REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-SEP-07 2RAQ COMPND CONSERVED PROTEIN MTH889; COMPND 3 CHAIN: A, B, C, D, E, F, G; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS; SOURCE 3 ORGANISM_TAXID: 187420; SOURCE 4 STRAIN: DELTA H; SOURCE 5 GENE: MTH889; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) GOLD MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: BL21; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR F.FOROUHAR,M.SU,X.XU,J.SEETHARAMAN,L.MAO,R.XIAO,L-C.MA,K.CONOVER, AUTHOR 2 M.C.BARAN,T.B.ACTON,G.T.MONTELIONE,C.H.ARROWSMITH,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 42 8 HET MSE A 88 8 HET MSE B 42 8 HET MSE B 88 8 HET MSE C 42 8 HET MSE C 88 8 HET MSE D 42 8 HET MSE D 88 8 HET MSE E 42 8 HET MSE E 88 8 HET MSE F 42 8 HET MSE F 88 8 HET MSE G 42 8 HET MSE G 88 8 HET CA A 98 1 HET CA B 98 1 HET CA B 99 1 HET CA A 99 1 HET CA E 98 1 HET CA E 99 1 HET CA F 98 1 HET CA A 100 1 HET CA B 100 1 HET CA C 98 1 HET CA D 98 1 HET CA E 100 1 HET CA G 98 1 HET CA A 101 1 SITE 1 AC1 4 GLU A 43 ASP A 45 ASP D 12 SER D 78 SITE 1 AC2 4 ASP B 12 SER B 78 GLU C 43 ASP C 45 SITE 1 AC3 4 GLU B 43 ASP B 45 ASP C 12 SER C 78 SITE 1 AC4 4 ASP A 12 SER A 78 GLU D 43 ASP D 45 SITE 1 AC5 4 ASP E 12 SER E 78 GLU G 43 ASP G 45 SITE 1 AC6 4 GLU E 43 ASP E 45 ASP G 12 SER G 78 SITE 1 AC7 4 ASP F 12 GLU F 43 ASP F 45 SER F 78 SITE 1 AC8 2 GLU A 91 THR B 93 SITE 1 AC9 2 GLU B 91 THR C 93 SITE 1 BC1 2 GLU C 91 THR D 93 SITE 1 BC2 2 GLU D 91 THR E 93 SITE 1 BC3 3 GLU E 91 HOH E 111 THR F 93 SITE 1 BC4 2 GLU F 91 THR G 93 SITE 1 BC5 2 THR A 93 GLU G 91 >ALA.A 3 -1.85 61.74 4.53 -0.38 62.01 4.10 -1.12 61.88 4.32 2 0 19.86 -999 ? CA CA A 100 >LYS.A 4 -2.91 64.00 7.45 -6.56 62.27 11.14 -4.74 63.13 9.30 2 0 25.16 -999 ? CA CA A 100 >GLY.A 5 -1.57 65.83 10.57 -1.28 65.68 9.78 -1.42 65.75 10.17 1 0 19.09 -999 ? CA CA A 100 >LEU^A 6 3.08 65.91 11.78 2.92 67.03 13.61 3.00 66.47 12.69 3 0 16.15 -999 ? CA CA A 100 >ILE^A 7 3.45 64.94 6.14 2.39 65.75 5.42 2.92 65.35 5.78 3 0 15.15 -999 ? CA CA A 100 >ARG^A 8 10.39 67.14 6.13 10.03 69.63 4.38 10.21 68.38 5.26 2 0 7.40 -999 ? CA CA A 100 >ILE^A 9 8.70 66.20 12.87 7.84 65.89 14.04 8.27 66.05 13.46 3 0 14.02 -999 ? CA CA A 100 >VAL^A 10 12.65 68.46 12.07 13.60 69.39 10.28 13.13 68.93 11.17 3 0 9.29 -999 ? CA CA A 100 >LEU^A 11 13.32 67.93 16.59 12.83 65.82 16.73 13.08 66.87 16.66 3 0 9.76 -999 ? CA CA A 99 >ASP^A 12 18.44 70.69 16.70 18.71 72.06 18.44 18.57 71.37 17.57 2 0 -3.09 -999 ? CA CA A 99s >ILE^A 13 17.90 65.78 19.80 16.95 64.95 18.69 17.43 65.36 19.25 3 0 9.68 -999 ? CA CA A 99 >LEU^A 14 21.89 67.28 23.23 23.73 67.88 24.13 22.81 67.58 23.68 3 0 10.10 -999 ? CA CA A 99 >LYS.A 15 22.83 62.90 22.83 24.62 59.75 18.87 23.73 61.32 20.85 2 0 13.07 -999 ? CA CA B 98 >PRO.A 16 23.38 59.71 25.31 24.88 60.99 24.26 24.13 60.35 24.78 3 0 15.04 -999 ? CA CA A 98 >HIS.A 17 30.14 60.12 21.99 31.23 61.92 21.92 30.68 61.02 21.95 3 0 11.59 -999 ? CA CA B 98 >GLU.A 18 27.43 53.52 22.49 29.33 54.25 21.84 28.38 53.89 22.17 2 0 15.20 -999 ? CA CA B 98 >PRO.A 19 21.78 54.40 22.09 23.78 55.13 21.56 22.78 54.76 21.83 3 0 18.20 -999 ? CA CA B 98 >ILE~A 20 26.77 54.56 17.05 27.52 54.08 15.88 27.15 54.32 16.47 3 0 13.19 -999 ? CA CA B 98 >ILE~A 21 23.92 58.70 14.67 24.71 59.57 13.93 24.31 59.14 14.30 3 0 11.64 -999 ? CA CA B 98 >PRO~A 22 24.94 53.88 13.03 23.01 55.06 13.21 23.97 54.47 13.12 3 0 14.32 -999 ? CA CA B 98 >GLU~A 23 22.58 52.06 17.40 22.76 50.68 15.81 22.67 51.37 16.61 2 0 18.31 -999 ? CA CA B 98 >TYR~A 24 19.25 57.91 18.08 19.33 58.83 20.74 19.29 58.37 19.41 3 0 16.71 -999 ? CA CA A 99 >ALA~A 25 17.89 55.98 12.62 18.88 56.05 11.52 18.39 56.01 12.07 2 0 14.06 -999 ? CA CA B 100 >LYS~A 26 16.89 52.28 12.54 19.11 47.24 11.21 18.00 49.76 11.88 2 0 21.74 -999 ? CA CA B 100 >TYR~A 27 14.21 52.86 18.09 12.20 52.89 20.04 13.21 52.87 19.07 3 0 22.65 -999 ? CA CA A 99 >LEU~A 28 13.05 57.08 14.39 14.00 58.31 15.95 13.53 57.69 15.17 3 0 17.33 -999 ? CA CA B 100 >SER~A 29 11.85 53.88 11.08 13.97 53.63 10.02 12.91 53.75 10.55 2 0 17.56 -999 ? CA CA B 100 >GLU~A 30 11.98 49.88 14.51 12.01 49.31 12.45 12.00 49.60 13.48 2 0 22.78 -999 ? CA CA B 100 >LEU~A 31 8.43 55.72 15.10 8.84 55.46 17.22 8.63 55.59 16.16 3 0 21.73 -999 ? CA CA A 99 >ARG.A 32 0.66 54.92 15.50 0.93 52.67 17.59 0.79 53.79 16.54 2 0 28.14 -999 ? CA CA A 99 >GLY.A 33 3.55 56.09 10.38 4.30 56.04 10.66 3.92 56.07 10.52 1 0 22.94 -999 ? CA CA A 100 >VAL.A 34 7.18 57.00 9.66 8.76 57.40 11.15 7.97 57.20 10.40 3 0 19.31 -999 ? CA CA B 100 >GLU.A 35 6.05 57.88 4.41 5.25 59.64 3.35 5.65 58.76 3.88 2 0 18.51 -999 ? CA CA A 100 >GLY^A 36 11.68 57.54 6.64 11.23 58.10 7.06 11.46 57.82 6.85 1 0 15.42 -999 ? CA CA B 100 >VAL^A 37 14.16 59.42 8.82 14.85 58.92 10.88 14.51 59.17 9.85 3 0 13.15 -999 ? CA CA B 100 >ASN^A 38 17.26 62.50 7.00 19.24 62.95 6.35 18.25 62.73 6.67 2 0 6.32 -999 ? CA CA B 100 >ILE^A 39 20.08 61.05 11.85 19.79 60.67 13.33 19.94 60.86 12.59 3 0 10.84 -999 ? CA CA B 100 >THR^A 40 22.71 64.46 9.89 22.09 66.06 8.52 22.40 65.26 9.21 2 0 4.22 -999 ? CA CA B 100 >LEU^A 41 26.79 64.35 12.28 28.31 64.32 13.85 27.55 64.33 13.06 3 0 7.10 -999 ? CA CA B 98 >MET?A 42 25.57 68.77 13.49 22.98 70.23 11.93 24.28 69.50 12.71 2 0 7.64 -999 ? CA CA B 100 >GLU^A 43 29.46 71.03 17.18 28.90 72.43 18.70 29.18 71.73 17.94 2 0 -3.05 -999 ? CA CA A 98s >ILE^A 44 31.04 65.13 16.89 32.03 64.21 16.35 31.53 64.67 16.62 3 0 5.99 -999 ? CA CA B 98 >ASP.A 45 30.91 68.06 22.15 30.00 69.67 21.04 30.46 68.86 21.59 2 0 -3.41 -999 ? CA CA A 98s >LYS.A 46 33.63 65.11 23.87 37.87 69.42 26.22 35.75 67.26 25.05 2 0 9.29 -999 ? CA CA A 98 >GLU.A 47 30.35 66.14 28.36 30.78 64.39 29.46 30.57 65.27 28.91 2 0 12.42 -999 ? CA CA A 98 >THR.A 48 27.98 64.54 23.81 26.60 66.21 24.06 27.29 65.38 23.94 2 0 8.97 -999 ? CA CA A 98 >GLU^A 49 26.50 62.89 18.61 27.63 61.25 17.89 27.06 62.07 18.25 2 0 9.81 -999 ? CA CA B 98 >ASN^A 50 24.69 68.62 18.36 22.86 69.67 18.57 23.78 69.15 18.46 2 0 7.26 -999 ? CA CA A 99 >ILE^A 51 22.13 64.15 15.53 22.11 63.49 16.88 22.12 63.82 16.21 3 0 12.10 -999 ? CA CA B 100 >LYS^A 52 19.59 67.00 13.41 18.69 71.32 9.95 19.14 69.16 11.68 2 0 7.83 -999 ? CA CA B 100 >VAL^A 53 16.67 64.65 12.90 16.36 63.08 14.33 16.52 63.87 13.62 3 0 11.72 -999 ? CA CA B 100 >THR^A 54 14.36 65.04 9.89 14.71 66.30 8.15 14.54 65.67 9.02 2 0 9.25 -999 ? CA CA B 100 >ILE^A 55 11.23 62.15 11.45 10.62 61.62 12.40 10.93 61.88 11.92 3 0 15.33 -999 ? CA CA B 100 >GLN^A 56 8.40 62.41 5.05 9.16 62.13 3.10 8.78 62.27 4.08 2 0 14.76 -999 ? CA CA A 100 >GLY.A 57 5.65 60.17 7.34 5.42 60.95 7.41 5.53 60.56 7.38 1 0 17.89 -999 ? CA CA A 100 >ASN.A 58 1.13 59.10 7.07 -0.74 59.87 6.43 0.19 59.49 6.75 2 0 21.67 -999 ? CA CA A 100 >ASP.A 59 -1.47 60.61 10.90 -2.85 61.47 12.36 -2.16 61.04 11.63 2 0 23.14 -999 ? CA CA A 100 >LEU.A 60 4.36 61.88 12.51 5.85 61.60 11.07 5.10 61.74 11.79 3 0 17.90 -999 ? CA CA A 100 >ASP~A 61 2.67 59.67 17.30 1.78 59.95 19.23 2.22 59.81 18.26 2 0 22.12 -999 ? CA CA A 99 >PHE~A 62 5.55 65.99 18.76 7.66 67.67 19.41 6.61 66.83 19.09 3 0 14.00 -999 ? CA CA A 99 >ASP~A 63 3.38 62.10 22.43 2.99 64.06 23.27 3.19 63.08 22.85 2 0 19.07 -999 ? CA CA A 99 >GLU~A 64 3.80 56.97 19.80 2.71 56.16 18.13 3.26 56.57 18.96 2 0 24.27 -999 ? CA CA A 99 >ILE~A 65 8.49 61.30 17.56 8.57 60.70 16.80 8.53 61.00 17.18 3 0 16.99 -999 ? CA CA A 99 >THR~A 66 9.64 62.26 21.64 8.43 63.73 22.65 9.04 63.00 22.15 2 0 15.26 -999 ? CA CA A 99 >ARG~A 67 5.47 59.45 26.17 3.95 57.85 23.98 4.71 58.65 25.08 2 0 22.75 -999 ? CA CA A 99 >ALA~A 68 11.20 57.38 22.16 10.85 57.00 20.76 11.02 57.19 21.46 2 0 19.47 -999 ? CA CA A 99 >ILE~A 69 14.16 61.16 21.20 14.90 61.68 19.91 14.53 61.42 20.56 3 0 14.13 -999 ? CA CA A 99 >GLU~A 70 13.27 62.47 26.34 11.70 63.58 27.28 12.49 63.02 26.81 2 