A 13 61.59 52.16 2.66 62.70 50.39 3.39 62.15 51.27 3.02 3 0 16.58 -999 ? CA CA C 102 >VAL~A 14 58.27 52.82 4.45 57.65 53.16 6.53 57.96 52.99 5.49 3 0 21.68 -999 ? CA CA C 102 >ASP~A 15 58.28 56.51 1.26 57.35 57.91 -0.07 57.82 57.21 0.59 2 0 22.97 -999 ? CA CA C 102 >LEU~A 16 59.40 52.12 -1.35 60.85 53.00 -2.70 60.13 52.56 -2.03 3 0 17.97 -999 ? CA CA C 102 >PHE~A 17 55.19 49.00 3.07 52.96 47.82 4.28 54.07 48.41 3.68 3 0 19.57 -999 ? CA CA A 100 >LEU~A 18 52.86 53.79 2.03 52.67 53.80 4.22 52.77 53.80 3.13 3 0 23.11 -999 ? CA CA A 100 >GLU~A 19 54.71 55.22 -3.12 56.29 56.03 -4.32 55.50 55.62 -3.72 2 0 22.94 -999 ? CA CA C 102 >ASP.A 20 51.91 48.99 -3.57 51.51 46.90 -3.54 51.71 47.95 -3.56 2 0 18.04 -999 ? CA CA A 100 >ARG.A 21 57.91 52.35 -6.64 59.57 52.67 -9.19 58.74 52.51 -7.91 2 0 19.68 -999 ? CA CA C 102 >ILE^A 22 58.69 47.75 -0.57 59.90 47.82 0.23 59.29 47.78 -0.17 3 0 17.82 -999 ? CA CA C 102 >LYS^A 23 54.85 44.88 -1.45 54.27 45.84 -6.58 54.56 45.36 -4.01 2 0 20.39 -999 ? CA CA A 100 >GLU^A 24 55.38 41.36 1.83 54.27 39.58 2.32 54.82 40.47 2.08 2 0 14.57 -999 ? CA CA A 100 >PHE^A 25 59.37 46.36 4.68 58.75 48.54 6.38 59.06 47.45 5.53 3 0 19.60 -999 ? CA CA C 102 >GLU^A 26 59.20 41.35 8.25 59.28 39.63 9.47 59.24 40.49 8.86 2 0 20.28 -999 ? CA CA A 100 >MET?A 27 63.72 44.83 9.03 64.70 48.22 6.65 64.21 46.53 7.84 2 0 15.40 -999 ? CA CA C 102 >LYS^A 28 65.45 43.97 12.29 66.68 41.43 16.69 66.07 42.70 14.49 2 0 20.81 -999 ? CA CA C 100 >LEU^A 29 66.43 48.25 13.26 65.96 48.95 11.22 66.20 48.60 12.24 3 0 18.40 -999 ? CA CA C 102 >ASN^A 30 69.78 47.83 17.60 70.01 48.66 19.57 69.89 48.24 18.58 2 0 22.46 -999 ? CA CA C 100 >THR^A 31 68.95 52.43 15.99 68.72 53.20 13.95 68.84 52.81 14.97 2 0 19.73 -999 ? CA CA C 102 >THR^A 32 67.67 55.51 17.80 68.16 56.01 19.83 67.91 55.76 18.82 2 0 25.99 -999 ? CA CA C 102 >LEU^A 33 64.08 57.49 15.20 64.01 56.27 13.34 64.05 56.88 14.27 3 0 23.75 -999 ? CA CA C 102 >ASP~A 34 65.50 62.65 17.02 65.40 63.47 15.06 65.45 63.06 16.04 2 0 27.29 -999 ? CA CA C 102 >GLU~A 35 59.26 64.17 18.20 58.75 65.60 19.64 59.01 64.88 18.92 2 0 34.67 -999 ? CA CA C 102 >LEU~A 36 62.02 65.41 13.52 61.45 67.52 13.85 61.74 66.47 13.69 3 0 30.15 -999 ? CA CA C 102 >GLU~A 37 65.06 61.38 12.10 66.91 60.61 12.81 65.98 61.00 12.46 2 0 23.39 -999 ? CA CA C 102 >PHE~A 38 59.27 57.29 15.83 58.12 54.82 16.60 58.69 56.06 16.22 3 0 27.96 -999 ? CA CA C 102 >GLU~A 39 56.60 62.85 14.64 56.54 64.85 15.24 56.57 63.85 14.94 2 0 32.91 -999 ? CA CA C 102 >GLU~A 40 59.69 61.88 7.27 61.16 63.06 6.40 60.43 62.47 6.84 2 0 24.81 -999 ? CA CA C 102 >LEU~A 41 59.57 56.62 10.29 60.16 54.52 10.35 59.86 55.57 10.32 3 0 23.34 -999 ? CA CA C 102 >ILE~A 42 54.78 56.82 11.48 54.51 56.42 12.59 54.65 56.62 12.03 3 0 27.94 -999 ? CA CA A 100 >GLY~A 43 53.82 59.57 7.83 53.52 59.30 8.55 53.67 59.43 8.19 1 0 28.66 -999 ? CA CA C 102 >LYS.A 44 50.04 59.96 7.91 50.82 65.01 9.98 50.43 62.48 8.94 2 0 33.28 -999 ? CA CA A 100 >PRO.A 45 49.50 56.92 11.00 48.64 57.36 8.97 49.07 57.14 9.98 3 0 25.48 -999 ? CA CA A 100 >ASP.A 46 43.56 55.87 8.03 43.82 56.76 6.14 43.69 56.31 7.09 2 0 23.14 -999 ? CA CA A 100 >SER^A 47 44.49 54.89 12.48 43.34 52.78 12.03 43.92 53.84 12.26 2 0 20.91 -999 ? CA CA A 100 >SER^A 48 47.05 53.71 15.01 47.47 55.91 15.99 47.26 54.81 15.50 2 0 26.23 -999 ? CA CA A 100 >ASN^A 49 46.68 49.77 17.60 44.63 49.66 16.93 45.65 49.71 17.27 2 0 21.18 -999 ? CA CA A 100 >SER^A 50 49.93 50.98 20.53 51.69 52.25 21.61 50.81 51.62 21.07 2 0 28.12 -999 ? CA CA A 100 >ALA^A 51 50.70 48.14 22.94 50.32 46.74 22.47 50.51 47.44 22.71 2 0 24.99 -999 ? CA CA A 100 >GLU^A 52 54.80 48.92 27.32 54.88 47.68 29.06 54.84 48.30 28.19 2 0 32.46 -999 ? CA CA A 100 >ASN.A 53 54.81 43.21 25.90 52.80 42.89 25.23 53.81 43.05 25.57 2 0 26.62 -999 ? CA CA A 100 >ASN.A 54 58.37 43.08 29.40 57.06 41.47 29.87 57.72 42.28 29.64 2 0 32.12 -999 ? CA CA A 100 >GLY.A 55 59.00 47.91 28.48 58.72 47.39 27.91 58.86 47.65 28.20 1 0 32.49 -999 ? CA CA C 100 >ILE^A 56 59.46 45.78 24.16 60.87 45.86 23.88 60.17 45.82 24.02 3 0 29.30 -999 ? CA CA C 100 >PHE^A 57 56.07 51.20 23.80 55.50 52.42 26.21 55.79 51.81 25.00 3 0 31.89 -999 ? CA CA A 100 >ILE^A 58 54.47 46.34 19.06 54.79 45.03 18.51 54.63 45.69 18.79 3 0 23.88 -999 ? CA CA A 100 >ASP^A 59 53.13 51.97 17.21 53.44 53.13 18.97 53.28 52.55 18.09 2 0 27.82 -999 ? CA CA A 100 >GLU^A 60 48.66 47.78 13.72 47.27 46.24 14.28 47.97 47.01 14.00 2 0 17.73 -999 ? CA CA A 100 >TYR^A 61 51.42 53.51 12.66 52.74 54.65 14.84 52.08 54.08 13.75 3 0 25.33 -999 ? CA CA A 