REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-OCT-07 2ZBU COMPND UNCHARACTERIZED CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL-X; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-21A AUTHOR A.EBIHARA,Y.FUJIMOTO,W.KAGAWA,N.FUJIKAWA,S.YOKOYAMA,S.KURAMITSU,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 80 8 HET MSE A 141 8 HET MSE A 160 8 HET MSE B 1 8 HET MSE B 80 8 HET MSE B 141 8 HET MSE B 160 8 HET MSE C 1 8 HET MSE C 80 8 HET MSE C 141 8 HET MSE C 160 8 HET MSE D 1 8 HET MSE D 80 8 HET MSE D 141 8 HET MSE D 160 8 HET ADN A 501 19 HET ADN B 502 19 HET ADN C 503 19 HET ADN D 504 19 SITE 1 AC1 16 ASP A 7 TRP A 8 PHE A 41 VAL A 66 SITE 1 AC2 14 ASP B 7 TRP B 8 PHE B 41 VAL B 66 SITE 1 AC3 15 ASP C 7 TRP C 8 PHE C 41 VAL C 66 SITE 1 AC4 15 ASP D 7 TRP D 8 PHE D 41 VAL D 66 >MET?A 1 57.03 -24.42 29.12 60.90 -23.50 30.90 58.97 -23.96 30.01 2 0 19.81 -999 ? C5' ADN A 501 >ILE^A 2 53.65 -25.65 32.18 52.30 -26.07 32.06 52.98 -25.86 32.12 3 0 25.23 -999 ? C5' ADN A 501 >GLY^A 3 55.97 -23.43 35.60 55.13 -23.69 35.43 55.55 -23.56 35.51 1 0 20.81 -999 ? C5' ADN A 501 >PHE^A 4 52.88 -27.81 38.32 50.57 -29.19 39.04 51.72 -28.50 38.68 3 0 24.02 -999 ? C5' ADN A 501 >LEU^A 5 54.11 -22.95 41.95 54.86 -21.94 43.70 54.49 -22.44 42.83 3 0 20.00 -999 ? C5' ADN A 501 >THR^A 6 51.37 -25.78 44.54 50.95 -27.67 43.52 51.16 -26.73 44.03 2 0 23.71 -999 ? C5' ADN A 501 >ASP.A 7 50.12 -25.73 49.08 48.02 -25.91 48.76 49.07 -25.82 48.92 2 0 -26.03 -999 ? C8 ADN A 501s >TRP.A 8 47.95 -28.72 45.66 47.51 -29.66 41.87 47.73 -29.19 43.77 3 0 -27.13 -999 ? C5' ADN A 501s >GLY.A 9 53.21 -31.95 48.33 52.85 -31.98 47.54 53.03 -31.97 47.93 1 0 22.37 -999 ? C3' ADN A 501 >LEU.A 10 56.40 -34.68 46.01 57.25 -33.64 44.31 56.82 -34.16 45.16 3 0 19.89 -999 ? C3' ADN A 501 >LYS.A 11 53.69 -37.48 48.68 52.81 -40.13 53.26 53.25 -38.80 50.97 2 0 26.89 -999 ? C3' ADN A 501 >SER.A 12 50.14 -37.47 47.28 48.68 -36.38 48.92 49.41 -36.93 48.10 2 0 28.15 -999 ? C3' ADN A 501 >HIS~A 13 46.94 -39.66 43.91 45.04 -39.44 44.77 45.99 -39.55 44.34 3 0 32.01 -999 ? C3' ADN A 501 >TYR~A 14 46.58 -34.53 45.38 44.95 -35.29 47.53 45.76 -34.91 46.45 3 0 30.35 -999 ? C3' ADN A 501 >VAL~A 15 50.70 -33.58 41.36 52.64 -32.67 41.85 51.67 -33.13 41.60 3 0 24.76 -999 ? C5' ADN A 501 >GLY~A 16 50.91 -36.70 39.19 50.28 -36.24 39.29 50.59 -36.47 39.24 1 0 27.36 -999 ? O3' ADN A 501 >VAL~A 17 47.31 -36.77 38.02 45.91 -37.28 39.66 46.61 -37.03 38.84 3 0 31.38 -999 ? C5' ADN A 501 >ALA~A 18 47.55 -33.06 37.21 47.99 -31.92 38.17 47.77 -32.49 37.69 2 0 28.47 -999 ? C5' ADN A 501 >LYS~A 19 50.62 -33.72 35.03 56.28 -33.11 37.86 53.45 -33.42 36.45 2 0 21.66 -999 ? C5' ADN A 501 >ALA~A 20 48.86 -36.62 33.30 48.29 -37.86 33.97 48.57 -37.24 33.63 2 0 31.72 -999 ? C5' ADN A 501 >VAL~A 21 45.94 -34.31 32.43 44.20 -33.45 33.45 45.07 -33.88 32.94 3 0 33.35 -999 ? C5' ADN A 501 >ILE~A 22 49.51 -31.05 31.69 50.19 -29.91 32.21 49.85 -30.48 31.95 3 0 28.72 -999 ? C5' ADN A 501 >LYS~A 23 50.17 -34.46 28.98 55.74 -33.88 28.99 52.96 -34.17 28.98 2 0 26.80 -999 ? C5' ADN A 501 >ARG~A 24 44.78 -37.88 30.35 42.08 -39.35 30.34 43.43 -38.61 30.34 2 0 31.86 -999 ? O5' ADN C 503 >ILE~A 25 45.64 -31.23 27.13 44.84 -30.25 27.63 45.24 -30.74 27.38 3 0 30.82 -999 ? O5' ADN C 503 >ASN~A 26 49.88 -30.34 25.02 51.56 -29.86 23.80 50.72 -30.10 24.41 2 0 29.18 -999 ? O5' ADN C 503 >PRO.A 27 50.43 -35.75 23.61 51.48 -34.22 24.85 50.96 -34.99 24.23 3 0 27.78 -999 ? O5' ADN C 503 >SER.A 28 54.73 -32.10 24.13 54.82 -32.42 21.72 54.78 -32.26 22.92 2 0 27.68 -999 ? C5' ADN C 503 >ALA.A 29 54.13 -29.90 27.19 52.88 -29.92 28.08 53.50 -29.91 27.64 2 0 28.27 -999 ? C5' ADN A 501 >GLU.A 30 59.76 -28.57 29.36 60.52 -30.56 29.29 60.14 -29.57 29.33 2 0 22.31 -999 ? C5' ADN A 501 >ILE^A 31 55.33 -30.19 33.45 54.03 -30.62 33.83 54.68 -30.40 33.64 3 0 23.84 -999 ? C5' ADN A 501 >ILE^A 32 59.87 -26.65 34.72 61.27 -26.31 34.33 60.57 -26.48 34.52 3 0 17.76 -999 ? C5' ADN A 501 >ASP^A 33 58.28 -29.26 39.73 57.00 -30.80 39.02 57.64 -30.03 39.37 2 0 19.73 -999 ? C5' ADN A 501 >ILE^A 34 58.12 -23.48 40.74 57.99 -22.11 40.31 58.05 -22.80 40.53 3 0 16.98 -999 ? C5' ADN A 501 >THR^A 35 57.85 -26.52 44.05 58.01 -25.41 45.94 57.93 -25.97 44.99 2 0 16.33 -999 ? C5' ADN A 501 >HIS.A 36 54.48 -29.74 43.32 54.22 -29.40 41.26 54.35 -29.57 42.29 3 0 20.98 -999 ? C5' ADN A 501 >GLU.A 37 57.77 -29.82 48.99 56.22 -31.21 49.32 56.99 -30.51 49.16 2 0 19.36 -999 ? C3' ADN A 501 >VAL.A 38 54.53 -24.51 49.74 53.73 -22.77 48.69 54.13 -23.64 49.21 3 0 19.74 -999 ? C8 ADN A 501 >GLU.A 39 54.83 -23.79 54.83 55.98 -22.83 53.33 55.40 -23.31 54.08 2 0 17.86 -999 ? N7 ADN A 501 >PRO.A 40 49.94 -27.68 54.22 50.05 -25.67 53.28 50.00 -26.67 53.75 3 0 24.23 -999 ? N7 ADN A 501 >PHE.A 41 45.70 -23.96 53.77 44.85 -26.44 54.74 45.27 -25.20 54.25 3 0 -28.74 -999 ? N7 ADN A 501s >ASN~A 42 51.55 -20.69 52.89 52.56 -19.01 53.73 52.05 -19.85 53.31 2 0 21.56 -999 ? N7 ADN A 501 >VAL~A 43 49.41 -18.05 49.37 47.31 -17.47 49.50 48.36 -17.76 49.43 3 0 25.89 -999 ? N7 ADN A 501 >ARG~A 44 52.41 -12.97 53.82 50.41 -10.70 53.17 51.41 -11.83 53.50 2 0 26.13 -999 ? N7 ADN A 501 >LYS~A 45 54.68 -17.71 50.60 58.22 -21.26 52.44 56.45 -19.49 51.52 2 0 15.59 -999 ? N7 ADN A 501 >ALA~A 46 53.63 -18.88 47.12 52.32 -19.57 46.75 52.97 -19.23 46.94 2 0 22.08 -999 ? C8 ADN A 501 >SER~A 47 53.32 -15.29 45.86 53.08 -13.60 47.65 53.20 -14.44 46.75 2 0 22.80 -999 ? N7 ADN A 501 >HIS~A 48 57.13 -13.31 48.84 56.62 -11.47 49.70 56.88 -12.39 49.27 3 0 19.73 -999 ? N7 ADN A 501 >VAL~A 49 58.33 -18.03 45.50 58.45 -20.09 46.30 58.39 -19.06 45.90 3 0 16.54 -999 ? C8 ADN A 501 >LEU~A 50 54.89 -17.15 42.16 53.77 -17.33 40.31 54.33 -17.24 41.23 3 0 21.40 -999 ? C5' ADN A 501 >TYR~A 51 58.72 -11.74 42.00 60.53 -9.79 41.13 59.63 -10.77 41.56 3 0 19.54 -999 ? O5' ADN A 501 >ARG~A 52 62.08 -14.69 46.28 62.67 -12.89 48.71 62.37 -13.79 47.49 2 0 14.86 -999 ? N7 ADN A 501 >ALA~A 53 61.23 -18.28 40.29 60.36 -19.51 40.56 60.79 -18.89 40.43 2 0 15.36 -999 ? C5' ADN A 501 >SER~A 54 59.60 -16.47 37.36 58.62 -14.36 38.02 59.11 -15.41 37.69 2 0 19.45 -999 ? O5' ADN A 501 >LEU~A 55 63.51 -13.67 38.12 62.97 -11.87 39.16 63.24 -12.77 38.64 3 0 16.44 -999 ? O5' ADN A 501 >ASP.A 56 65.34 -18.20 36.36 66.72 -17.14 37.55 66.03 -17.67 36.95 2 0 12.26 -999 ? O5' ADN A 501 >PHE.A 57 60.23 -20.17 34.51 60.15 -22.62 35.92 60.19 -21.40 35.22 3 0 17.60 -999 ? C5' ADN A 501 >PRO.A 58 61.21 -19.36 28.96 61.57 -17.61 30.28 61.39 -18.49 29.62 3 0 20.80 -999 ? O5' ADN A 501 >PRO.A 59 60.42 -14.12 26.79 59.48 -15.15 28.55 59.95 -14.63 27.67 3 0 24.16 -999 ? O5' ADN A 501 >SER.A 60 55.69 -16.66 27.27 55.62 -15.82 24.98 55.65 -16.24 26.13 2 0 28.53 -999 ? O5' ADN A 501 >THR.A 61 56.05 -19.17 30.08 57.51 -19.78 31.56 56.78 -19.48 30.82 2 0 22.07 -999 ? O5' ADN A 501 >VAL^A 62 52.67 -20.37 31.37 50.94 -21.07 30.20 51.80 -20.72 30.79 3 0 27.03 -999 ? C5' ADN A 501 >PHE^A 63 54.55 -19.04 35.76 57.20 -18.24 35.20 55.88 -18.64 35.48 3 0 21.54 -999 ? O5' ADN A 501 >LEU^A 64 50.22 -24.53 36.36 48.54 -25.89 36.50 49.38 -25.21 36.43 3 0 26.53 -999 ? C5' ADN A 501 >VAL^A 65 49.88 -21.75 40.37 50.92 -19.89 40.83 50.40 -20.82 40.60 3 0 24.54 -999 ? C5' ADN A 501 >VAL^A 66 47.54 -23.64 42.66 46.24 -25.02 41.58 46.89 -24.33 42.12 3 0 -27.58 -999 ? C5' ADN A 501s >VAL.A 67 47.56 -22.87 46.39 49.23 -22.19 47.58 48.40 -22.53 46.99 3 0 -25.66 -999 ? C8 ADN A 501s >ASP.A 68 43.38 -23.06 45.10 41.44 -22.49 44.57 42.41 -22.77 44.84 2 0 -32.85 -999 ? C5' ADN A 501s >TYR.A 69 42.53 -20.81 51.17 42.40 -18.01 51.01 42.46 -19.41 51.09 3 0 -31.43 -999 ? N7 ADN A 501s >GLY.A 70 39.04 -21.42 48.46 39.45 -21.98 48.03 39.24 -21.70 48.24 1 0 34.86 -999 ? N7 ADN A 501 >VAL.A 71 38.62 -24.13 45.82 39.15 -26.26 45.64 38.88 -25.19 45.73 3 0 35.33 -999 ? C8 ADN A 501 >GLY.A 72 34.97 -24.62 44.86 35.23 -23.91 45.10 35.10 -24.27 44.98 1 0 38.74 -999 ? O2' ADN B 502 >THR.A 73 33.81 -21.28 46.27 35.19 -20.81 47.85 34.50 -21.04 47.06 2 0 37.04 -999 ? C2 ADN B 502 >SER.A 74 32.77 -18.08 44.48 32.30 -16.27 46.06 32.53 -17.17 45.27 2 0 31.44 -999 ? C2 ADN B 502 >ARG.A 75 39.17 -19.17 43.82 38.55 -21.61 42.04 38.86 -20.39 42.93 2 0 35.94 -999 ? C5' ADN A 501 >LYS.A 76 37.32 -16.45 40.59 33.92 -12.77 38.65 35.62 -14.61 39.62 2 0 26.72 -999 ? C2 ADN B 502 >ALA^A 77 39.61 -18.64 38.48 39.11 -19.97 37.92 39.36 -19.30 38.20 2 0 35.02 -999 ? O2' ADN B 502 >ILE^A 78 42.01 -15.03 36.97 42.08 -14.18 38.16 42.05 -14.60 37.56 3 0 32.93 -999 ? C2 ADN B 502 >VAL^A 79 44.58 -16.14 33.76 44.75 -17.40 31.98 44.67 -16.77 32.87 3 0 32.94 -999 ? C5' ADN A 501 >MET?A 80 46.84 -13.07 34.16 48.84 -10.85 37.28 47.84 -11.96 35.72 2 0 29.52 -999 ? O5' ADN A 501 >LYS^A 81 49.19 -11.87 31.40 50.12 -10.08 25.37 49.65 -10.97 28.38 2 0 33.92 -999 ? O5' ADN A 501 >THR^A 82 51.94 -9.58 32.71 52.91 -10.69 34.28 52.43 -10.13 33.50 2 0 27.12 -999 ? O5' ADN A 501 >LYS.A 83 53.84 -6.89 30.84 51.19 -1.26 31.94 52.52 -4.07 31.39 2 0 33.35 -999 ? C2 ADN B 502 >ASN.A 84 57.87 -9.42 31.81 56.95 -10.94 32.99 57.41 -10.18 32.40 2 0 24.46 -999 ? O5' ADN A 501 >ASP.A 85 55.66 -11.44 27.21 55.20 -9.83 25.91 55.43 -10.64 26.56 2 0 30.18 -999 ? O5' ADN A 501 >GLN.A 86 56.85 -14.44 31.98 58.14 -14.88 33.64 57.49 -14.66 32.81 2 0 21.58 -999 ? O5' ADN A 501 >TYR^A 87 50.58 -15.95 29.32 50.73 -14.67 26.82 50.65 -15.31 28.07 3 0 30.37 -999 ? O5' ADN A 501 >PHE^A 88 51.45 -15.60 36.31 54.06 -14.60 36.22 52.75 -15.10 36.26 3 0 24.87 -999 ? O5' ADN A 501 >VAL^A 89 46.85 -19.54 35.64 46.34 -21.07 34.15 46.59 -20.31 34.89 3 0 29.84 -999 ? C5' ADN A 501 >ALA^A 90 45.62 -19.31 39.22 46.74 -18.50 39.89 46.18 -18.91 39.56 2 0 28.58 -999 ? C5' ADN A 501 >PRO^A 91 44.32 -19.67 43.35 43.46 -18.91 41.43 43.89 -19.29 42.39 3 0 30.86 -999 ? C5' ADN A 501 >ASP.A 92 40.87 -14.30 41.64 40.77 -12.24 42.10 40.82 -13.27 41.87 2 0 31.61 -999 ? C2 ADN B 502 >ASN.A 93 43.23 -16.59 46.57 44.91 -17.78 45.96 44.07 -17.18 46.27 2 0 29.71 -999 ? C8 ADN A 501 >GLY.A 94 46.17 -12.87 45.86 46.27 -13.60 45.58 46.22 -13.24 45.72 1 0 29.72 -999 ? N7 ADN A 501 >VAL.A 95 48.79 -15.48 45.00 48.95 -17.43 44.07 48.87 -16.45 44.54 3 0 26.44 -999 ? C8 ADN A 501 >LEU~A 96 48.79 -13.42 40.63 48.65 -15.13 39.30 48.72 -14.28 39.96 3 0 27.81 -999 ? C5' ADN A 501 >THR~A 97 50.18 -10.24 43.97 49.58 -9.43 45.89 49.88 -9.84 44.93 2 0 28.00 -999 ? N7 ADN A 501 >VAL~A 98 53.97 -10.06 43.63 55.52 -10.75 45.06 54.75 -10.41 44.35 3 0 23.48 -999 ? O5' ADN A 501 >VAL~A 99 54.27 -10.77 39.88 53.75 -12.85 39.36 54.01 -11.81 39.62 3 0 24.03 -999 ? O5' ADN A 501 >ALA~A 100 51.44 -8.27 39.22 50.03 -8.30 39.85 50.74 -8.29 39.54 2 0 29.06 -999 ? O5' ADN A 501 >GLU~A 101 54.33 -4.57 43.34 53.56 -2.62 43.17 53.94 -3.60 43.26 2 0 29.22 -999 ? O5' ADN A 501 >GLU~A 102 57.88 -7.50 41.99 58.70 -5.71 42.76 58.29 -6.61 42.38 2 0 23.44 -999 ? O5' ADN A 501 >TYR~A 103 56.73 -9.41 36.17 58.68 -11.37 36.68 57.71 -10.39 36.43 3 0 22.68 -999 ? O5' ADN A 501 >GLY~A 104 52.71 -4.94 35.90 52.79 -5.81 35.79 52.75 -5.38 35.84 1 0 29.70 -999 ? O5' ADN A 501 >VAL^A 105 49.60 -6.54 34.37 47.72 -6.68 35.56 48.66 -6.61 34.97 3 0 32.24 -999 ? O5' ADN A 501 >ALA^A 106 48.70 -6.33 30.69 49.54 -6.95 29.59 49.12 -6.64 30.14 2 0 33.47 -999 ? O5' ADN A 501 >GLU^A 107 43.77 -9.16 29.15 43.35 -9.22 27.07 43.56 -9.19 28.11 2 0 30.18 -999 ? O2' ADN B 502 >ILE^A 108 43.00 -10.09 34.48 43.24 -10.03 35.89 43.12 -10.06 35.18 3 0 30.38 -999 ? C2 ADN B 502 >ARG^A 109 40.40 -12.58 28.68 39.55 -11.09 26.16 39.98 -11.83 27.42 2 0 28.01 -999 ? O2' ADN B 502 >GLU^A 110 36.28 -15.52 35.39 34.51 -14.76 36.29 35.39 -15.14 35.84 2 0 27.90 -999 ? O2' ADN B 502 >ILE.A 111 39.04 -19.84 33.92 40.07 -20.84 34.05 39.55 -20.34 33.99 3 0 34.68 -999 ? O2' ADN B 502 >GLU.A 112 34.36 -16.84 32.23 33.25 -15.12 31.75 33.80 -15.98 31.99 2 0 26.37 -999 ? O2' ADN B 502 >ASN~A 113 36.46 -21.13 27.47 36.25 -22.27 25.68 36.36 -21.70 26.58 2 0 33.68 -999 ? O5' ADN C 503 >ARG~A 114 30.99 -24.73 31.72 31.11 -25.46 34.70 31.05 -25.09 33.21 2 0 34.46 -999 ? O2' ADN B 502 >GLU~A 115 34.06 -25.84 24.57 32.96 -27.61 24.92 33.51 -26.73 24.74 2 0 31.15 -999 ? O5' ADN C 503 >LEU~A 116 39.61 -24.62 28.38 40.06 -23.12 26.89 39.84 -23.87 27.64 3 0 33.98 -999 ? O5' ADN C 503 >PHE~A 117 36.42 -26.82 32.46 35.63 -24.37 33.58 36.02 -25.59 33.02 3 0 36.61 -999 ? O2' ADN B 502 >TYR.A 118 40.42 -33.54 33.27 40.71 -36.29 33.72 40.56 -34.92 33.49 3 0 35.57 -999 ? O5' ADN C 503 >LYS.A 119 35.96 -32.89 32.88 36.24 -36.23 37.83 36.10 -34.56 35.35 2 0 40.08 -999 ? O5' ADN C 503 >LYS.A 120 32.49 -31.69 31.95 29.09 -34.13 27.73 30.79 -32.91 29.84 2 0 32.86 -999 ? O5' ADN C 503 >ASN.A 121 30.69 -32.98 36.14 29.06 -33.27 34.78 29.88 -33.13 35.46 2 0 39.43 -999 ? O5' ADN C 503 >PRO.A 122 34.38 -28.60 36.12 34.08 -30.53 37.19 34.23 -29.57 36.66 3 0 39.81 -999 ? O2' ADN B 502 >SER.A 123 35.19 -31.81 41.12 37.57 -31.88 41.56 36.38 -31.85 41.34 2 0 37.78 -999 ? C5' ADN A 501 >PHE.A 124 32.00 -30.08 44.38 29.57 -31.06 43.39 30.78 -30.57 43.89 3 0 41.52 -999 ? O2' ADN B 502 >THR.A 125 37.79 -29.49 45.60 37.17 -30.61 47.36 37.48 -30.05 46.48 2 0 -37.58 -999 ? C8 ADN A 501s >PHE~A 126 42.13 -31.99 42.36 44.80 -32.59 41.72 43.46 -32.29 42.04 3 0 -32.14 -999 ? C5' ADN A 501s >HIS~A 127 38.16 -25.89 40.82 36.10 -25.92 41.26 37.13 -25.90 41.04 3 0 37.46 -999 ? C5' ADN A 501 >GLY~A 128 43.86 -27.74 39.97 43.20 -28.20 39.63 43.53 -27.97 39.80 1 0 31.15 -999 ? C5' ADN A 501 >ARG~A 129 42.26 -34.65 38.21 39.78 -35.65 39.73 41.02 -35.15 38.97 2 0 36.92 -999 ? C5' ADN A 501 >ASP~A 130 38.53 -30.43 37.07 38.56 -32.33 38.00 38.54 -31.38 37.54 2 0 37.47 -999 ? C5' ADN A 501 >ILE~A 131 39.33 -25.54 36.25 38.15 -24.79 36.50 38.74 -25.16 36.38 3 0 36.70 -999 ? C5' ADN A 501 >PHE~A 132 43.43 -23.62 38.30 41.98 -21.85 39.94 42.70 -22.74 39.12 3 0 32.21 -999 ? C5' ADN A 501 >ALA~A 133 45.88 -27.57 34.71 46.05 -28.97 35.31 45.97 -28.27 35.01 2 0 30.45 -999 ? C5' ADN A 501 >PRO~A 134 41.95 -28.37 32.87 44.09 -28.06 32.21 43.02 -28.22 32.54 3 0 34.12 -999 ? C5' ADN A 501 >VAL~A 135 43.68 -24.35 30.92 42.44 -22.68 31.62 43.06 -23.52 31.27 3 0 34.30 -999 ? C5' ADN A 501 >ALA~A 136 47.48 -24.01 31.38 48.27 -24.40 32.63 47.88 -24.20 32.00 2 0 29.01 -999 ? C5' ADN A 501 >ALA~A 137 47.95 -26.90 28.92 47.34 -28.29 29.06 47.64 -27.60 28.99 2 0 31.88 -999 ? C5' ADN A 501 >HIS~A 138 43.45 -26.19 26.26 42.38 -27.97 25.94 42.91 -27.08 26.10 3 0 30.98 -999 ? O5' ADN C 503 >LEU~A 139 47.56 -21.03 27.96 46.06 -19.62 28.64 46.81 -20.32 28.30 3 0 32.59 -999 ? C5' ADN A 501 >ASP~A 140 51.53 -24.52 27.47 53.58 -24.96 27.11 52.56 -24.74 27.29 2 0 27.71 -999 ? C5' ADN A 501 >MET?A 141 49.71 -25.15 23.24 47.51 -28.66 22.75 48.61 -26.90 23.00 2 0 27.75 -999 ? O5' ADN C 503 >GLY~A 142 48.95 -21.72 21.74 48.38 -21.99 22.18 48.67 -21.86 21.96 1 0 31.01 -999 ? O5' ADN C 503 >LEU~A 143 44.52 -21.67 23.78 42.41 -21.69 24.22 43.47 -21.68 24.00 3 0 32.12 -999 ? O5' ADN C 503 >PRO~A 144 44.10 -17.82 19.98 44.73 -18.05 22.11 44.41 -17.94 21.04 3 0 32.45 -999 ? O5' ADN C 503 >LEU~A 145 45.08 -14.41 26.07 45.34 -13.80 28.13 45.21 -14.10 27.10 3 0 34.32 -999 ? O2' ADN B 502 >GLU~A 146 40.81 -13.95 22.01 40.15 -12.68 20.45 40.48 -13.32 21.23 2 0 30.16 -999 ? O3' ADN B 502 >ARG~A 147 38.97 -17.77 21.26 37.97 -16.20 18.82 38.47 -16.99 20.04 2 0 31.09 -999 ? O3' ADN B 502 >VAL~A 148 39.73 -18.24 27.99 41.43 -18.18 29.36 40.58 -18.21 28.67 3 0 33.34 -999 ? O2' ADN B 502 >GLY~A 149 36.73 -16.05 28.82 37.37 -15.57 28.54 37.05 -15.81 28.68 1 0 29.10 -999 ? O2' ADN B 502 >ASP~A 150 34.53 -11.89 30.08 32.88 -12.30 28.84 33.71 -12.09 29.46 2 0 23.74 -999 ? O2' ADN B 502 >ARG~A 151 40.06 -7.42 28.23 39.39 -7.30 25.24 39.73 -7.36 26.74 2 0 25.93 -999 ? O2' ADN B 502 >LEU~A 152 38.92 -9.84 35.43 37.71 -11.40 36.31 38.31 -10.62 35.87 3 0 27.27 -999 ? C2 ADN B 502 >LEU~A 153 38.49 -4.10 35.31 38.01 -3.34 33.35 38.25 -3.72 34.33 3 0 22.69 -999 ? C2 ADN B 502 >SER~A 154 40.54 -6.11 39.05 38.44 -6.12 40.28 39.49 -6.11 39.66 2 0 25.57 -999 ? C2 ADN B 502 >TYR~A 155 44.46 -8.63 40.51 46.74 -7.05 40.90 45.60 -7.84 40.71 3 0 32.25 -999 ? C2 ADN B 502 >GLU~A 156 40.69 -11.22 45.59 39.84 -9.62 46.68 40.26 -10.42 46.14 2 0 31.23 -999 ? C2 ADN B 502 >VAL~A 157 45.73 -8.25 46.35 46.58 -6.39 45.56 46.15 -7.32 45.95 3 0 31.93 -999 ? N7 ADN A 501 >LEU~A 158 48.61 -10.56 49.47 48.14 -12.64 49.73 48.38 -11.60 49.60 3 0 27.63 -999 ? N7 ADN A 501 >LYS~A 159 48.51 -6.63 51.83 43.39 -5.76 53.13 45.95 -6.20 52.48 2 0 34.63 -999 ? N7 ADN A 501 >MET?A 160 52.28 -6.11 51.92 53.62 -8.89 49.03 52.95 -7.50 50.47 2 0 24.35 -999 ? N7 ADN A 501 >ARG~A 161 56.55 -2.33 56.21 58.54 -4.04 57.78 57.55 -3.19 57.00 2 0 23.89 -999 ? N6 ADN A 501 >LYS~A 162 56.99 -2.15 51.42 56.14 -1.34 47.44 56.57 -1.75 49.43 2 0 27.73 -999 ? N7 ADN A 501 >PRO~A 163 61.06 -3.77 51.47 59.86 -2.35 52.68 60.46 -3.06 52.07 3 0 23.26 -999 ? N6 ADN A 501 >VAL^A 164 62.19 1.18 53.30 60.38 2.30 53.80 61.28 1.74 53.55 3 0 26.67 -999 ? N6 ADN A 501 >VAL^A 165 65.40 2.88 54.36 67.34 2.93 53.37 66.37 2.90 53.87 3 0 25.60 -999 ? N6 ADN A 501 >GLU~A 166 62.77 3.65 58.15 63.63 2.54 59.74 63.20 3.09 58.94 2 0 26.83 -999 ? N6 ADN A 501 >ASN~A 167 66.89 6.21 61.10 65.38 7.69 61.41 66.13 6.95 61.25 2 0 31.25 -999 ? N6 ADN A 501 >GLU~A 168 71.96 6.20 59.64 73.25 6.60 61.27 72.60 6.40 60.46 2 0 28.77 -999 ? N6 ADN A 501 >LYS^A 169 68.53 1.22 58.63 64.61 1.11 63.63 66.57 1.16 61.13 2 0 26.26 -999 ? N6 ADN A 501 >VAL^A 170 66.11 -0.87 56.61 67.48 -1.56 55.08 66.79 -1.21 55.85 3 0 21.63 -999 ? N6 ADN A 501 >ILE^A 171 62.16 -2.03 59.09 61.61 -1.83 60.46 61.89 -1.93 59.77 3 0 23.85 -999 ? N6 ADN A 501 >GLY^A 172 61.65 -5.68 56.38 61.74 -5.88 57.20 61.69 -5.78 56.79 1 0 20.45 -999 ? N6 ADN A 501 >GLU^A 173 58.02 -8.22 57.20 55.99 -8.27 56.61 57.00 -8.24 56.91 2 0 22.93 -999 ? N6 ADN A 501 >VAL^A 174 61.62 -12.74 56.37 62.58 -14.15 57.71 62.10 -13.44 57.04 3 0 15.10 -999 ? N6 ADN A 501 >ALA^A 175 60.10 -13.94 53.08 60.38 -13.25 51.75 60.24 -13.60 52.42 2 0 16.18 -999 ? N7 ADN A 501 >ILE^A 176 61.88 -17.71 51.20 61.56 -18.25 49.96 61.72 -17.98 50.58 3 0 12.84 -999 ? N7 ADN A 501 >VAL^A 177 63.75 -19.75 54.84 63.83 -20.04 57.01 63.79 -19.90 55.93 3 0 11.12 -999 ? N7 ADN A 501 >ASP~A 178 66.25 -22.03 51.35 68.25 -21.66 51.94 67.25 -21.84 51.65 2 0 5.55 -999 ? N7 ADN A 501 >THR~A 179 66.54 -25.86 53.32 66.08 -27.70 52.31 66.31 -26.78 52.81 2 0 9.29 -999 ? C8 ADN A 501 >PHE~A 180 71.14 -24.60 52.12 71.45 -25.90 49.65 71.29 -25.25 50.89 3 0 -3.47 -999 ? C8 ADN A 501s >GLY~A 181 68.29 -22.31 56.85 68.59 -22.01 56.12 68.44 -22.16 56.49 1 0 6.97 -999 ? N6 ADN A 501 >ASN~A 182 69.71 -19.21 53.37 71.51 -20.32 52.97 70.61 -19.76 53.17 2 0 -3.32 -999 ? N7 ADN A 501s >VAL^A 183 67.03 -16.30 55.69 66.55 -15.87 57.78 66.79 -16.08 56.73 3 0 9.78 -999 ? N6 ADN A 501 >SER^A 184 65.90 -14.34 52.64 65.50 -14.00 50.28 65.70 -14.17 51.46 2 0 11.82 -999 ? N7 ADN A 501 >THR^A 185 64.06 -11.06 53.20 65.58 -9.73 53.95 64.82 -10.40 53.58 2 0 14.74 -999 ? N6 ADN A 501 >ASN^A 186 60.32 -8.64 51.49 60.10 -7.17 53.03 60.21 -7.91 52.26 2 0 20.37 -999 ? N6 ADN A 501 >ILE^A 187 65.34 -5.97 52.40 65.68 -5.33 53.58 65.51 -5.65 52.99 3 0 18.20 -999 ? N6 ADN A 501 >PRO^A 188 64.01 -4.58 47.17 65.64 -5.62 48.30 64.83 -5.10 47.74 3 0 19.81 -999 ? N7 ADN A 501 >PHE~A 189 72.14 -6.85 48.17 74.59 -6.92 49.52 73.37 -6.89 48.85 3 0 15.48 -999 ? N6 ADN A 501 >ASP~A 190 69.19 -2.13 44.79 69.73 -3.33 43.16 69.46 -2.73 43.97 2 0 20.00 -999 ? O5' ADN A 501 >LEU~A 191 66.54 -1.17 49.24 65.10 0.03 50.32 65.82 -0.57 49.78 3 0 23.01 -999 ? N6 ADN A 501 >PHE~A 192 71.80 -3.74 52.57 73.98 -4.18 54.27 72.89 -3.96 53.42 3 0 17.45 -999 ? N6 ADN A 501 >LEU~A 193 73.64 -1.20 48.02 74.94 -2.90 47.74 74.29 -2.05 47.88 3 0 20.30 -999 ? N6 ADN A 501 >LYS~A 194 71.74 2.73 50.05 66.22 3.85 47.13 68.98 3.29 48.59 2 0 27.50 -999 ? N6 ADN A 501 >LEU~A 195 72.77 1.62 54.67 70.92 1.26 55.71 71.85 1.44 55.19 3 0 22.92 -999 ? N6 ADN A 501 >SER~A 196 76.30 3.35 51.88 76.55 4.97 53.69 76.42 4.16 52.78 2 0 26.33 -999 ? N6 ADN A 501 >VAL~A 197 77.73 -0.03 52.86 76.07 -0.99 53.89 76.90 -0.51 53.38 3 0 20.91 -999 ? N6 ADN A 501 >ASP~A 198 81.22 -1.42 50.40 82.33 -2.34 48.86 81.78 -1.88 49.63 2 0 21.01 -999 ? N1 ADN A 501 >PHE~A 199 80.53 -6.92 48.69 78.33 -7.41 47.03 79.43 -7.16 47.86 3 0 16.17 -999 ? N1 ADN A 501 >ASP~A 200 85.02 -6.02 53.17 85.73 -7.37 51.71 85.37 -6.70 52.44 2 0 17.26 -999 ? N1 ADN A 501 >ASP~A 201 80.81 -2.84 55.38 81.80 -1.08 54.82 81.30 -1.96 55.10 2 0 21.41 -999 ? N6 ADN A 501 >VAL^A 202 80.00 -5.06 59.07 80.91 -6.09 60.76 80.45 -5.57 59.91 3 0 17.62 -999 ? N6 ADN A 501 >VAL^A 203 76.37 -4.29 59.88 75.46 -4.59 57.92 75.91 -4.44 58.90 3 0 17.49 -999 ? N6 ADN A 501 >ARG^A 204 74.81 -2.59 65.44 74.64 0.48 65.56 74.72 -1.05 65.50 2 0 24.48 -999 ? N6 ADN A 501 >VAL^A 205 70.96 -7.47 62.29 70.94 -9.23 61.01 70.95 -8.35 61.65 3 0 15.32 -999 ? N6 ADN A 501 >ARG^A 206 66.00 -4.01 66.07 63.59 -2.15 66.42 64.79 -3.08 66.24 2 0 25.21 -999 ? N6 ADN A 501 >VAL^A 207 65.49 -9.70 65.23 66.64 -11.37 64.42 66.06 -10.54 64.83 3 0 17.32 -999 ? N6 ADN A 501 >GLY~A 208 63.11 -9.48 68.15 63.78 -8.99 67.95 63.45 -9.24 68.05 1 0 21.55 -999 ? N6 ADN A 501 >ARG~A 209 62.96 -8.93 74.36 62.23 -11.49 75.89 62.60 -10.21 75.13 2 0 26.75 -999 ? N6 ADN A 501 >LYS^A 210 68.26 -9.78 69.64 66.58 -15.84 69.21 67.42 -12.81 69.42 2 0 17.79 -999 ? N6 ADN A 501 >GLU^A 211 72.37 -5.81 67.57 72.25 -3.72 67.93 72.31 -4.77 67.75 2 0 22.33 -999 ? N6 ADN A 501 >PHE^A 212 72.68 -11.83 65.74 71.05 -13.79 66.90 71.86 -12.81 66.32 3 0 14.94 -999 ? N6 ADN A 501 >LYS^A 213 76.84 -8.25 63.90 79.52 -5.74 68.02 78.18 -7.00 65.96 2 0 21.24 -999 ? N6 ADN A 501 >ALA^A 214 77.30 -9.66 60.39 75.95 -10.10 59.87 76.62 -9.88 60.13 2 0 12.52 -999 ? N6 ADN A 501 >ALA^A 215 79.75 -9.09 57.56 81.02 -9.90 57.34 80.39 -9.49 57.45 2 0 13.35 -999 ? N6 ADN A 501 >VAL^A 216 78.48 -7.97 54.18 77.60 -6.06 53.64 78.04 -7.01 53.91 3 0 14.66 -999 ? N6 ADN A 501 >ALA~A 217 79.84 -10.65 51.86 80.31 -11.86 52.65 80.08 -11.26 52.26 2 0 10.79 -999 ? N1 ADN A 501 >LYS~A 218 79.52 -12.16 48.37 83.57 -8.69 44.92 81.55 -10.43 46.65 2 0 16.43 -999 ? O5' ADN A 501 >ALA~A 219 80.04 -15.86 49.08 81.19 -16.55 48.33 80.61 -16.20 48.70 2 0 8.29 -999 ? C2 ADN A 501 >PHE~A 220 77.23 -19.25 51.54 74.74 -19.27 50.25 75.99 -19.26 50.90 3 0 -3.49 -999 ? C5 ADN A 501s >GLY~A 221 82.93 -18.92 52.20 82.65 -18.17 52.18 82.79 -18.55 52.19 1 0 6.46 -999 ? C2 ADN A 501 >ASP~A 222 83.22 -14.06 51.92 83.57 -13.93 49.84 83.39 -14.00 50.88 2 0 10.90 -999 ? C2 ADN A 501 >VAL~A 223 83.63 -15.61 56.36 81.56 -15.01 56.62 82.59 -15.31 56.49 3 0 9.29 -999 ? N1 ADN A 501 >ASP~A 224 85.39 -18.03 60.23 87.08 -16.75 60.19 86.23 -17.39 60.21 2 0 13.25 -999 ? N1 