0 15.52 -999 ? CA CA A 99 >SER~A 71 14.16 56.43 26.03 12.23 56.12 24.63 13.19 56.27 25.33 2 0 20.58 -999 ? CA CA A 99 >TYR~A 72 17.40 55.02 21.73 17.60 52.47 20.53 17.50 53.75 21.13 3 0 21.40 -999 ? CA CA A 99 >GLY.A 73 18.96 58.66 26.37 18.54 58.98 25.75 18.75 58.82 26.06 1 0 18.02 -999 ? CA CA A 99 >GLY.A 74 18.66 61.70 24.07 18.22 61.60 24.70 18.44 61.65 24.39 1 0 14.32 -999 ? CA CA A 99 >SER^A 75 17.38 65.19 24.70 17.61 67.05 26.17 17.50 66.12 25.44 2 0 10.82 -999 ? CA CA A 99 >ILE^A 76 13.78 67.08 22.03 13.20 66.36 21.77 13.49 66.72 21.90 3 0 9.91 -999 ? CA CA A 99 >HIS^A 77 19.11 70.89 22.76 20.51 70.42 24.25 19.81 70.65 23.51 3 0 6.63 -999 ? CA CA A 99 >SER^A 78 14.18 72.30 19.75 15.59 73.86 18.49 14.88 73.08 19.12 2 0 -2.67 -999 ? CA CA A 99s >VAL^A 79 11.58 71.65 17.09 9.57 70.86 17.19 10.57 71.26 17.14 3 0 8.47 -999 ? CA CA A 99 >ASP^A 80 14.44 73.31 13.67 15.87 73.10 15.31 15.15 73.21 14.49 2 0 4.56 -999 ? CA CA A 99 >GLU^A 81 10.14 73.38 9.16 10.60 72.49 7.34 10.37 72.93 8.25 2 0 5.13 -999 ? CA CA A 100 >VAL^A 82 6.97 71.16 11.27 5.86 70.75 13.05 6.42 70.96 12.16 3 0 11.24 -999 ? CA CA A 100 >VAL^A 83 4.77 70.39 8.23 5.82 70.33 6.28 5.29 70.36 7.25 3 0 10.30 -999 ? CA CA A 100 >ALA^A 84 1.13 69.36 8.45 0.62 69.78 9.80 0.87 69.57 9.12 2 0 15.16 -999 ? CA CA A 100 >GLY^A 85 -1.81 68.51 6.22 -1.17 67.97 6.18 -1.49 68.24 6.20 1 0 17.22 -999 ? CA CA A 100 >ARG.A 86 -5.62 66.65 1.47 -6.60 69.22 0.07 -6.11 67.93 0.77 2 0 21.98 -999 ? CA CA A 100 >THR.A 87 0.89 68.39 1.25 0.49 69.98 -0.19 0.69 69.19 0.53 2 0 15.46 -999 ? CA CA A 100 >MET?A 88 4.62 69.04 1.75 6.61 67.51 3.85 5.62 68.27 2.80 2 0 11.14 -999 ? CA CA A 100 >VAL.A 89 4.47 72.81 1.87 2.80 74.16 2.28 3.63 73.49 2.07 3 0 10.80 -999 ? CA CA A 100 >GLU.A 90 9.00 72.73 0.13 9.79 70.96 0.95 9.40 71.85 0.54 2 0 7.66 -999 ? CA CA A 100 >GLU.A 91 10.30 78.73 5.41 12.31 78.88 6.00 11.30 78.80 5.70 2 0 -3.24 -999 ? CA CA A 100s >VAL.A 92 8.78 80.17 1.31 6.73 80.72 0.56 7.76 80.44 0.93 3 0 6.42 -999 ? CA CA A 101 >THR.A 93 11.74 82.46 2.08 13.61 81.31 1.51 12.68 81.88 1.79 2 0 -5.98 -999 ? CA CA A 101s >THR.A 94 11.31 86.28 2.26 9.30 86.51 3.35 10.31 86.40 2.80 2 0 5.83 -999 ? CA CA A 101 >PRO.A 95 12.35 90.54 1.79 12.61 88.98 3.41 12.48 89.76 2.60 3 0 6.77 -999 ? CA CA A 101 >VAL.B 2 10.41 48.60 -0.83 8.86 48.78 0.79 9.63 48.69 -0.02 3 0 23.77 -999 ? CA CA B 100 >ALA.B 3 13.52 49.35 1.14 14.53 50.38 0.74 14.02 49.87 0.94 2 0 19.70 -999 ? CA CA B 100 >LYS.B 4 13.80 49.05 4.90 14.60 42.85 5.10 14.20 45.95 5.00 2 0 26.21 -999 ? CA CA B 100 >GLY.B 5 16.50 49.76 7.43 16.34 50.29 6.83 16.42 50.03 7.13 1 0 19.24 -999 ? CA CA B 100 >LEU^B 6 21.10 51.33 7.26 21.57 51.79 9.41 21.34 51.56 8.34 3 0 16.53 -999 ? CA CA B 100 >ILE^B 7 18.03 53.36 2.63 16.72 53.75 2.68 17.38 53.55 2.65 3 0 15.35 -999 ? CA CA B 100 >ARG^B 8 22.94 59.29 1.83 20.57 61.16 1.27 21.75 60.23 1.55 2 0 7.79 -999 ? CA CA B 100 >ILE^B 9 25.81 54.87 5.90 25.78 53.85 7.06 25.80 54.36 6.48 3 0 13.59 -999 ? CA CA B 100 >VAL^B 10 27.96 58.82 5.08 27.57 60.62 3.86 27.76 59.72 4.47 3 0 9.09 -999 ? CA CA B 100 >LEU^B 11 31.45 56.74 7.41 30.54 54.85 6.97 31.00 55.80 7.19 3 0 9.92 -999 ? CA CA B 98 >ASP^B 12 34.72 61.47 7.36 35.29 62.37 9.30 35.00 61.92 8.33 2 0 -2.85 -999 ? CA CA B 98s >ILE^B 13 37.31 56.33 7.12 35.88 55.77 6.44 36.60 56.05 6.78 3 0 9.52 -999 ? CA CA B 98 >LEU^B 14 42.03 58.00 9.30 43.53 59.48 9.61 42.78 58.74 9.46 3 0 10.09 -999 ? CA CA B 98 >LYS.B 15 43.16 55.92 5.45 43.61 56.22 0.34 43.39 56.07 2.90 2 0 13.95 -999 ? CA CA B 99 >PRO.B 16 46.34 53.12 6.47 46.02 54.84 5.06 46.18 53.98 5.77 3 0 14.71 -999 ? CA CA B 99 >HIS.B 17 49.23 57.66 1.43 49.82 59.49 2.26 49.53 58.58 1.84 3 0 11.44 -999 ? CA CA B 99 >GLU.B 18 48.61 50.80 -1.17 48.87 52.16 -2.76 48.74 51.48 -1.96 2 0 18.91 -999 ? CA CA B 99 >PRO.B 19 44.04 48.75 0.36 45.13 50.66 -0.06 44.59 49.70 0.15 3 0 19.94 -999 ? CA CA B 99 >ILE~B 20 44.64 53.18 -4.78 44.55 53.46 -6.18 44.60 53.32 -5.48 3 0 18.53 -999 ? CA CA C 98 >ILE~B 21 40.37 56.06 -3.06 40.24 57.40 -3.65 40.31 56.73 -3.35 3 0 13.13 -999 ? CA CA C 98 >PRO~B 22 40.26 54.25 -7.64 39.39 53.28 -5.85 39.82 53.77 -6.74 3 0 15.29 -999 ? CA CA C 98 >GLU~B 23 42.44 49.35 -3.95 42.61 48.18 -5.69 42.53 48.76 -4.82 2 0 21.37 -999 ? CA CA C 98 >TYR~B 24 38.48 51.79 0.37 40.19 51.83 2.56 39.34 51.81 1.46 3 0 16.54 -999 ? CA CA B 98 >ALA~B 25 34.86 51.60 -4.10 35.01 52.73 -5.09 34.94 52.16 -4.59 2 0 14.13 -999 ? CA CA C 98 >LYS~B 26 34.85 48.34 -6.09 35.91 46.50 -11.17 35.38 47.42 -8.63 2 0 21.44 -999 ? CA CA C 98 >TYR~B 27 36.13 45.65 -0.65 35.65 44.12 1.65 35.89 44.89 0.50 3 0 22.13 -999 ? CA CA B 98 >LEU~B 28 32.48 49.48 -0.32 33.39 50.30 1.46 32.93 49.89 0.57 3 0 17.34 -999 ? CA CA C 98 >SER~B 29 30.33 48.16 -4.01 29.62 48.40 -6.29 29.98 48.28 -5.15 2 0 18.19 -999 ? CA CA C 98 >GLU~B 30 32.02 43.44 -4.65 32.70 44.16 -6.53 32.36 43.80 -5.59 2 0 22.37 -999 ? CA CA C 98 >LEU.B 31 28.64 45.08 0.99 30.60 44.93 1.99 29.62 45.00 1.49 3 0 22.04 -999 ? CA CA B 98 >ARG.B 32 22.87 41.79 4.04 24.96 39.57 4.69 23.91 40.68 4.37 2 0 27.13 -999 ? CA CA B 98 >GLY.B 33 22.42 45.08 -0.83 23.23 45.33 -0.66 22.82 45.21 -0.74 1 0 23.21 -999 ? CA CA B 100 >VAL^B 34 24.51 48.06 -1.72 26.47 48.53 -0.80 25.49 48.29 -1.26 3 0 19.36 -999 ? CA CA C 98 >GLU^B 35 20.79 50.50 -3.96 19.34 52.11 -4.14 20.07 51.30 -4.05 2 0 18.28 -999 ? CA CA B 100 >GLY^B 36 26.07 52.11 -4.96 25.95 51.97 -4.18 26.01 52.04 -4.57 1 0 15.30 -999 ? CA CA C 98 >VAL^B 37 28.95 53.68 -3.14 30.85 52.89 -2.53 29.90 53.28 -2.84 3 0 13.33 -999 ? CA CA C 98 >ASN^B 38 29.54 58.14 -3.80 30.40 60.01 -4.28 29.97 59.08 -4.04 2 0 6.50 -999 ? CA CA C 98 >ILE^B 39 35.10 57.02 -2.13 35.84 56.03 -1.47 35.47 56.52 -1.80 3 0 10.99 -999 ? CA CA C 98 >THR^B 40 35.14 61.69 -2.42 33.49 63.25 -2.53 34.32 62.47 -2.47 2 0 4.22 -999 ? CA CA C 98 >LEU^B 41 39.73 62.66 -2.35 41.70 63.21 -1.77 40.72 62.94 -2.06 3 0 10.14 -999 ? CA CA C 98 >MET?B 42 38.66 65.12 1.67 35.63 65.47 2.34 37.15 65.29 2.00 2 0 8.06 -999 ? CA CA C 98 >GLU^B 43 43.41 67.55 3.93 43.56 68.18 5.99 43.49 67.87 4.96 2 0 -2.69 -999 ? CA CA B 99s >ILE.B 44 45.58 63.90 -0.47 46.19 63.88 -1.70 45.88 63.89 -1.09 3 0 8.59 -999 ? CA CA B 99 >ASP.B 45 47.67 64.23 5.41 46.08 65.54 6.17 46.87 64.89 5.79 2 0 -3.16 -999 ? CA CA B 99s >LYS.B 46 51.59 63.06 3.73 55.79 66.67 6.84 53.69 64.87 5.28 2 0 9.83 -999 ? CA CA B 99 >GLU.B 47 52.71 60.06 8.37 53.24 58.34 7.20 52.98 59.20 7.78 2 0 12.57 -999 ? CA CA B 99 >THR.B 48 47.59 59.57 5.89 45.99 60.01 7.22 46.79 59.79 6.55 2 0 8.77 -999 ? CA CA B 99 >GLU.B 49 43.68 59.72 1.69 44.44 59.02 -0.11 44.06 59.37 0.79 2 0 11.59 -999 ? CA CA B 99 >ASN^B 50 40.72 63.04 5.51 39.06 62.96 6.83 39.89 63.00 6.17 2 0 6.61 -999 ? CA CA B 98 >ILE^B 51 38.70 59.33 1.59 39.26 57.99 2.17 38.98 58.66 1.88 3 0 11.88 -999 ? CA CA B 98 >LYS^B 52 34.42 60.43 2.60 30.23 64.92 2.85 32.32 62.67 2.72 2 0 7.64 -999 ? CA CA C 98 >VAL^B 53 32.28 57.37 1.87 33.13 55.38 1.89 32.70 56.37 1.88 3 0 11.96 -999 ? CA CA C 98 >THR^B 54 28.61 57.79 0.91 27.48 59.48 0.29 28.05 58.64 0.60 2 0 9.35 -999 ? CA CA C 98 >ILE^B 55 27.71 53.40 1.85 27.98 52.41 2.42 27.85 52.91 2.14 3 0 15.49 -999 ? CA CA C 98 >GLN^B 56 21.99 54.52 -1.92 21.90 56.07 -3.37 21.94 55.30 -2.64 2 0 14.16 -999 ? CA CA C 98 >GLY^B 57 21.39 50.48 -0.54 21.01 50.95 0.01 21.20 50.71 -0.26 1 0 18.01 -999 ? CA CA B 100 >ASN.B 58 17.94 47.49 0.33 16.04 47.27 1.17 16.99 47.38 0.75 2 0 21.86 -999 ? CA CA B 100 >ASP.B 59 17.80 45.79 5.13 17.92 45.15 7.22 17.86 45.47 6.18 2 0 23.19 -999 ? CA CA B 100 >LEU.B 60 22.86 49.13 4.63 23.36 49.84 2.70 23.11 49.49 3.66 3 0 18.14 -999 ? CA CA B 100 >ASP~B 61 24.94 44.85 7.72 25.68 44.20 9.62 25.31 44.53 8.67 2 0 21.80 -999 ? CA CA B 98 >PHE~B 62 27.08 50.92 10.99 29.01 52.59 12.08 28.04 51.76 11.54 3 0 13.89 -999 ? CA CA B 98 >ASP~B 63 28.18 45.42 12.00 27.68 46.68 13.67 27.93 46.05 12.84 2 0 18.80 -999 ? CA CA B 98 >GLU~B 64 28.31 42.52 6.43 26.68 42.20 5.15 27.49 42.36 5.79 2 0 24.05 -999 ? CA CA B 98 >ILE~B 65 29.62 49.07 6.17 29.18 49.19 4.67 29.40 49.13 5.42 3 0 16.88 -999 ? CA CA B 98 >THR~B 66 32.49 49.10 9.44 32.15 48.99 11.61 32.32 49.04 10.53 2 0 15.27 -999 ? CA CA B 98 >ARG~B 67 33.39 42.74 11.60 30.61 41.67 10.64 32.00 42.21 11.12 2 0 22.75 -999 ? CA CA B 98 >ALA~B 68 35.20 45.79 5.60 34.15 45.88 4.53 34.68 45.84 5.07 2 0 19.46 -999 ? CA CA B 98 >ILE~B 69 35.99 50.45 6.49 35.43 51.62 6.62 35.71 51.03 6.56 3 0 13.98 -999 ? CA CA B 98 >GLU~B 70 37.72 49.20 10.76 37.20 48.87 12.77 37.46 49.04 11.76 2 0 15.51 -999 ? CA CA B 98 >SER~B 71 40.11 45.19 6.95 37.87 44.36 6.49 38.99 44.77 6.72 2 0 20.61 -999 ? CA CA B 98 >TYR~B 72 40.31 47.23 1.86 39.95 45.69 -0.49 40.13 46.46 0.69 3 0 21.40 -999 ? CA CA B 98 >GLY.B 73 43.22 49.32 6.96 42.48 49.56 6.73 42.85 49.44 6.84 1 0 17.74 -999 ? CA CA B 98 >GLY.B 74 40.62 52.12 7.17 40.83 51.61 7.77 40.72 51.86 7.47 1 0 14.11 -999 ? CA CA B 98 >SER^B 75 39.33 53.80 10.31 40.16 55.28 11.99 39.75 54.54 11.15 2 0 10.50 -999 ? CA CA B 98 >ILE^B 76 34.62 54.65 11.20 34.21 54.19 10.57 34.41 54.42 10.89 3 0 9.67 -999 ? CA CA B 98 >HIS^B 77 38.54 59.72 11.98 40.59 59.29 11.96 39.57 59.50 11.97 3 0 6.89 -999 ? CA CA B 98 >SER^B 78 32.74 59.73 12.55 32.62 62.08 11.81 32.68 60.90 12.18 2 0 -2.74 -999 ? CA CA B 98s >VAL^B 79 29.52 58.75 10.82 28.18 57.00 10.94 28.85 57.88 10.88 3 0 8.37 -999 ? CA CA B 98 >ASP^B 80 29.07 62.78 8.46 31.10 63.15 9.23 30.08 62.97 8.85 2 0 4.10 -999 ? CA CA B 98 >GLU^B 81 23.02 62.07 6.53 22.55 62.66 4.55 22.78 62.37 5.54 2 0 4.98 -999 ? CA CA B 100 >VAL^B 82 22.26 58.15 8.11 22.35 56.56 9.54 22.30 57.36 8.82 3 0 11.05 -999 ? CA CA B 100 >VAL^B 83 18.96 57.57 6.29 18.36 58.80 4.55 18.66 58.18 5.42 3 0 10.48 -999 ? CA CA B 100 >ALA^B 84 16.81 54.63 7.45 17.05 54.13 8.85 16.93 54.38 8.15 2 0 15.36 -999 ? CA CA B 100 >GLY^B 85 13.43 53.37 6.35 13.92 53.38 5.75 13.68 53.37 6.05 1 0 17.34 -999 ? CA CA B 100 >ARG.B 86 7.37 53.21 2.31 4.85 53.69 4.07 6.11 53.45 3.19 2 0 23.05 -999 ? CA CA B 100 >THR.B 87 11.94 56.36 1.61 10.72 58.21 1.82 11.33 57.28 1.71 2 0 15.91 -999 ? CA CA B 100 >MET?B 88 15.10 58.53 0.97 18.39 57.90 0.68 16.75 58.21 0.82 2 0 11.58 -999 ? CA CA B 100 >VAL.B 89 14.63 61.59 3.21 13.11 61.89 4.77 13.87 61.74 3.99 3 0 11.06 -999 ? CA CA B 100 >GLU.B 90 17.32 64.70 0.09 19.03 63.49 0.07 18.18 64.09 0.08 2 0 7.51 -999 ? CA CA B 100 >GLU.B 91 19.70 68.13 6.97 21.49 69.26 6.78 20.59 68.69 6.88 2 0 -3.14 -999 ? CA CA B 100s >VAL.B 92 15.99 70.04 5.61 13.80 70.05 6.26 14.89 70.05 5.94 3 0 6.16 -999 ? CA CA A 100 >THR.B 93 17.68 73.31 6.52 18.35 73.74 4.53 18.02 73.53 5.52 2 0 -5.27 -999 ? CA CA A 100s >THR.B 94 16.58 76.00 9.02 16.36 75.14 11.14 16.47 75.57 10.08 2 0 6.57 -999 ? CA CA A 100 >PRO.B 95 15.81 80.19 10.31 17.44 78.59 10.50 16.63 79.39 10.41 3 0 6.86 -999 ? CA CA A 100 >ALA.C 3 25.69 48.47 -14.75 25.15 49.88 -14.80 25.42 49.17 -14.78 2 0 20.47 -999 ? CA CA C 98 >LYS.C 4 28.32 47.47 -12.08 30.02 43.75 -14.92 29.17 45.61 -13.50 2 0 24.97 -999 ? CA CA C 98 >GLY.C 5 31.75 48.32 -10.56 31.16 48.85 -10.67 31.46 48.58 -10.61 1 0 19.07 -999 ? CA CA C 98 >LEU^C 6 34.85 51.96 -11.43 36.34 52.18 -9.88 35.60 52.07 -10.65 3 0 16.12 -999 ? CA CA C 98 >ILE^C 7 29.41 53.88 -12.61 28.29 53.44 -11.78 28.85 53.66 -12.20 3 0 15.11 -999 ? CA CA C 98 >ARG^C 8 31.28 60.81 -12.18 29.31 61.49 -9.89 30.30 61.15 -11.04 2 0 7.60 -999 ? CA CA C 98 >ILE^C 9 37.13 57.53 -12.55 38.00 56.50 -12.65 37.57 57.01 -12.60 3 0 13.79 -999 ? CA CA C 98 >VAL^C 10 37.34 61.99 -11.29 35.74 63.36 -10.77 36.54 62.67 -11.03 3 0 9.03 -999 ? CA CA C 98 >LEU^C 11 41.80 61.64 -11.63 41.41 60.45 -13.41 41.60 61.05 -12.52 3 0 13.94 -999 ? CA CA C 98 >ASP^C 12 43.11 67.11 -10.51 44.63 67.31 -9.00 43.87 67.21 -9.76 2 0 -13.89 -999 ? CA CA C 98s >ILE^C 13 45.99 64.68 -15.01 44.75 63.69 -14.85 45.37 64.19 -14.93 3 0 16.45 -999 ? CA CA D 98 >LEU^C 14 50.34 67.73 -13.86 51.52 69.53 -13.71 50.93 68.63 -13.78 3 0 19.57 -999 ? CA CA D 98 >LYS.C 15 49.80 68.02 -18.41 46.55 69.60 -22.13 48.17 68.81 -20.27 2 0 17.13 -999 ? CA CA D 98 >PRO.C 16 53.58 67.37 -20.52 52.06 69.04 -20.31 52.82 68.21 -20.42 3 0 22.43 -999 ? CA CA D 98 >HIS.C 17 51.01 74.07 -22.26 51.38 75.35 -20.65 51.19 74.71 -21.45 3 0 20.54 -999 ? CA CA D 98 >GLU.C 18 50.86 69.33 -28.34 50.35 71.30 -28.92 50.61 70.32 -28.63 2 0 23.73 -999 ? CA CA D 98 >PRO.C 19 48.64 64.86 -25.98 49.09 67.10 -26.07 48.86 65.98 -26.02 3 0 22.08 -999 ? CA CA D 98 >ILE~C 20 45.27 70.50 -27.99 44.17 71.42 -28.57 44.72 70.96 -28.28 3 0 19.27 -999 ? CA CA D 98 >ILE~C 21 42.58 69.66 -23.08 42.29 70.94 -22.37 42.43 70.30 -22.72 3 0 13.99 -999 ? CA CA D 98 >PRO~C 22 39.87 70.26 -27.42 40.57 68.36 -26.54 40.22 69.31 -26.98 3 0 15.96 -999 ? CA CA D 98 >GLU~C 23 44.73 66.11 -28.97 43.64 65.85 -30.75 44.18 65.98 -29.86 2 0 21.85 -999 ? CA CA D 98 >TYR~C 24 44.11 64.34 -22.62 46.73 64.13 -21.74 45.42 64.23 -22.18 3 0 18.35 -999 ? CA CA D 98 >ALA~C 25 38.53 63.84 -24.41 37.76 65.11 -24.67 38.14 64.47 -24.54 2 0 14.88 -999 ? CA CA D 98 >LYS~C 26 38.26 62.30 -27.90 36.36 63.75 -33.08 37.31 63.02 -30.49 2 0 21.98 -999 ? CA CA D 98 >TYR~C 27 42.97 58.50 -26.33 44.31 56.06 -25.80 43.64 57.28 -26.06 3 0 23.50 -999 ? CA CA D 98 >LEU~C 28 39.28 59.64 -22.17 41.04 59.65 -20.82 40.16 59.64 -21.49 3 0 17.95 -999 ? CA CA D 98 >SER~C 29 35.86 58.17 -25.09 35.25 60.29 -26.09 35.56 59.23 -25.59 2 0 18.41 -999 ? CA CA D 98 >GLU~C 30 38.75 56.04 -28.42 37.07 56.92 -29.43 37.91 56.48 -28.93 2 0 23.41 -999 ? CA CA D 98 >LEU~C 31 39.00 53.38 -22.36 41.13 54.03 -22.40 40.06 53.70 -22.38 3 0 23.20 -999 ? CA CA D 98 >ARG.C 32 36.44 46.91 -19.63 39.00 45.86 -21.00 37.72 46.39 -20.32 2 0 27.38 -999 ? CA CA C 98 >GLY.C 33 32.55 51.18 -21.86 33.18 51.60 -21.71 32.87 51.39 -21.78 1 0 23.09 -999 ? CA CA C 98 >VAL.C 34 32.81 54.92 -21.35 34.73 55.98 -21.04 33.77 55.45 -21.20 3 0 19.79 -999 ? CA CA D 98 >GLU.C 35 27.79 55.53 -19.90 26.79 55.77 -18.00 27.29 55.65 -18.95 2 0 17.80 -999 ? CA CA C 98 >GLY^C 36 31.40 59.96 -21.61 31.70 59.55 -21.02 31.55 59.76 -21.32 1 0 15.81 -999 ? CA CA D 98 >VAL^C 37 34.22 62.13 -20.35 36.21 62.30 -21.17 35.21 62.21 -20.76 3 0 13.78 -999 ? CA CA D 98 >ASN^C 38 33.24 66.16 -18.07 33.38 68.20 -17.50 33.31 67.18 -17.79 2 0 6.74 -999 ? CA CA D 98 >ILE^C 39 38.67 67.51 -19.99 40.02 67.03 -20.12 39.34 67.27 -20.05 3 0 11.50 -999 ? CA CA D 98 >THR^C 40 37.56 71.19 -17.50 36.07 71.08 -15.85 36.82 71.13 -16.68 2 0 5.19 -999 ? CA CA D 98 >LEU^C 41 40.75 74.63 -18.34 42.71 75.48 -18.32 41.73 75.06 -18.33 3 0 10.66 -999 ? CA CA D 98 >MET?C 42 41.72 74.09 -13.70 39.82 72.38 -12.08 40.77 73.23 -12.89 2 0 8.13 -999 ? CA CA D 98 >GLU.C 43 46.47 77.44 -12.03 47.67 77.16 -10.29 47.07 77.30 -11.16 2 0 -16.39 -999 ? CA CA D 98s >ILE.C 44 45.91 77.75 -17.92 45.39 78.48 -18.93 45.65 78.12 -18.42 3 0 14.92 -999 ? CA CA D 98 >ASP.C 45 51.26 76.78 -14.84 49.97 76.71 -13.13 50.62 76.74 -13.98 2 0 -18.17 -999 ? CA CA D 98s >LYS.C 46 53.57 78.14 -18.40 57.34 82.41 -15.42 55.46 80.27 -16.91 2 0 26.73 -999 ? CA CA D 98 >GLU.C 47 57.85 74.35 -18.56 58.76 72.78 -19.65 58.31 73.56 -19.10 2 0 27.31 -999 ? CA CA D 98 >THR.C 48 52.27 73.08 -17.77 52.45 72.08 -15.82 52.36 72.58 -16.80 2 0 20.54 -999 ? CA CA D 98 >GLU.C 49 46.46 72.77 -18.85 46.14 73.34 -20.84 46.30 73.05 -19.84 2 0 15.64 -999 ? CA CA D 98 >ASN^C 50 46.04 72.38 -13.25 46.68 71.41 -11.48 46.36 71.90 -12.36 2 0 15.03 -999 ? CA CA D 98 >ILE^C 51 42.72 69.41 -17.22 43.80 68.94 -17.50 43.26 69.18 -17.36 3 0 12.57 -999 ? CA CA D 98 >LYS^C 52 40.07 67.96 -13.98 35.27 69.43 -10.58 37.67 68.69 -12.28 2 0 6.43 -999 ? CA CA D 98 >VAL^C 53 39.00 