100 >SER^A 62 46.87 51.51 9.27 45.53 49.97 10.56 46.20 50.74 9.92 2 0 18.21 -999 ? CA CA A 100 >TYR^A 63 49.36 53.62 6.22 51.43 54.16 8.03 50.40 53.89 7.12 3 0 22.41 -999 ? CA CA A 100 >ASP^A 64 42.26 53.17 4.29 41.81 53.02 6.37 42.04 53.10 5.33 2 0 19.31 -999 ? CA CA A 100 >ALA.A 65 44.11 51.79 0.26 44.92 50.62 -0.23 44.52 51.20 0.01 2 0 17.44 -999 ? CA CA A 100 >SER.A 66 40.53 50.84 -0.64 40.66 48.51 -1.27 40.60 49.67 -0.96 2 0 15.17 -999 ? CA CA A 100 >GLU.A 67 34.92 48.61 0.42 35.24 46.54 0.01 35.08 47.58 0.21 2 0 14.10 -999 ? CA CA A 100 >ASN.A 68 38.40 45.21 0.41 38.58 43.20 1.16 38.49 44.21 0.78 2 0 9.68 -999 ? CA CA A 100 >ALA^A 69 42.63 46.75 1.33 43.31 46.76 -0.04 42.97 46.76 0.65 2 0 13.39 -999 ? CA CA A 100 >MET?A 70 45.03 48.42 3.73 43.54 47.60 7.45 44.29 48.01 5.59 2 0 14.51 -999 ? CA CA A 100 >LYS^A 71 48.72 48.67 4.50 51.89 47.52 0.08 50.30 48.09 2.29 2 0 17.73 -999 ? CA CA A 100 >LYS^A 72 49.78 48.08 8.09 45.09 45.01 11.04 47.44 46.55 9.57 2 0 14.18 -999 ? CA CA A 100 >LEU^A 73 53.62 50.59 9.21 55.65 51.31 8.84 54.64 50.95 9.03 3 0 22.62 -999 ? CA CA A 100 >PHE^A 74 53.00 45.62 12.84 50.49 44.45 12.53 51.74 45.04 12.69 3 0 18.19 -999 ? CA CA A 100 >VAL^A 75 57.18 49.52 14.66 57.87 51.51 14.00 57.53 50.52 14.33 3 0 25.99 -999 ? CA CA A 100 >GLU^A 76 59.62 45.84 19.05 60.29 43.84 18.78 59.96 44.84 18.91 2 0 26.81 -999 ? CA CA A 100 >TYR^A 77 59.07 52.19 19.68 56.56 53.16 20.43 57.81 52.68 20.06 3 0 30.29 -999 ? CA CA C 102 >VAL^A 78 61.96 51.30 23.34 63.24 50.04 24.59 62.60 50.67 23.97 3 0 29.90 -999 ? CA CA C 100 >ARG^A 79 57.63 55.91 25.16 54.65 55.62 25.74 56.14 55.76 25.45 2 0 34.17 -999 ? CA CA A 100 >GLN^A 80 65.94 55.38 23.91 66.52 54.01 25.42 66.23 54.69 24.67 2 0 29.72 -999 ? CA CA C 100 >PRO.A 81 66.37 59.01 28.83 65.04 59.43 27.06 65.71 59.22 27.95 3 0 34.81 -999 ? CA CA C 100 >GLU.A 82 67.13 64.04 26.08 69.16 64.43 25.66 68.14 64.24 25.87 2 0 34.53 -999 ? CA CA C 102 >PHE.A 83 60.60 64.23 23.49 59.37 65.86 25.40 59.98 65.05 24.44 3 0 37.07 -999 ? CA CA C 102 >LYS^A 84 64.12 59.49 21.28 69.52 62.39 22.27 66.82 60.94 21.77 2 0 30.60 -999 ? CA CA C 102 >TYR^A 85 60.93 57.16 19.90 59.25 59.18 20.87 60.09 58.17 20.39 3 0 30.89 -999 ? CA CA C 102 >THR^A 86 65.29 52.91 19.86 66.94 52.13 21.00 66.12 52.52 20.43 2 0 26.26 -999 ? CA CA C 102 >VAL^A 87 63.65 51.07 16.95 62.61 51.86 15.17 63.13 51.46 16.06 3 0 23.75 -999 ? CA CA C 102 >LEU^A 88 63.73 46.53 18.35 64.74 46.80 20.26 64.23 46.66 19.31 3 0 25.24 -999 ? CA CA C 102 >SER^A 89 61.97 46.24 14.10 60.26 44.77 15.02 61.11 45.50 14.56 2 0 24.20 -999 ? CA CA C 102 >ILE^A 90 60.35 48.90 10.55 60.46 50.32 10.24 60.41 49.61 10.39 3 0 21.23 -999 ? CA CA C 102 >LYS^A 91 57.38 45.48 9.44 58.26 40.59 13.31 57.82 43.04 11.37 2 0 21.20 -999 ? CA CA A 100 >GLY^A 92 55.03 46.38 6.59 55.22 45.54 6.72 55.13 45.96 6.65 1 0 19.14 -999 ? CA CA A 100 >VAL^A 93 52.19 44.01 5.74 51.91 43.06 7.74 52.05 43.53 6.74 3 0 15.14 -999 ? CA CA A 100 >ASN^A 94 49.05 43.57 2.08 50.67 44.47 1.01 49.86 44.02 1.55 2 0 14.52 -999 ? CA CA A 100 >ASP^A 95 45.67 43.92 6.68 44.60 42.63 8.04 45.13 43.27 7.36 2 0 -10.59 -999 ? CA CA A 100s >TRP^A 96 42.61 42.92 0.53 46.17 41.28 0.92 44.39 42.10 0.73 3 0 9.17 -999 ? CA CA A 100 >VAL.A 97 38.81 43.63 5.69 37.48 45.37 5.83 38.15 44.50 5.76 3 0 11.14 -999 ? CA CA A 100 >ARG.A 98 34.17 41.37 1.90 35.05 43.66 0.05 34.61 42.51 0.97 2 0 11.68 -999 ? CA CA A 100 >GLU.A 99 38.20 35.99 6.92 37.32 34.59 8.24 37.76 35.29 7.58 2 0 -6.20 -999 ? CA CA A 100s >GLY~B 1 93.58 39.98 -32.21 93.11 39.59 -31.60 93.35 39.78 -31.90 1 0 20.60 -999 ? CA CA B 101 >ASP~B 2 97.14 36.79 -31.09 97.66 36.18 -33.06 97.40 36.49 -32.08 2 0 22.35 -999 ? CA CA B 101 >THR~B 3 94.74 37.77 -27.25 95.79 39.11 -25.91 95.27 38.44 -26.58 2 0 19.25 -999 ? CA CA B 101 >HIS~B 4 88.63 38.78 -28.30 86.60 38.34 -28.06 87.62 38.56 -28.18 3 0 14.08 -999 ? CA CA B 101 >GLU~B 5 91.56 35.51 -32.23 89.54 35.25 -32.77 90.54 35.38 -32.50 2 0 16.20 -999 ? CA CA B 101 >PHE~B 6 95.14 33.02 -25.27 96.31 31.66 -23.12 95.72 32.34 -24.19 3 0 16.18 -999 ? CA CA B 101 >HIS~B 7 91.43 36.28 -23.21 92.97 37.47 -22.41 92.20 36.88 -22.81 3 0 14.52 -999 ? CA CA B 101 >LYS~B 8 87.81 32.85 -26.56 86.01 35.32 -31.71 86.91 34.09 -29.14 2 0 13.66 -999 ? CA CA B 101 >LEU~B 9 91.09 29.30 -27.44 92.31 27.45 -27.20 91.70 28.37 -27.32 3 0 13.04 -999 ? CA CA B 101 >LEU~B 10 90.57 30.45 -22.16 92.71 30.62 -21.75 91.64 30.53 -21.95 3 0 11.58 -999 ? CA CA B 101 >ILE~B 11 85.38 31.18 -23.25 84.68 32.39 -23.15 85.03 31.79 -23.20 3 