ADN A 501 >THR~A 225 82.58 -21.34 59.17 83.87 -23.06 59.14 83.22 -22.20 59.15 2 0 8.93 -999 ? C2 ADN A 501 >GLY~A 226 79.66 -20.74 61.51 79.92 -20.14 61.02 79.79 -20.44 61.27 1 0 8.46 -999 ? N1 ADN A 501 >GLU~A 227 82.19 -16.24 61.55 81.68 -15.30 63.36 81.93 -15.77 62.46 2 0 12.78 -999 ? N1 ADN A 501 >LEU^A 228 76.00 -14.02 60.91 74.25 -14.47 62.09 75.12 -14.24 61.50 3 0 10.03 -999 ? N6 ADN A 501 >LEU^A 229 77.60 -13.53 55.63 77.38 -15.40 54.57 77.49 -14.47 55.10 3 0 7.40 -999 ? N6 ADN A 501 >VAL^A 230 74.49 -10.53 54.77 73.41 -8.76 55.46 73.95 -9.65 55.12 3 0 11.69 -999 ? N6 ADN A 501 >HIS^A 231 74.52 -13.44 50.65 73.40 -15.19 50.38 73.96 -14.31 50.51 3 0 8.00 -999 ? N6 ADN A 501 >PRO^A 232 74.26 -10.21 46.68 72.86 -10.68 48.35 73.56 -10.45 47.52 3 0 12.47 -999 ? O5' ADN A 501 >ASP~A 233 69.30 -14.59 47.88 67.52 -13.59 47.31 68.41 -14.09 47.59 2 0 11.58 -999 ? N7 ADN A 501 >SER~A 234 70.13 -15.38 43.67 68.78 -17.40 43.85 69.46 -16.39 43.76 2 0 8.04 -999 ? O5' ADN A 501 >ALA~A 235 67.04 -13.20 43.09 65.66 -13.65 43.60 66.35 -13.43 43.35 2 0 12.86 -999 ? O5' ADN A 501 >GLY~A 236 68.58 -9.91 44.24 68.21 -10.36 44.78 68.39 -10.14 44.51 1 0 14.15 -999 ? O5' ADN A 501 >PHE^A 237 64.62 -10.35 47.32 62.38 -9.49 45.87 63.50 -9.92 46.60 3 0 16.88 -999 ? N7 ADN A 501 >LEU^A 238 68.97 -8.12 51.84 69.72 -7.83 53.86 69.34 -7.98 52.85 3 0 14.43 -999 ? N6 ADN A 501 >GLU^A 239 69.64 -15.23 52.33 69.64 -16.75 50.85 69.64 -15.99 51.59 2 0 7.00 -999 ? N7 ADN A 501 >ILE^A 240 70.63 -13.13 57.34 70.27 -12.39 57.50 70.45 -12.76 57.42 3 0 10.02 -999 ? N6 ADN A 501 >ALA^A 241 73.14 -16.83 56.21 73.55 -17.37 54.82 73.34 -17.10 55.51 2 0 4.11 -999 ? N6 ADN A 501 >VAL^A 242 75.53 -18.78 58.40 75.20 -19.54 60.41 75.36 -19.16 59.41 3 0 -5.51 -999 ? N6 ADN A 501s >ASN~A 243 79.86 -19.50 56.32 81.25 -20.65 55.19 80.55 -20.07 55.76 2 0 -4.77 -999 ? C2 ADN A 501s >LEU~A 244 79.43 -24.39 56.83 80.75 -25.19 55.33 80.09 -24.79 56.08 3 0 -4.66 -999 ? C2 ADN A 501s >GLY~A 245 75.26 -23.35 59.15 74.99 -23.09 58.40 75.12 -23.22 58.78 1 0 5.24 -999 ? N6 ADN A 501 >ASP~A 246 70.73 -23.64 60.26 68.68 -23.47 59.87 69.71 -23.55 60.07 2 0 8.46 -999 ? N6 ADN A 501 >ALA~A 247 70.77 -18.82 60.02 70.84 -17.78 58.90 70.80 -18.30 59.46 2 0 6.93 -999 ? N6 ADN A 501 >SER~A 248 67.11 -19.45 60.82 66.44 -21.68 60.07 66.77 -20.57 60.44 2 0 10.07 -999 ? N6 ADN A 501 >GLN~A 249 68.24 -23.89 63.32 69.40 -25.66 63.06 68.82 -24.77 63.19 2 0 11.10 -999 ? N6 ADN A 501 >VAL~A 250 71.01 -18.95 64.97 73.11 -18.74 64.41 72.06 -18.85 64.69 3 0 10.94 -999 ? N6 ADN A 501 >LEU~A 251 68.34 -15.31 63.26 69.59 -13.94 62.16 68.97 -14.62 62.71 3 0 12.13 -999 ? N6 ADN A 501 >SER~A 252 65.76 -18.10 65.79 64.62 -18.50 67.88 65.19 -18.30 66.84 2 0 17.11 -999 ? N6 ADN A 501 >VAL~A 253 63.49 -16.55 63.19 64.04 -15.12 61.64 63.76 -15.84 62.42 3 0 14.65 -999 ? N6 ADN A 501 >LYS~A 254 60.66 -17.72 60.92 57.10 -16.35 64.72 58.88 -17.03 62.82 2 0 21.03 -999 ? N6 ADN A 501 >GLU~A 255 59.38 -18.51 56.27 58.79 -19.64 54.58 59.09 -19.08 55.43 2 0 15.49 -999 ? N7 ADN A 501 >GLY~A 256 56.92 -13.39 58.38 57.68 -13.43 58.70 57.30 -13.41 58.54 1 0 19.89 -999 ? N6 ADN A 501 >ASP~A 257 60.19 -13.00 62.00 59.42 -14.55 63.20 59.81 -13.77 62.60 2 0 18.92 -999 ? N6 ADN A 501 >GLU^A 258 59.94 -6.05 61.40 58.81 -4.49 62.28 59.38 -5.27 61.84 2 0 24.45 -999 ? N6 ADN A 501 >ILE^A 259 64.50 -8.99 59.42 65.68 -9.95 59.19 65.09 -9.47 59.30 3 0 16.03 -999 ? N6 ADN A 501 >GLU^A 260 66.01 -2.64 61.98 65.42 -1.58 63.72 65.72 -2.11 62.85 2 0 23.71 -999 ? N6 ADN A 501 >ILE^A 261 69.58 -4.55 57.67 70.14 -5.92 57.68 69.86 -5.23 57.68 3 0 17.10 -999 ? N6 ADN A 501 >CYH^A 262 71.19 -1.36 60.82 69.29 -1.57 62.90 70.24 -1.47 61.86 2 0 22.16 -999 ? N6 ADN A 501 >ARG~A 263 76.64 1.88 57.72 79.22 0.27 58.11 77.93 1.07 57.91 2 0 22.33 -999 ? N6 ADN A 501 >MET?B 1 9.93 -4.51 7.80 7.99 -7.95 9.51 8.96 -6.23 8.65 2 0 22.19 -999 ? O3' ADN B 502 >ILE^B 2 11.25 -1.29 10.99 11.96 -0.02 10.93 11.61 -0.65 10.96 3 0 16.26 -999 ? O3' ADN B 502 >GLY^B 3 11.41 -4.28 14.46 11.74 -3.47 14.26 11.58 -3.87 14.36 1 0 15.22 -999 ? O3' ADN B 502 >PHE^B 4 10.21 1.07 17.05 10.84 3.69 17.81 10.53 2.38 17.43 3 0 10.23 -999 ? O3' ADN B 502 >LEU^B 5 12.94 -3.04 20.67 13.61 -4.01 22.48 13.27 -3.53 21.58 3 0 9.90 -999 ? O3' ADN B 502 >THR^B 6 12.53 0.86 23.26 11.45 2.45 22.23 11.99 1.66 22.74 2 0 6.37 -999 ? O3' ADN B 502 >ASP~B 7 13.41 1.68 27.81 14.69 3.33 27.43 14.05 2.50 27.62 2 0 -2.90 -999 ? O2' ADN B 502s >TRP~B 8 12.59 5.26 24.27 12.16 6.23 20.48 12.37 5.74 22.38 3 0 -4.71 -999 ? C5' ADN B 502s >GLY~B 9 6.73 3.55 26.96 6.91 3.84 26.17 6.82 3.69 26.56 1 0 9.62 -999 ? C3' ADN B 502 >LEU~B 10 2.58 2.80 24.69 3.10 1.35 23.19 2.84 2.07 23.94 3 0 13.86 -999 ? O3' ADN B 502 >LYS~B 11 2.22 6.71 27.37 0.86 9.93 31.28 1.54 8.32 29.33 2 0 14.82 -999 ? N7 ADN B 502 >SER~B 12 4.56 9.37 25.98 6.26 9.69 27.68 5.41 9.53 26.83 2 0 9.49 -999 ? C8 ADN B 502 >HIS~B 13 5.10 13.21 22.53 6.55 14.52 23.29 5.82 13.87 22.91 3 0 11.70 -999 ? C5' ADN B 502 >TYR~B 14 9.20 10.02 24.10 9.72 11.82 26.18 9.46 10.92 25.14 3 0 7.10 -999 ? C5' ADN B 502 >VAL~B 15 7.02 6.40 19.98 6.46 4.36 20.56 6.74 5.38 20.27 3 0 10.41 -999 ? C5' ADN B 502 >GLY~B 16 4.49 8.23 17.82 5.28 8.37 17.91 4.89 8.30 17.86 1 0 13.15 -999 ? C5' ADN B 502 >VAL~B 17 6.81 10.99 16.60 7.42 12.19 18.31 7.11 11.59 17.46 3 0 11.68 -999 ? C5' ADN B 502 >ALA~B 18 9.60 8.53 15.86 10.17 7.51 16.84 9.89 8.02 16.35 2 0 9.45 -999 ? C5' ADN B 502 >LYS~B 19 7.17 6.53 13.71 3.78 2.06 16.69 5.48 4.30 15.20 2 0 15.55 -999 ? O3' ADN B 502 >ALA~B 20 6.08 9.73 11.98 5.72 11.03 12.68 5.90 10.38 12.33 2 0 15.74 -999 ? O5' ADN B 502 >VAL~B 21 9.68 10.42 10.96 11.42 11.22 11.99 10.55 10.82 11.47 3 0 13.86 -999 ? O5' ADN B 502 >ILE~B 22 9.84 5.59 10.39 10.36 4.35 10.94 10.10 4.97 10.66 3 0 15.17 -999 ? C5' ADN B 502 >LYS~B 23 6.77 7.27 7.70 3.95 2.70 7.93 5.36 4.99 7.81 2 0 21.01 -999 ? C5' ADN B 502 >ARG~B 24 7.97 13.45 9.01 8.22 16.51 9.12 8.09 14.98 9.07 2 0 18.45 -999 ? O5' ADN B 502 >ILE~B 25 12.21 8.49 5.78 13.62 8.47 6.16 12.92 8.48 5.97 3 0 18.23 -999 ? O5' ADN B 502 >ASN~B 26 10.24 4.64 3.96 9.50 2.85 3.06 9.87 3.74 3.51 2 0 22.81 -999 ? C5' ADN B 502 >PRO~B 27 5.86 8.02 2.56 6.23 6.11 3.63 6.05 7.06 3.09 3 0 23.38 -999 ? O5' ADN B 502 >SER~B 28 5.65 2.32 2.84 5.73 0.56 1.17 5.69 1.44 2.01 2 0 26.39 -999 ? C5' ADN B 502 >ALA~B 29 7.78 1.26 5.81 8.65 2.19 6.64 8.21 1.72 6.22 2 0 20.01 -999 ? C5' ADN B 502 >GLU~B 30 4.94 -3.73 8.01 2.98 -2.95 7.81 3.96 -3.34 7.91 2 0 23.50 -999 ? O3' ADN B 502 >ILE^B 31 6.78 0.66 12.22 7.35 1.91 12.63 7.07 1.28 12.43 3 0 16.33 -999 ? C5' ADN B 502 >ILE^B 32 6.57 -5.14 13.51 6.14 -5.34 12.84 6.35 -5.24 13.17 3 0 18.85 -999 ? O3' ADN B 502 >ASP^B 33 5.54 -2.09 18.48 5.14 -0.18 17.70 5.34 -1.14 18.09 2 0 14.55 -999 ? O3' ADN B 502 >ILE^B 34 9.99 -5.78 19.48 11.18 -6.57 19.18 10.59 -6.18 19.33 3 0 14.01 -999 ? O3' ADN B 502 >THR^B 35 7.74 -3.70 22.67 8.52 -4.54 24.50 8.13 -4.12 23.59 2 0 12.39 -999 ? O3' ADN B 502 >HIS~B 36 7.53 0.92 22.04 7.90 1.05 19.98 7.71 0.98 21.01 3 0 10.48 -999 ? O3' ADN B 502 >GLU~B 37 5.27 -1.24 27.58 3.44 -2.00 28.32 4.35 -1.62 27.95 2 0 14.94 -999 ? O3' ADN B 502 >VAL~B 38 11.35 -2.38 28.63 13.10 -3.00 27.52 12.23 -2.69 28.07 3 0 9.12 -999 ? O2' ADN B 502 >GLU~B 39 11.80 -2.98 33.84 11.80 -4.82 32.75 11.80 -3.90 33.29 2 0 12.15 -999 ? O2' ADN B 502 >PRO~B 40 12.00 3.12 33.00 13.49 1.75 32.07 12.74 2.44 32.53 3 0 6.68 -999 ? O2' ADN B 502 >PHE~B 41 17.61 3.98 32.56 16.30 6.23 33.57 16.96 5.10 33.07 3 0 -4.34 -999 ? C2 ADN B 502s >ASN~B 42 16.29 -2.57 31.68 16.82 -4.51 32.39 16.56 -3.54 32.04 2 0 10.63 -999 ? O2' ADN B 502 >VAL~B 43 19.65 -2.78 28.10 21.50 -1.65 28.19 20.58 -2.21 28.14 3 0 8.29 -999 ? O2' ADN B 502 >ARG~B 44 21.00 -8.48 32.59 23.97 -9.00 31.99 22.48 -8.74 32.29 2 0 16.36 -999 ? O2' ADN B 502 >LYS~B 45 16.41 -7.02 29.36 11.25 -7.62 30.68 13.83 -7.32 30.02 2 0 14.22 -999 ? O2' ADN B 502 >ALA~B 46 16.23 -5.36 25.96 16.64 -3.92 25.67 16.43 -4.64 25.81 2 0 9.00 -999 ? O3' ADN B 502 >SER~B 47 19.06 -7.53 24.60 20.51 -8.35 26.40 19.79 -7.94 25.50 2 0 14.10 -999 ? O3' ADN B 502 >HIS~B 48 18.02 -11.64 27.71 19.68 -12.46 28.70 18.85 -12.05 28.20 3 0 17.35 -999 ? O2' ADN B 502 >VAL~B 49 13.82 -9.51 24.19 12.25 -8.24 24.99 13.04 -8.87 24.59 3 0 14.34 -999 ? O3' ADN B 502 >LEU~B 50 16.76 -7.47 20.90 17.44 -6.38 19.15 17.10 -6.92 20.03 3 0 13.19 -999 ? O3' ADN B 502 >TYR~B 51 18.28 -13.87 20.75 18.48 -16.58 20.07 18.38 -15.23 20.41 3 0 21.01 -999 ? O3' ADN B 502 >ARG~B 52 13.94 -14.81 24.72 14.93 -16.17 27.29 14.43 -15.49 26.01 2 0 21.37 -999 ? O3' ADN B 502 >ALA~B 53 11.76 -11.52 18.89 11.41 -10.07 19.20 11.58 -10.79 19.04 2 0 17.08 -999 ? O3' ADN B 502 >SER~B 54 14.19 -11.38 15.96 16.39 -12.06 16.75 15.29 -11.72 16.35 2 0 19.21 -999 ? O3' ADN B 502 >LEU~B 55 13.85 -16.16 16.69 15.52 -16.97 17.79 14.68 -16.57 17.24 3 0 23.19 -999 ? O3' ADN B 502 >ASP~B 56 9.18 -14.59 15.18 9.03 -16.32 16.37 9.11 -15.46 15.77 2 0 24.34 -999 ? O3' ADN B 502 >PHE~B 57 11.17 -9.59 13.14 9.41 -7.78 14.35 10.29 -8.68 13.75 3 0 19.02 -999 ? O3' ADN B 502 >PRO~B 58 10.82 -10.89 7.71 12.07 -12.27 8.92 11.44 -11.58 8.32 3 0 24.37 -999 ? O3' ADN B 502 >PRO~B 59 15.50 -13.61 5.47 15.27 -12.17 7.15 15.39 -12.89 6.31 3 0 26.26 -999 ? O3' ADN B 502 >SER~B 60 16.62 -8.31 5.84 16.91 -9.11 3.56 16.77 -8.71 4.70 2 0 26.08 -999 ? O3' ADN B 502 >THR~B 61 14.49 -7.09 8.75 12.98 -7.88 10.09 13.74 -7.49 9.42 2 0 20.35 -999 ? O3' ADN B 502 >VAL^B 62 15.66 -3.72 10.03 16.22 -1.99 8.82 15.94 -2.85 9.42 3 0 17.87 -999 ? O3' ADN B 502 >PHE^B 63 15.55 -6.07 14.44 14.36 -8.55 13.94 14.95 -7.31 14.19 3 0 16.78 -999 ? O3' ADN B 502 >LEU^B 64 14.27 0.82 15.07 14.47 2.97 15.20 14.37 1.90 15.14 3 0 10.95 -999 ? O3' ADN B 502 >VAL^B 65 16.56 -0.82 19.07 17.34 -2.76 19.65 16.95 -1.79 19.36 3 0 9.19 -999 ? O3' ADN B 502 >VAL^B 66 16.67 2.23 21.32 16.58 4.13 20.25 16.63 3.18 20.79 3 0 -5.03 -999 ? O3' ADN B 502s >VAL~B 67 17.30 1.84 25.06 16.73 0.14 26.30 17.01 0.99 25.68 3 0 -4.15 -999 ? O3' ADN B 502s >ASP~B 68 20.03 5.18 23.72 21.76 6.33 23.42 20.89 5.75 23.57 2 0 -5.57 -999 ? C4' ADN B 502s >TYR~B 69 21.92 4.42 29.92 24.06 2.61 29.96 22.99 3.51 29.94 3 0 -6.25 -999 ? N3 ADN B 502s >GLY~B 70 24.03 7.26 27.18 23.32 7.40 26.77 23.67 7.33 26.98 1 0 6.23 -999 ? N3 ADN B 502 >VAL~B 71 22.25 9.34 24.55 20.31 10.32 24.53 21.28 9.83 24.54 3 0 4.66 -999 ? O5' ADN B 502 >GLY~B 72 24.18 12.52 23.83 24.57 11.85 24.01 24.38 12.18 23.92 1 0 8.15 -999 ? O5' ADN B 502 >THR~B 73 27.48 11.16 25.14 26.98 9.76 26.69 27.23 10.46 25.91 2 0 9.15 -999 ? N3 ADN B 502 >SER~B 74 30.60 9.89 23.40 32.11 8.90 25.04 31.35 9.39 24.22 2 0 14.39 -999 ? N3 ADN B 502 >ARG~B 75 25.57 5.74 22.78 24.23 7.90 21.07 24.90 6.82 21.92 2 0 8.09 -999 ? O5' ADN B 502 >LYS~B 76 28.74 5.36 19.52 34.53 3.01 18.54 31.64 4.19 19.03 2 0 19.57 -999 ? O5' ADN B 502 >ALA^B 77 25.59 5.17 17.41 24.91 6.41 16.87 25.25 5.79 17.14 2 0 11.07 -999 ? O5' ADN B 502 >ILE^B 78 26.92 1.09 15.78 27.59 0.49 16.96 27.26 0.79 16.37 3 0 14.86 -999 ? O3' ADN B 502 >VAL^B 79 24.32 -0.21 12.65 23.26 0.58 10.92 23.79 0.18 11.78 3 0 16.33 -999 ? O3' ADN B 502 >MET?B 80 25.09 -3.91 12.81 25.67 -6.75 15.93 25.38 -5.33 14.37 2 0 17.84 -999 ? O3' ADN B 502 >LYS^B 81 24.60 -6.70 10.28 24.70 -9.76 5.87 24.65 -8.23 8.07 2 0 25.96 -999 ? O3' ADN B 502 >THR^B 82 24.54 -10.25 