64.79 -15.77 40.10 63.69 -17.27 39.55 64.24 -16.52 3 0 12.41 -999 ? CA CA D 98 >THR^C 54 35.59 63.38 -15.06 34.06 64.62 -14.22 34.82 64.00 -14.64 2 0 9.41 -999 ? CA CA D 98 >ILE^C 55 36.28 59.24 -16.75 37.16 58.49 -17.22 36.72 58.86 -16.98 3 0 15.47 -999 ? CA CA C 98 >GLN^C 56 29.35 58.34 -16.45 27.89 59.90 -16.29 28.62 59.12 -16.37 2 0 13.92 -999 ? CA CA C 98 >GLY.C 57 30.68 54.51 -17.90 30.74 54.44 -17.07 30.71 54.48 -17.49 1 0 17.92 -999 ? CA CA C 98 >ASN.C 58 29.14 49.95 -17.69 28.41 48.54 -16.27 28.78 49.25 -16.98 2 0 21.60 -999 ? CA CA C 98 >ASP.C 59 32.57 47.18 -15.71 33.71 45.80 -14.45 33.14 46.49 -15.08 2 0 22.97 -999 ? CA CA C 98 >LEU.C 60 35.53 52.53 -15.46 34.33 54.11 -16.34 34.93 53.32 -15.90 3 0 17.67 -999 ? CA CA C 98 >ASP~C 61 39.66 49.34 -17.38 41.16 47.81 -17.18 40.41 48.57 -17.28 2 0 24.48 -999 ? CA CA C 98 >PHE~C 62 41.98 53.04 -11.42 43.15 55.28 -10.20 42.56 54.16 -10.81 3 0 17.65 -999 ? CA CA C 98 >ASP~C 63 45.34 49.70 -13.94 44.29 49.01 -12.19 44.81 49.36 -13.07 2 0 22.90 -999 ? CA CA C 98 >GLU~C 64 42.58 50.62 -20.32 40.83 49.90 -21.30 41.71 50.26 -20.81 2 0 25.31 -999 ? CA CA C 98 >ILE~C 65 41.67 55.38 -16.76 40.71 56.19 -17.52 41.19 55.78 -17.14 3 0 19.12 -999 ? CA CA C 98 >THR~C 66 45.74 55.48 -15.57 46.71 54.49 -13.84 46.23 54.99 -14.71 2 0 21.44 -999 ? CA CA C 98 >ARG~C 67 49.99 50.61 -18.17 47.43 48.96 -17.74 48.71 49.78 -17.96 2 0 27.06 -999 ? CA CA C 98 >ALA~C 68 46.11 55.47 -21.11 44.63 55.32 -21.36 45.37 55.40 -21.23 2 0 23.53 -999 ? CA CA D 98 >ILE~C 69 46.07 59.34 -18.24 45.61 60.50 -17.34 45.84 59.92 -17.79 3 0 19.93 -999 ? CA CA D 98 >GLU~C 70 50.39 57.91 -16.86 51.01 56.40 -15.52 50.70 57.15 -16.19 2 0 24.52 -999 ? CA CA C 98 >SER~C 71 50.59 57.41 -22.86 48.99 55.57 -22.67 49.79 56.49 -22.77 2 0 26.35 -999 ? CA CA D 98 >TYR.C 72 47.85 61.01 -24.43 46.29 60.28 -26.61 47.07 60.64 -25.52 3 0 23.04 -999 ? CA CA D 98 >GLY.C 73 52.87 62.51 -21.16 52.02 62.50 -21.09 52.45 62.50 -21.13 1 0 24.73 -999 ? CA CA D 98 >GLY.C 74 50.10 63.37 -18.70 50.62 62.70 -18.50 50.36 63.04 -18.60 1 0 21.35 -999 ? CA CA D 98 >SER^C 75 50.25 62.78 -14.95 51.98 62.46 -13.36 51.12 62.62 -14.16 2 0 21.17 -999 ? CA CA B 99 >ILE^C 76 47.12 60.40 -12.02 46.43 59.97 -12.44 46.77 60.19 -12.23 3 0 18.19 -999 ? CA CA C 98 >HIS^C 77 49.28 66.21 -9.63 51.08 67.07 -10.28 50.18 66.64 -9.95 3 0 16.59 -999 ? CA CA B 99 >SER^C 78 45.26 62.58 -7.26 43.89 64.36 -6.28 44.57 63.47 -6.77 2 0 -12.66 -999 ? CA CA C 98s >VAL^C 79 42.01 60.58 -7.63 41.75 58.40 -7.81 41.88 59.49 -7.72 3 0 12.86 -999 ? CA CA C 98 >ASP^C 80 39.02 64.35 -7.11 40.70 65.69 -7.35 39.86 65.02 -7.23 2 0 9.64 -999 ? CA CA C 98 >GLU^C 81 33.77 61.33 -6.27 32.10 62.23 -7.24 32.93 61.78 -6.75 2 0 5.01 -999 ? CA CA C 98 >VAL^C 82 35.18 57.37 -7.32 36.88 56.04 -7.42 36.03 56.70 -7.37 3 0 11.07 -999 ? CA CA C 98 >VAL^C 83 31.66 55.85 -7.72 29.85 57.06 -7.90 30.76 56.46 -7.81 3 0 10.50 -999 ? CA CA C 98 >ALA^C 84 30.83 52.12 -7.83 31.94 51.31 -7.20 31.39 51.71 -7.52 2 0 15.34 -999 ? CA CA C 98 >GLY.C 85 27.86 49.81 -8.02 27.93 50.27 -8.68 27.90 50.04 -8.35 1 0 17.34 -999 ? CA CA C 98 >ARG.C 86 21.28 47.29 -8.99 19.46 47.83 -6.59 20.37 47.56 -7.79 2 0 22.24 -999 ? CA CA C 98 >THR.C 87 23.42 53.10 -9.34 21.71 53.93 -8.18 22.56 53.51 -8.76 2 0 16.28 -999 ? CA CA C 98 >MET?C 88 25.08 56.58 -9.46 27.70 58.08 -11.07 26.39 57.33 -10.27 2 0 11.26 -999 ? CA CA C 98 >VAL.C 89 25.52 57.92 -5.94 25.32 56.78 -4.09 25.42 57.35 -5.01 3 0 10.92 -999 ? CA CA C 98 >GLU.C 90 25.00 62.51 -7.23 26.28 62.94 -8.83 25.64 62.72 -8.03 2 0 7.61 -999 ? CA CA C 98 >GLU.C 91 30.17 64.00 -1.00 31.08 65.90 -0.60 30.63 64.95 -0.80 2 0 -3.98 -999 ? CA CA C 98s >VAL.C 92 25.96 64.35 0.33 25.00 62.69 1.37 25.48 63.52 0.85 3 0 6.08 -999 ? CA CA B 100 >THR.C 93 27.15 67.50 2.09 26.76 69.05 0.69 26.95 68.28 1.39 2 0 -5.59 -999 ? CA CA B 100s >THR.C 94 27.27 68.15 5.81 27.79 66.29 6.90 27.53 67.22 6.35 2 0 5.20 -999 ? CA CA B 100 >PRO.C 95 27.15 70.57 9.52 28.69 69.63 8.16 27.92 70.10 8.84 3 0 6.70 -999 ? CA CA B 100 >ALA.D 3 26.44 61.36 -29.88 26.16 62.15 -28.60 26.30 61.75 -29.24 2 0 19.58 -999 ? CA CA D 98 >LYS.D 4 30.15 60.46 -30.16 31.71 58.15 -35.71 30.93 59.30 -32.93 2 0 26.76 -999 ? CA CA D 98 >GLY.D 5 33.60 62.07 -29.95 32.82 62.25 -29.60 33.21 62.16 -29.78 1 0 19.85 -999 ? CA CA D 98 >LEU^D 6 34.29 66.92 -29.55 36.35 67.14 -28.81 35.32 67.03 -29.18 3 0 16.93 -999 ? CA CA D 98 >ILE^D 7 29.05 65.68 -27.34 29.12 64.49 -26.33 29.08 65.08 -26.83 3 0 15.79 -999 ? CA CA D 98 >ARG^D 8 29.32 72.08 -23.27 27.78 70.85 -20.90 28.55 71.46 -22.09 2 0 8.63 -999 ? CA CA D 98 >ILE^D 9 33.95 72.76 -27.55 34.82 72.43 -28.50 34.38 72.60 -28.02 3 0 14.25 -999 ? CA CA D 98 >VAL^D 10 33.63 75.75 -24.05 32.43 75.47 -22.24 33.03 75.61 -23.14 3 0 9.35 -999 ? CA CA D 98 >LEU^D 11 36.92 77.80 -26.21 36.37 77.70 -28.28 36.65 77.75 -27.25 3 0 14.54 -999 ? CA CA D 98 >ASP^D 12 37.32 82.49 -22.86 39.42 82.66 -22.47 38.37 82.58 -22.66 2 0 -14.27 -999 ? CA CA D 98s >ILE^D 13 37.62 83.45 -28.51 36.07 83.15 -28.85 36.84 83.30 -28.68 3 0 16.24 -999 ? CA CA E 100 >LEU^D 14 40.85 87.91 -27.32 41.37 89.88 -26.66 41.11 88.90 -26.99 3 0 17.36 -999 ? CA CA E 98 >LYS^D 15 37.75 89.54 -30.30 32.59 91.35 -30.46 35.17 90.45 -30.38 2 0 12.46 -999 ? CA CA E 98 >PRO^D 16 38.37 91.43 -33.82 37.94 92.25 -31.83 38.15 91.84 -32.82 3 0 17.16 -999 ? CA CA E 98 >HIS.D 17 34.74 96.73 -30.10 35.32 97.59 -28.27 35.03 97.16 -29.19 3 0 11.61 -999 ? CA CA E 98 >GLU.D 18 32.02 94.99 -36.69 31.48 96.77 -35.69 31.75 95.88 -36.19 2 0 15.55 -999 ? CA CA E 98 >PRO.D 19 32.79 89.63 -37.53 32.75 91.42 -36.21 32.77 90.52 -36.87 3 0 18.22 -999 ? CA CA E 98 >ILE~D 20 28.01 92.61 -34.02 26.74 93.18 -34.00 27.37 92.90 -34.01 3 0 13.80 -999 ? CA CA E 98 >ILE~D 21 28.54 88.91 -29.87 27.85 89.23 -28.50 28.19 89.07 -29.18 3 0 11.53 -999 ? CA CA E 98 >PRO~D 22 24.46 89.99 -32.94 25.58 88.13 -32.55 25.02 89.06 -32.75 3 0 14.42 -999 ? CA CA E 98 >GLU~D 23 27.45 89.82 -37.04 25.89 89.56 -38.42 26.67 89.69 -37.73 2 0 19.11 -999 ? CA CA E 98 >TYR~D 24 31.52 85.72 -33.62 34.08 86.82 -33.82 32.80 86.27 -33.72 3 0 17.71 -999 ? CA CA E 98 >ALA~D 25 26.48 83.08 -33.16 25.45 83.67 -32.24 25.97 83.37 -32.70 2 0 14.48 -999 ? CA CA E 100 >LYS~D 26 24.59 82.73 -36.45 21.65 85.09 -40.38 23.12 83.91 -38.42 2 0 22.87 -999 ? CA CA E 100 >TYR~D 27 30.08 81.84 -39.41 32.09 80.69 -41.00 31.08 81.26 -40.21 3 0 23.42 -999 ? CA CA E 100 >LEU~D 28 29.25 79.24 -34.37 31.08 80.34 -33.80 30.17 79.79 -34.09 3 0 17.61 -999 ? CA CA E 100 >SER~D 29 25.21 77.35 -35.96 23.90 79.33 -35.57 24.55 78.34 -35.76 2 0 18.35 -999 ? CA CA E 100 >GLU~D 30 26.41 77.78 -41.41 24.92 79.00 -40.52 25.66 78.39 -40.96 2 0 23.23 -999 ? CA CA E 100 >LEU.D 31 30.54 74.43 -37.60 31.41 76.41 -38.33 30.98 75.42 -37.97 3 0 22.68 -999 ? CA CA E 100 >ARG.D 32 31.42 67.34 -41.08 31.20 69.07 -43.61 31.31 68.20 -42.35 2 0 29.98 -999 ? CA CA D 98 >GLY.D 33 27.09 68.59 -36.61 27.31 69.35 -36.53 27.20 68.97 -36.57 1 0 23.71 -999 ? CA CA D 98 >VAL.D 34 26.39 71.62 -34.43 27.74 73.43 -34.29 27.06 72.53 -34.36 3 0 20.13 -999 ? CA CA E 100 >GLU.D 35 23.35 68.88 -31.30 23.16 67.53 -29.64 23.25 68.21 -30.47 2 0 19.05 -999 ? CA CA D 98 >GLY^D 36 23.63 74.92 -31.05 24.31 74.56 -30.77 23.97 74.74 -30.91 1 0 15.96 -999 ? CA CA E 100 >VAL^D 37 25.74 77.79 -29.71 27.21 79.03 -30.80 26.47 78.41 -30.25 3 0 13.66 -999 ? CA CA E 100 >ASN^D 38 25.48 79.64 -25.27 25.03 81.19 -23.85 25.25 80.42 -24.56 2 0 6.58 -999 ? CA CA E 100 >ILE^D 39 28.46 83.80 -27.80 29.39 84.07 -28.82 28.92 83.94 -28.31 3 0 11.31 -999 ? CA CA E 100 >THR^D 40 27.94 85.42 -23.33 27.57 84.14 -21.56 27.76 84.78 -22.44 2 0 4.70 -999 ? CA CA E 100 >LEU^D 41 29.22 89.94 -23.32 30.56 91.59 -23.50 29.89 90.76 -23.41 3 0 7.26 -999 ? CA CA E 98 >MET?D 42 32.73 88.35 -20.53 32.87 