0 6.00 -999 ? CA CA B 101 >LYS~B 12 85.58 27.16 -25.48 83.98 29.56 -30.39 84.78 28.36 -27.93 2 0 9.99 -999 ? CA CA B 101 >VAL~B 13 87.87 24.77 -23.51 90.04 24.52 -23.01 88.96 24.65 -23.26 3 0 9.92 -999 ? CA CA B 101 >VAL~B 14 85.61 25.22 -20.47 85.59 26.56 -18.71 85.60 25.89 -19.59 3 0 6.34 -999 ? CA CA B 101 >ASP~B 15 82.11 25.49 -23.95 81.50 27.46 -23.52 81.80 26.48 -23.74 2 0 -3.02 -999 ? CA CA B 101s >LEU~B 16 85.21 21.31 -24.90 85.13 21.40 -27.13 85.17 21.35 -26.01 3 0 10.21 -999 ? CA CA B 101 >PHE~B 17 85.57 20.76 -18.08 85.21 19.99 -15.43 85.39 20.37 -16.76 3 0 10.87 -999 ? CA CA B 101 >LEU~B 18 80.51 22.45 -19.19 80.94 23.86 -17.57 80.72 23.15 -18.38 3 0 6.36 -999 ? CA CA B 101 >GLU~B 19 79.57 20.62 -24.30 80.11 21.10 -26.30 79.84 20.86 -25.30 2 0 9.29 -999 ? CA CA B 101 >ASP.B 20 81.48 15.25 -20.55 82.56 13.77 -19.55 82.02 14.51 -20.05 2 0 15.34 -999 ? CA CA B 101 >ARG.B 21 82.38 17.43 -27.77 82.67 16.43 -30.64 82.52 16.93 -29.20 2 0 15.81 -999 ? CA CA B 101 >ILE^B 22 87.76 18.74 -22.37 88.80 19.73 -22.61 88.28 19.23 -22.49 3 0 12.62 -999 ? CA CA B 101 >LYS^B 23 86.71 14.96 -19.50 84.13 11.83 -23.01 85.42 13.40 -21.26 2 0 17.56 -999 ? CA CA B 101 >GLU^B 24 88.55 15.16 -15.40 89.21 14.22 -13.67 88.88 14.69 -14.53 2 0 18.74 -999 ? CA CA B 101 >PHE^B 25 90.70 21.47 -18.62 89.31 23.81 -17.91 90.01 22.64 -18.27 3 0 11.95 -999 ? CA CA B 101 >GLU^B 26 95.05 20.24 -14.26 96.70 19.50 -13.15 95.87 19.87 -13.70 2 0 20.58 -999 ? CA CA B 101 >MET?B 27 96.17 24.80 -17.67 93.85 25.84 -21.12 95.01 25.32 -19.40 2 0 13.97 -999 ? CA CA B 101 >LYS^B 28 98.71 27.22 -16.28 102.98 29.45 -13.67 100.84 28.34 -14.97 2 0 23.98 -999 ? CA CA B 101 >LEU^B 29 96.81 30.93 -18.02 95.39 29.74 -19.20 96.10 30.33 -18.61 3 0 16.16 -999 ? CA CA B 101 >ASN^B 30 100.65 34.62 -16.91 100.97 36.23 -15.55 100.81 35.42 -16.23 2 0 22.73 -999 ? CA CA B 101 >THR^B 31 96.63 36.41 -19.11 95.41 35.55 -20.71 96.02 35.98 -19.91 2 0 16.62 -999 ? CA CA B 101 >THR^B 32 94.28 39.25 -18.23 94.94 40.98 -17.11 94.61 40.12 -17.67 2 0 19.50 -999 ? CA CA B 101 >LEU^B 33 89.76 37.63 -18.82 90.18 35.48 -19.37 89.97 36.56 -19.10 3 0 12.60 -999 ? CA CA B 101 >ASP.B 34 87.58 42.59 -20.32 86.49 41.63 -21.89 87.04 42.11 -21.11 2 0 14.26 -999 ? CA CA B 101 >GLU~B 35 82.93 41.76 -15.60 81.88 43.21 -14.57 82.40 42.49 -15.08 2 0 13.34 -999 ? CA CA C 102 >LEU~B 36 82.47 40.57 -21.39 80.85 39.98 -22.76 81.66 40.28 -22.07 3 0 11.56 -999 ? CA CA B 101 >GLU~B 37 86.85 37.83 -22.90 86.16 39.80 -23.24 86.51 38.82 -23.07 2 0 12.63 -999 ? CA CA B 101 >PHE~B 38 86.51 36.34 -14.82 87.21 34.95 -12.48 86.86 35.65 -13.65 3 0 12.12 -999 ? CA CA B 101 >GLU~B 39 80.96 37.95 -15.89 79.68 39.59 -15.90 80.32 38.77 -15.89 2 0 11.98 -999 ? CA CA B 101 >GLU~B 40 81.40 35.37 -22.36 79.39 34.80 -22.70 80.40 35.08 -22.53 2 0 -6.20 -999 ? CA CA B 101s >LEU~B 41 85.78 32.13 -18.26 87.62 31.00 -17.98 86.70 31.57 -18.12 3 0 7.67 -999 ? CA CA B 101 >ILE~B 42 82.79 31.59 -14.45 83.37 31.91 -13.41 83.08 31.75 -13.93 3 0 8.31 -999 ? CA CA B 101 >GLY~B 43 78.98 30.75 -16.99 79.19 31.01 -16.23 79.08 30.88 -16.61 1 0 4.76 -999 ? CA CA B 101 >LYS.B 44 76.13 29.94 -14.64 71.19 32.22 -18.02 73.66 31.08 -16.33 2 0 10.13 -999 ? CA CA B 101 >PRO.B 45 79.09 29.21 -11.41 77.32 28.17 -12.37 78.21 28.69 -11.89 3 0 9.50 -999 ? CA CA B 101 >ASP.B 46 74.52 24.43 -9.66 73.72 24.12 -11.59 74.12 24.27 -10.63 2 0 12.50 -999 ? CA CA B 101 >SER^B 47 77.32 26.71 -6.68 77.89 24.48 -5.91 77.60 25.59 -6.29 2 0 16.05 -999 ? CA CA B 101 >SER^B 48 80.53 28.59 -6.03 79.93 30.96 -6.04 80.23 29.78 -6.03 2 0 15.28 -999 ? CA CA B 101 >ASN^B 49 83.19 28.28 -2.20 84.34 26.56 -2.69 83.77 27.42 -2.45 2 0 12.84 -999 ? CA CA C 101 >SER^B 50 85.83 31.86 -3.43 86.43 34.08 -4.31 86.13 32.97 -3.87 2 0 15.42 -999 ? CA CA C 102 >ALA^B 51 88.97 31.87 -1.29 89.54 30.51 -0.80 89.25 31.19 -1.05 2 0 11.24 -999 ? CA CA C 101 >GLU^B 52 92.18 37.17 -1.18 91.58 39.13 -0.57 91.88 38.15 -0.88 2 0 16.38 -999 ? CA CA C 102 >ASN^B 53 95.40 32.40 -0.26 97.02 31.80 0.98 96.21 32.10 0.36 2 0 -13.55 -999 ? CA CA C 101s >ASN.B 54 99.29 35.30 -0.86 100.16 34.54 0.94 99.73 34.92 0.04 2 0 -16.94 -999 ? CA CA C 101s >GLY.B 55 96.30 38.57 -3.11 96.23 37.76 -3.15 96.26 38.17 -3.13 1 0 19.36 -999 ? CA CA C 101 >ILE^B 56 96.24 34.63 -5.73 97.24 34.06 -6.61 96.74 34.35 -6.17 3 0 19.65 -999 ? CA CA C 101 >PHE^B 57 90.06 36.11 -5.24 89.41 38.39 -3.73 89.73 37.25 -4.48 3 0 15.71 -999 ? CA CA C 102 >ILE^B 58 91.73 29.28 -5.66 92.68 28.26 -5.78 92.21 28.77 -5.72 3 0 16.06 -999 ? CA CA C 101 >ASP^B 