11.65 22.93 -10.21 13.09 23.74 -10.23 12.37 2 0 20.74 -999 ? O3' ADN B 502 >LYS~B 83 25.21 -13.56 9.88 30.27 -15.04 10.94 27.74 -14.30 10.41 2 0 28.46 -999 ? O3' ADN B 502 >ASN~B 84 20.56 -14.63 10.61 19.85 -13.00 11.77 20.20 -13.82 11.19 2 0 22.94 -999 ? O3' ADN B 502 >ASP~B 85 20.48 -11.72 5.98 21.78 -12.93 4.81 21.13 -12.33 5.40 2 0 27.92 -999 ? O3' ADN B 502 >GLN~B 86 17.70 -10.81 10.80 16.56 -11.48 12.47 17.13 -11.14 11.63 2 0 21.02 -999 ? O3' ADN B 502 >TYR^B 87 20.56 -4.98 8.10 21.54 -5.96 5.66 21.05 -5.47 6.88 3 0 21.87 -999 ? O3' ADN B 502 >PHE^B 88 20.41 -5.88 15.10 19.28 -8.44 15.14 19.85 -7.16 15.12 3 0 16.40 -999 ? O3' ADN B 502 >VAL^B 89 20.28 0.15 14.28 19.48 1.54 12.81 19.88 0.85 13.54 3 0 13.13 -999 ? O3' ADN B 502 >ALA^B 90 21.11 0.98 17.89 20.81 -0.33 18.61 20.96 0.32 18.25 2 0 9.81 -999 ? O3' ADN B 502 >PRO^B 91 21.76 2.32 22.01 22.90 2.26 20.10 22.33 2.29 21.05 3 0 7.97 -999 ? O3' ADN B 502 >ASP~B 92 28.12 1.34 20.51 29.70 -0.02 20.82 28.91 0.66 20.66 2 0 15.08 -999 ? O3' ADN B 502 >ASN~B 93 24.82 0.88 25.42 22.88 0.49 24.61 23.85 0.68 25.01 2 0 8.07 -999 ? O3' ADN B 502 >GLY~B 94 25.63 -3.71 24.62 24.99 -3.30 24.35 25.31 -3.50 24.49 1 0 12.85 -999 ? O3' ADN B 502 >VAL~B 95 21.94 -3.96 23.80 20.37 -2.79 22.83 21.15 -3.37 23.32 3 0 9.97 -999 ? O3' ADN B 502 >LEU~B 96 23.62 -5.25 19.49 22.57 -3.97 18.11 23.10 -4.61 18.80 3 0 13.57 -999 ? O3' ADN B 502 >THR~B 97 24.94 -8.38 22.85 25.67 -8.44 24.90 25.31 -8.41 23.88 2 0 16.46 -999 ? O3' ADN B 502 >VAL~B 98 22.73 -11.46 22.44 21.20 -12.22 23.78 21.97 -11.84 23.11 3 0 17.99 -999 ? O3' ADN B 502 >VAL~B 99 21.88 -11.26 18.74 20.60 -9.53 18.34 21.24 -10.39 18.54 3 0 17.64 -999 ? O3' ADN B 502 >ALA~B 100 25.48 -10.51 17.80 26.29 -9.30 18.26 25.89 -9.91 18.03 2 0 18.93 -999 ? O3' ADN B 502 >GLU~B 101 27.25 -14.78 21.87 27.72 -14.48 23.90 27.49 -14.63 22.89 2 0 22.70 -999 ? O3' ADN B 502 >GLU~B 102 21.97 -16.00 20.48 22.61 -17.84 21.29 22.29 -16.92 20.89 2 0 24.13 -999 ? O3' ADN B 502 >TYR~B 103 21.52 -13.96 14.75 18.79 -14.07 15.41 20.15 -14.01 15.08 3 0 22.06 -999 ? O3' ADN B 502 >GLY~B 104 27.44 -13.77 14.76 26.78 -13.24 14.59 27.11 -13.51 14.68 1 0 24.36 -999 ? O3' ADN B 502 >VAL^B 105 28.67 -10.40 13.52 29.29 -8.67 14.69 28.98 -9.54 14.10 3 0 22.43 -999 ? O3' ADN B 502 >ALA^B 106 28.99 -9.87 9.78 27.81 -10.15 8.86 28.40 -10.01 9.32 2 0 25.28 -999 ? O3' ADN B 502 >GLU^B 107 29.10 -4.20 7.74 31.13 -3.76 7.35 30.11 -3.98 7.54 2 0 25.01 -999 ? O3' ADN B 502 >ILE^B 108 30.29 -3.44 13.23 30.32 -3.72 14.65 30.31 -3.58 13.94 3 0 20.09 -999 ? O3' ADN B 502 >ARG^B 109 29.78 0.51 7.46 31.18 0.32 4.74 30.48 0.41 6.10 2 0 25.51 -999 ? O5' ADN B 502 >GLU^B 110 30.31 5.49 14.23 32.07 6.14 15.21 31.19 5.81 14.72 2 0 17.84 -999 ? O5' ADN B 502 >ILE~B 111 25.16 6.30 12.78 23.71 6.11 12.87 24.43 6.20 12.82 3 0 13.73 -999 ? O5' ADN B 502 >GLU~B 112 30.43 7.78 11.19 32.47 7.41 10.77 31.45 7.60 10.98 2 0 20.50 -999 ? O5' ADN B 502 >ASN~B 113 26.03 9.31 6.32 25.63 10.34 4.50 25.83 9.83 5.41 2 0 21.26 -999 ? O5' ADN B 502 >ARG~B 114 26.84 14.48 10.58 26.79 17.50 11.07 26.81 15.99 10.82 2 0 18.21 -999 ? O5' ADN B 502 >GLU~B 115 24.32 13.60 3.60 23.79 15.65 3.55 24.06 14.63 3.58 2 0 22.37 -999 ? O5' ADN B 502 >LEU~B 116 21.09 8.90 7.15 21.98 7.49 5.79 21.53 8.19 6.47 3 0 17.99 -999 ? O5' ADN B 502 >PHE~B 117 21.64 12.61 11.19 23.83 11.39 12.44 22.74 12.00 11.82 3 0 13.67 -999 ? O5' ADN B 502 >TYR~B 118 13.84 13.88 11.72 11.59 15.48 12.20 12.72 14.68 11.96 3 0 13.62 -999 ? O5' ADN B 502 >LYS~B 119 17.29 16.87 11.85 14.95 18.57 16.94 16.12 17.72 14.40 2 0 11.71 -999 ? O5' ADN B 502 >LYS~B 120 20.08 19.10 10.54 19.46 24.13 7.46 19.77 21.61 9.00 2 0 22.27 -999 ? O5' ADN B 502 >ASN~B 121 21.57 20.83 14.58 23.26 21.00 15.86 22.42 20.92 15.22 2 0 15.63 -999 ? O5' ADN B 502 >PRO~B 122 22.03 15.52 15.74 20.31 16.94 15.83 21.17 16.23 15.78 3 0 11.52 -999 ? O5' ADN B 502 >SER~B 123 18.78 16.87 19.91 17.19 15.06 20.29 17.98 15.96 20.10 2 0 6.82 -999 ? O5' ADN B 502 >PHE~B 124 21.90 18.35 23.51 22.94 20.81 22.68 22.42 19.58 23.10 3 0 11.84 -999 ? O5' ADN B 502 >THR~B 125 18.69 13.45 24.39 18.11 14.61 26.11 18.40 14.03 25.25 2 0 -6.04 -999 ? O5' ADN B 502s >PHE~B 126 14.00 11.87 21.11 11.81 10.25 20.46 12.91 11.06 20.79 3 0 -5.19 -999 ? O5' ADN B 502s >HIS~B 127 21.16 10.93 19.65 22.69 12.29 20.10 21.92 11.61 19.87 3 0 6.93 -999 ? O5' ADN B 502 >GLY~B 128 16.04 7.81 18.69 16.07 8.61 18.39 16.06 8.21 18.54 1 0 5.32 -999 ? O5' ADN B 502 >ARG~B 129 12.03 13.62 16.89 12.89 16.21 18.30 12.46 14.92 17.60 2 0 9.67 -999 ? O5' ADN B 502 >ASP~B 130 17.55 13.68 15.54 16.21 14.81 16.73 16.88 14.25 16.13 2 0 9.01 -999 ? O5' ADN B 502 >ILE~B 131 20.54 9.60 15.01 21.95 9.93 15.23 21.25 9.76 15.12 3 0 9.78 -999 ? O5' ADN B 502 >PHE~B 132 19.32 5.32 16.97 21.65 5.23 18.54 20.48 5.28 17.76 3 0 8.12 -999 ? O5' ADN B 502 >ALA~B 133 14.71 6.24 13.46 13.61 7.13 14.03 14.16 6.68 13.75 2 0 10.44 -999 ? O5' ADN B 502 >PRO~B 134 16.76 9.59 11.64 15.48 7.91 10.93 16.12 8.75 11.28 3 0 12.52 -999 ? O5' ADN B 502 >VAL~B 135 18.57 5.79 9.60 20.65 5.65 10.25 19.61 5.72 9.92 3 0 14.58 -999 ? O5' ADN B 502 >ALA~B 136 16.42 2.72 10.28 15.68 2.46 11.58 16.05 2.59 10.93 2 0 13.94 -999 ? C5' ADN B 502 >ALA~B 137 13.95 4.09 7.74 13.26 5.44 7.84 13.60 4.76 7.79 2 0 16.74 -999 ? O5' ADN B 502 >HIS~B 138 17.50 6.90 4.90 16.97 8.88 4.43 17.23 7.89 4.66 3 0 19.17 -999 ? O5' ADN B 502 >LEU~B 139 18.81 0.56 6.77 20.92 0.68 7.20 19.86 0.62 6.98 3 0 19.13 -999 ? O5' ADN B 502 >ASP~B 140 13.51 0.02 6.22 11.76 -1.09 5.84 12.64 -0.53 6.03 2 0 21.03 -999 ? O3' ADN B 502 >MET?B 141 14.20 1.02 1.89 12.60 4.91 1.41 13.40 2.96 1.65 2 0 23.15 -999 ? O5' ADN B 502 >GLY~B 142 17.38 -0.58 0.62 17.53 0.12 1.00 17.46 -0.23 0.81 1 0 25.15 -999 ? O5' ADN B 502 >LEU~B 143 20.00 3.04 2.52 21.30 4.75 2.72 20.65 3.90 2.62 3 0 22.16 -999 ? O5' ADN B 502 >PRO~B 144 23.53 1.43 -1.09 22.97 0.88 0.99 23.25 1.15 -0.05 3 0 25.99 -999 ? O5' ADN B 502 >LEU~B 145 25.42 -1.76 4.94 25.48 -2.38 7.01 25.45 -2.07 5.97 3 0 22.67 -999 ? O3' ADN B 502 >GLU~B 146 29.28 -0.20 1.58 27.55 -1.29 1.06 28.41 -0.74 1.32 2 0 27.27 -999 ? O5' ADN B 502 >ARG~B 147 24.57 5.46 -0.30 25.82 8.27 -0.15 25.20 6.86 -0.22 2 0 25.61 -999 ? O5' ADN B 502 >VAL~B 148 25.96 4.75 6.84 24.93 3.34 8.14 25.45 4.05 7.49 3 0 19.19 -999 ? O5' ADN B 502 >GLY~B 149 29.57 5.37 7.78 29.52 4.61 7.38 29.54 4.99 7.58 1 0 20.88 -999 ? O5' ADN B 502 >ASP~B 150 34.14 4.16 8.53 34.61 5.76 7.24 34.37 4.96 7.89 2 0 24.60 -999 ? O5' ADN B 502 >ARG~B 151 34.11 -2.69 6.70 34.09 -4.56 4.27 34.10 -3.62 5.48 2 0 29.29 -999 ? O3' ADN B 502 >LEU~B 152 33.21 -0.16 13.96 33.54 0.34 16.03 33.38 0.09 15.00 3 0 20.64 -999 ? O3' ADN B 502 >LEU~B 153 37.57 -4.19 13.88 39.33 -2.94 14.00 38.45 -3.57 13.94 3 0 26.42 -999 ? O3' ADN B 502 >SER~B 154 34.57 -3.87 17.75 35.94 -1.92 18.26 35.26 -2.90 18.01 2 0 22.06 -999 ? O3' ADN B 502 >TYR~B 155 30.10 -5.29 19.28 29.75 -8.05 19.58 29.92 -6.67 19.43 3 0 18.97 -999 ? O3' ADN B 502 >GLU~B 156 30.39 -1.24 25.51 32.45 -0.72 25.47 31.42 -0.98 25.49 2 0 16.89 -999 ? O2' ADN B 502 >VAL~B 157 29.48 -6.20 25.10 30.29 -8.08 24.36 29.88 -7.14 24.73 3 0 18.25 -999 ? O2' ADN B 502 >LEU~B 158 25.76 -6.81 28.11 24.49 -5.08 27.80 25.13 -5.95 27.95 3 0 13.88 -999 ? O2' ADN B 502 >LYS~B 159 28.53 -9.39 30.69 32.18 -12.85 32.40 30.36 -11.12 31.54 2 0 24.08 -999 ? O2' ADN B 502 >MET?B 160 26.58 -12.63 30.66 23.36 -11.79 28.14 24.97 -12.21 29.40 2 0 18.18 -999 ? O2' ADN B 502 >ARG~B 161 28.31 -17.62 35.70 27.05 -15.06 36.83 27.68 -16.34 36.26 2 0 24.32 -999 ? O2' ADN B 502 >LYS~B 162 26.54 -18.80 30.04 27.84 -23.70 26.26 27.19 -21.25 28.15 2 0 30.96 -999 ? O2' ADN B 502 >PRO~B 163 22.83 -21.11 29.89 24.50 -20.80 31.32 23.67 -20.95 30.60 3 0 27.14 -999 ? O2' ADN B 502 >VAL^B 164 25.67 -24.65 32.76 26.64 -24.36 34.70 26.15 -24.50 33.73 3 0 31.63 -999 ? O2' ADN B 502 >VAL^B 165 23.76 -27.74 31.65 22.15 -27.42 30.20 22.95 -27.58 30.92 3 0 33.46 -999 ? O2' ADN B 502 >GLU~B 166 27.57 -29.82 32.90 28.05 -30.37 30.91 27.81 -30.09 31.91 2 0 37.04 -999 ? O5' ADN C 503 >ASN~B 167 24.90 -35.71 33.80 26.92 -35.65 34.46 25.91 -35.68 34.13 2 0 39.51 -999 ? O5' ADN C 503 >GLU~B 168 26.22 -32.07 37.84 25.59 -30.06 37.76 25.90 -31.06 37.80 2 0 37.60 -999 ? O2' ADN B 502 >LYS^B 169 22.38 -29.70 37.90 23.25 -30.16 43.31 22.82 -29.93 40.61 2 0 39.04 -999 ? O2' ADN B 502 >VAL^B 170 21.62 -26.90 35.48 19.86 -26.51 34.26 20.74 -26.71 34.87 3 0 32.85 -999 ? O2' ADN B 502 >ILE^B 171 23.45 -23.04 37.44 22.98 -23.43 38.74 23.21 -23.24 38.09 3 0 30.81 -999 ? O2' ADN B 502 >GLY^B 172 20.94 -20.13 34.93 20.72 -20.12 35.75 20.83 -20.13 35.34 1 0 26.56 -999 ? O2' ADN B 502 >GLU^B 173 20.81 -15.24 34.29 22.36 -13.81 34.53 21.59 -14.52 34.41 2 0 20.82 -999 ? O2' ADN B 502 >VAL^B 174 15.73 -15.47 34.87 13.97 -15.26 36.10 14.85 -15.37 35.48 3 0 21.95 -999 ? O2' ADN B 502 >ALA^B 175 15.82 -13.62 31.56 16.08 -14.32 30.23 15.95 -13.97 30.89 2 0 19.64 -999 ? O2' ADN B 502 >ILE^B 176 11.77 -12.28 29.85 12.21 -11.97 29.15 11.99 -12.13 29.50 3 0 18.04 -999 ? O2' ADN B 502 >VAL^B 177 9.08 -12.51 33.49 9.00 -12.38 35.65 9.04 -12.44 34.57 3 0 20.35 -999 ? O2' ADN B 502 >ASP~B 178 5.68 -13.01 30.10 4.55 -14.67 30.75 5.12 -13.84 30.42 2 0 23.51 -999 ? O2' ADN B 502 >THR~B 179 2.61 -10.51 31.81 1.40 -9.23 30.56 2.01 -9.87 31.19 2 0 21.27 -999 ? O3' ADN B 502 >PHE~B 180 0.45 -14.84 30.92 -0.91 -14.21 28.55 -0.23 -14.53 29.74 3 0 -25.99 -999 ? O3' ADN B 502s >GLY~B 181 4.23 -14.10 35.52 4.24 -14.58 34.82 4.23 -14.34 35.17 1 0 24.23 -999 ? O2' ADN B 502 >ASN~B 182 5.59 -17.35 32.23 3.56 -17.98 32.02 4.57 -17.67 32.12 2 0 -26.99 -999 ? O2' ADN B 502s >VAL^B 183 9.60 -17.27 34.53 10.28 -17.30 36.58 9.94 -17.29 35.56 3 0 24.68 -999 ? O2' ADN B 502 >SER^B 184 11.65 -17.77 31.38 11.97 -17.65 28.98 11.81 -17.71 30.18 2 0 23.36 -999 ? O2' ADN B 502 >THR^B 185 15.34 -18.45 31.89 15.43 -20.41 32.77 15.38 -19.43 32.33 2 0 26.07 -999 ? O2' ADN B 502 >ASN^B 186 19.57 -17.44 30.07 20.86 -18.22 31.57 20.21 -17.83 30.82 2 0 24.01 -999 ? O2' ADN B 502 >ILE^B 187 18.26 -23.00 31.02 18.58 -23.76 32.19 18.42 -23.38 31.60 3 0 28.83 -999 ? O2' ADN B 502 >PRO^B 188 20.18 -22.97 25.80 18.38 -23.51 26.97 19.28 -23.24 26.38 3 0 28.48 -999 ? O3' ADN B 502 >PHE~B 189 12.99 -27.23 27.44 11.40 -29.04 28.85 12.20 -28.13 28.14 3 0 33.56 -999 ? O3' ADN B 502 >ASP~B 190 17.18 -28.46 23.02 15.47 -28.23 21.79 16.32 -28.34 22.41 2 0 33.51 -999 ? O3' ADN B 502 >LEU~B 191 21.03 -27.52 26.47 23.06 -27.36 25.72 22.05 -27.44 26.09 3 0 33.03 -999 ? O3' ADN B 502 >PHE~B 192 16.34 -29.02 31.13 14.79 -30.10 33.19 15.57 -29.56 32.16 3 0 35.01 -999 ? O2' ADN B 502 >LEU~B 193 14.92 -32.33 27.51 14.73 -32.12 25.37 14.82 -32.22 26.44 3 0 37.34 -999 ? O3' ADN B 502 >LYS~B 194 19.34 -33.57 26.65 24.00 -31.14 27.97 21.67 -32.36 27.31 2 0 36.14 -999 ? O5' ADN C 503 >LEU~B 195 20.28 -34.04 31.35 21.90 -32.77 30.69 21.09 -33.40 31.02 3 0 38.94 -999 ? O2' ADN B 502 >SER~B 196 18.58 -37.89 31.92 19.69 -37.97 34.08 19.14 -37.93 33.00 2 0 42.31 -999 ? O5' ADN C 503 >VAL~B 197 15.36 -35.89 32.35 15.00 -33.74 32.38 15.18 -34.82 32.37 3 0 40.27 -999 ? O2' ADN B 502 >ASP~B 198 11.90 -37.99 30.28 10.30 -38.39 28.97 11.10 -38.19 29.62 2 0 44.01 -999 ? O3' ADN B 502 >PHE~B 199 8.16 -34.00 28.15 9.09 -32.00 26.43 8.63 -33.00 27.29 3 0 38.88 -999 ? O3' ADN B 502 >ASP~B 200 5.67 -37.54 