85.32 -19.56 32.80 86.83 -20.04 2 0 8.40 -999 ? CA CA E 100 >GLU^D 43 36.47 92.84 -19.02 38.34 92.42 -18.05 37.40 92.63 -18.54 2 0 -12.50 -999 ? CA CA E 98s >ILE.D 44 32.86 94.81 -23.14 31.68 95.66 -23.09 32.27 95.24 -23.12 3 0 5.99 -999 ? CA CA E 98 >ASP.D 45 39.10 95.69 -22.90 39.16 93.68 -21.94 39.13 94.68 -22.42 2 0 -12.63 -999 ? CA CA E 98s >LYS.D 46 38.12 99.44 -25.22 41.96 103.25 -22.72 40.04 101.34 -23.97 2 0 16.36 -999 ? CA CA E 98 >GLU.D 47 42.36 98.37 -28.33 41.95 99.51 -30.07 42.16 98.94 -29.20 2 0 17.78 -999 ? CA CA E 98 >THR^D 48 38.45 94.49 -27.89 39.98 93.21 -27.07 39.21 93.85 -27.48 2 0 14.87 -999 ? CA CA E 98 >GLU^D 49 33.43 92.03 -26.76 31.91 93.05 -27.80 32.67 92.54 -27.28 2 0 9.37 -999 ? CA CA E 98 >ASN^D 50 36.93 88.87 -23.00 38.49 87.42 -22.71 37.71 88.14 -22.86 2 0 15.01 -999 ? CA CA E 100 >ILE^D 51 32.56 86.56 -26.30 33.09 87.20 -27.55 32.82 86.88 -26.92 3 0 12.56 -999 ? CA CA E 100 >LYS^D 52 32.77 83.00 -23.82 31.99 79.95 -18.85 32.38 81.47 -21.34 2 0 7.80 -999 ? CA CA D 98 >VAL^D 53 31.90 80.33 -26.42 32.41 80.39 -28.55 32.15 80.36 -27.49 3 0 12.62 -999 ? CA CA E 100 >THR^D 54 29.64 77.38 -25.65 29.00 77.13 -23.58 29.32 77.26 -24.61 2 0 9.72 -999 ? CA CA E 100 >ILE^D 55 30.38 75.33 -29.53 31.35 75.11 -30.58 30.86 75.22 -30.05 3 0 16.10 -999 ? CA CA E 100 >GLN^D 56 25.20 71.19 -27.22 24.00 71.74 -25.51 24.60 71.47 -26.37 2 0 14.19 -999 ? CA CA D 98 >GLY.D 57 26.53 69.01 -30.85 27.05 68.68 -30.30 26.79 68.85 -30.57 1 0 18.35 -999 ? CA CA D 98 >ASN.D 58 26.54 64.68 -32.93 26.89 62.64 -32.26 26.72 63.66 -32.60 2 0 22.01 -999 ? CA CA D 98 >ASP.D 59 31.34 63.57 -34.09 33.44 63.17 -34.57 32.39 63.37 -34.33 2 0 23.19 -999 ? CA CA D 98 >LEU.D 60 31.86 69.44 -32.35 30.01 70.40 -31.71 30.93 69.92 -32.03 3 0 18.46 -999 ? CA CA D 98 >ASP~D 61 35.32 69.01 -36.89 37.33 68.86 -37.71 36.33 68.94 -37.30 2 0 24.76 -999 ? CA CA D 98 >PHE~D 62 39.42 71.49 -31.40 40.68 73.36 -29.76 40.05 72.42 -30.58 3 0 18.44 -999 ? CA CA D 98 >ASP~D 63 40.78 71.36 -37.02 42.32 70.37 -35.90 41.55 70.86 -36.46 2 0 24.40 -999 ? CA CA D 98 >GLU~D 64 35.21 71.96 -39.52 33.10 71.84 -39.84 34.15 71.90 -39.68 2 0 25.91 -999 ? CA CA D 98 >ILE~D 65 35.39 75.03 -33.82 34.02 75.04 -34.00 34.71 75.04 -33.91 3 0 20.10 -999 ? CA CA D 98 >THR~D 66 39.06 77.27 -34.21 40.55 75.71 -33.80 39.81 76.49 -34.01 2 0 21.61 -999 ? CA CA D 98 >ARG~D 67 41.64 75.70 -40.24 39.10 74.05 -41.00 40.37 74.88 -40.62 2 0 27.88 -999 ? CA CA D 98 >ALA~D 68 35.95 79.37 -38.21 34.68 78.60 -37.86 35.31 78.98 -38.03 2 0 22.95 -999 ? CA CA E 100 >ILE~D 69 36.84 81.39 -33.81 36.19 80.94 -32.48 36.51 81.17 -33.15 3 0 19.48 -999 ? CA CA E 100 >GLU~D 70 41.31 80.99 -35.91 43.30 80.31 -35.68 42.31 80.65 -35.80 2 0 25.25 -999 ? CA CA D 98 >SER~D 71 38.85 83.61 -39.96 36.85 82.25 -40.20 37.85 82.93 -40.08 2 0 25.49 -999 ? CA CA E 100 >TYR.D 72 33.76 85.08 -38.09 31.33 85.32 -39.48 32.54 85.20 -38.78 3 0 22.15 -999 ? CA CA E 98 >GLY.D 73 38.53 88.12 -36.49 38.44 87.35 -36.16 38.48 87.74 -36.33 1 0 21.35 -999 ? CA CA E 98 >GLY.D 74 38.47 86.25 -33.19 39.00 86.14 -33.79 38.73 86.19 -33.49 1 0 19.96 -999 ? CA CA E 98 >SER^D 75 41.43 84.66 -31.44 43.01 85.72 -29.91 42.22 85.19 -30.67 2 0 21.54 -999 ? CA CA E 98 >ILE^D 76 41.19 80.22 -29.50 40.59 79.70 -30.02 40.89 79.96 -29.76 3 0 19.06 -999 ? CA CA D 98 >HIS^D 77 42.90 84.74 -25.03 43.57 86.55 -25.85 43.24 85.64 -25.44 3 0 19.88 -999 ? CA CA D 98 >SER^D 78 41.89 78.98 -23.88 41.52 79.94 -21.61 41.71 79.46 -22.74 2 0 -13.58 -999 ? CA CA D 98s >VAL^D 79 39.77 75.88 -24.04 39.67 74.07 -25.28 39.72 74.97 -24.66 3 0 13.16 -999 ? CA CA D 98 >ASP^D 80 37.08 77.27 -20.31 38.18 79.18 -20.52 37.63 78.22 -20.41 2 0 10.41 -999 ? CA CA D 98 >GLU^D 81 34.13 71.65 -19.87 32.41 72.00 -18.73 33.27 71.83 -19.30 2 0 5.06 -999 ? CA CA D 98 >VAL^D 82 35.08 69.83 -23.36 36.89 69.66 -24.47 35.99 69.74 -23.92 3 0 11.39 -999 ? CA CA D 98 >VAL^D 83 32.65 66.87 -23.33 30.83 67.03 -22.14 31.74 66.95 -22.74 3 0 11.10 -999 ? CA CA D 98 >ALA^D 84 33.30 63.78 -25.43 34.73 63.60 -25.79 34.02 63.69 -25.61 2 0 15.81 -999 ? CA CA D 98 >GLY^D 85 31.19 60.63 -25.46 30.78 61.20 -25.78 30.98 60.91 -25.62 1 0 17.48 -999 ? CA CA D 98 >ARG.D 86 25.89 55.59 -24.62 27.10 53.61 -22.53 26.50 54.60 -23.58 2 0 22.48 -999 ? CA CA D 98 >THR.D 87 26.32 61.24 -22.82 25.70 60.54 -20.83 26.01 60.89 -21.83 2 0 16.22 -999 ? CA CA D 98 >MET?D 88 26.93 64.79 -21.42 27.11 67.82 -23.04 27.02 66.31 -22.23 2 0 11.90 -999 ? CA CA D 98 >VAL.D 89 29.08 64.35 -18.34 30.36 62.82 -17.52 29.72 63.59 -17.93 3 0 11.20 -999 ? CA CA D 98 >GLU.D 90 26.55 68.23 -16.29 26.70 69.56 -17.90 26.62 68.90 -17.10 2 0 7.87 -999 ? CA CA D 98 >GLU.D 91 33.88 69.75 -13.25 34.25 71.71 -12.59 34.07 70.73 -12.92 2 0 -3.36 -999 ? CA CA D 98s >VAL.D 92 31.69 66.97 -10.66 31.63 64.72 -10.36 31.66 65.84 -10.51 3 0 6.01 -999 ? CA CA C 98 >THR.D 93 32.93 69.42 -8.12 31.25 70.81 -8.31 32.09 70.11 -8.22 2 0 -5.82 -999 ? CA CA C 98s >THR.D 94 35.12 68.61 -5.07 36.68 67.07 -5.63 35.90 67.84 -5.35 2 0 5.33 -999 ? CA CA C 98 >PRO.D 95 36.92 68.75 -1.09 37.07 69.99 -3.00 37.00 69.37 -2.04 3 0 6.71 -999 ? CA CA C 98 >ALA.E 3 14.34 76.34 -34.83 14.44 76.50 -33.29 14.39 76.42 -34.06 2 0 20.01 -999 ? CA CA E 100 >LYS.E 4 17.37 77.97 -36.51 14.11 79.60 -40.43 15.74 78.79 -38.47 2 0 25.39 -999 ? CA CA E 100 >GLY.E 5 19.53 81.07 -36.04 19.15 80.68 -35.44 19.34 80.88 -35.74 1 0 19.20 -999 ? CA CA E 100 >LEU^E 6 19.02 85.20 -33.68 20.96 86.19 -33.55 19.99 85.70 -33.61 3 0 16.67 -999 ? CA CA E 100 >ILE^E 7 16.74 80.53 -30.61 17.23 79.16 -30.79 16.98 79.84 -30.70 3 0 15.60 -999 ? CA CA E 100 >ARG^E 8 17.97 83.98 -24.08 19.38 81.66 -22.55 18.67 82.82 -23.31 2 0 7.52 -999 ? CA CA E 100 >ILE^E 9 18.58 88.57 -28.60 18.66 89.26 -29.87 18.62 88.91 -29.24 3 0 14.03 -999 ? CA CA E 100 >VAL^E 10 19.91 89.63 -24.21 20.23 88.37 -22.42 20.07 89.00 -23.32 3 0 9.01 -999 ? CA CA E 100 >LEU^E 11 20.79 93.76 -25.71 19.55 93.59 -27.41 20.17 93.67 -26.56 3 0 9.50 -999 ? CA CA E 98 >ASP^E 12 22.17 96.10 -20.66 23.91 97.45 -20.77 23.04 96.78 -20.72 2 0 -3.14 -999 ? CA CA E 98s >ILE^E 13 18.75 99.36 -24.24 18.02 97.96 -24.61 18.39 98.66 -24.42 3 0 9.51 -999 ? CA CA E 98 >LEU^E 14 20.76 104.01 -21.96 21.02 105.77 -20.75 20.89 104.89 -21.35 3 0 10.08 -999 ? CA CA E 98 >LYS^E 15 16.28 104.65 -22.32 11.21 104.05 -20.25 13.74 104.35 -21.29 2 0 13.58 -999 ? CA CA F 98 >PRO.E 16 14.51 108.42 -23.37 14.68 107.24 -21.51 14.59 107.83 -22.44 3 0 14.10 -999 ? CA CA E 99 >HIS.E 17 12.20 108.76 -16.60 13.70 109.23 -15.21 12.95 108.99 -15.90 3 0 11.13 -999 ? CA CA E 99 >GLU.E 18 7.42 108.93 -21.83 6.81 108.26 -19.90 7.12 108.59 -20.86 2 0 15.57 -999 ? CA CA F 98 >PRO.E 19 7.61 104.38 -24.90 8.26 105.60 -23.09 7.93 104.99 -24.00 3 0 17.87 -999 ? CA CA F 98 >ILE~E 20 5.30 103.30 -19.07 4.34 103.01 -18.32 4.82 103.16 -18.70 3 0 13.82 -999 ? CA CA F 98 >ILE~E 21 9.56 99.36 -18.89 9.81 98.70 -17.55 9.68 99.03 -18.22 3 0 11.64 -999 ? CA CA F 98 >PRO~E 22 4.22 99.28 -19.15 5.83 98.24 -20.25 5.03 98.76 -19.70 3 0 14.64 -999 ? CA CA F 98 >GLU~E 23 4.30 101.96 -23.35 2.38 101.13 -23.14 3.34 101.55 -23.25 2 0 18.74 -999 ? CA CA F 98 >TYR~E 24 10.59 99.87 -24.66 12.02 102.25 -25.08 11.30 101.06 -24.87 3 0 16.74 -999 ? CA CA E 98 >ALA~E 25 7.57 94.79 -23.95 7.28 94.39 -22.52 7.42 94.59 -23.24 2 0 14.85 -999 ? CA CA G 98 >LYS~E 26 4.02 95.02 -25.34 -1.32 95.43 -25.62 1.35 95.22 -25.48 2 0 22.98 -999 ? CA CA G 98 >TYR~E 27 6.85 97.60 -30.21 7.81 97.78 -32.83 7.33 97.69 -31.52 3 0 22.42 -999 ? CA CA E 98 >LEU~E 28 10.09 94.04 -28.07 11.83 95.40 -28.08 10.96 94.72 -28.08 3 0 17.75 -999 ? CA CA E 98 >SER~E 29 6.43 91.02 -28.37 4.64 92.32 -27.46 5.53 91.67 -27.92 2 0 19.56 -999 ? CA CA G 98 >GLU~E 30 3.50 93.76 -30.98 1.60 92.90 -30.57 2.55 93.33 -30.78 2 0 23.90 -999 ? CA CA G 98 >LEU.E 31 9.63 91.89 -33.31 9.65 93.83 -34.23 9.64 92.86 -33.77 3 0 22.05 -999 ? CA CA E 98 >ARG.E 32 9.47 88.13 -40.10 9.53 90.47 -42.14 9.50 89.30 -41.12 2 0 28.31 -999 ? CA CA E 98 >GLY.E 33 9.56 85.34 -34.65 9.38 85.94 -34.15 9.47 85.64 -34.40 1 0 22.81 -999 ? CA CA E 100 >VAL^E 34 9.49 86.43 -30.99 9.85 88.39 -29.96 9.67 87.41 -30.47 3 0 19.70 -999 ? CA CA G 98 >GLU^E 35 8.69 81.32 -29.15 10.19 79.82 -28.77 9.44 80.57 -28.96 2 0 18.70 -999 ? CA CA E 100 >GLY^E 36 8.39 85.86 -25.46 9.00 85.97 -26.00 8.70 85.91 -25.73 1 0 15.75 -999 ? CA CA G 98 >VAL^E 37 10.07 89.04 -24.27 9.92 91.20 -24.93 10.00 90.12 -24.60 3 0 14.14 -999 ? CA CA G 98 >ASN^E 38 11.98 88.68 -20.03 12.63 89.20 -18.07 12.30 88.94 -19.05 2 0 7.05 -999 ? CA CA G 98 >ILE^E 39 11.74 94.52 -20.14 11.61 95.68 -21.03 11.68 95.10 -20.59 3 0 11.71 -999 ? CA CA G 98 >THR^E 40 13.82 93.57 -16.08 15.07 91.80 -15.57 14.45 92.69 -15.83 2 0 5.07 -999 ? CA CA G 98 >LEU^E 41 13.69 97.65 -13.47 14.05 99.75 -13.02 13.87 98.70 -13.24 3 0 7.00 -999 ? CA CA F 98 >MET?E 42 18.23 97.50 -13.99 19.66 95.05 -14.97 18.95 96.28 -14.48 2 0 8.32 -999 ? CA CA G 98 >GLU^E 43 20.61 102.43 -11.57 22.76 102.66 -11.59 21.69 102.55 -11.58 2 0 -3.24 -999 ? CA CA E 99s >ILE^E 44 15.16 103.98 -12.60 13.88 103.75 -11.77 14.52 103.86 -12.19 3 0 6.39 -999 ? CA CA F 98 >ASP.E 45 19.73 107.69 -13.65 20.64 105.77 -14.22 20.18 106.73 -13.93 2 0 -3.78 -999 ? CA CA E 99s >LYS.E 46 16.93 111.01 -12.61 20.66 114.58 -9.90 18.79 112.80 -11.25 2 0 9.01 -999 ? CA CA E 99 >GLU.E 47 18.44 113.62 -16.65 17.38 114.36 -18.29 17.91 113.99 -17.47 2 0 12.40 -999 ? CA CA E 99 >THR.E 48 16.92 108.14 -17.67 18.93 107.75 -18.34 17.92 107.95 -18.00 2 0 8.47 -999 ? CA CA E 99 >GLU^E 49 14.56 103.78 -16.20 12.50 103.99 -16.63 13.53 103.88 -16.41 2 0 10.05 -999 ? CA CA F 98 >ASN^E 50 20.07 101.01 -16.66 21.72 100.27 -17.74 20.90 100.64 -17.20 2 0 6.98 -999 ? CA CA E 98 >ILE^E 51 15.66 98.04 -18.96 15.04 99.29 -19.70 15.35 98.67 -19.33 3 0 11.88 -999 ? CA CA E 98 >LYS^E 52 18.02 94.33 -19.38 21.41 90.59 -16.96 19.71 92.46 -18.17 2 0 7.72 -999 ? CA CA E 100 >VAL^E 53 16.03 92.89 -22.23 15.24 94.20 -23.81 15.63 93.55 -23.02 3 0 12.06 -999 ? CA CA E 98 >THR^E 54 15.77 89.19 -22.83 16.29 87.58 -21.46 16.03 88.38 -22.15 2 0 9.80 -999 ? CA CA G 98 >ILE^E 55 14.11 89.29 -27.14 13.93 89.82 -28.23 14.02 89.56 -27.69 3 0 15.78 -999 ? CA CA E 100 >GLN^E 56 12.38 82.49 -26.47 12.43 80.82 -25.14 12.40 81.65 -25.80 2 0 14.70 -999 ? CA CA E 100 >GLY^E 57 12.07 83.38 -30.44 12.83 83.08 -30.40 12.45 83.23 -30.42 1 0 17.97 -999 ? CA CA E 100 >ASN.E 58 12.02 80.53 -34.34 13.27 79.33 -35.59 12.64 79.93 -34.97 2 0 21.68 -999 ? CA CA E 100 >ASP.E 59 14.98 82.64 -37.65 16.46 83.40 -38.97 15.72 83.02 -38.31 2 0 22.79 -999 ? CA CA E 100 >LEU.E 60 15.09 86.98 -33.30 14.23 86.34 -31.39 14.66 86.66 -32.35 3 0 18.00 -999 ? CA CA E 100 >ASP~E 61 15.51 89.84 -38.25 16.81 90.84 -39.61 16.16 90.34 -38.93 2 0 22.23 -999 ? CA CA E 98 >PHE~E 62 21.08 91.54 -33.90 22.38 92.92 -31.82 21.73 92.23 -32.86 3 0 13.96 -999 ? CA CA E 98 >ASP~E 63 18.79 94.48 -38.40 20.82 93.76 -38.54 19.80 94.12 -38.47 2 0 19.04 -999 ? CA CA E 98 >GLU~E 64 13.41 92.91 -38.38 11.74 91.60 -38.57 12.57 92.26 -38.48 2 0 24.01 -999 ? CA CA E 98 >ILE~E 65 15.50 93.09 -32.27 14.42 92.42 -32.03 14.96 92.76 -32.15 3 0 17.05 -999 ? CA CA E 98 >THR~E 66 17.47 96.96 -32.59 19.22 97.13 -33.86 18.34 97.04 -33.23 2 0 15.20 -999 ? CA CA E 98 >ARG~E 67 15.30 99.70 -38.83 16.24 97.03 -40.11 15.77 98.36 -39.47 2 0 22.10 -999 ? CA CA E 98 >ALA~E 68 12.54 98.71 -32.93 12.06 97.32 -32.56 12.30 98.02 -32.75 2 0 19.02 -999 ? CA CA E 98 >ILE~E 69 15.31 99.04 -28.86 15.81 98.06 -28.10 15.56 98.55 -28.48 3 0 13.88 -999 ? CA CA E 98 >GLU~E 70 17.75 101.63 -32.49 19.74 102.02 -33.15 18.75 101.82 -32.82 2 0 15.20 -999 ? CA CA E 98 >SER~E 71 12.57 104.03 -32.79 11.28 102.08 -33.26 11.92 103.06 -33.03 2 0 20.72 -999 ? CA CA E 98 >TYR.E 72 9.70 102.25 -28.63 7.09 101.25 -28.88 8.40 101.75 -28.76 3 0 20.81 -999 ? CA CA E 98 >GLY.E 73 14.26 106.17 -27.98 14.27 105.41 -27.75 14.27 105.79 -27.86 1 0 17.31 -999 ? CA CA E 98 >GLY.E 74 16.69 103.96 -26.13 16.75 103.93 -27.02 16.72 103.95 -26.57 1 0 13.59 -999 ? CA CA E 98 >SER^E 75 20.10 102.78 -27.24 22.22 103.80 -26.66 21.16 103.29 -26.95 2 0 10.23 -999 ? CA CA E 98 >ILE^E 76 21.78 98.39 -28.28 21.10 98.04 -28.82 21.44 98.21 -28.55 3 0 9.62 -999 ? CA CA E 98 >HIS^E 77 24.38 101.47 -22.79 24.03 103.51 -22.45 24.20 102.49 -22.62 3 0 6.51 -999 ? CA CA E 98 >SER^E 78 25.68 96.14 -25.30 26.36 95.35 -23.13 26.02 95.74 -24.21 2 0 -2.86 -999 ? CA CA E 98s >VAL^E 79 24.77 92.64 -26.37 24.20 91.97 -28.38 24.48 92.30 -27.37 3 0 8.40 -999 ? CA CA E 98 >ASP^E 80 24.47 90.79 -22.08 24.49 92.87 -21.46 24.48 91.83 -21.77 2 0 4.79 -999 ? CA CA E 98 >GLU^E 81 23.95 84.96 -23.63 22.47 83.97 -22.54 23.21 84.46 -23.08 2 0 5.31 -999 ? CA CA E 100 >VAL^E 82 23.07 85.49 -27.75 23.53 86.35 -29.71 23.30 85.92 -28.73 3 0 11.27 -999 ? CA CA E 100 >VAL^E 83 21.80 81.95 -28.31 21.20 80.60 -26.72 21.50 81.28 -27.51 3 0 10.57 -999 ? CA CA E 100 >ALA^E 84 21.77 80.63 -31.82 22.78 81.36 -32.65 22.28 80.99 -32.23 2 0 15.19 -999 ? CA CA E 100 >GLY^E 85 21.10 77.22 -33.29 20.45 77.64 -33.04 20.78 77.43 -33.17 1 0 17.22 -999 ? CA CA E 100 >ARG.E 86 18.43 70.75 -34.20 21.08 69.18 -34.57 19.76 69.97 -34.38 2 0 22.52 -999 ? CA CA E 100 >THR.E 87 18.50 74.06 -29.31 19.80 72.38 -28.71 19.15 73.22 -29.01 2 0 16.53 -999 ? CA CA E 100 >MET?E 88 18.84 76.45 -26.25 17.60 79.47 -25.65 18.22 77.96 -25.95 2 0 11.49 -999 ? CA CA E 100 >VAL.E 89 22.43 76.17 -25.16 24.20 75.44 -26.10 23.32 75.80 -25.63 3 0 11.24 -999 ? CA CA E 100 >GLU.E 90 20.64 77.02 -20.70 19.86 79.00 -20.69 20.25 78.01 -20.70 2 0 7.43 -999 ? CA CA E 100 >GLU.E 91 27.77 80.98 -19.83 28.13 82.51 -18.40 27.95 81.74 -19.11 2 0 -3.58 -999 ? CA CA E 100s >VAL.E 92 28.53 76.61 -18.82 29.43 74.97 -20.03 28.98 75.79 -19.42 3 0 6.53 -999 ? CA CA D 98 >THR.E 93 30.40 78.04 -15.83 28.83 78.67 -14.41 29.61 78.36 -15.12 2 0 -5.85 -999 ? CA CA D 98s >THR.E 94 34.08 77.27 -15.31 35.29 77.38 -17.21 34.69 77.32 -16.26 2 0 5.77 -999 ? CA CA D 98 >PRO.E 95 37.57 76.61 -12.60 36.65 78.30 -13.77 37.11 77.46 -13.18 3 0 6.28 -999 ? CA CA D 98 >ALA.F 3 -1.09 83.94 -24.52 -0.31 82.62 -24.69 -0.70 83.28 -24.60 2 0 21.38 -999 ? CA CA G 98 >LYS.F 4 -0.53 87.43 -25.92 -3.37 90.80 -30.28 -1.95 89.12 -28.10 2 0 26.65 -999 ? CA CA G 98 >GLY.F 5 0.48 90.83 -24.57 0.76 90.08 -24.27 0.62 90.46 -24.42 1 0 19.99 -999 ? CA CA G 98 >LEU^F 6 1.02 92.63 -20.15 2.13 94.48 -20.44 1.57 93.56 -20.29 3 0 17.21 -999 ? CA CA G 98 >ILE^F 7 2.04 86.78 -19.94 2.51 85.97 -20.93 2.28 86.38 -20.43 3 0 16.09 -999 ? CA CA G 98 >ARG^F 8 5.80 87.33 -13.53 8.50 86.03 -14.55 7.15 86.68 -14.04 2 0 8.07 -999 ? CA CA G 98 >ILE^F 9 3.02 93.50 -14.49 2.34 94.54 -15.19 2.68 94.02 -14.84 3 0 14.07 -999 ? CA CA F 98 >VAL^F 10 6.18 93.12 -11.13 7.71 91.73 -10.64 6.95 92.42 -10.88 3 0 9.56 -999 ? CA CA G 98 >LEU^F 11 4.45 97.41 -10.08 2.34 97.05 -10.43 3.39 97.23 -10.26 3 0 9.93 -999 ? CA CA F 98 >ASP^F 12 8.55 98.04 -6.04 9.20 100.03 -5.47 8.87 99.03 -5.75 2 0 -3.32 -999 ? CA CA F 98s >ILE^F 13 3.27 99.99 -5.24 2.80 98.61 -6.03 3.03 99.30 -5.63 3 0 9.17 -999 ? CA CA F 98 >LEU^F 14 4.61 103.42 -1.24 5.40 104.55 0.35 5.00 103.99 -0.44 3 0 9.93 -999 ? CA CA F 98 >LYS^F 15 0.65 101.71 0.38 -0.31 97.50 3.31 0.17 99.60 1.85 2 0 16.41 -999 ? CA CA F 98 >PRO^F 16 -2.56 103.68 2.29 -0.56 102.88 2.97 -1.56 103.28 2.63 3 0 16.69 -999 ? CA CA F 98 >HIS.F 17 0.40 100.77 8.31 2.32 101.08 9.08 1.36 100.93 8.70 3 0 18.92 -999 ? CA CA F 98 >GLU.F 18 -6.57 99.27 7.12 -5.78 98.51 8.95 -6.18 98.89 8.04 2 0 23.97 -999 ? CA CA F 98 >PRO.F 19 -6.84 98.43 1.47 -5.90 98.65 3.48 -6.37 98.54 2.47 3 0 20.76 -999 ? CA CA F 98 >ILE~F 20 -4.86 93.98 5.97 -4.99 93.11 6.89 -4.92 93.54 6.43 3 0 19.78 -999 ? CA CA A 101 >ILE~F 21 -0.68 92.74 2.58 0.41 92.16 2.83 -0.14 92.45 2.71 3 0 14.02 -999 ? CA CA A 101 >PRO~F 22 -4.24 89.35 3.71 -4.07 90.49 1.75 -4.16 89.92 2.73 3 0 16.45 -999 ? CA CA A 101 >GLU~F 23 -7.57 93.90 2.49 -9.29 92.87 2.95 -8.43 93.38 2.72 2 0 22.13 -999 ? CA CA A 101 >TYR~F 24 -3.65 95.55 -2.20 -3.20 98.20 -1.43 -3.43 96.88 -1.82 3 0 16.75 -999 ? CA CA F 98 >ALA~F 25 -4.45 90.06 -3.30 -3.95 89.12 -2.26 -4.20 89.59 -2.78 2 0 15.30 -999 ? CA CA A 101 >LYS~F 26 -8.13 89.22 -3.27 -11.17 86.29 0.56 -9.65 87.75 -1.35 2 0 22.20 -999 ? CA CA A 101 >TYR~F 27 -9.44 94.75 -5.65 -10.40 96.75 -7.36 -9.92 95.75 -6.50 3 0 22.50 -999 ? CA CA F 98 >LEU~F 28 -4.95 92.45 -7.70 -3.95 94.38 -7.53 -4.45 93.42 -7.61 3 0 18.12 -999 ? CA CA F 98 >SER~F 29 -7.10 88.49 -8.60 -8.25 87.76 -6.61 -7.67 88.13 -7.61 2 0 19.78 -999 ? CA CA A 101 >GLU~F 30 -11.70 89.72 -7.29 -12.42 87.84 -6.66 -12.06 88.78 -6.97 2 0 23.85 -999 ? CA CA A 101 >LEU.F 31 -7.96 92.61 -12.16 -8.65 94.51 -11.21 -8.30 93.56 -11.69 3 0 22.10 -999 ? CA CA F 98 >ARG.F 32 -10.16 92.09 -19.79 -11.42 94.90 -19.62 -10.79 93.50 -19.70 2 0 27.25 -999 ? CA CA F 98 >GLY.F 33 -6.88 88.37 -17.52 -7.06 88.44 -16.79 -6.97 88.40 -17.16 1 0 23.25 -999 ? CA CA G 98 >VAL.F 34 -5.41 87.82 -14.05 -5.10 89.37 -12.48 -5.26 88.59 -13.26 3 0 19.87 -999 ? CA CA A 101 >GLU.F 35 -3.56 83.17 -15.52 -1.88 82.35 -16.47 -2.72 82.76 -15.99 2 0 19.16 -999 ? CA CA G 98 >GLY^F 36 -2.64 85.03 -10.11 -2.56 85.69 -10.56 -2.60 85.36 -10.34 1 0 15.68 -999 ? CA CA A 101 >VAL^F 37 -1.16 87.54 -7.76 -2.18 89.39 -7.16 -1.67 88.46 -7.46 3 0 13.99 -999 ? CA CA A 101 >ASN^F 38 3.08 86.67 -5.70 4.42 86.61 -4.06 3.75 86.64 -4.88 2 0 6.86 -999 ? CA CA A 101 >ILE^F 39 1.13 90.93 -2.38 0.34 92.18 -2.47 0.73 91.55 -2.43 3 0 11.95 -999 ? CA CA A 101 >THR^F 40 5.29 89.86 -0.61 7.12 89.16 -1.61 6.20 89.51 -1.11 2 0 5.47 -999 ? CA CA A 101 >LEU^F 41 5.75 92.26 3.46 5.89 93.68 5.08 5.82 92.97 4.27 3 0 11.24 -999 ? CA CA A 101 >MET?F 42 9.13 94.53 1.16 10.27 93.59 -1.36 9.70 94.06 -0.10 2 0 8.46 -999 ? CA CA A 101 >GLU^F 43 11.70 98.23 4.72 12.50 100.19 4.46 12.10 99.21 4.59 2 0 -11.52 -999 ? CA CA F 98s >ILE^F 44 6.54 97.39 7.31 6.12 96.47 8.39 6.33 96.93 7.85 3 0 16.05 -999 ? CA CA A 101 >ASP.F 45 8.20 103.10 7.28 9.15 102.36 5.49 8.67 102.73 6.38 2 0 -12.85 -999 ? CA CA F 98s >LYS.F 46 5.81 103.98 10.83 9.50 107.55 13.71 7.66 105.76 12.27 2 0 21.80 -999 ? CA CA F 98 >GLU.F 47 3.19 108.24 8.48 1.35 107.78 9.40 2.27 108.01 8.94 2 0 20.59 -999 ? CA CA F 98 >THR^F 48 3.70 103.39 5.51 4.87 104.24 3.87 4.29 103.82 4.69 2 0 13.31 -999 ? CA CA F 98 >GLU^F 49 3.37 97.67 4.14 1.89 96.58 5.23 2.63 97.12 4.69 2 0 16.25 -999 ? CA CA A 101 >ASN^F 50 7.91 99.50 0.74 8.76 99.18 -1.22 8.33 99.34 -0.24 2 0 6.88 -999 ? CA CA F 98 >ILE^F 51 4.10 95.23 -0.38 2.95 96.18 -0.35 3.53 95.71 -0.36 3 0 12.01 -999 ? CA CA F 98 >LYS^F 52 6.06 94.19 -4.17 10.61 91.08 -6.38 8.34 92.64 -5.27 2 0 7.28 -999 ? CA CA A 101 >VAL^F 53 3.27 93.11 -6.49 1.29 94.02 -6.31 2.28 93.56 -6.40 3 0 12.29 -999 ? CA CA F 98 >THR^F 54 4.03 90.31 -8.97 5.68 88.81 -8.86 4.86 89.56 -8.92 2 0 9.24 -999 ? CA CA A 101 >ILE^F 55 0.24 90.90 -11.30 -0.68 91.81 -11.70 -0.22 91.35 -11.50 3 0 15.76 -999 ? CA CA A 101 >GLN^F 56 1.43 84.55 -14.27 2.71 82.99 -13.56 2.07 83.77 -13.91 2 0 14.18 -999 ? CA CA G 98 >GLY.F 57 -2.03 86.29 -16.42 -1.35 86.34 -16.83 -1.69 86.32 -16.63 1 0 18.41 -999 ? CA CA G 98 >ASN.F 58 -3.77 85.74 -20.31 -3.59 85.11 -22.31 -3.68 85.42 -21.31 2 0 22.21 -999 ? CA CA G 98 >ASP.F 59 -4.10 90.12 -23.16 -4.29 92.03 -24.24 -4.20 91.08 -23.70 2 0 23.79 -999 ? CA CA G 98 >LEU.F 60 -1.90 91.84 -17.71 -1.52 90.00 -16.60 -1.71 90.92 -17.15 3 0 18.33 -999 ? CA CA G 98 >ASP~F 61 -5.73 95.95 -18.45 -6.20 97.67 -19.61 -5.97 96.81 -19.03 2 0 22.35 -999 ? CA CA F 98 >PHE~F 62 0.66 99.24 -17.23 2.42 100.71 -15.65 1.54 99.98 -16.44 3 0 14.07 -999 ? CA CA F 98 >ASP~F 63 -4.55 101.49 -18.13 -3.11 101.56 -19.73 -3.83 101.52 -18.93 2 0 19.69 -999 ? CA CA F 98 >GLU~F 64 -8.71 97.35 -15.86 -9.33 95.33 -16.19 -9.02 96.34 -16.03 2 0 23.87 -999 ? CA CA F 98 >ILE~F 65 -2.81 96.73 -12.99 -2.06 95.51 -12.94 -2.43 96.12 -12.97 3 0 16.34 -999 ? CA CA F 98 >THR~F 66 -2.35 100.98 -12.26 -1.92 102.75 -13.53 -2.13 101.86 -12.89 2 0 15.38 -999 ? CA CA F 98 >ARG~F 67 -7.71 104.38 -14.40 -7.08 103.39 -17.27 -7.40 103.89 -15.83 2 0 21.70 -999 ? CA CA F 98 >ALA~F 68 -6.92 99.50 -9.35 -6.86 98.05 -9.78 -6.89 98.77 -9.57 2 0 19.23 -999 ? CA CA F 98 >ILE~F 69 -2.47 99.74 -7.51 -1.15 99.03 -7.35 -1.81 99.38 -7.43 3 0 13.85 -999 ? CA CA F 98 >GLU~F 70 -3.12 104.42 -8.92 -2.41 106.23 -9.76 -2.77 105.32 -9.34 2 0 15.44 -999 ? CA CA F 98 >SER~F 71 -8.06 103.14 -5.95 -8.42 101.76 -7.90 -8.24 102.45 -6.92 2 0 20.36 -999 ? CA CA F 98 >TYR~F 72 -7.58 98.97 -2.59 -9.46 96.91 -2.44 -8.52 97.94 -2.51 3 0 21.17 -999 ? CA CA F 98 >GLY.F 73 -4.76 104.39 -1.86 -4.50 103.70 -2.25 -4.63 104.04 -2.05 1 0 17.73 -999 ? CA CA F 98 >GLY.F 74 -1.73 102.57 -3.26 -2.09 103.28 -3.60 -1.91 102.93 -3.43 1 0 14.21 -999 ? CA CA F 98 >SER^F 75 0.97 104.27 -5.34 2.62 105.97 -4.81 1.79 105.12 -5.07 2 0 10.69 -999 ? CA CA F 98 >ILE^F 76 2.92 102.56 -9.44 2.60 101.71 -10.55 2.76 102.13 -9.99 3 0 9.67 -999 ? CA CA F 98 >HIS^F 77 7.24 104.35 -4.78 6.51 105.72 -3.37 6.87 105.04 -4.07 3 0 6.99 -999 ? CA CA F 98 >SER^F 78 8.17 101.73 -10.21 10.14 100.71 -9.16 9.16 101.22 -9.69 2 0 -2.84 -999 ? CA CA F 98s >VAL^F 79 7.89 98.83 -12.64 6.46 98.68 -14.26 7.17 98.75 -13.45 3 0 8.36 -999 ? CA CA F 98 >ASP^F 80 10.90 95.77 -10.66 11.30 97.37 -9.19 11.10 96.57 -9.93 2 0 4.43 -999 ? CA CA F 98 >GLU^F 81 10.54 91.12 -14.90 11.29 89.38 -13.94 10.91 90.25 -14.42 2 0 4.95 -999 ? CA CA G 98 >VAL^F 82 7.57 92.78 -17.58 6.69 94.46 -18.61 7.13 93.62 -18.09 3 0 11.78 -999 ? CA CA G 98 >VAL^F 83 7.11 89.58 -19.53 7.91 87.61 -18.93 7.51 88.59 -19.23 3 0 11.06 -999 ? CA CA G 98 >ALA^F 84 5.20 89.77 -22.83 5.15 91.15 -23.42 5.17 90.46 -23.12 2 0 15.92 -999 ? CA CA G 98 >GLY^F 85 4.32 87.14 -25.44 3.97 86.97 -24.74 4.14 87.05 -25.09 1 0 17.83 -999 ? CA CA G 98 >ARG.F 86 3.48 80.80 -28.77 4.57 81.60 -31.58 4.02 81.20 -30.18 2 0 23.76 -999 ? CA CA G 98 >THR.F 87 5.97 82.27 -23.28 7.92 81.63 -24.03 6.94 81.95 -23.66 2 0 16.08 -999 ? CA CA G 98 >MET?F 88 7.35 83.26 -19.86 5.64 84.71 -17.30 6.49 83.98 -18.58 2 0 12.06 -999 ? CA CA G 98 >VAL.F 89 10.86 84.26 -20.57 11.88 84.47 -22.51 11.37 84.36 -21.54 3 0 11.47 -999 ? CA CA G 98 >GLU.F 90 11.97 82.52 -15.91 10.34 83.58 -15.04 11.16 83.05 -15.48 2 0 7.96 -999 ? CA CA G 98 >GLU.F 91 17.14 88.76 -16.25 17.43 89.62 -14.36 17.29 89.19 -15.31 2 0 -3.37 -999 ? CA CA G 98s >VAL.F 92 19.24 85.61 -18.16 19.40 84.86 -20.18 19.32 85.23 -19.17 3 0 5.87 -999 ? CA CA E 100 >THR.F 93 22.08 86.83 -15.99 21.81 85.55 -14.20 21.95 86.19 -15.10 2 0 -5.02 -999 ? CA CA E 100s >THR.F 94 25.52 87.85 -17.15 25.62 88.97 -19.09 25.57 88.41 -18.12 2 0 5.48 -999 ? CA CA E 100 >PRO.F 95 29.89 88.42 -16.85 28.01 89.48 -16.14 28.95 88.95 -16.49 3 0 6.80 -999 ? CA CA E 100 >ALA.G 3 -8.66 77.41 -7.29 -7.31 77.40 -6.61 -7.98 77.41 -6.95 2 0 20.26 -999 ? CA CA A 101 >LYS.G 4 -9.81 80.83 -6.15 -15.19 81.90 -4.38 -12.50 81.37 -5.27 2 0 26.33 -999 ? CA CA A 101 >GLY.G 5 -9.11 83.45 -3.45 -8.64 82.95 -3.85 -8.88 83.20 -3.65 1 0 20.07 -999 ? CA CA A 101 >LEU^G 6 -5.99 83.67 0.16 -6.26 85.65 0.94 -6.13 84.66 0.55 3 0 17.18 -999 ? CA CA A 101 >ILE^G 7 -3.81 79.62 -3.46 -4.06 79.67 -4.92 -3.94 79.65 -4.19 3 0 15.91 -999 ? CA CA A 101 >ARG^G 8 2.74 81.02 0.14 4.44 80.87 -2.48 3.59 80.95 -1.17 2 0 7.72 -999 ? CA CA A 101 >ILE^G 9 -1.68 83.32 4.14 -2.78 83.58 4.49 -2.23 83.45 4.32 3 0 14.67 -999 ? CA CA A 101 >VAL^G 10 2.81 83.66 5.06 4.44 83.02 3.88 3.63 83.34 4.47 3 0 9.94 -999 ? CA CA A 101 >LEU^G 11 1.50 85.60 8.97 -0.16 84.22 9.13 0.67 84.91 9.05 3 0 15.10 -999 ? CA CA A 101 >ASP^G 12 6.88 86.46 11.01 7.34 88.17 12.32 7.11 87.32 11.66 2 0 -15.14 -999 ? CA CA A 101s >ILE^G 13 2.82 84.67 14.77 2.45 83.55 13.62 2.63 84.11 14.19 3 0 16.35 -999 ? CA CA A 100 >LEU^G 14 5.49 87.08 18.95 6.82 87.80 20.51 6.16 87.44 19.73 3 0 17.16 -999 ? CA CA A 99 >LYS^G 15 4.00 83.10 20.59 4.99 77.74 20.94 4.49 80.42 20.77 2 0 13.42 -999 ? CA CA A 99 >PRO^G 16 2.25 81.77 24.24 4.33 82.06 23.51 3.29 81.92 23.88 3 0 16.97 -999 ? CA CA A 99 >HIS.G 17 8.85 78.93 25.56 10.78 79.80 25.51 9.82 79.36 25.53 3 0 11.38 -999 ? CA CA A 99 >GLU.G 18 3.29 74.40 26.26 5.39 74.14 26.38 4.34 74.27 26.32 2 0 14.67 -999 ? CA CA A 99 >PRO.G 19 -0.15 76.14 21.56 1.48 75.85 23.07 0.67 75.99 22.31 3 0 17.67 -999 ? CA CA A 99 >ILE~G 20 5.05 71.96 21.75 5.89 71.10 21.90 5.47 71.53 21.82 3 0 13.30 -999 ? CA CA A 99 >ILE~G 21 5.36 75.13 16.91 6.92 74.92 16.75 6.14 75.02 16.83 3 0 12.00 -999 ? CA CA A 99 >PRO~G 22 5.33 69.76 17.31 3.85 71.20 16.49 4.59 70.48 16.90 3 0 14.26 -999 ? CA CA A 99 >GLU~G 23 -0.04 70.64 19.99 -0.75 68.75 19.28 -0.39 69.69 19.64 2 0 19.74 -999 ? CA CA A 99 >TYR~G 24 0.50 76.96 16.59 0.23 79.08 18.42 0.36 78.02 17.50 3 0 17.91 -999 ? CA CA A 99 >ALA~G 25 0.55 72.81 12.55 1.78 71.96 12.40 1.17 72.38 12.48 2 0 14.46 -999 ? CA CA A 100 >LYS~G 26 -1.91 70.00 13.15 -1.92 64.65 15.23 -1.92 67.33 14.19 2 0 21.73 -999 ? CA CA A 100 >TYR~G 27 -5.58 74.22 15.56 -7.73 75.98 15.74 -6.65 75.10 15.65 3 0 22.85 -999 ? CA CA A 100 >LEU~G 28 -3.22 75.86 11.09 -2.90 77.65 12.27 -3.06 76.76 11.68 3 0 17.94 -999 ? CA CA A 100 >SER~G 29 -4.25 71.86 8.91 -2.22 70.66 9.19 -3.24 71.26 9.05 2 0 17.22 -999 ? CA CA A 100 >GLU~G 30 -7.05 70.21 12.02 -7.16 68.37 13.09 -7.11 69.29 12.55 2 0 23.54 -999 ? CA CA A 100 >LEU.G 31 -8.16 75.97 8.94 -8.65 76.77 10.94 -8.40 76.37 9.94 3 0 22.56 -999 ? CA CA A 100 >ARG.G 32 -14.39 77.71 4.62 -15.88 78.21 7.28 -15.13 77.96 5.95 2 0 29.17 -999 ? CA CA A 101 >GLY.G 33 -9.80 74.76 2.49 -9.41 74.69 3.15 -9.60 74.73 2.82 1 0 23.57 -999 ? CA CA A 101 >VAL^G 34 -6.25 74.14 3.83 -5.24 74.75 5.65 -5.74 74.44 4.74 3 0 19.46 -999 ? CA CA A 100 >GLU^G 35 -3.42 71.67 -0.71 -3.70 72.99 -2.33 -3.56 72.33 -1.52 2 0 18.98 -999 ? CA CA A 101 >GLY^G 36 -0.93 71.92 4.06 -1.30 72.70 4.05 -1.12 72.31 4.06 1 0 15.19 -999 ? CA CA A 100 >VAL^G 37 0.83 74.09 6.58 -0.06 74.55 8.49 0.39 74.32 7.54 3 0 13.57 -999 ? CA CA A 100 >ASN^G 38 5.48 75.00 5.90 7.54 74.92 6.44 6.51 74.96 6.17 2 0 6.33 -999 ? CA CA A 100 >ILE^G 39 5.23 76.01 11.53 4.34 76.52 12.52 4.78 76.27 12.02 3 0 11.18 -999 ? CA CA A 100 >THR^G 40 9.69 76.89 10.63 10.35 77.43 8.63 10.02 77.16 9.63 2 0 4.95 -999 ? CA CA A 100 >LEU^G 41 11.87 77.25 14.85 12.26 78.05 16.83 12.07 77.65 15.84 3 0 7.14 -999 ? CA CA A 99 >MET?G 42 12.88 81.70 13.42 11.91 82.53 10.48 12.39 82.11 11.95 2 0 8.54 -999 ? CA CA A 100 >GLU^G 43 15.89 84.67 17.61 15.89 86.82 17.49 15.89 85.74 17.55 2 0 -12.06 -999 ? CA CA A 99s >ILE.G 44 14.29 79.58 20.35 14.91 78.44 20.97 14.60 79.01 20.66 3 0 5.52 -999 ? CA CA A 99 >ASP.G 45 12.81 85.00 22.73 12.94 85.88 20.77 12.88 85.44 21.75 2 0 -12.11 -999 ? CA CA A 99s >LYS.G 46 13.42 83.12 26.61 16.94 87.14 30.14 15.18 85.13 28.37 2 0 16.58 -999 ? CA CA A 99 >GLU.G 47 8.94 86.35 28.59 7.28 85.29 29.30 8.11 85.82 28.94 2 0 18.12 -999 ? CA CA A 99 >THR^G 48 8.43 83.62 23.91 8.28 85.44 22.72 8.35 84.53 23.31 2 0 14.73 -999 ? CA CA A 99 >GLU^G 49 9.29 79.84 19.74 8.84 78.01 20.63 9.06 78.93 20.18 2 0 9.77 -999 ? CA CA A 99 >ASN^G 50 10.15 84.65 16.63 9.92 85.88 14.92 10.03 85.26 15.77 2 0 14.08 -999 ? CA CA A 99 >ILE^G 51 7.01 80.18 14.39 6.10 80.00 15.65 6.55 80.09 15.02 3 0 12.77 -999 ? CA CA A 100 >LYS^G 52 7.03 81.64 10.27 10.69 82.04 6.04 8.86 81.84 8.15 2 0 6.75 -999 ? CA CA A 100 >VAL^G 53 3.79 80.10 9.15 2.16 79.62 10.45 2.98 79.86 9.80 3 0 12.23 -999 ? CA CA A 100 >THR^G 54 3.34 79.25 5.55 4.86 79.18 4.03 4.10 79.22 4.79 2 0 9.42 -999 ? CA CA A 100 >ILE^G 55 -1.14 78.42 6.11 -2.19 79.06 6.73 -1.67 78.74 6.42 3 0 15.60 -999 ? CA CA A 100 >GLN^G 56 -0.66 75.72 -0.36 1.19 75.04 -1.25 0.26 75.38 -0.80 2 0 14.03 -999 ? CA CA A 101 >GLY^G 57 -4.62 75.63 -0.21 -4.57 76.41 -0.46 -4.60 76.02 -0.33 1 0 18.27 -999 ? CA CA A 101 >ASN.G 58 -8.72 75.38 -2.54 -9.86 76.27 -4.05 -9.29 75.83 -3.29 2 0 22.62 -999 ? CA CA A 101 >ASP.G 59 -10.87 79.75 -1.64 -12.04 81.46 -1.05 -11.45 80.60 -1.35 2 0 23.20 -999 ? CA CA A 101 >LEU.G 60 -7.07 80.64 2.86 -5.55 79.11 2.47 -6.31 79.88 2.66 3 0 18.58 -999 ? CA CA A 101 >ASP~G 61 -11.50 81.96 6.00 -12.78 83.45 6.88 -12.14 82.70 6.44 2 0 25.33 -999 ? CA CA A 101 >PHE~G 62 -6.27 87.02 6.33 -4.05 88.00 7.74 -5.16 87.51 7.03 3 0 18.57 -999 ? CA CA A 101 >ASP~G 63 -11.07 86.89 9.44 -10.61 88.90 8.78 -10.84 87.89 9.11 2 0 24.34 -999 ? CA CA A 101 >GLU~G 64 -11.51 80.03 9.94 -12.36 78.79 8.45 -11.94 79.41 9.20 2 0 26.28 -999 ? CA CA A 101 >ILE~G 65 -5.87 82.24 8.66 -5.43 80.95 8.07 -5.65 81.60 8.37 3 0 19.86 -999 ? CA CA A 101 >THR~G 66 -6.25 85.04 12.17 -6.91 87.19 11.75 -6.58 86.11 11.96 2 0 22.61 -999 ? CA CA A 101 >ARG~G 67 -12.85 83.65 14.94 -14.31 84.31 12.25 -13.58 83.98 13.60 2 0 28.97 -999 ? CA CA A 101 >ALA~G 68 -7.35 80.36 14.90 -7.21 79.36 13.78 -7.28 79.86 14.34 2 0 22.80 -999 ? CA CA A 100 >ILE~G 69 -2.89 82.46 14.67 -1.71 82.65 13.97 -2.30 82.55 14.32 3 0 19.49 -999 ? CA CA A 100 >GLU~G 70 -4.89 86.69 17.77 -5.35 87.79 16.01 -5.12 87.24 16.89 2 0 24.44 -999 ? CA CA A 101 >SER~G 71 -6.84 81.48 19.64 -8.82 81.42 18.25 -7.83 81.45 18.94 2 0 26.53 -999 ? CA CA A 100 >TYR.G 72 -3.53 77.39 19.58 -4.51 74.87 19.02 -4.02 76.13 19.30 3 0 22.02 -999 ? CA CA A 99 >GLY.G 73 -1.96 82.64 22.14 -1.91 82.48 21.34 -1.94 82.56 21.74 1 0 21.59 -999 ? CA CA A 99 >GLY.G 74 -0.33 83.71 18.90 -0.83 84.18 19.41 -0.58 83.95 19.15 1 0 20.26 -999 ? CA CA A 99 >SER^G 75 0.23 87.32 17.98 0.32 89.40 19.17 0.27 88.36 18.57 2 0 22.77 -999 ? CA CA A 99 >ILE^G 76 -0.70 88.14 13.29 -1.50 87.51 12.41 -1.10 87.82 12.85 3 0 19.32 -999 ? CA CA A 101 >HIS^G 77 5.28 90.28 15.57 5.60 90.31 17.65 5.44 90.29 16.61 3 0 19.88 -999 ? CA CA A 99 >SER^G 78 3.10 90.75 10.09 5.54 90.87 9.53 4.32 90.81 9.81 2 0 -14.00 -999 ? CA CA A 101s >VAL^G 79 1.82 88.98 7.00 -0.12 89.13 6.03 0.85 89.06 6.52 3 0 13.76 -999 ? CA CA A 101 >ASP^G 80 6.09 87.67 5.34 6.85 88.33 7.22 6.47 88.00 6.28 2 0 10.63 -999 ? CA CA A 101 >GLU^G 81 4.25 86.05 -0.39 5.53 84.59 -1.12 4.89 85.32 -0.76 2 0 5.43 -999 ? CA CA A 101 >VAL^G 82 0.09 86.50 0.17 -1.50 87.60 1.02 -0.70 87.05 0.59 3 0 12.00 -999 ? CA CA A 101 >VAL^G 83 -0.84 84.73 -3.08 0.60 83.44 -4.05 -0.12 84.08 -3.57 3 0 11.11 -999 ? CA CA A 101 >ALA^G 84 -4.33 84.69 -4.64 -5.19 85.81 -4.13 -4.76 85.25 -4.39 2 0 16.17 -999 ? CA CA A 101 >GLY^G 85 -5.98 83.62 -7.88 -5.85 83.04 -7.36 -5.91 83.33 -7.62 1 0 17.84 -999 ? CA CA A 101 >ARG.G 86 -6.66 79.35 -13.65 -5.91 81.03 -16.12 -6.28 80.19 -14.88 2 0 22.22 -999 ? CA CA A 101 >THR.G 87 -2.37 79.93 -10.17 -1.02 80.15 -11.88 -1.70 80.04 -11.02 2 0 16.17 -999 ? CA CA A 101 >MET?G 88 0.52 79.88 -7.59 0.90 79.39 -4.14 0.71 79.63 -5.86 2 0 11.68 -999 ? CA CA A 101 >VAL.G 89 2.70 82.90 -8.60 2.09 84.58 -9.84 2.40 83.74 -9.22 3 0 11.13 -999 ? CA CA A 101 >GLU.G 90 6.98 80.87 -7.02 6.16 79.71 -5.49 6.57 80.29 -6.26 2 0 7.96 -999 ? CA CA A 101 >GLU.G 91 8.75 88.18 -4.43 10.59 88.57 -3.49 9.67 88.38 -3.96 2 0 -3.67 -999 ? CA CA A 101s >VAL.G 92 10.48 87.19 -8.89 9.30 88.03 -10.59 9.89 87.61 -9.74 3 0 6.15 -999 ? CA CA G 98 >THR.G 93 13.96 88.47 -7.93 15.24 86.67 -7.61 14.60 87.57 -7.77 2 0 -4.53 -999 ? CA CA G 98s >THR.G 94 14.97 92.01 -9.03 13.20 93.32 -9.43 14.09 92.67 -9.23 2 0 5.85 -999 ? CA CA G 98 >PRO.G 95 18.56 94.40 -9.74 16.67 94.57 -8.43 17.61 94.48 -9.08 3 0 6.81 -999 ? CA CA G 98