59 86.43 30.97 -7.77 86.52 32.98 -7.10 86.47 31.97 -7.43 2 0 15.96 -999 ? CA CA B 101 >GLU^B 60 85.17 24.23 -6.29 85.22 23.08 -4.50 85.20 23.65 -5.39 2 0 14.80 -999 ? CA CA C 101 >TYR^B 61 83.07 28.71 -10.57 84.15 31.26 -10.22 83.61 29.99 -10.39 3 0 11.36 -999 ? CA CA B 101 >SER^B 62 80.22 23.42 -9.50 80.96 22.87 -7.25 80.59 23.15 -8.37 2 0 15.17 -999 ? CA CA B 101 >TYR^B 63 79.31 24.03 -13.88 80.95 26.32 -14.11 80.13 25.18 -13.99 3 0 8.06 -999 ? CA CA B 101 >ASP^B 64 73.75 19.92 -11.79 73.44 20.64 -9.81 73.59 20.28 -10.80 2 0 13.36 -999 ? CA CA B 100 >ALA.B 65 76.21 17.55 -15.14 77.61 16.93 -15.24 76.91 17.24 -15.19 2 0 12.52 -999 ? CA CA B 100 >SER.B 66 74.05 14.46 -15.09 74.55 13.46 -17.23 74.30 13.96 -16.16 2 0 10.20 -999 ? CA CA B 100 >GLU.B 67 72.03 10.24 -13.66 70.75 8.63 -14.06 71.39 9.44 -13.86 2 0 4.89 -999 ? CA CA B 100 >ASN.B 68 75.58 10.26 -9.71 73.86 9.38 -8.82 74.72 9.82 -9.27 2 0 -2.87 -999 ? CA CA B 100s >ALA^B 69 77.89 13.64 -12.22 78.16 13.38 -13.70 78.03 13.51 -12.96 2 0 9.62 -999 ? CA CA B 100 >MET?B 70 79.15 17.04 -11.22 79.58 19.11 -7.65 79.37 18.08 -9.43 2 0 14.14 -999 ? CA CA B 100 >LYS^B 71 81.67 19.19 -13.06 83.57 16.70 -17.73 82.62 17.94 -15.40 2 0 13.07 -999 ? CA CA B 101 >LYS^B 72 83.98 21.37 -10.98 82.71 21.10 -5.93 83.35 21.23 -8.46 2 0 17.28 -999 ? CA CA B 101 >LEU^B 73 85.25 25.23 -13.41 86.12 26.23 -15.10 85.69 25.73 -14.26 3 0 9.35 -999 ? CA CA B 101 >PHE^B 74 89.23 24.02 -8.80 88.21 22.01 -7.13 88.72 23.01 -7.97 3 0 16.76 -999 ? CA CA B 101 >VAL^B 75 89.93 29.35 -11.51 88.81 30.43 -13.11 89.37 29.89 -12.31 3 0 12.79 -999 ? CA CA B 101 >GLU^B 76 95.28 30.87 -8.85 97.17 29.95 -9.02 96.22 30.41 -8.94 2 0 20.89 -999 ? CA CA B 101 >TYR^B 77 90.57 35.19 -10.52 88.33 35.43 -8.89 89.45 35.31 -9.70 3 0 16.08 -999 ? CA CA B 101 >VAL^B 78 94.17 38.25 -9.45 96.20 38.94 -9.07 95.19 38.59 -9.26 3 0 20.89 -999 ? CA CA C 102 >ARG^B 79 88.41 40.42 -7.16 86.38 38.64 -5.67 87.39 39.53 -6.41 2 0 12.46 -999 ? CA CA C 102 >GLN^B 80 94.38 42.51 -12.80 96.26 42.77 -11.79 95.32 42.64 -12.29 2 0 21.74 -999 ? CA CA C 102 >PRO.B 81 93.83 48.25 -10.75 92.04 47.01 -11.39 92.94 47.63 -11.07 3 0 18.27 -999 ? CA CA C 102 >GLU.B 82 89.93 50.61 -14.87 90.63 51.74 -16.53 90.28 51.18 -15.70 2 0 20.44 -999 ? CA CA C 102 >PHE.B 83 85.06 46.44 -13.41 83.77 48.34 -11.82 84.41 47.39 -12.62 3 0 12.67 -999 ? CA CA C 102 >LYS^B 84 89.97 42.85 -15.08 90.48 45.65 -19.62 90.23 44.25 -17.35 2 0 19.75 -999 ? CA CA B 101 >TYR^B 85 88.55 39.10 -13.45 86.27 40.36 -12.38 87.41 39.73 -12.92 3 0 15.44 -999 ? CA CA B 101 >THR^B 86 94.56 37.99 -14.41 96.49 38.95 -14.45 95.52 38.47 -14.43 2 0 20.30 -999 ? CA CA B 101 >VAL^B 87 94.03 34.26 -14.77 92.25 33.25 -15.61 93.14 33.75 -15.19 3 0 15.07 -999 ? CA CA B 101 >LEU^B 88 97.44 32.35 -12.10 98.42 34.20 -11.48 97.93 33.27 -11.79 3 0 20.53 -999 ? CA CA B 101 >SER^B 89 95.35 28.65 -13.78 95.61 27.72 -11.47 95.48 28.19 -12.62 2 0 18.23 -999 ? CA CA B 101 >ILE^B 90 91.48 27.25 -16.01 90.60 28.01 -16.86 91.04 27.63 -16.43 3 0 11.88 -999 ? CA CA B 101 >LYS^B 91 91.33 23.22 -13.73 93.31 19.02 -9.42 92.32 21.12 -11.57 2 0 20.16 -999 ? CA CA B 101 >GLY^B 92 88.32 21.06 -14.55 89.03 20.63 -14.27 88.68 20.85 -14.41 1 0 13.05 -999 ? CA CA B 101 >VAL^B 93 87.53 17.91 -12.57 88.37 18.42 -10.55 87.95 18.17 -11.56 3 0 16.32 -999 ? CA CA B 101 >ASN^B 94 84.68 14.12 -13.42 84.67 14.60 -15.48 84.67 14.36 -14.45 2 0 15.82 -999 ? CA CA B 100 >ASP^B 95 82.90 15.45 -8.27 83.06 14.78 -6.25 82.98 15.12 -7.26 2 0 13.75 -999 ? CA CA B 100 >TRP^B 96 78.92 9.24 -6.70 77.18 7.37 -9.71 78.05 8.31 -8.20 3 0 6.31 -999 ? CA CA B 100 >VAL.B 97 77.89 13.18 -6.17 77.98 15.22 -7.00 77.93 14.20 -6.58 3 0 9.54 -999 ? CA CA B 100 >ARG.B 98 73.07 11.04 -1.14 71.53 9.43 0.98 72.30 10.23 -0.08 2 0 10.67 -999 ? CA CA B 100 >GLU.B 99 69.86 12.57 -8.27 68.93 11.15 -9.52 69.39 11.86 -8.89 2 0 -4.84 -999 ? CA CA B 100s >GLY.C 1 58.68 57.67 -7.94 59.50 57.85 -8.11 59.09 57.76 -8.02 1 0 22.25 -999 ? CA CA C 102 >ASP~C 2 62.81 57.75 -10.17 64.33 57.17 -11.49 63.57 57.46 -10.83 2 0 19.00 -999 ? CA CA C 102 >THR~C 3 62.68 53.09 -10.89 61.64 51.78 -12.27 62.16 52.43 -11.58 2 0 18.96 -999 ? CA CA C 102 >HIS~C 4 68.54 55.09 -11.63 70.57 55.35 -11.16 69.56 55.22 -11.40 3 0 14.70 -999 ? CA CA C 102 >GLU~C 5 66.07 57.98 -8.00 68.12 58.41 -7.61 67.09 58.20 -7.81 2 0 15.98 -999 ? CA CA C 102 >PHE~C 6 62.40 50.72 -6.47 61.34 48.37 -5.35 61.87 49.54 -5.91 3 0 15.77 -999 ? CA CA C 102 >HIS~C 7 66.14 49.03 -9.77 64.56 48.33 -10.97 65.35 48.68 -10.37 3 0 14.17 -999 ? CA CA C 102 >LYS~C 8 69.71 52.17 -6.04 71.81 57.62 -6.65 70.76 54.89 -6.35 2 0 13.28 -999 ? CA CA C 102 >LEU~C 9 66.40 52.56 -2.40 65.07 52.26 -0.64 65.74 52.41 -1.52 3 0 12.86 -999 ? CA CA C 102 >LEU~C 10 66.92 47.33 -4.05 64.78 46.95 -4.28 65.85 47.14 -4.17 3 0 11.19 -999 ? CA CA C 102 >ILE~C 11 72.14 48.62 -4.66 72.88 48.63 -5.81 72.51 48.63 -5.23 3 0 5.74 -999 ? CA CA C 102 >LYS~C 12 71.81 50.29 -0.46 74.89 53.85 2.48 73.35 52.07 1.01 2 0 9.48 -999 ? CA CA C 102 >VAL~C 13 69.50 48.10 1.70 67.31 47.61 1.85 68.40 47.86 1.77 3 0 9.67 -999 ? CA CA C 102 >VAL~C 14 71.79 45.16 0.90 71.83 43.58 -0.68 71.81 44.37 0.11 3 0 5.95 -999 ? CA CA C 102 >ASP~C 15 75.25 48.61 0.98 75.99 48.32 -0.96 75.62 48.47 0.01 2 0 -2.90 -999 ? CA CA C 102s >LEU~C 16 72.15 49.21 5.19 71.98 51.37 5.27 72.07 50.29 5.23 3 0 10.07 -999 ? CA CA C 102 >PHE~C 17 71.78 42.37 5.19 72.11 39.63 5.76 71.94 41.00 5.47 3 0 10.67 -999 ? CA CA C 102 >LEU~C 18 76.86 43.60 3.66 76.40 42.08 2.09 76.63 42.84 2.87 3 0 6.29 -999 ? CA CA C 102 >GLU~C 19 77.81 48.67 6.03 77.33 50.71 5.73 77.57 49.69 5.88 2 0 9.50 -999 ? CA CA C 102 >ASP.C 20 75.92 44.40 11.03 74.81 43.21 12.36 75.36 43.80 11.70 2 0 15.30 -999 ? CA CA C 102 >ARG.C 21 74.95 51.65 9.43 74.68 54.35 10.84 74.81 53.00 10.13 2 0 15.89 -999 ? CA CA C 102 >ILE^C 22 69.57 46.40 7.61 68.59 46.67 6.63 69.08 46.53 7.12 3 0 12.41 -999 ? CA CA C 102 >LYS^C 23 70.62 43.26 11.12 73.23 46.46 14.37 71.93 44.86 12.74 2 0 17.30 -999 ? CA CA C 102 >GLU^C 24 68.78 39.11 10.50 68.08 37.25 11.17 68.43 38.18 10.84 2 0 18.50 -999 ? CA CA C 102 >PHE^C 25 66.62 42.95 4.51 68.03 42.41 2.13 67.33 42.68 3.32 3 0 11.69 -999 ? CA CA C 102 >GLU^C 26 61.07 39.60 5.14 60.08 37.82 5.77 60.58 38.71 5.45 2 0 19.79 -999 ? CA CA A 100 >MET?C 27 61.25 42.39 1.11 63.51 45.87 0.31 62.38 44.13 0.71 2 0 13.66 -999 ? CA CA C 102 >LYS^C 28 58.66 41.20 -1.37 54.08 39.21 -3.65 56.37 40.20 -2.51 2 0 15.79 -999 ? CA CA A 100 >LEU^C 29 60.55 43.17 -4.89 61.91 44.28 -3.63 61.23 43.73 -4.26 3 0 15.90 -999 ? CA CA C 102 >ASN^C 30 56.81 42.57 -8.78 56.45 41.69 -10.68 56.63 42.13 -9.73 2 0 22.25 -999 ? CA CA A 100 >THR^C 31 60.85 44.91 -10.24 62.17 46.34 -9.17 61.51 45.63 -9.71 2 0 16.13 -999 ? CA CA C 102 >THR^C 32 63.15 44.20 -13.18 62.44 43.27 -15.02 62.79 43.74 -14.10 2 0 19.28 -999 ? CA CA C 102 >LEU^C 33 67.64 44.31 -11.64 67.21 44.59 -9.53 67.42 44.45 -10.58 3 0 12.51 -999 ? CA CA C 102 >ASP^C 34 69.99 46.74 -15.91 71.69 46.77 -17.18 70.84 46.76 -16.55 2 0 15.55 -999 ? CA CA C 102 >GLU~C 35 74.29 41.30 -15.90 75.43 40.46 -17.45 74.86 40.88 -16.67 2 0 13.10 -999 ? CA CA B 101 >LEU~C 36 74.83 47.17 -14.69 76.38 47.53 -16.20 75.60 47.35 -15.44 3 0 13.04 -999 ? CA CA C 102 >GLU~C 37 70.18 47.97 -12.36 71.02 49.65 -11.49 70.60 48.81 -11.93 2 0 11.29 -999 ? CA CA C 102 >PHE~C 38 70.93 40.43 -10.59 70.34 37.97 -9.35 70.63 39.20 -9.97 3 0 11.88 -999 ? CA CA C 102 >GLU~C 39 76.39 41.46 -12.18 77.49 41.57 -13.96 76.94 41.51 -13.07 2 0 12.29 -999 ? CA CA C 102 >GLU~C 40 75.48 48.20 -7.55 77.53 48.53 -7.17 76.51 48.37 -7.36 2 0 -5.30 -999 ? CA CA C 102s >LEU~C 41 71.69 43.60 -6.20 69.79 43.31 -5.13 70.74 43.45 -5.67 3 0 7.35 -999 ? CA CA C 102 >ILE~C 42 74.63 39.78 -5.93 74.01 38.71 -6.33 74.32 39.25 -6.13 3 0 8.10 -999 ? CA CA C 102 >GLY~C 43 78.54 42.20 -4.96 78.28 41.47 -5.25 78.41 41.84 -5.10 1 0 4.84 -999 ? CA CA C 102 >LYS.C 44 81.29 39.64 -4.43 84.03 41.33 -9.06 82.66 40.48 -6.74 2 0 10.78 -999 ? CA CA C 102 >PRO.C 45 78.13 36.69 -3.84 80.02 37.29 -2.80 79.08 36.99 -3.32 3 0 9.35 -999 ? CA CA C 102 >ASP.C 46 82.78 34.37 0.78 83.59 36.22 1.28 83.19 35.29 1.03 2 0 12.50 -999 ? CA CA C 102 >SER^C 47 80.02 31.57 -1.74 79.19 30.60 0.36 79.61 31.08 -0.69 2 0 13.39 -999 ? CA CA C 101 >SER^C 48 76.82 31.01 -3.64 77.41 31.08 -6.01 77.12 31.05 -4.82 2 0 15.37 -999 ? CA CA C 102 >ASN^C 49 73.50 27.73 -3.18 74.85 26.71 -1.90 74.17 27.22 -2.54 2 0 17.48 -999 ? CA CA C 101 >SER^C 50 71.57 28.78 -7.13 71.05 29.70 -9.32 71.31 29.24 -8.23 2 0 15.00 -999 ? CA CA B 101 >ALA^C 51 68.42 26.65 -7.29 67.89 26.17 -5.95 68.15 26.41 -6.62 2 0 19.56 -999 ? CA CA B 100 >GLU^C 52 65.15 26.98 -12.54 65.64 26.41 -14.54 65.39 26.69 -13.54 2 0 16.20 -999 ? CA CA B 101 >ASN^C 53 61.96 25.69 -7.82 60.30 24.52 -7.24 61.13 25.11 -7.53 2 0 -20.85 -999 ? CA CA B 100s >ASN.C 54 58.02 26.40 -10.78 57.22 24.56 -10.08 57.62 25.48 -10.43 2 0 -22.65 -999 ? CA CA B 100s >GLY.C 55 61.03 28.94 -13.79 61.10 28.90 -12.99 61.07 28.92 -13.39 1 0 20.55 -999 ? CA CA B 101 >ILE^C 56 61.07 31.15 -9.58 60.06 