32.69 4.41 -37.36 31.00 5.04 -37.45 31.85 2 0 44.41 -999 ? O3' ADN B 502 >ASP~B 201 10.66 -36.49 35.05 11.16 -38.36 34.23 10.91 -37.43 34.64 2 0 44.35 -999 ? O2' ADN B 502 >VAL^B 202 8.98 -34.36 38.68 7.55 -34.50 40.32 8.27 -34.43 39.50 3 0 42.12 -999 ? O2' ADN B 502 >VAL^B 203 12.02 -32.15 39.19 12.33 -31.41 37.17 12.17 -31.78 38.18 3 0 38.61 -999 ? O2' ADN B 502 >ARG^B 204 14.95 -32.31 44.36 17.98 -32.82 44.49 16.47 -32.57 44.43 2 0 41.43 -999 ? O2' ADN B 502 >VAL^B 205 13.44 -26.08 41.32 12.18 -24.96 39.96 12.81 -25.52 40.64 3 0 33.43 -999 ? O2' ADN B 502 >ARG^B 206 16.98 -26.13 45.87 18.68 -28.64 46.37 17.83 -27.39 46.12 2 0 38.52 -999 ? O2' ADN B 502 >VAL^B 207 15.54 -20.43 44.09 13.45 -20.23 43.47 14.50 -20.33 43.78 3 0 30.08 -999 ? O2' ADN B 502 >GLY~B 208 17.78 -19.19 46.86 17.51 -19.99 46.69 17.64 -19.59 46.77 1 0 30.81 -999 ? O2' ADN B 502 >ARG~B 209 18.48 -19.24 53.09 16.72 -17.31 54.69 17.60 -18.28 53.89 2 0 34.67 -999 ? N1 ADN B 502 >LYS^B 210 13.84 -22.67 48.97 9.98 -17.72 47.98 11.91 -20.20 48.48 2 0 31.14 -999 ? O2' ADN B 502 >GLU^B 211 13.48 -28.17 46.38 14.65 -29.84 46.91 14.06 -29.00 46.64 2 0 39.85 -999 ? O2' ADN B 502 >PHE^B 212 9.19 -24.01 44.61 8.82 -21.53 45.87 9.01 -22.77 45.24 3 0 33.75 -999 ? O2' ADN B 502 >LYS^B 213 8.92 -29.60 42.92 10.60 -32.17 47.25 9.76 -30.89 45.08 2 0 42.47 -999 ? O2' ADN B 502 >ALA^B 214 7.68 -29.03 39.37 8.18 -27.75 38.72 7.93 -28.39 39.05 2 0 35.69 -999 ? O2' ADN B 502 >ALA^B 215 6.57 -31.54 36.74 5.16 -32.11 36.69 5.86 -31.83 36.71 2 0 40.03 -999 ? O2' ADN B 502 >VAL^B 216 8.26 -31.43 33.33 10.27 -32.03 32.78 9.27 -31.73 33.05 3 0 38.01 -999 ? O2' ADN B 502 >ALA~B 217 5.30 -30.69 31.07 4.07 -30.10 31.73 4.68 -30.39 31.40 2 0 37.70 -999 ? O2' ADN B 502 >LYS~B 218 4.60 -29.46 27.55 5.10 -34.81 24.17 4.85 -32.13 25.86 2 0 41.44 -999 ? O3' ADN B 502 >ALA~B 219 1.45 -27.39 27.99 0.23 -27.78 27.17 0.84 -27.58 27.58 2 0 36.60 -999 ? O3' ADN B 502 >PHE~B 220 0.51 -23.02 30.29 2.22 -21.14 29.13 1.37 -22.08 29.71 3 0 -31.27 -999 ? O3' ADN B 502s >GLY~B 221 -2.89 -27.68 31.12 -2.15 -27.95 31.05 -2.52 -27.81 31.09 1 0 38.37 -999 ? O3' ADN B 502 >ASP~B 222 0.65 -30.97 30.93 0.50 -31.16 28.83 0.58 -31.07 29.88 2 0 39.66 -999 ? O3' ADN B 502 >VAL~B 223 -0.72 -30.18 35.34 1.12 -29.03 35.59 0.20 -29.61 35.46 3 0 39.28 -999 ? O2' ADN B 502 >ASP~B 224 -3.94 -29.94 38.98 -4.14 -32.04 38.83 -4.04 -30.99 38.90 2 0 44.07 -999 ? O2' ADN B 502 >THR~B 225 -4.60 -25.66 38.16 -6.42 -24.82 38.95 -5.51 -25.24 38.56 2 0 39.50 -999 ? O2' ADN B 502 >GLY~B 226 -2.22 -23.76 40.42 -1.95 -24.37 39.97 -2.08 -24.07 40.20 1 0 36.80 -999 ? O2' ADN B 502 >GLU~B 227 -0.63 -28.42 40.60 0.05 -28.34 42.60 -0.29 -28.38 41.60 2 0 40.22 -999 ? O2' ADN B 502 >LEU^B 228 5.37 -25.58 39.83 6.23 -23.94 40.92 5.80 -24.76 40.38 3 0 34.22 -999 ? O2' ADN B 502 >LEU^B 229 4.54 -27.05 34.77 3.51 -25.71 33.45 4.02 -26.38 34.11 3 0 34.60 -999 ? O2' ADN B 502 >VAL^B 230 8.93 -26.87 33.66 10.84 -27.25 34.61 9.88 -27.06 34.14 3 0 33.55 -999 ? O2' ADN B 502 >HIS^B 231 6.61 -25.02 29.50 5.96 -23.05 29.21 6.28 -24.03 29.35 3 0 31.02 -999 ? O3' ADN B 502 >PRO^B 232 9.36 -26.74 25.58 9.76 -25.37 27.29 9.56 -26.05 26.43 3 0 31.86 -999 ? O3' ADN B 502 >ASP~B 233 9.19 -20.17 26.48 11.12 -19.56 25.89 10.16 -19.86 26.18 2 0 25.17 -999 ? O3' ADN B 502 >SER~B 234 7.97 -20.34 22.32 7.30 -18.00 22.33 7.64 -19.17 22.32 2 0 24.96 -999 ? O3' ADN B 502 >ALA~B 235 11.65 -19.39 22.11 12.13 -18.17 22.89 11.89 -18.78 22.50 2 0 23.74 -999 ? O3' ADN B 502 >GLY~B 236 13.08 -22.75 23.10 13.01 -22.17 23.67 13.04 -22.46 23.38 1 0 28.11 -999 ? O3' ADN B 502 >PHE^B 237 15.42 -19.43 26.07 17.42 -18.21 24.53 16.42 -18.82 25.30 3 0 23.89 -999 ? O3' ADN B 502 >LEU^B 238 14.48 -24.06 30.70 14.24 -25.01 32.62 14.36 -24.53 31.66 3 0 30.04 -999 ? O2' ADN B 502 >GLU^B 239 8.55 -20.05 31.07 7.22 -19.27 29.62 7.89 -19.66 30.34 2 0 26.31 -999 ? O3' ADN B 502 >ILE^B 240 9.63 -21.93 36.25 10.43 -22.06 36.64 10.03 -21.99 36.45 3 0 29.25 -999 ? O2' ADN B 502 >ALA^B 241 5.23 -21.53 35.06 4.67 -21.48 33.64 4.95 -21.50 34.35 2 0 29.84 -999 ? O2' ADN B 502 >VAL^B 242 2.10 -22.06 37.13 1.87 -21.44 39.20 1.98 -21.75 38.16 3 0 -32.39 -999 ? O2' ADN B 502s >ASN~B 243 -1.42 -24.86 35.31 -3.25 -25.17 34.29 -2.34 -25.01 34.80 2 0 36.93 -999 ? O2' ADN B 502 >LEU~B 244 -4.80 -21.27 35.72 -6.38 -21.55 34.28 -5.59 -21.41 35.00 3 0 -35.48 -999 ? O2' ADN B 502s >GLY~B 245 -1.22 -18.74 37.95 -0.88 -18.66 37.21 -1.05 -18.70 37.58 1 0 31.57 -999 ? O2' ADN B 502 >ASP~B 246 1.57 -15.18 39.14 3.06 -13.77 38.66 2.31 -14.48 38.90 2 0 25.73 -999 ? O2' ADN B 502 >ALA~B 247 5.21 -18.31 38.67 5.95 -18.92 37.49 5.58 -18.62 38.08 2 0 28.09 -999 ? O2' ADN B 502 >SER~B 248 7.10 -15.10 39.51 5.79 -13.17 38.73 6.44 -14.14 39.12 2 0 23.95 -999 ? O2' ADN B 502 >GLN~B 249 3.17 -12.98 41.73 1.23 -12.12 42.02 2.20 -12.55 41.88 2 0 27.18 -999 ? O2' ADN B 502 >VAL~B 250 4.86 -18.31 43.69 3.77 -20.14 43.16 4.32 -19.22 43.42 3 0 31.45 -999 ? O2' ADN B 502 >LEU~B 251 9.40 -18.95 42.08 9.36 -20.78 40.95 9.38 -19.86 41.52 3 0 29.41 -999 ? O2' ADN B 502 >SER~B 252 9.08 -15.05 44.37 9.41 -13.85 46.46 9.24 -14.45 45.42 2 0 27.51 -999 ? O2' ADN B 502 >VAL~B 253 11.85 -14.34 41.86 12.03 -16.30 40.92 11.94 -15.32 41.39 3 0 24.96 -999 ? O2' ADN B 502 >LYS~B 254 12.72 -11.49 39.53 15.89 -9.87 43.54 14.31 -10.68 41.54 2 0 21.64 -999 ? O2' ADN B 502 >GLU~B 255 12.93 -10.15 34.70 12.39 -8.60 33.36 12.66 -9.38 34.03 2 0 15.43 -999 ? O2' ADN B 502 >GLY~B 256 18.39 -11.60 36.92 17.83 -12.14 37.24 18.11 -11.87 37.08 1 0 19.05 -999 ? O2' ADN B 502 >ASP~B 257 16.35 -14.22 40.48 15.83 -12.69 41.84 16.09 -13.45 41.16 2 0 22.61 -999 ? O2' ADN B 502 >GLU^B 258 21.42 -18.91 40.42 23.26 -19.21 41.40 22.34 -19.06 40.91 2 0 28.55 -999 ? O2' ADN B 502 >ILE^B 259 16.53 -20.38 38.13 15.06 -20.40 37.82 15.80 -20.39 37.98 3 0 27.46 -999 ? O2' ADN B 502 >GLU^B 260 20.31 -25.65 40.96 21.80 -25.86 42.45 21.05 -25.76 41.70 2 0 34.59 -999 ? O2' ADN B 502 >ILE^B 261 16.51 -27.19 37.12 15.34 -27.03 36.26 15.92 -27.11 36.69 3 0 33.44 -999 ? O2' ADN B 502 >CYH^B 262 18.06 -30.61 39.90 19.43 -29.03 41.79 18.75 -29.82 40.84 2 0 36.97 -999 ? O2' ADN B 502 >ARG~B 263 19.10 -36.29 37.21 21.24 -38.34 37.98 20.17 -37.31 37.60 2 0 44.86 -999 ? O5' ADN C 503 >MET?C 1 52.89 -26.82 14.47 50.15 -29.70 12.68 51.52 -28.26 13.57 2 0 19.82 -999 ? O5' ADN C 503 >ILE^C 2 55.64 -24.54 11.34 56.67 -23.56 11.44 56.16 -24.05 11.39 3 0 25.16 -999 ? C5' ADN C 503 >GLY^C 3 52.55 -25.44 7.95 53.19 -24.84 8.12 52.87 -25.14 8.04 1 0 20.73 -999 ? C5' ADN C 503 >PHE^C 4 57.91 -24.93 5.22 60.26 -23.60 4.46 59.08 -24.26 4.84 3 0 23.96 -999 ? C5' ADN C 503 >LEU^C 5 53.04 -23.48 1.66 51.69 -23.51 -0.04 52.37 -23.49 0.81 3 0 20.02 -999 ? C5' ADN C 503 >THR^C 6 56.86 -22.62 -0.96 58.71 -23.17 0.02 57.78 -22.89 -0.47 2 0 23.64 -999 ? C5' ADN C 503 >ASP~C 7 57.45 -21.44 -5.49 58.62 -19.68 -5.14 58.03 -20.56 -5.31 2 0 -26.08 -999 ? C8 ADN C 503s >TRP~C 8 61.17 -21.09 -2.10 62.14 -21.16 1.72 61.66 -21.13 -0.19 3 0 -27.08 -999 ? C5' ADN C 503s >GLY~C 9 61.32 -27.29 -4.74 61.53 -26.99 -3.95 61.42 -27.14 -4.35 1 0 22.30 -999 ? C3' ADN C 503 >LEU~C 10 62.12 -31.39 -2.42 60.70 -31.49 -0.78 61.41 -31.44 -1.60 3 0 19.88 -999 ? C3' ADN C 503 >LYS~C 11 65.87 -30.52 -5.13 70.78 -29.94 -7.25 68.32 -30.23 -6.19 2 0 28.79 -999 ? O3' ADN C 503 >SER~C 12 67.58 -27.40 -3.73 67.38 -25.60 -5.38 67.48 -26.50 -4.56 2 0 28.06 -999 ? C3' ADN C 503 >HIS~C 13 71.08 -25.75 -0.37 71.90 -24.01 -1.21 71.49 -24.88 -0.79 3 0 31.91 -999 ? O3' ADN C 503 >TYR~C 14 66.89 -22.79 -1.79 68.40 -21.90 -3.97 67.65 -22.35 -2.88 3 0 30.31 -999 ? C3' ADN C 503 >VAL~C 15 64.02 -25.91 2.19 62.25 -27.06 1.63 63.13 -26.49 1.91 3 0 24.75 -999 ? C5' ADN C 503 >GLY~C 16 66.56 -27.68 4.40 66.50 -26.88 4.28 66.53 -27.28 4.34 1 0 27.27 -999 ? O3' ADN C 503 >VAL~C 17 68.42 -24.56 5.54 69.58 -23.63 3.92 69.00 -24.09 4.73 3 0 31.34 -999 ? C5' ADN C 503 >ALA~C 18 65.07 -22.93 6.38 63.86 -22.74 5.45 64.46 -22.83 5.91 2 0 28.41 -999 ? C5' ADN C 503 >LYS~C 19 64.11 -25.94 8.53 60.93 -30.59 5.58 62.52 -28.26 7.05 2 0 21.67 -999 ? C5' ADN C 503 >ALA~C 20 67.54 -25.85 10.19 68.89 -25.96 9.47 68.21 -25.90 9.83 2 0 31.65 -999 ? C5' ADN C 503 >VAL~C 21 67.01 -22.19 11.10 67.16 -20.23 10.12 67.09 -21.21 10.61 3 0 33.32 -999 ? C5' ADN C 503 >ILE~C 22 62.38 -23.61 11.84 61.04 -23.60 11.33 61.71 -23.61 11.58 3 0 28.69 -999 ? C5' ADN C 503 >LYS~C 23 65.04 -25.88 14.58 61.71 -30.25 14.54 63.37 -28.07 14.56 2 0 26.84 -999 ? C5' ADN C 503 >ARG~C 24 70.66 -22.98 13.27 73.28 -21.40 13.22 71.97 -22.19 13.25 2 0 31.81 -999 ? O5' ADN A 501 >ILE~C 25 64.41 -20.34 16.44 63.91 -19.08 16.02 64.16 -19.71 16.23 3 0 30.79 -999 ? O5' ADN A 501 >ASN~C 26 61.63 -23.63 18.50 60.45 -24.88 19.79 61.04 -24.25 19.14 2 0 29.08 -999 ? O5' ADN A 501 >PRO~C 27 66.02 -26.86 19.96 64.17 -26.96 18.72 65.09 -26.91 19.34 3 0 27.75 -999 ? O5' ADN A 501 >SER~C 28 60.68 -28.69 19.41 60.95 -28.78 21.84 60.81 -28.73 20.63 2 0 27.62 -999 ? C5' ADN A 501 >ALA~C 29 59.02 -27.04 16.39 59.62 -25.94 15.49 59.32 -26.49 15.94 2 0 28.22 -999 ? C5' ADN C 503 >GLU~C 30 55.06 -31.24 14.19 56.41 -32.86 14.20 55.73 -32.05 14.20 2 0 22.27 -999 ? C5' ADN C 503 >ILE^C 31 58.72 -28.26 10.08 59.74 -27.36 9.71 59.23 -27.81 9.90 3 0 23.78 -999 ? C5' ADN C 503 >ILE^C 32 53.28 -30.30 8.80 53.31 -31.68 9.07 53.29 -30.99 8.94 3 0 17.85 -999 ? C5' ADN C 503 >ASP^C 33 56.42 -30.30 3.78 58.40 -30.01 4.47 57.41 -30.15 4.13 2 0 19.64 -999 ? C5' ADN C 503 >ILE^C 34 51.53 -27.26 2.87 50.40 -26.47 3.30 50.97 -26.86 3.09 3 0 16.97 -999 ? C5' ADN C 503 >THR^C 35 54.27 -28.55 -0.50 53.25 -28.11 -2.39 53.76 -28.33 -1.44 2 0 16.30 -999 ? C5' ADN C 503 >HIS~C 36 58.70 -27.27 0.20 58.59 -26.85 2.26 58.65 -27.06 1.23 3 0 20.90 -999 ? C5' ADN C 503 >GLU~C 37 56.95 -30.28 -5.40 58.98 -29.81 -5.71 57.96 -30.05 -5.55 2 0 18.95 -999 ? C3' ADN C 503 >VAL~C 38 54.23 -24.73 -6.24 53.06 -23.21 -5.19 53.65 -23.97 -5.72 3 0 19.70 -999 ? C8 ADN C 503 >GLU~C 39 53.74 -24.65 -11.56 52.25 -25.51 -10.34 53.00 -25.08 -10.95 2 0 17.70 -999 ? N7 ADN C 503 >PRO~C 40 59.27 -22.23 -10.63 57.46 -21.38 -9.65 58.36 -21.80 -10.14 3 0 24.28 -999 ? N7 ADN C 503 >PHE~C 41 58.13 -16.78 -10.20 60.76 -17.16 -11.07 59.45 -16.97 -10.64 3 0 -28.79 -999 ? N7 ADN C 503s >ASN~C 42 52.41 -20.22 -9.29 50.47 -20.26 -10.17 51.44 -20.24 -9.73 2 0 21.54 -999 ? N7 ADN C 503 >VAL~C 43 51.21 -17.02 -5.77 51.72 -14.89 -5.86 51.46 -15.96 -5.82 3 0 25.92 -999 ? N7 ADN C 503 >ARG~C 44 45.42 -17.05 -10.32 44.19 -14.30 -9.68 44.80 -15.67 -10.00 2 0 26.04 -999 ? N7 ADN C 503 >LYS~C 45 48.20 -21.41 -7.09 49.45 -26.31 -8.76 48.83 -23.86 -7.92 2 0 15.50 -999 ? N7 ADN C 503 >ALA~C 46 49.78 -21.09 -3.63 51.02 -20.27 -3.28 50.40 -20.68 -3.46 2 0 22.10 -999 ? C8 ADN C 503 >SER~C 47 46.83 -19.09 -2.29 45.48 -17.89 -3.99 46.16 -18.49 -3.14 2 0 22.89 -999 ? N7 ADN C 503 >HIS~C 48 43.20 -21.39 -5.30 41.81 -20.05 -6.11 42.50 -20.72 -5.71 3 0 19.67 -999 ? N7 ADN C 503 >VAL~C 49 46.70 -24.74 -1.92 48.41 -25.88 -2.74 47.55 -25.31 -2.33 3 0 16.48 -999 ? C5' ADN C 503 >LEU~C 50 47.69 -21.36 1.44 48.41 -20.48 3.28 48.05 -20.92 2.36 3 0 21.32 -999 ? C5' ADN C 503 >TYR~C 51 41.03 -21.96 1.62 38.42 -22.54 2.46 39.73 -22.25 2.04 3 0 19.49 -999 ? O5' ADN C 503 >ARG~C 52 41.87 -26.25 -2.66 40.15 -25.76 -5.16 41.01 -26.01 -3.91 2 0 15.00 -999 ? N7 ADN C 503 >ALA~C 53 45.41 -27.44 3.28 46.90 -27.32 2.97 46.16 -27.38 3.13 2 0 15.22 -999 ? C5' ADN C 503 >SER~C 54 44.71 -25.10 6.19 43.44 -23.14 5.45 44.07 -24.12 5.82 2 0 19.39 -999 ? O5' ADN C 503 >LEU~C 55 40.35 -27.10 5.38 39.03 -25.82 4.26 39.69 -26.46 4.82 3 0 16.28 -999 ? O5' ADN C 503 >ASP~C 56 43.34 -30.89 7.18 41.71 -31.58 6.03 42.53 -31.23 6.61 2 0 12.24 -999 ? O5' ADN C 503 >PHE~C 57 47.57 -27.48 9.09 49.70 -28.67 7.69 48.63 -28.08 8.39 3 0 17.56 -999 ? C5' ADN C 503 >PRO~C 58 46.34 -27.93 14.66 44.66 -27.38 13.31 45.50 -27.66 13.99 3 0 20.79 -999 ? O5' ADN C 503 >PRO~C 59 42.23 -24.62 16.76 43.60 -24.32 15.02 42.92 -24.47 15.89 3 0 24.13 -999 ? O5' ADN C 503 >SER~C 60 46.84 -21.82 16.30 46.16 -21.40 18.59 46.50 -21.61 17.45 2 0 28.45 -999 ? O5' ADN C 503 >THR~C 61 48.81 -23.39 13.47 48.54 -24.90 11.95 48.67 -24.14 12.71 2 0 22.00 -999 ? O5' ADN C 503 >VAL^C 62 51.53 -21.07 12.20 52.97 -19.88 13.35 52.25 -20.47 12.77 3 0 26.96 -999 ? C5' ADN C 503 >PHE^C 63 49.44 -21.95 7.78 47.36 -23.76 8.38 48.40 -22.86 8.08 3 0 21.55 -999 ? O5' ADN C 503 >LEU^C 64 56.39 -20.96 7.20 58.37 -20.13 7.04 57.38 -20.55 7.12 3 0 26.50 -999 ? C5' ADN C 503 >VAL^C 65 54.16 -19.27 3.21 52.01 -19.26 2.79 53.08 -19.27 3.00 3 0 24.49 -999 ? C5' ADN C 503 >VAL^C 66 56.99 -18.23 0.92 58.85 -17.76 1.98 57.92 -18.00 1.45 3 0 -27.53 -999 ? C5' ADN C 503s >VAL~C 67 56.28 -17.83 -2.82 54.81 -18.90 -4.01 55.55 -18.36 -3.42 3 0 -25.70 -999 ? C8 ADN C 503s >ASP~C 68 58.63 -14.33 -1.57 59.00 -12.36 -0.96 58.82 -13.35 -1.26 2 0 -32.77 -999 ? C5' ADN C 503s >TYR~C 69 56.98 -12.41 -7.57 54.64 -10.90 -7.34 55.81 -11.65 -7.45 3 0 -31.46 -999 ? N7 ADN C 503s >GLY~C 70 59.27 -9.74 -4.93 59.54 -10.37 -4.49 59.41 -10.05 -4.71 1 0 34.86 -999 ? N7 ADN C 503 >VAL~C 71 61.79 -10.71 -2.25 63.31 -12.30 -2.03 62.55 -11.50 -2.14 3 0 35.27 -999 ? C5' ADN C 503 >GLY~C 72 64.11 -7.84 -1.35 63.34 -7.70 -1.57 63.73 -7.77 -1.46 1 0 36.50 -999 ? N6 ADN D 504 >THR~C 73 61.77 -5.14 -2.68 60.70 -6.05 -4.32 61.24 -5.59 -3.50 2 0 37.39 -999 ? N6 ADN D 504 >SER~C 74 59.49 -2.66 -0.90 58.21 -1.31 -2.49 58.85 -1.98 -1.70 2 0 34.20 -999 ? N6 ADN D 504 >ARG~C 75 57.23 -8.63 -0.20 59.70 -9.40 1.46 58.46 -9.01 0.63 2 0 35.88 -999 ? C5' ADN C 503 >LYS~C 76 55.81 -5.82 2.96 53.49 -0.95 3.02 54.65 -3.39 2.99 2 0 35.17 -999 ? N6 ADN D 504 >ALA^C 77 56.59 -8.88 5.09 57.98 -9.09 5.64 57.29 -8.99 5.36 2 0 36.07 -999 ? C5' ADN C 503 >ILE^C 78 52.24 -9.12 6.59 51.43 -8.80 5.43 51.84 -8.96 6.01 3 0 34.33 -999 ? C5' ADN C 503 >VAL^C 79 51.89 -11.90 9.78 52.90 -12.72 11.54 52.40 -12.31 10.66 3 0 32.84 -999 ? C5' ADN C 503 >MET?C 80 48.10 -12.29 9.42 45.23 -12.95 6.29 46.67 -12.62 7.85 2 0 29.46 -999 ? O5' ADN C 503 >LYS^C 81 45.84 -13.75 12.11 43.92 -13.72 18.16 44.88 -13.73 15.14 2 0 33.83 -999 ? O5' ADN C 503 >THR^C 82 42.53 -15.03 10.79 43.07 -16.41 9.23 42.80 -15.72 10.01 2 0 27.03 -999 ? O5' ADN C 503 >LYS~C 83 39.24 -15.32 12.65 35.64 -10.24 11.72 37.44 -12.78 12.19 2 0 28.23 -999 ? O3' ADN B 502 >ASN~C 84 39.57 -20.07 11.73 41.33 -19.92 10.52 40.45 -20.00 11.12 2 0 24.47 -999 ? O5' ADN C 503 >ASP~C 85 42.38 -19.10 16.41 41.10 -17.94 17.68 41.74 -18.52 17.05 2 0 30.17 -999 ? O5' ADN C 503 >GLN~C 86 44.34 -21.63 11.56 44.00 -22.96 9.91 44.17 -22.29 10.74 2 0 21.58 -999 ? O5' ADN C 503 >TYR^C 87 48.77 -17.01 14.22 47.57 -16.48 16.70 48.17 -16.75 15.46 3 0 30.31 -999 ? O5' ADN C 503 >PHE^C 88 48.01 -17.57 7.25 45.77 -19.25 7.42 46.89 -18.41 7.33 3 0 24.86 -999 ? O5' ADN C 503 >VAL^C 89 53.73 -15.57 7.92 55.35 -15.85 9.37 54.54 -15.71 8.64 3 0 29.78 -999 ? C5' ADN C 503 >ALA^C 90 54.08 -14.40 4.34 52.84 -14.97 3.66 53.46 -14.68 4.00 2 0 28.47 -999 ? C5' ADN C 503 >PRO^C 91 55.19 -13.48 0.28 54.89 -12.32 2.17 55.04 -12.90 1.22 3 0 30.77 -999 ? C5' ADN C 503 >ASP~C 92 52.15 -7.80 2.00 50.41 -6.68 1.53 51.28 -7.24 1.77 2 0 35.47 -999 ? C5' ADN C 503 >ASN~C 93 52.94 -10.89 -2.97 53.21 -12.94 -2.39 53.07 -11.91 -2.68 2 0 29.78 -999 ? C8 ADN C 503 >GLY~C 94 48.24 -11.69 -2.34 48.82 -12.12 -2.04 48.53 -11.90 -2.19 1 0 29.65 -999 ? N7 ADN C 503 >VAL~C 95 49.23 -15.26 -1.50 50.88 -16.32 -0.55 50.05 -15.79 -1.02 3 0 26.33 -999 ? C5' ADN C 503 >LEU~C 96 47.44 -14.27 2.90 49.02 -14.98 4.21 48.23 -14.62 3.55 3 0 27.65 -999 ? C5' ADN C 503 >THR~C 97 44.00 -13.80 -0.40 43.65 -12.88 -2.33 43.82 -13.34 -1.37 2 0 27.97 -999 ? N7 ADN C 503 >VAL~C 98 41.95 -17.00 -0.07 41.79 -18.69 -1.49 41.87 -17.84 -0.78 3 0 23.41 -999 ? O5' ADN C 503 >VAL~C 99 42.47 -17.64 3.65 44.52 -18.27 4.12 43.50 -17.95 3.89 3 0 23.91 -999 ? O5' ADN C 503 >ALA~C 100 41.76 -13.94 4.35 42.45 -12.75 3.70 42.11 -13.35 4.03 2 0 28.95 -999 ? O5' ADN C 503 >GLU~C 101 37.05 -13.87 0.33 37.06 -13.66 -1.77 37.06 -13.76 -0.72 2 0 27.90 -999 ? N7 ADN C 503 >GLU~C 102 37.81 -19.09 1.64 35.85 -18.94 0.88 36.83 -19.02 1.26 2 0 23.35 -999 ? O5' ADN C 503 >TYR~C 103 39.99 -19.03 7.46 40.71 -21.68 6.92 40.35 -20.36 7.19 3 0 22.69 -999 ? O5' ADN C 503 >GLY~C 104 38.16 -13.34 7.74 38.90 -13.81 7.81 38.53 -13.57 7.77 1 0 29.68 -999 ? O5' ADN C 503 >VAL^C 105 41.05 -11.22 9.05 42.54 -10.25 7.76 41.80 -10.74 8.41 3 0 32.06 -999 ? O5' ADN C 503 >ALA^C 106 41.45 -10.66 12.80 41.63 -11.78 13.82 41.54 -11.22 13.31 2 0 32.58 -999 ? O3' ADN B 502 >GLU^C 107 46.23 -7.63 14.55 46.60 -7.53 16.65 46.42 -7.58 15.60 2 0 33.99 -999 ? O3' ADN B 502 >ILE^C 108 47.52 -7.50 9.09 47.33 -7.65 7.70 47.43 -7.57 8.39 3 0 35.43 -999 ? O5' ADN C 503 >ARG^C 109 50.96 -6.51 14.93 50.11 -5.07 17.47 50.54 -5.79 16.19 2 0 36.21 -999 ? O3' ADN B 502 >GLU^C 110 55.38 -4.40 8.01 55.69 -2.41 7.34 55.54 -3.40 7.67 2 0 34.18 -999 ? N6 ADN D 504 >ILE~C 111 57.88 -8.99 9.61 58.14 -10.40 9.48 58.01 -9.69 9.55 3 0 36.59 -999 ? C5' ADN C 503 >GLU~C 112 57.69 -3.46 11.28 56.71 -1.65 11.77 57.20 -2.56 11.53 2 0 32.83 -999 ? N6 ADN D 504 >ASN~C 113 60.27 -7.43 16.09 61.35 -7.80 17.89 60.81 -7.62 16.99 2 0 33.66 -999 ? O5' ADN A 501 >ARG~C 114 66.21 -4.42 11.92 66.56 -4.92 8.91 66.38 -4.67 10.42 2 0 30.95 -999 ? N6 ADN D 504 >GLU~C 115 65.60 -7.70 19.05 67.65 -7.58 18.62 66.62 -7.64 18.84 2 0 31.16 -999 ? O5' ADN A 501 >LEU~C 116 61.73 -11.81 15.17 60.15 -11.61 16.62 60.94 -11.71 15.89 3 0 34.01 -999 ? O5' ADN A 501 >PHE~C 117 65.20 -10.20 11.08 63.44 -8.28 10.02 64.32 -9.24 10.55 3 0 35.73 -999 ? N6 ADN D 504 >TYR~C 118 69.04 -17.03 10.33 71.28 -18.65 9.85 70.16 -17.84 10.09 3 0 35.51 -999 ? O5' ADN A 501 >LYS~C 119 70.75 -12.78 10.82 73.40 -14.75 5.85 72.07 -13.77 8.34 2 0 39.39 -999 ? N6 ADN D 504 >LYS~C 120 71.34 -9.09 11.53 74.54 -7.09 16.64 72.94 -8.09 14.08 2 0 31.97 -999 ? N6 ADN D 504 >ASN~C 121 73.44 -8.29 7.39 74.48 -6.98 8.72 73.96 -7.63 8.05 2 0 31.33 -999 ? N6 ADN D 504 >PRO~C 122 67.80 -9.43 7.50 69.62 -10.00 6.36 68.71 -9.72 6.93 3 0 35.08 -999 ? N6 ADN D 504 >SER~C 123 70.11 -11.64 2.43 68.75 -13.60 2.09 69.43 -12.62 2.26 2 0 37.58 -999 ? C5' ADN C 503 >PHE~C 124 70.22 -7.85 -0.69 72.20 -6.17 0.36 71.21 -7.01 -0.17 3 0 33.49 -999 ? N6 ADN D 504 >THR~C 125 66.91 -12.65 -2.03 68.28 -12.71 -3.71 67.60 -12.68 -2.87 2 0 -37.67 -999 ? C8 ADN C 503s >PHE~C 126 66.90 -17.64 1.18 66.04 -20.25 1.80 66.47 -18.94 1.49 3 0 -32.11 -999 ? C5' ADN C 503s >HIS~C 127 63.49 -11.20 2.70 64.54 -9.42 2.30 64.01 -10.31 2.50 3 0 37.34 -999 ? C5' ADN C 503 >GLY~C 128 62.33 -17.07 3.53 63.04 -16.72 3.87 62.69 -16.89 3.70 1 0 31.08 -999 ? C5' ADN C 503 >ARG~C 129 69.10 -19.14 5.35 71.24 -17.59 3.79 70.17 -18.36 4.57 2 0 36.81 -999 ? C5' ADN C 503 >ASP~C 130 67.27 -13.82 6.48 68.98 -14.78 5.67 68.13 -14.30 6.07 2 0 37.44 -999 ? C5' ADN C 503 >ILE~C 131 62.67 -12.06 7.41 62.66 -10.63 7.22 62.66 -11.34 7.31 3 0 36.68 -999 ? C5' ADN C 503 >PHE~C 132 59.00 -14.59 5.28 58.16 -12.41 3.69 58.58 -13.50 4.48 3 0 32.21 -999 ? C5' ADN C 503 >ALA~C 133 61.19 -18.79 8.87 62.36 -19.59 8.30 61.78 -19.19 8.59 2 0 30.44 -999 ? C5' ADN C 503 >PRO~C 134 63.85 -15.81 10.67 62.51 -17.48 11.38 63.18 -16.65 11.03 3 0 34.03 -999 ? C5' ADN C 503 >VAL~C 135 59.47 -15.25 12.68 58.62 -13.31 12.02 59.04 -14.28 12.35 3 0 34.25 -999 ? C5' ADN C 503 >ALA~C 136 57.28 -18.35 12.15 57.25 -19.24 10.90 57.26 -18.79 11.53 2 0 28.95 -999 ? C5' ADN C 503 >ALA~C 137 59.52 -20.22 14.64 61.02 -20.44 14.49 60.27 -20.33 14.56 2 0 31.75 -999 ? C5' ADN C 503 >HIS~C 138 61.23 -15.97 17.33 63.30 -15.91 17.68 62.26 -15.94 17.51 3 0 30.92 -999 ? O5' ADN A 501 >LEU~C 139 54.71 -16.90 15.60 54.14 -14.93 14.93 54.42 -15.91 15.27 3 0 32.55 -999 ? C5' ADN C 503 >ASP~C 140 55.58 -22.07 15.99 55.13 -24.09 16.49 55.36 -23.08 16.24 2 0 27.75 -999 ? C5' ADN C 503 >MET?C 141 57.15 -20.91 20.16 61.29 -20.68 20.82 59.22 -20.80 20.49 2 0 27.75 -999 ? O5' ADN A 501 >GLY~C 142 54.70 -18.56 21.87 55.16 -18.18 21.38 54.93 -18.37 21.63 1 0 30.89 -999 ? O5' ADN A 501 >LEU~C 143 56.77 -14.69 19.75 57.76 -12.83 19.30 57.27 -13.76 19.52 3 0 32.15 -999 ? O5' ADN A 501 >PRO~C 144 53.67 -12.38 23.57 53.55 -13.02 21.43 53.61 -12.70 22.50 3 0 32.44 -999 ? O5' ADN A 501 >LEU~C 145 50.18 -11.46 17.52 49.56 -11.37 15.45 49.87 -11.41 16.49 3 0 35.59 -999 ? O5' ADN C 503 >GLU~C 146 51.99 -7.58 21.57 51.01 -6.74 23.25 51.50 -7.16 22.41 2 0 35.91 -999 ? O5' ADN A 501 >ARG~C 147 56.16 -7.87 22.27 55.26 -6.17 24.66 55.71 -7.02 23.47 2 0 32.63 -999 ? O5' ADN A 501 >VAL~C 148 56.10 -8.75 15.58 55.26 -10.17 14.14 55.68 -9.46 14.86 3 0 38.00 -999 ? C5' ADN C 503 >GLY~C 149 55.70 -5.03 14.78 54.96 -5.35 15.06 55.33 -5.19 14.92 1 0 36.24 -999 ? N7 ADN D 504 >ASP~C 150 53.17 -1.01 13.59 54.52 0.15 14.72 53.85 -0.43 14.16 2 0 32.81 -999 ? N7 ADN D 504 >ARG~C 151 46.48 -3.52 15.27 46.66 -3.36 18.33 46.57 -3.44 16.80 2 0 32.32 -999 ? O3' ADN B 502 >LEU~C 152 49.30 -3.83 8.15 51.27 -3.57 7.32 50.28 -3.70 7.74 3 0 38.66 -999 ? N6 ADN D 504 >LEU~C 153 44.52 -0.61 8.22 44.21 0.33 10.13 44.37 -0.14 9.17 3 0 32.63 -999 ? O5' ADN B 502 >SER~C 154 45.26 -3.48 4.54 46.32 -1.66 3.35 45.79 -2.57 3.94 2 0 37.57 -999 ? O5' ADN B 502 >TYR~C 155 45.47 -8.11 3.02 42.93 -9.24 2.71 44.20 -8.68 2.87 3 0 32.89 -999 ? O5' ADN C 503 >GLU~C 156 49.69 -6.05 -2.01 48.79 -4.29 -2.75 49.24 -5.17 -2.38 2 0 36.86 -999 ? N7 ADN C 503 >VAL~C 157 44.56 -8.96 -2.78 42.56 -8.81 -1.90 43.56 -8.89 -2.34 3 0 31.89 -999 ? N7 ADN C 503 >LEU~C 158 45.04 -12.61 -5.94 47.08 -13.25 -6.19 46.06 -12.93 -6.06 3 0 27.60 -999 ? N7 ADN C 503 >LYS~C 159 41.63 -10.58 -8.22 43.14 -5.43 -9.25 42.38 -8.01 -8.74 2 0 34.84 -999 ? N7 ADN C 503 >MET?C 160 39.35 -13.61 -8.47 41.10 -16.11 -5.51 40.22 -14.86 -6.99 2 0 24.33 -999 ? N7 ADN C 503 >ARG~C 161 34.33 -14.65 -13.76 34.65 -17.69 -13.91 34.49 -16.17 -13.84 2 0 23.97 -999 ? N6 ADN C 503 >LYS~C 162 33.69 -15.77 -7.84 30.94 -16.99 -3.26 32.31 -16.38 -5.55 2 0 26.50 -999 ? N7 ADN C 503 >PRO~C 163 32.92 -20.05 -7.87 32.31 -18.29 -9.08 32.61 -19.17 -8.48 3 0 23.16 -999 ? N6 ADN C 503 >VAL^C 164 28.05 -18.49 -9.72 28.08 -16.37 -10.25 28.07 -17.43 -9.99 3 0 26.62 -999 ? N6 ADN C 503 >VAL^C 165 25.01 -20.47 -10.81 23.98 -22.11 -9.82 24.50 -21.29 -10.31 3 0 25.53 -999 ? N6 ADN C 503 >GLU^C 166 25.50 -16.83 -14.20 26.82 -15.86 -15.55 26.16 -16.34 -14.87 2 0 28.98 -999 ? N6 ADN C 503 >ASN~C 167 20.21 -19.75 -16.53 21.87 -19.02 -17.67 21.04 -19.39 -17.10 2 0 29.77 -999 ? N6 ADN C 503 >GLU~C 168 18.88 -24.74 -15.90 17.98 -25.48 -17.66 18.43 -25.11 -16.78 2 0 28.57 -999 ? N6 ADN C 503 >LYS^C 169 24.88 -23.81 -15.18 27.11 -20.12 -19.84 25.99 -21.97 -17.51 2 0 26.44 -999 ? N6 ADN C 503 >VAL^C 170 27.86 -22.92 -13.03 27.74 -24.51 -11.55 27.80 -23.72 -12.29 3 0 21.60 -999 ? N6 ADN C 503 >ILE^C 171 30.86 -20.09 -15.38 30.93 -19.50 -16.74 30.89 -19.79 -16.06 3 0 23.78 -999 ? N6 ADN C 503 >GLY^C 172 34.33 -21.38 -12.75 34.44 -21.56 -13.57 34.38 -21.47 -13.16 1 0 20.46 -999 ? N6 ADN C 503 >GLU^C 173 38.32 -19.61 -13.82 39.28 -17.81 -13.24 38.80 -18.71 -13.53 2 0 22.93 -999 ? N6 ADN C 503 >VAL^C 174 40.49 -24.93 -12.83 41.24 -26.44 -14.22 40.86 -25.68 -13.52 3 0 15.09 -999 ? N6 ADN C 503 >ALA^C 175 42.19 -24.22 -9.49 41.43 -24.16 -8.18 41.81 -24.19 -8.83 2 0 16.14 -999 ? N7 ADN C 503 >ILE^C 176 44.62 -27.62 -7.63 45.24 -27.62 -6.40 44.93 -27.62 -7.01 3 0 12.86 -999 ? N7 ADN C 503 >VAL^C 177 45.39 -30.31 -11.24 45.50 -30.53 -13.41 45.44 -30.42 -12.32 3 0 11.03 -999 ? N6 ADN C 503 >ASP~C 178 46.15 -33.68 -7.81 44.82 -35.17 -8.49 45.49 -34.42 -8.15 2 0 5.52 -999 ? N7 ADN C 503 >THR~C 179 49.37 -35.78 -9.72 51.17 -36.33 -8.69 50.27 -36.05 -9.20 2 0 9.25 -999 ? C8 ADN C 503 >PHE~C 180 46.00 -39.24 -8.59 47.02 -40.33 -6.22 46.51 -39.79 -7.41 3 0 -3.49 -999 ? C8 ADN C 503s >GLY~C 181 45.42 -35.53 -13.29 45.01 -35.64 -12.56 45.22 -35.59 -12.93 1 0 6.93 -999 ? N6 ADN C 503 >ASN~C 182 41.99 -35.19 -9.84 42.10 -37.29 -9.44 42.05 -36.24 -9.64 2 0 -3.32 -999 ? N7 ADN C 503s >VAL^C 183 40.85 -31.39 -12.15 40.69 -30.75 -14.25 40.77 -31.07 -13.20 3 0 9.76 -999 ? N6 ADN C 503 >SER^C 184 39.76 -29.46 -9.08 39.60 -29.01 -6.72 39.68 -29.24 -7.90 2 0 11.74 -999 ? N7 ADN C 503 >THR^C 185 37.83 -26.26 -9.67 35.94 -26.91 -10.45 36.88 -26.58 -10.06 2 0 14.62 -999 ? N6 ADN C 503 >ASN^C 186 37.54 -21.79 -8.00 36.40 -20.91 -9.57 36.97 -21.35 -8.78 2 0 20.24 -999 ? N6 ADN C 503 >ILE^C 187 32.70 -24.80 -8.82 31.89 -24.76 -9.98 32.29 -24.78 -9.40 3 0 18.18 -999 ? N6 ADN C 503 >PRO^C 188 32.16 -22.92 -3.64 32.25 -24.85 -4.76 32.20 -23.89 -4.20 3 0 19.82 -999 ? N7 ADN C 503 >PHE~C 189 30.16 -31.13 -4.66 28.94 -33.29 -5.99 29.55 -32.21 -5.33 3 0 15.39 -999 ? N6 ADN C 503 >ASP~C 190 27.60 -26.38 -1.19 27.89 -27.65 0.45 27.75 -27.01 -0.37 2 0 19.97 -999 ? O5' ADN C 503 >LEU~C 191 27.94 -23.41 -5.55 27.58 -21.56 -6.60 27.76 -22.48 -6.07 3 0 23.04 -999 ? N6 ADN C 503 >PHE~C 192 27.55 -29.30 -8.95 26.81 -31.37 -10.68 27.18 -30.33 -9.82 3 0 17.43 -999 ? N6 ADN C 503 >LEU~C 193 24.28 -29.65 -4.56 25.27 -31.55 -4.31 24.77 -30.60 -4.44 3 0 20.29 -999 ? N6 ADN C 503 >LYS~C 194 22.16 -25.74 -6.13 22.81 -22.17 -2.24 22.48 -23.96 -4.18 2 0 27.35 -999 ? O5' ADN C 503 >LEU~C 195 22.19 -27.49 -10.65 23.37 -26.17 -11.91 22.78 -26.83 -11.28 3 0 23.02 -999 ? N6 ADN C 503 >SER~C 196 18.72 -29.89 -9.49 16.63 -28.71 -9.74 17.68 -29.30 -9.62 2 0 27.36 -999 ? N6 ADN C 503 >VAL~C 197 21.28 -32.71 -9.32 22.85 -31.61 -10.35 22.07 -32.16 -9.83 3 0 20.98 -999 ? N6 ADN C 503 >ASP~C 198 20.83 -36.42 -6.63 21.26 -37.90 -5.16 21.05 -37.16 -5.89 2 0 20.83 -999 ? N1 ADN C 503 >PHE~C 199 26.10 -38.33 -5.20 27.67 -36.61 -3.64 26.88 -37.47 -4.42 3 0 16.03 -999 ? N1 ADN C 503 >ASP~C 200 23.01 -41.85 -9.55 23.95 -43.25 -8.28 23.48 -42.55 -8.91 2 0 17.06 -999 ? N1 ADN C 503 >ASP~C 201 22.27 -36.63 -11.83 20.23 -36.64 -11.27 21.25 -36.64 -11.55 2 0 21.42 -999 ? N6 ADN C 503 >VAL^C 202 24.62 -37.01 -15.50 25.07 -38.33 -17.17 24.84 -37.67 -16.33 3 0 17.58 -999 ? N6 ADN C 503 >VAL^C 203 25.77 -33.50 -16.36 26.47 -32.86 -14.41 26.12 -33.18 -15.39 3 0 17.46 -999 ? N6 ADN C 503 >ARG^C 204 25.18 -31.38 -21.97 22.89 -29.38 -22.40 24.03 -30.38 -22.18 2 0 24.43 -999 ? N6 ADN C 503 >VAL^C 205 31.28 -30.48 -18.74 32.77 -31.36 -17.44 32.02 -30.92 -18.09 3 0 15.20 -999 ? N6 ADN C 503 >ARG^C 206 30.26 -24.77 -22.82 31.59 -22.01 -23.04 30.92 -23.39 -22.93 2 0 24.21 -999 ? N6 ADN C 503 >VAL^C 207 35.82 -26.69 -21.71 36.78 -28.51 -20.98 36.30 -27.60 -21.35 3 0 17.40 -999 ? N6 ADN C 503 >GLY~C 208 36.50 -24.37 -24.62 35.81 -24.83 -24.43 36.15 -24.60 -24.53 1 0 21.79 -999 ? N6 ADN C 503 >ARG~C 209 36.35 -24.20 -30.92 39.02 -24.82 -32.30 37.68 -24.51 -31.61 2 0 26.71 -999 ? N6 ADN C 503 >LYS^C 210 34.59 -29.16 -26.08 40.69 -30.77 -25.81 37.64 -29.96 -25.94 2 0 17.90 -999 ? N6 ADN C 503 >GLU^C 211 29.09 -30.66 -23.93 27.31 -29.62 -24.43 28.20 -30.14 -24.18 2 0 22.36 -999 ? N6 ADN C 503 >PHE^C 212 34.23 -33.96 -22.17 36.72 -33.54 -23.37 35.48 -33.75 -22.77 3 0 14.92 -999 ? N6 ADN C 503 >LYS^C 213 29.06 -35.97 -20.42 24.82 -37.01 -23.61 26.94 -36.49 -22.01 2 0 21.15 -999 ? N6 ADN C 503 >ALA^C 214 30.01 -36.96 -16.87 31.05 -35.96 -16.37 30.53 -36.46 -16.62 2 0 12.51 -999 ? N6 ADN C 503 >ALA^C 215 28.33 -38.81 -14.02 28.41 -40.31 -13.81 28.37 -39.56 -13.92 2 0 13.23 -999 ? N6 ADN C 503 >VAL^C 216 27.95 -37.13 -10.65 26.71 -35.43 -10.06 27.33 -36.28 -10.35 3 0 14.59 -999 ? N6 ADN C 503 >ALA~C 217 29.58 -39.69 -8.37 30.45 -40.69 -9.11 30.01 -40.19 -8.74 2 0 10.70 -999 ? N1 ADN C 503 >LYS~C 218 30.97 -40.16 -4.88 26.17 -41.49 -0.98 28.57 -40.83 -2.93 2 0 16.25 -999 ? O5' ADN C 503 >ALA~C 219 33.94 -42.46 -5.53 33.96 -43.79 -4.79 33.95 -43.12 -5.16 2 0 8.35 -999 ? C2 ADN C 503 >PHE~C 220 38.32 -41.72 -7.97 39.56 -39.54 -6.72 38.94 -40.63 -7.35 3 0 -3.47 -999 ? C5 ADN C 503s >GLY~C 221 35.14 -46.50 -8.73 34.63 -45.90 -8.63 34.89 -46.20 -8.68 1 0 6.50 -999 ? C2 ADN C 503 >ASP~C 222 30.74 -44.41 -8.25 30.59 -44.71 -6.15 30.67 -44.56 -7.20 2 0 10.91 -999 ? C2 ADN C 503 >VAL~C 223 31.91 -45.40 -12.74 32.38 -43.28 -12.95 32.15 -44.34 -12.84 3 0 9.30 -999 ? N1 ADN C 503 >ASP~C 224 33.09 -48.08 -16.66 31.18 -49.00 -16.62 32.14 -48.54 -16.64 2 0 13.25 -999 ? N1 ADN C 503 >THR~C 225 37.35 -47.41 -15.62 38.13 -49.42 -15.51 37.74 -48.42 -15.57 2 0 8.91 -999 ? C2 ADN C 503 >GLY~C 226 38.40 -44.58 -17.90 37.72 -44.52 -17.46 38.06 -44.55 -17.68 1 0 8.36 -999 ? N1 ADN C 503 >GLU~C 227 33.41 -44.59 -18.07 32.94 -43.86 -19.99 33.17 -44.22 -19.03 2 0 12.72 -999 ? N1 ADN C 503 >LEU^C 228 34.41 -37.99 -17.33 35.71 -36.73 -18.51 35.06 -37.36 -17.92 3 0 9.97 -999 ? N6 ADN C 503 >LEU^C 229 33.16 -39.19 -12.05 34.87 -39.93 -10.97 34.01 -39.56 -11.51 3 0 7.37 -999 ? N6 ADN C 503 >VAL^C 230 32.14 -34.99 -11.19 31.16 -33.21 -11.94 31.65 -34.10 -11.57 3 0 11.60 -999 ? N6 ADN C 503 >HIS^C 231 34.57 -36.46 -7.08 36.64 -36.37 -6.77 35.60 -36.41 -6.92 3 0 8.01 -999 ? N6 ADN C 503 >PRO^C 232 31.95 -34.66 -3.10 33.04 -33.64 -4.77 32.49 -34.15 -3.93 3 0 12.44 -999 ? O5' ADN C 503 >ASP~C 233 38.21 -32.44 -4.31 38.30 -30.43 -3.67 38.25 -31.44 -3.99 2 0 11.63 -999 ? N7 ADN C 503 >SER~C 234 38.47 -33.65 -0.09 40.90 -33.64 -0.17 39.69 -33.64 -0.13 2 0 7.84 -999 ? O5' ADN C 503 >ALA~C 235 38.19 -29.89 0.49 39.27 -28.95 -0.03 38.73 -29.42 0.23 2 0 12.76 -999 ? O5' ADN C 503 >GLY~C 236 34.59 -29.61 -0.70 35.16 -29.50 -1.23 34.87 -29.55 -0.97 1 0 14.03 -999 ? O5' ADN C 503 >PHE^C 237 36.92 -26.32 -3.80 37.26 -23.95 -2.34 37.09 -25.13 -3.07 3 0 16.88 -999 ? N7 ADN C 503 >LEU^C 238 32.81 -29.01 -8.29 32.08 -29.60 -10.24 32.44 -29.30 -9.27 3 0 14.37 -999 ? N6 ADN C 503 >GLU^C 239 38.63 -33.18 -8.72 39.90 -34.00 -7.23 39.26 -33.59 -7.98 2 0 6.89 -999 ? N7 ADN C 503 >ILE^C 240 36.36 -32.94 -13.78 35.87 -32.26 -13.91 36.12 -32.60 -13.84 3 0 9.93 -999 ? N6 ADN C 503 >ALA^C 241 38.32 -36.97 -12.65 38.57 -37.59 -11.27 38.45 -37.28 -11.96 2 0 4.02 -999 ? N6 ADN C 503 >VAL^C 242 38.74 -40.03 -14.84 39.54 -40.19 -16.87 39.14 -40.11 -15.86 3 0 -5.50 -999 ? N6 ADN C 503s >ASN~C 243 37.16 -44.17 -12.81 37.44 -45.92 -11.64 37.30 -45.04 -12.22 2 0 -4.81 -999 ? C2 ADN C 503s >LEU~C 244 41.63 -46.21 -13.28 41.65 -47.79 -11.81 41.64 -47.00 -12.55 3 0 -4.66 -999 ? C2 ADN C 503s >GLY~C 245 42.72 -42.10 -15.64 42.68 -41.76 -14.88 42.70 -41.93 -15.26 1 0 5.28 -999 ? N6 ADN C 503 >ASP~C 246 45.32 -38.38 -16.70 46.20 -36.49 -16.40 45.76 -37.44 -16.55 2 0 8.46 -999 ? N6 ADN C 503 >ALA~C 247 41.12 -35.96 -16.42 40.25 -35.47 -15.28 40.68 -35.72 -15.85 2 0 6.82 -999 ? N6 ADN C 503 >SER~C 248 43.46 -33.06 -17.24 45.74 -33.54 -16.44 44.60 -33.30 -16.84 2 0 10.02 -999 ? N6 ADN C 503 >GLN~C 249 46.77 -36.08 -19.49 47.90 -37.90 -19.43 47.34 -36.99 -19.46 2 0 11.18 -999 ? N6 ADN C 503 >VAL~C 250 41.17 -36.21 -21.39 39.84 -37.85 -20.86 40.50 -37.03 -21.12 3 0 10.92 -999 ? N6 ADN C 503 >LEU~C 251 39.33 -32.08 -19.68 37.52 -32.60 -18.62 38.42 -32.34 -19.15 3 0 12.03 -999 ? N6 ADN C 503 >SER~C 252 43.02 -31.19 -22.24 43.90 -30.45 -24.36 43.46 -30.82 -23.30 2 0 17.09 -999 ? N6 ADN C 503 >VAL~C 253 42.81 -28.49 -19.61 41.33 -28.35 -18.02 42.07 -28.42 -18.81 3 0 14.53 -999 ? N6 ADN C 503 >LYS~C 254 45.27 -26.63 -17.39 45.50 -23.05 -21.34 45.39 -24.84 -19.36 2 0 20.83 -999 ? N6 ADN C 503 >GLU~C 255 46.60 -25.98 -12.68 47.81 -26.02 -10.94 47.20 -26.00 -11.81 2 0 15.38 -999 ? N7 ADN C 503 >GLY~C 256 43.38 -21.28 -14.78 43.04 -21.95 -15.10 43.21 -21.61 -14.94 1 0 19.76 -999 ? N6 ADN C 503 >ASP~C 257 41.38 -23.90 -18.42 43.04 -24.03 -19.71 42.21 -23.96 -19.07 2 0 18.82 -999 ? N6 ADN C 503 >GLU^C 258 35.50 -20.26 -17.86 34.68 -18.49 -18.67 35.09 -19.37 -18.26 2 0 24.31 -999 ? N6 ADN C 503 >ILE^C 259 35.68 -25.68 -15.99 36.08 -27.15 -15.85 35.88 -26.42 -15.92 3 0 15.95 -999 ? N6 ADN C 503 >GLU^C 260 29.53 -23.55 -18.39 28.91 -22.54 -20.15 29.22 -23.04 -19.27 2 0 23.74 -999 ? N6 ADN C 503 >ILE^C 261 29.44 -27.73 -14.10 30.22 -28.98 -14.20 29.83 -28.35 -14.15 3 0 17.04 -999 ? N6 ADN C 503 >CYH^C 262 25.67 -27.49 -16.94 26.85 -26.60 -19.36 26.26 -27.04 -18.15 2 0 21.80 -999 ? N6 ADN C 503 >ARG~C 263 20.76 -30.73 -19.54 17.76 -31.01 -20.03 19.26 -30.87 -19.79 2 0 27.01 -999 ? N6 ADN C 503 >MET?D 1 59.19 24.09 35.74 63.12 23.98 34.06 61.16 24.03 34.90 2 0 19.86 -999 ? C5' ADN D 504 >ILE^D 2 55.67 24.26 32.64 54.25 24.25 32.79 54.96 24.25 32.71 3 0 25.19 -999 ? C5' ADN D 504 >GLY^D 3 58.17 22.70 29.10 57.33 22.82 29.30 57.75 22.76 29.20 1 0 20.85 -999 ? C5' ADN D 504 >PHE^D 4 54.20 26.54 26.53 51.69 27.41 25.67 52.94 26.97 26.10 3 0 24.19 -999 ? C5' ADN D 504 >LEU^D 5 56.39 22.07 22.94 57.57 21.45 21.24 56.98 21.76 22.09 3 0 19.98 -999 ? C5' ADN D 504 >THR^D 6 53.23 24.32 20.32 52.38 26.02 21.37 52.80 25.17 20.84 2 0 23.88 -999 ? C5' ADN D 504 >ASP~D 7 52.11 24.00 15.77 50.04 23.66 16.13 51.07 23.83 15.95 2 0 -25.90 -999 ? C8 ADN D 504s >TRP~D 8 49.36 26.50 19.23 48.78 27.34 23.04 49.07 26.92 21.14 3 0 -27.16 -999 ? C5' ADN D 504s >GLY~D 9 53.80 30.64 16.46 53.43 30.63 17.25 53.61 30.63 16.85 1 0 22.46 -999 ? C3' ADN D 504 >LEU~D 10 56.43 33.83 18.86 57.26 32.81 20.57 56.84 33.32 19.72 3 0 20.00 -999 ? C3' ADN D 504 >LYS~D 11 53.28 36.14 16.11 51.63 37.95 10.26 52.45 37.05 13.19 2 0 27.22 -999 ? C2' ADN D 504 >SER~D 12 49.83 35.47 17.59 48.80 34.01 15.93 49.32 34.74 16.76 2 0 27.93 -999 ? C3' ADN D 504 >HIS~D 13 46.26 36.92 21.01 44.41 36.32 20.24 45.34 36.62 20.63 3 0 32.00 -999 ? C3' ADN D 504 >TYR~D 14 47.01 31.81 19.50 45.24 32.25 17.37 46.13 32.03 18.44 3 0 30.23 -999 ? C3' ADN D 504 >VAL~D 15 51.22 31.85 23.58 53.25 31.33 22.99 52.24 31.59 23.28 3 0 24.76 -999 ? C5' ADN D 504 >GLY~D 16 50.75 35.00 25.65 50.24 34.39 25.59 50.49 34.70 25.62 1 0 27.37 -999 ? O3' ADN D 504 >VAL~D 17 47.25 34.27 26.95 45.88 34.30 25.27 46.56 34.28 26.11 3 0 31.32 -999 ? C3' ADN D 504 >ALA~D 18 48.08 30.65 27.76 48.70 29.64 26.81 48.39 30.15 27.29 2 0 28.63 -999 ? C5' ADN D 504 >LYS~D 19 50.95 31.90 29.93 56.51 32.52 26.93 53.73 32.21 28.43 2 0 21.89 -999 ? C5' ADN D 504 >ALA~D 20 48.66 34.43 31.59 47.72 35.38 30.85 48.19 34.90 31.22 2 0 31.92 -999 ? C5' ADN D 504 >VAL~D 21 46.33 31.59 32.58 44.83 