32.02 -8.93 60.57 31.59 -9.25 3 0 22.80 -999 ? CA CA C 102 >PHE^C 57 67.14 30.94 -11.23 67.65 29.64 -13.63 67.40 30.29 -12.43 3 0 15.58 -999 ? CA CA B 101 >ILE^C 58 65.69 30.80 -4.38 64.75 30.93 -3.30 65.22 30.87 -3.84 3 0 19.17 -999 ? CA CA C 102 >ASP^C 59 70.92 33.08 -5.98 70.90 32.50 -8.01 70.91 32.79 -6.99 2 0 15.78 -999 ? CA CA C 102 >GLU^C 60 72.10 30.98 0.56 72.04 29.08 1.53 72.07 30.03 1.05 2 0 18.05 -999 ? CA CA C 101 >TYR^C 61 74.31 35.58 -3.47 73.24 35.47 -6.07 73.78 35.53 -4.77 3 0 11.19 -999 ? CA CA C 102 >SER^C 62 77.13 34.08 1.71 76.38 31.82 2.18 76.76 32.95 1.95 2 0 14.75 -999 ? CA CA C 101 >TYR^C 63 78.04 38.53 1.52 76.48 38.93 -0.77 77.26 38.73 0.37 3 0 7.88 -999 ? CA CA C 102 >ASP^C 64 83.62 36.07 5.42 83.94 34.30 4.31 83.78 35.18 4.86 2 0 10.21 -999 ? CA CA C 101 >ALA.C 65 81.20 39.16 8.06 79.83 39.23 8.70 80.52 39.19 8.38 2 0 12.52 -999 ? CA CA C 100 >SER.C 66 83.39 38.88 11.10 82.13 40.84 11.81 82.76 39.86 11.46 2 0 10.72 -999 ? CA CA C 100 >GLU.C 67 85.23 37.01 15.35 86.56 37.43 16.95 85.89 37.22 16.15 2 0 5.13 -999 ? CA CA C 100 >ASN.C 68 81.80 32.99 14.74 83.45 32.00 15.62 82.62 32.50 15.18 2 0 -2.86 -999 ? CA CA C 100s >ALA^C 69 79.50 35.82 11.77 79.28 37.25 12.20 79.39 36.53 11.99 2 0 9.49 -999 ? CA CA C 100 >MET?C 70 78.23 35.22 8.27 77.85 31.87 5.88 78.04 33.55 7.07 2 0 12.03 -999 ? CA CA C 101 >LYS^C 71 75.72 37.32 6.31 73.81 41.67 9.23 74.76 39.49 7.77 2 0 12.92 -999 ? CA CA C 102 >LYS^C 72 73.43 35.42 3.94 73.71 29.38 6.13 73.57 32.40 5.04 2 0 14.96 -999 ? CA CA C 101 >LEU^C 73 72.18 38.06 0.31 71.33 39.88 -0.52 71.75 38.97 -0.10 3 0 9.06 -999 ? CA CA C 102 >PHE^C 74 68.15 33.43 1.10 69.24 31.60 2.93 68.69 32.51 2.01 3 0 16.45 -999 ? CA CA C 102 >VAL^C 75 67.45 36.65 -4.00 68.58 38.29 -4.98 68.02 37.47 -4.49 3 0 12.48 -999 ? CA CA C 102 >GLU^C 76 62.15 33.97 -5.59 60.20 34.04 -4.72 61.17 34.01 -5.16 2 0 20.66 -999 ? CA CA C 102 >TYR^C 77 66.73 35.97 -9.97 69.01 34.38 -10.31 67.87 35.18 -10.14 3 0 16.03 -999 ? CA CA C 102 >VAL^C 78 63.08 35.28 -12.95 61.02 34.83 -13.56 62.05 35.06 -13.26 3 0 20.76 -999 ? CA CA B 101 >ARG^C 79 68.83 33.25 -15.52 71.06 32.79 -13.41 69.94 33.02 -14.47 2 0 12.63 -999 ? CA CA B 101 >GLN^C 80 62.87 39.06 -17.00 60.98 38.08 -17.29 61.93 38.57 -17.15 2 0 21.68 -999 ? CA CA B 101 >PRO.C 81 63.32 37.92 -22.83 65.22 38.15 -21.61 64.27 38.03 -22.22 3 0 18.43 -999 ? CA CA B 101 >GLU.C 82 67.95 42.46 -24.78 66.37 41.72 -25.97 67.16 42.09 -25.37 2 0 19.50 -999 ? CA CA B 101 >PHE.C 83 72.03 39.15 -20.88 73.10 37.57 -22.93 72.56 38.36 -21.91 3 0 12.23 -999 ? CA CA B 101 >LYS^C 84 67.33 41.23 -17.15 68.25 46.10 -19.72 67.79 43.67 -18.43 2 0 19.23 -999 ? CA CA C 102 >TYR^C 85 68.78 39.17 -13.54 71.02 38.19 -14.94 69.90 38.68 -14.24 3 0 15.49 -999 ? CA CA C 102 >THR^C 86 62.83 40.29 -12.34 60.85 40.39 -13.23 61.84 40.34 -12.78 2 0 20.07 -999 ? CA CA C 102 >VAL^C 87 63.39 40.26 -8.57 65.13 41.00 -7.42 64.26 40.63 -7.99 3 0 14.76 -999 ? CA CA C 102 >LEU^C 88 59.88 37.53 -6.94 58.94 37.11 -8.83 59.41 37.32 -7.88 3 0 20.23 -999 ? CA CA C 102 >SER^C 89 62.04 38.84 -3.09 61.85 36.46 -2.44 61.95 37.65 -2.76 2 0 17.81 -999 ? CA CA C 102 >ILE^C 90 65.94 40.98 -1.51 66.94 41.84 -2.23 66.44 41.41 -1.87 3 0 11.43 -999 ? CA CA C 102 >LYS^C 91 66.02 38.26 2.31 63.93 35.81 6.66 64.97 37.03 4.48 2 0 18.88 -999 ? CA CA C 102 >GLY^C 92 69.02 38.92 4.55 68.32 38.58 4.94 68.67 38.75 4.75 1 0 12.75 -999 ? CA CA C 102 >VAL^C 93 69.82 36.56 7.42 68.82 34.55 7.45 69.32 35.55 7.44 3 0 16.32 -999 ? CA CA C 102 >ASN^C 94 72.65 37.11 11.31 72.69 39.18 11.09 72.67 38.14 11.20 2 0 15.82 -999 ? CA CA C 102 >ASP^C 95 74.37 32.16 9.58 74.27 30.05 10.04 74.32 31.11 9.81 2 0 13.71 -999 ? CA CA C 100 >TRP^C 96 78.63 30.06 15.53 80.13 32.91 17.79 79.38 31.48 16.66 3 0 6.22 -999 ? CA CA C 100 >VAL.C 97 79.50 29.76 11.60 79.22 29.74 9.42 79.36 29.75 10.51 3 0 9.24 -999 ? CA CA C 101 >ARG.C 98 84.13 24.36 13.17 85.54 22.10 14.68 84.84 23.23 13.92 2 0 7.18 -999 ? CA CA C 101 >GLU.C 99 85.86 31.94 13.05 86.93 33.14 14.42 86.39 32.54 13.73 2 0 3.59 -999 ? CA CA C 100s >ASP~D 2 81.19 20.70 -34.92 81.91 20.07 -36.84 81.55 20.39 -35.88 2 0 18.04 -999 ? CA CA B 101 >THR~D 3 83.99 17.02 -33.81 83.72 14.91 -33.57 83.86 15.96 -33.69 2 0 18.99 -999 ? CA CA B 101 >HIS~D 4 86.49 19.87 -38.78 87.91 21.05 -39.78 87.20 20.46 -39.28 3 0 21.14 -999 ? CA CA B 101 >GLU~D 5 83.93 23.15 -35.76 85.07 24.49 -36.95 84.50 23.82 -36.35 2 0 17.08 -999 ? CA CA B 101 >PHE~D 6 86.55 18.17 -29.68 87.59 17.05 -27.34 87.07 17.61 -28.51 3 0 15.07 -999 ? CA CA B 101 >HIS~D 7 89.33 16.18 -33.48 88.34 14.40 -33.00 88.83 15.29 -33.24 3 0 20.09 -999 ? CA CA B 101 >LYS~D 8 90.85 21.95 -34.47 88.10 25.74 -38.04 89.47 23.85 -36.26 2 0 18.88 -999 ? CA CA B 101 >LEU~D 9 89.43 23.45 -30.00 89.17 23.90 -27.87 89.30 23.67 -28.94 3 0 13.02 -999 ? CA CA B 101 >LEU~D 10 92.58 19.01 -29.70 91.32 17.81 -28.36 91.95 18.41 -29.03 3 0 17.57 -999 ? CA CA B 101 >ILE~D 11 95.17 21.27 -33.80 95.37 20.76 -35.12 95.27 21.02 -34.46 3 0 21.55 -999 ? CA CA B 101 >LYS~D 12 95.23 25.07 -31.29 96.74 30.07 -32.55 95.98 27.57 -31.92 2 0 20.10 -999 ? CA CA B 101 >VAL~D 13 95.69 24.23 -27.56 94.60 23.30 -25.87 95.15 23.76 -26.71 3 0 16.72 -999 ? CA CA B 101 >VAL~D 14 99.00 22.55 -28.44 99.63 20.51 -28.96 99.32 21.53 -28.70 3 0 21.80 -999 ? CA CA B 101 >ASP~D 15 99.02 26.11 -31.74 99.38 25.37 -33.66 99.20 25.74 -32.70 2 0 23.14 -999 ? CA CA B 101 >LEU~D 16 98.00 28.21 -27.19 96.51 29.64 -27.94 97.25 28.92 -27.57 3 0 18.20 -999 ? CA CA B 101 >PHE~D 17 102.18 23.46 -24.48 104.40 22.11 -23.43 103.29 22.79 -23.96 3 0 24.02 -999 ? CA CA B 101 >LEU~D 18 104.39 24.93 -29.19 104.58 22.76 -29.42 104.49 23.84 -29.31 3 0 26.09 -999 ? CA CA B 101 >GLU~D 19 102.77 30.14 -30.13 101.22 31.34 -30.95 101.99 30.74 -30.54 2 0 23.31 -999 ? CA CA B 101 >ASP.D 20 105.50 30.00 -23.80 105.88 29.66 -21.75 105.69 29.83 -22.78 2 0 25.69 -999 ? CA CA B 101 >ARG.D 21 99.43 33.47 -26.93 97.93 36.12 -26.92 98.68 34.79 -26.92 2 0 19.99 -999 ? CA CA B 101 >ILE^D 22 98.70 27.07 -22.92 97.44 26.28 -22.98 98.07 26.67 -22.95 3 0 18.08 -999 ? CA CA B 101 >LYS^D 23 102.52 27.54 -19.98 103.12 32.82 -20.56 102.82 30.18 -20.27 2 0 23.25 -999 ? CA CA B 101 >GLU^D 24 101.93 23.91 -16.76 103.24 23.56 -15.10 102.59 23.73 -15.93 2 0 24.39 -999 ? CA CA B 101 >PHE^D 25 98.00 21.61 -22.06 98.57 20.16 -24.37 98.29 20.89 -23.21 3 0 19.86 -999 ? CA CA B 101 >GLU^D 26 98.20 17.58 -17.43 98.08 16.31 -15.73 98.14 16.95 -16.58 2 0 22.49 -999 ? CA CA B 101 >MET?D 27 93.61 17.19 -20.95 92.64 19.87 -24.11 93.12 18.53 -22.53 2 0 15.61 -999 ? CA CA B 101 >LYS^D 28 91.85 13.86 -20.48 90.68 9.17 -18.32 91.27 11.51 -19.40 2 0 20.79 -999 ? CA CA B 100 >LEU^D 29 90.80 13.34 -24.80 91.27 15.39 -25.35 91.03 14.37 -25.07 3 0 18.49 -999 ? CA CA B 101 >ASN^D 30 87.49 8.96 -24.79 87.24 7.09 -25.82 87.36 8.03 -25.31 2 0 22.38 -999 ? CA CA B 100 >THR^D 31 88.24 11.06 -29.16 88.52 13.17 -29.75 88.38 12.12 -29.45 2 0 19.70 -999 ? CA CA B 101 >THR^D 32 89.49 9.63 -32.45 88.97 7.61 -33.11 89.23 8.62 -32.78 2 0 25.89 -999 ? CA CA B 101 >LEU^D 33 93.04 12.38 -34.01 93.05 13.89 -32.44 93.04 13.13 -33.23 3 0 23.60 -999 ? CA CA B 101 >ASP~D 34 91.72 11.10 -39.42 91.81 13.14 -40.02 91.77 12.12 -39.72 2 0 27.14 -999 ? CA CA B 101 >GLU~D 35 98.10 9.85 -40.92 98.70 9.11 -42.80 98.40 9.48 -41.86 2 0 34.63 -999 ? CA CA B 101 >LEU~D 36 95.27 14.89 -41.90 95.59 14.87 -44.08 95.43 14.88 -42.99 3 0 30.05 -999 ? CA CA B 101 >GLU~D 37 92.18 15.88 -37.58 90.30 15.18 -36.93 91.24 15.53 -37.25 2 0 23.17 -999 ? CA CA B 101 >PHE~D 38 98.16 11.66 -34.08 99.52 10.74 -31.77 98.84 11.20 -32.92 3 0 28.22 -999 ? CA CA B 101 >GLU~D 39 100.75 13.17 -39.26 101.10 12.56 -41.24 100.92 12.87 -40.25 2 0 33.23 -999 ? CA CA B 101 >GLU~D 40 97.55 20.66 -37.85 95.91 21.50 -38.86 96.73 21.08 -38.35 2 0 24.76 -999 ? CA CA B 101 >LEU~D 41 97.74 17.05 -32.80 97.08 16.82 -30.71 97.41 16.94 -31.76 3 0 23.44 -999 ? CA CA B 101 >ILE~D 42 102.65 15.92 -33.02 102.74 14.61 -33.49 102.70 15.26 -33.25 3 0 28.91 -999 ? CA CA B 101 >GLY~D 43 103.67 19.61 -35.72 103.89 18.85 -35.40 103.78 19.23 -35.56 1 0 29.11 -999 ? CA CA B 101 >LYS.D 44 107.35 19.38 -36.10 105.35 22.46 -41.28 106.35 20.92 -38.69 2 0 32.82 -999 ? CA CA B 101 >PRO.D 45 107.95 16.24 -33.06 108.73 18.30 -33.50 108.34 17.27 -33.28 3 0 32.74 -999 ? CA CA B 101 >ASP.D 46 113.79 19.22 -31.94 113.29 21.19 -32.51 113.54 20.20 -32.23 2 0 35.79 -999 ? CA CA B 101 >SER^D 47 112.84 14.69 -31.27 113.78 14.94 -29.04 113.31 14.81 -30.16 2 0 37.17 -999 ? CA CA B 101 >SER^D 48 110.35 12.02 -30.37 109.58 10.69 -32.25 109.96 11.35 -31.31 2 0 36.26 -999 ? CA CA B 101 >ASN^D 49 110.45 9.45 -26.88 111.24 8.00 -25.59 110.84 8.73 -26.23 2 0 37.64 -999 ? CA CA B 101 >SER^D 50 107.33 6.21 -28.15 105.57 5.31 -29.59 106.45 5.76 -28.87 2 0 35.61 -999 ? CA CA B 101 >ALA^D 51 106.45 3.55 -25.60 106.82 3.87 -24.17 106.64 3.71 -24.88 2 0 36.62 -999 ? CA CA B 101 >GLU^D 52 102.35 -0.64 -26.94 102.31 -1.91 -28.64 102.33 -1.28 -27.79 2 0 37.08 -999 ? CA CA B 100 >ASN^D 53 102.44 0.11 -21.22 102.26 -1.07 -19.44 102.35 -0.48 -20.33 2 0 33.01 -999 ? CA CA B 100 >ASN.D 54 98.80 -3.23 -21.27 100.04 -3.84 -19.63 99.42 -3.54 -20.45 2 0 31.90 -999 ? CA CA B 100 >GLY.D 55 98.28 -1.83 -26.00 98.54 -1.36 -25.44 98.41 -1.60 -25.72 1 0 32.42 -999 ? CA CA B 100 >ILE^D 56 97.80 2.28 -23.45 96.36 2.47 -23.46 97.08 2.38 -23.45 3 0 29.19 -999 ? CA CA B 100 >PHE^D 57 101.07 3.28 -28.87 101.69 1.04 -30.41 101.38 2.16 -29.64 3 0 35.11 -999 ? CA CA B 101 >ILE^D 58 102.64 7.36 -23.48 102.36 7.72 -22.18 102.50 7.54 -22.83 3 0 30.88 -999 ? CA CA B 101 >ASP^D 59 103.95 9.63 -28.76 103.75 7.94 -30.03 103.85 8.79 -29.40 2 0 32.70 -999 ? CA CA B 101 >GLU^D 60 108.41 12.78 -24.33 109.98 12.06 -23.08 109.20 12.42 -23.70 2 0 34.23 -999 ? CA CA B 101 >TYR^D 61 105.80 14.30 -30.06 104.42 12.23 -31.34 105.11 13.27 -30.70 3 0 30.88 -999 ? CA CA B 101 >SER^D 62 110.35 17.43 -27.64 111.60 16.00 -26.16 110.98 16.72 -26.90 2 0 34.28 -999 ? CA CA B 101 >TYR^D 63 107.99 20.73 -29.50 105.90 19.00 -30.27 106.94 19.87 -29.88 3 0 29.51 -999 ? CA CA B 101 >ASP^D 64 115.07 22.65 -28.82 115.65 20.63 -28.60 115.36 21.64 -28.71 2 0 37.13 -999 ? CA CA B 101 >ALA.D 65 113.15 26.50 -27.02 112.32 26.80 -25.79 112.73 26.65 -26.40 2 0 32.50 -999 ? CA CA B 101 >SER.D 66 116.69 27.38 -25.98 116.48 27.77 -23.58 116.59 27.58 -24.78 2 0 36.37 -999 ? CA CA B 101 >GLU.D 67 122.34 26.29 -24.02 121.94 26.53 -21.95 122.14 26.41 -22.99 2 0 41.80 -999 ? CA CA B 101 >ASN.D 68 118.80 25.90 -20.51 118.66 24.94 -18.60 118.73 25.42 -19.56 2 0 38.73 -999 ? CA CA B 101 >ALA^D 69 114.73 25.05 -22.16 114.00 26.38 -22.00 114.37 25.71 -22.08 2 0 33.89 -999 ? CA CA B 101 >MET?D 70 112.39 22.71 -24.02 114.14 19.12 -23.32 113.27 20.92 -23.67 2 0 35.36 -999 ? CA CA B 101 >LYS^D 71 108.73 21.88 -24.23 105.50 26.06 -22.69 107.11 23.97 -23.46 2 0 25.48 -999 ? CA CA B 101 >LYS^D 72 107.47 18.32 -24.16 112.30 15.42 -21.21 109.89 16.87 -22.68 2 0 34.78 -999 ? CA CA B 101 >LEU^D 73 103.64 17.44 -26.80 101.58 17.78 -27.48 102.61 17.61 -27.14 3 0 25.76 -999 ? CA CA B 101 >PHE^D 74 104.29 13.30 -22.15 106.83 13.63 -21.01 105.56 13.47 -21.58 3 0 29.65 -999 ? CA CA B 101 >VAL^D 75 100.08 12.02 -26.26 99.50 12.89 -28.17 99.79 12.45 -27.21 3 0 26.24 -999 ? CA CA B 101 >GLU^D 76 97.64 7.38 -23.03 96.90 7.49 -21.02 97.27 7.43 -22.02 2 0 27.10 -999 ? CA CA B 101 >TYR^D 77 98.00 7.27 -29.45 100.49 6.66 -30.55 99.24 6.97 -30.00 3 0 30.31 -999 ? CA CA B 101 >VAL^D 78 95.10 3.50 -28.66 93.80 2.17 -27.43 94.45 2.84 -28.04 3 0 29.52 -999 ? CA CA B 100 >ARG^D 79 99.35 2.34 -33.30 102.32 3.15 -33.69 100.83 2.74 -33.50 2 0 36.13 -999 ? CA CA B 101 >GLN^D 80 90.94 3.45 -32.85 90.05 1.91 -31.68 90.49 2.68 -32.27 2 0 29.16 -999 ? CA CA B 100 >PRO.D 81 90.25 -0.89 -36.92 91.82 0.71 -37.18 91.04 -0.09 -37.05 3 0 34.35 -999 ? CA CA B 100 >GLU.D 82 90.31 1.91 -42.20 88.22 2.06 -42.45 89.27 1.99 -42.33 2 0 35.13 -999 ? CA CA B 101 >PHE.D 83 96.86 4.51 -41.12 98.60 2.65 -42.28 97.73 3.58 -41.70 3 0 36.97 -999 ? CA CA B 101 >LYS^D 84 92.95 6.45 -36.63 87.79 7.46 -40.03 90.37 6.95 -38.33 2 0 29.51 -999 ? CA CA B 101 >TYR^D 85 96.23 7.55 -34.27 97.82 6.71 -36.43 97.03 7.13 -35.35 3 0 30.91 -999 ? CA CA B 101 >THR^D 86 91.83 7.28 -30.06 90.20 6.07 -29.37 91.01 6.67 -29.71 2 0 26.19 -999 ? CA CA B 101 >VAL^D 87 93.48 9.96 -27.92 94.53 11.76 -28.57 94.01 10.86 -28.25 3 0 23.75 -999 ? CA CA B 101 >LEU^D 88 93.54 8.09 -23.54 92.51 6.21 -24.06 93.03 7.15 -23.80 3 0 25.34 -999 ? CA CA B 101 >SER^D 89 95.26 12.27 -22.88 96.97 11.13 -21.58 96.12 11.70 -22.23 2 0 24.39 -999 ? CA CA B 101 >ILE^D 90 96.92 16.07 -25.16 96.77 16.51 -26.53 96.84 16.29 -25.84 3 0 21.35 -999 ? CA CA B 101 >LYS^D 91 99.93 16.78 -21.69 99.13 12.18 -17.55 99.53 14.48 -19.62 2 0 25.48 -999 ? CA CA B 101 >GLY^D 92 102.27 19.70 -22.32 102.07 19.51 -21.49 102.17 19.61 -21.90 1 0 23.90 -999 ? CA CA B 101 >VAL^D 93 105.13 20.33 -19.85 105.44 18.26 -19.11 105.28 19.29 -19.48 3 0 26.88 -999 ? CA CA B 101 >ASN^D 94 108.26 23.87 -19.00 106.68 25.03 -19.77 107.47 24.45 -19.39 2 0 26.78 -999 ? CA CA B 101 >ASP^D 95 111.68 19.42 -19.78 112.76 18.00 -18.66 112.22 18.71 -19.22 2 0 -34.40 -999 ? CA CA B 101s >TRP^D 96 114.56 25.52 -18.21 111.08 24.72 -16.58 112.82 25.12 -17.40 3 0 33.04 -999 ? CA CA B 101 >VAL.D 97 118.50 20.46 -19.41 119.79 20.44 -21.16 119.15 20.45 -20.28 3 0 39.84 -999 ? CA CA B 101 >ARG.D 98 123.15 24.19 -16.99 122.04 26.15 -19.10 122.60 25.17 -18.05 2 0 41.97 -999 ? CA CA B 101 >GLU.D 99 119.35 18.73 -11.90 120.02 17.35 -10.41 119.68 18.04 -11.16 2 0 -38.88 -999 ? CA CA C 101s