30.41 31.53 45.58 31.00 32.05 3 0 33.42 -999 ? C5' ADN D 504 >ILE~D 22 50.40 29.00 33.17 51.17 27.93 32.58 50.78 28.47 32.87 3 0 28.83 -999 ? C5' ADN D 504 >LYS~D 23 50.49 32.55 35.86 55.81 32.70 36.34 53.15 32.63 36.10 2 0 27.22 -999 ? C5' ADN D 504 >ARG~D 24 44.57 34.81 34.64 41.72 35.94 34.53 43.15 35.37 34.58 2 0 35.36 -999 ? N1 ADN B 502 >ILE~D 25 46.76 28.54 37.83 46.02 27.33 37.45 46.39 27.94 37.64 3 0 33.87 -999 ? N1 ADN B 502 >ASN~D 26 51.17 28.16 39.44 52.92 27.85 40.63 52.04 28.01 40.03 2 0 31.55 -999 ? C5' ADN D 504 >PRO~D 27 50.43 33.54 41.28 51.84 32.35 40.05 51.14 32.95 40.66 3 0 33.49 -999 ? C5' ADN D 504 >SER~D 28 55.55 31.06 40.53 55.94 31.56 42.88 55.74 31.31 41.71 2 0 31.44 -999 ? C5' ADN D 504 >ALA~D 29 55.26 28.43 37.80 53.97 28.02 37.10 54.61 28.22 37.45 2 0 28.47 -999 ? C5' ADN D 504 >GLU~D 30 60.92 28.95 35.36 61.02 31.06 35.61 60.97 30.00 35.49 2 0 22.68 -999 ? C5' ADN D 504 >ILE^D 31 56.26 29.30 31.32 54.89 29.34 30.83 55.58 29.32 31.07 3 0 23.86 -999 ? C5' ADN D 504 >ILE^D 32 61.41 26.54 30.06 61.79 26.73 30.76 61.60 26.64 30.41 3 0 18.31 -999 ? C5' ADN D 504 >ASP^D 33 59.35 28.94 25.06 57.84 30.21 25.77 58.59 29.58 25.41 2 0 19.75 -999 ? C5' ADN D 504 >ILE^D 34 60.20 23.20 24.09 60.31 21.77 24.37 60.25 22.49 24.23 3 0 17.16 -999 ? C5' ADN D 504 >THR^D 35 59.46 25.93 20.78 60.55 25.14 19.10 60.00 25.54 19.94 2 0 15.69 -999 ? C5' ADN D 504 >HIS~D 36 55.75 28.81 21.49 55.31 28.57 23.52 55.53 28.69 22.51 3 0 20.98 -999 ? C5' ADN D 504 >GLU~D 37 58.98 29.49 16.08 57.31 30.79 16.21 58.15 30.14 16.14 2 0 19.01 -999 ? C3' ADN D 504 >VAL~D 38 56.57 23.83 14.98 56.19 22.01 16.11 56.38 22.92 15.54 3 0 19.65 -999 ? C8 ADN D 504 >GLU~D 39 57.08 22.93 9.84 58.57 22.79 11.36 57.82 22.86 10.60 2 0 17.52 -999 ? N7 ADN D 504 >PRO~D 40 51.60 26.00 10.57 52.07 24.04 11.50 51.84 25.02 11.04 3 0 24.10 -999 ? N7 ADN D 504 >PHE~D 41 48.01 21.58 11.05 46.73 23.84 10.00 47.37 22.71 10.53 3 0 -28.69 -999 ? N7 ADN D 504s >ASN~D 42 54.36 19.46 11.88 55.68 18.05 10.99 55.02 18.75 11.43 2 0 21.46 -999 ? N7 ADN D 504 >VAL~D 43 52.90 16.37 15.42 51.02 15.27 15.28 51.96 15.82 15.35 3 0 25.68 -999 ? N7 ADN D 504 >ARG~D 44 57.10 12.33 10.91 55.98 9.60 11.73 56.54 10.97 11.32 2 0 25.21 -999 ? N7 ADN D 504 >LYS~D 45 58.12 17.02 14.17 61.20 21.16 12.65 59.66 19.09 13.41 2 0 15.16 -999 ? N7 ADN D 504 >ALA~D 46 56.82 18.09 17.57 55.40 18.54 17.85 56.11 18.31 17.71 2 0 21.88 -999 ? C8 ADN D 504 >SER~D 47 57.26 14.53 18.89 57.29 12.85 17.10 57.27 13.69 18.00 2 0 22.53 -999 ? N7 ADN D 504 >HIS~D 48 61.33 13.35 15.83 61.19 11.50 14.85 61.26 12.42 15.34 3 0 19.40 -999 ? N7 ADN D 504 >VAL~D 49 61.55 18.08 19.34 61.24 20.07 18.53 61.40 19.07 18.93 3 0 16.46 -999 ? C8 ADN D 504 >LEU~D 50 58.38 16.57 22.68 57.10 16.58 24.42 57.74 16.58 23.55 3 0 21.41 -999 ? C5' ADN D 504 >TYR~D 51 63.10 12.00 22.83 65.30 10.45 23.60 64.20 11.23 23.22 3 0 19.47 -999 ? O5' ADN D 504 >ARG~D 52 66.14 15.23 18.79 66.96 13.78 16.21 66.55 14.50 17.50 2 0 14.65 -999 ? N7 ADN D 504 >ALA~D 53 64.34 18.80 24.61 63.24 19.80 24.29 63.79 19.30 24.45 2 0 15.44 -999 ? C5' ADN D 504 >SER~D 54 63.06 16.76 27.57 62.49 14.51 26.82 62.78 15.64 27.19 2 0 19.49 -999 ? O5' ADN D 504 >LEU~D 55 67.35 14.70 26.70 67.10 12.92 25.52 67.22 13.81 26.11 3 0 16.49 -999 ? O5' ADN D 504 >ASP~D 56 68.25 19.47 28.55 69.77 18.76 27.27 69.01 19.12 27.91 2 0 12.37 -999 ? O5' ADN D 504 >PHE~D 57 62.98 20.17 30.41 62.42 22.49 28.93 62.70 21.33 29.67 3 0 17.79 -999 ? C5' ADN D 504 >PRO~D 58 64.55 19.57 36.06 64.88 17.85 34.71 64.71 18.71 35.39 3 0 20.95 -999 ? O5' ADN D 504 >PRO~D 59 64.04 14.24 38.15 63.01 15.23 36.44 63.52 14.74 37.29 3 0 24.54 -999 ? O5' ADN D 504 >SER~D 60 59.01 16.23 37.76 59.42 15.69 40.10 59.22 15.96 38.93 2 0 28.56 -999 ? O5' ADN D 504 >THR~D 61 59.06 18.64 34.82 60.55 19.53 33.51 59.81 19.08 34.17 2 0 22.20 -999 ? O5' ADN D 504 >VAL^D 62 55.58 19.27 33.46 53.78 19.68 34.63 54.68 19.48 34.04 3 0 27.00 -999 ? C5' ADN D 504 >PHE^D 63 57.64 18.15 29.09 60.37 17.96 29.65 59.01 18.06 29.37 3 0 21.65 -999 ? C5' ADN D 504 >LEU^D 64 52.35 22.77 28.45 50.40 23.69 28.37 51.37 23.23 28.41 3 0 26.62 -999 ? C5' ADN D 504 >VAL^D 65 52.65 19.94 24.44 53.88 18.26 23.84 53.26 19.10 24.14 3 0 24.58 -999 ? C5' ADN D 504 >VAL^D 66 49.99 21.47 22.21 48.47 22.60 23.31 49.23 22.04 22.76 3 0 -27.54 -999 ? C5' ADN D 504s >VAL~D 67 49.92 20.69 18.47 51.68 20.31 17.25 50.80 20.50 17.86 3 0 -25.76 -999 ? C8 ADN D 504s >ASP~D 68 45.66 20.05 19.89 43.84 19.10 20.24 44.75 19.58 20.06 2 0 -29.07 -999 ? C2 ADN B 502s >TYR~D 69 45.43 18.00 13.69 45.89 15.23 13.70 45.66 16.61 13.69 3 0 -31.34 -999 ? N7 ADN D 504s >GLY~D 70 41.92 17.58 16.34 42.16 18.26 16.76 42.04 17.92 16.55 1 0 27.57 -999 ? O5' ADN B 502 >VAL~D 71 40.97 20.16 18.95 41.13 22.34 18.98 41.05 21.25 18.97 3 0 27.56 -999 ? O5' ADN B 502 >GLY~D 72 37.24 20.16 19.65 37.63 19.48 19.49 37.44 19.82 19.57 1 0 23.62 -999 ? O5' ADN B 502 >THR~D 73 36.83 16.61 18.37 38.34 16.32 16.87 37.58 16.47 17.62 2 0 23.78 -999 ? O5' ADN B 502 >SER~D 74 36.48 13.26 20.12 36.48 11.51 18.43 36.48 12.38 19.28 2 0 20.59 -999 ? O5' ADN B 502 >ARG~D 75 42.50 15.48 20.88 41.22 17.75 22.51 41.86 16.61 21.70 2 0 25.49 -999 ? C2 ADN B 502 >LYS~D 76 41.21 12.53 24.09 39.01 8.02 26.35 40.11 10.27 25.22 2 0 20.41 -999 ? C2 ADN B 502 >ALA^D 77 42.93 15.15 26.23 42.16 16.35 26.73 42.55 15.75 26.48 2 0 24.68 -999 ? C2 ADN B 502 >ILE^D 78 45.74 12.02 27.97 45.85 11.12 26.77 45.79 11.57 27.37 3 0 27.01 -999 ? C2 ADN B 502 >VAL^D 79 48.32 13.62 30.96 48.32 14.87 32.74 48.32 14.24 31.85 3 0 29.59 -999 ? C2 ADN B 502 >MET?D 80 51.13 11.07 30.71 53.46 9.24 27.65 52.29 10.16 29.18 2 0 29.65 -999 ? O5' ADN D 504 >LYS^D 81 53.79 10.12 33.22 55.10 8.41 39.19 54.44 9.27 36.21 2 0 33.86 -999 ? O5' ADN D 504 >THR^D 82 56.87 8.39 31.84 57.65 9.79 30.39 57.26 9.09 31.12 2 0 27.07 -999 ? O5' ADN D 504 >LYS~D 83 59.36 6.14 33.67 58.33 0.20 31.65 58.84 3.17 32.66 2 0 31.13 -999 ? O5' ADN A 501 >ASN~D 84 62.58 9.53 32.69 61.49 11.07 31.69 62.04 10.30 32.19 2 0 24.28 -999 ? O5' ADN D 504 >ASP~D 85 60.47 11.14 37.48 60.88 9.36 38.56 60.68 10.25 38.02 2 0 29.52 -999 ? O5' ADN D 504 >GLN~D 86 60.62 13.99 32.79 61.76 14.63 31.11 61.19 14.31 31.95 2 0 21.85 -999 ? O5' ADN D 504 >TYR^D 87 54.26 14.57 35.48 54.82 13.29 37.91 54.54 13.93 36.69 3 0 30.37 -999 ? O5' ADN D 504 >PHE^D 88 55.03 14.26 28.53 57.80 13.85 28.58 56.41 14.05 28.56 3 0 25.11 -999 ? O5' ADN D 504 >VAL^D 89 49.82 17.32 29.32 48.95 18.69 30.77 49.38 18.00 30.05 3 0 30.11 -999 ? C5' ADN D 504 >ALA^D 90 48.81 16.92 25.68 50.10 16.54 24.96 49.45 16.73 25.32 2 0 28.51 -999 ? C5' ADN D 504 >PRO^D 91 47.26 17.09 21.60 46.75 16.03 23.49 47.01 16.56 22.55 3 0 30.26 -999 ? C2 ADN B 502 >ASP~D 92 44.84 11.06 22.91 45.22 9.00 22.66 45.03 10.03 22.78 2 0 27.44 -999 ? C2 ADN B 502 >ASN~D 93 47.05 13.68 18.16 48.36 15.24 18.81 47.71 14.46 18.48 2 0 29.68 -999 ? C8 ADN D 504 >GLY~D 94 50.72 10.67 18.97 50.65 11.42 19.21 50.69 11.05 19.09 1 0 29.49 -999 ? N7 ADN D 504 >VAL~D 95 52.70 13.80 19.78 52.42 15.76 20.71 52.56 14.78 20.24 3 0 26.31 -999 ? C8 ADN D 504 >LEU~D 96 53.00 11.76 24.12 52.32 13.27 25.49 52.66 12.51 24.80 3 0 27.95 -999 ? C5' ADN D 504 >THR~D 97 54.98 8.97 20.80 54.53 8.25 18.80 54.75 8.61 19.80 2 0 27.69 -999 ? N7 ADN D 504 >VAL~D 98 58.75 9.41 21.16 60.12 10.48 19.85 59.43 9.94 20.50 3 0 23.44 -999 ? N7 ADN D 504 >VAL~D 99 59.12 10.15 24.87 58.20 12.07 25.35 58.66 11.11 25.11 3 0 23.90 -999 ? O5' ADN D 504 >ALA~D 100 56.73 7.26 25.51 55.35 7.11 24.88 56.04 7.19 25.20 2 0 28.84 -999 ? O5' ADN D 504 >GLU~D 101 57.57 4.35 21.55 57.64 3.82 19.51 57.60 4.08 20.53 2 0 28.65 -999 ? N7 ADN D 504 >GLU~D 102 63.09 7.53 23.05 64.47 6.02 22.53 63.78 6.77 22.79 2 0 23.34 -999 ? O5' ADN D 504 >TYR~D 103 61.56 9.25 28.75 63.13 11.46 28.06 62.35 10.36 28.41 3 0 22.75 -999 ? O5' ADN D 504 >GLY~D 104 58.43 4.12 28.89 58.32 4.97 29.01 58.37 4.54 28.95 1 0 29.74 -999 ? O5' ADN D 504 >VAL^D 105 54.91 4.86 30.10 53.11 5.23 28.93 54.01 5.04 29.52 3 0 32.26 -999 ? O5' ADN D 504 >ALA^D 106 54.35 4.94 33.85 54.99 5.97 34.78 54.67 5.46 34.31 2 0 33.00 -999 ? O5' ADN D 504 >GLU^D 107 48.96 6.66 35.79 48.56 6.59 37.86 48.76 6.62 36.82 2 0 29.97 -999 ? C2 ADN B 502 >ILE^D 108 48.00 7.14 30.34 48.27 7.09 28.93 48.13 7.12 29.63 3 0 28.93 -999 ? C2 ADN B 502 >ARG^D 109 45.16 9.22 36.02 44.83 7.53 38.54 45.00 8.37 37.28 2 0 26.46 -999 ? C2 ADN B 502 >GLU^D 110 40.56 11.22 29.12 38.92 10.07 28.47 39.74 10.65 28.80 2 0 19.93 -999 ? C2 ADN B 502 >ILE~D 111 42.02 16.28 30.51 43.10 17.04 31.21 42.56 16.66 30.86 3 0 24.68 -999 ? C2 ADN B 502 >GLU~D 112 38.17 12.36 32.43 37.59 10.40 32.99 37.88 11.38 32.71 2 0 18.44 -999 ? C2 ADN B 502 >ASN~D 113 39.57 17.02 37.27 38.93 17.52 39.24 39.25 17.27 38.25 2 0 22.92 -999 ? C2 ADN B 502 >ARG~D 114 33.35 19.83 32.86 33.78 18.77 30.01 33.56 19.30 31.44 2 0 17.84 -999 ? C2 ADN B 502 >GLU~D 115 36.24 20.57 39.88 34.68 21.93 39.47 35.46 21.25 39.67 2 0 21.63 -999 ? N1 ADN B 502 >LEU~D 116 42.03 20.98 36.37 42.75 19.55 37.82 42.39 20.27 37.09 3 0 26.49 -999 ? C2 ADN B 502 >PHE~D 117 38.44 22.32 32.33 38.29 19.75 31.22 38.37 21.03 31.77 3 0 22.84 -999 ? C2 ADN B 502 >TYR~D 118 41.10 29.78 31.59 41.03 32.57 31.39 41.06 31.17 31.49 3 0 31.40 -999 ? N1 ADN B 502 >LYS~D 119 36.64 27.96 31.69 36.61 31.87 26.67 36.62 29.91 29.18 2 0 29.49 -999 ? N1 ADN B 502 >LYS~D 120 33.81 25.74 32.91 35.98 25.93 36.64 34.90 25.83 34.78 2 0 24.44 -999 ? N1 ADN B 502 >ASN~D 121 31.32 26.59 29.07 30.07 25.71 27.58 30.70 26.15 28.33 2 0 20.65 -999 ? N1 ADN B 502 >PRO~D 122 36.38 23.93 28.73 35.32 25.55 27.65 35.85 24.74 28.19 3 0 23.47 -999 ? C2 ADN B 502 >SER~D 123 36.21 27.01 23.65 38.57 27.33 23.18 37.39 27.17 23.42 2 0 28.26 -999 ? C2 ADN B 502 >PHE~D 124 33.27 24.94 20.11 30.59 25.11 20.94 31.93 25.03 20.53 3 0 22.17 -999 ? O5' ADN B 502 >THR~D 125 39.18 25.31 19.27 38.45 26.41 17.55 38.81 25.86 18.41 2 0 -28.39 -999 ? O5' ADN B 502s >PHE~D 126 42.93 28.65 22.52 45.43 29.79 23.12 44.18 29.22 22.82 3 0 -32.28 -999 ? C5' ADN D 504s >HIS~D 127 40.28 21.80 23.82 38.27 21.43 23.38 39.28 21.62 23.60 3 0 25.23 -999 ? C2 ADN B 502 >GLY~D 128 45.44 24.80 24.86 44.73 25.15 25.17 45.09 24.97 25.01 1 0 31.27 -999 ? C5' ADN D 504 >ARG~D 129 42.55 31.20 26.83 39.93 31.84 25.39 41.24 31.52 26.11 2 0 31.79 -999 ? C2 ADN B 502 >ASP~D 130 39.62 26.34 27.88 39.29 28.15 26.83 39.46 27.24 27.36 2 0 28.46 -999 ? C2 ADN B 502 >ILE~D 131 41.79 21.68 28.44 40.56 21.27 29.08 41.17 21.48 28.76 3 0 25.61 -999 ? C2 ADN B 502 >PHE~D 132 45.96 20.75 26.54 44.82 18.77 24.90 45.39 19.76 25.72 3 0 29.04 -999 ? C2 ADN B 502 >ALA~D 133 47.53 25.11 30.08 47.27 26.52 29.54 47.40 25.81 29.81 2 0 30.65 -999 ? C5' ADN D 504 >PRO~D 134 43.62 25.09 31.97 45.73 25.28 32.66 44.68 25.19 32.31 3 0 30.40 -999 ? C2 ADN B 502 >VAL~D 135 46.02 21.52 33.92 45.19 19.64 33.18 45.60 20.58 33.55 3 0 29.02 -999 ? C2 ADN B 502 >ALA~D 136 49.78 21.81 33.47 50.48 22.23 32.18 50.13 22.02 32.83 2 0 29.06 -999 ? C5' ADN D 504 >ALA~D 137 49.81 24.77 35.85 48.93 26.01 35.72 49.37 25.39 35.79 2 0 31.80 -999 ? C5' ADN D 504 >HIS~D 138 45.65 23.06 38.68 44.02 24.34 39.01 44.83 23.70 38.85 3 0 30.59 -999 ? C2 ADN B 502 >LEU~D 139 50.38 18.68 36.75 49.16 16.96 36.26 49.77 17.82 36.50 3 0 32.24 -999 ? C2 ADN B 502 >ASP~D 140 53.71 22.73 37.11 55.44 23.80 37.62 54.57 23.27 37.36 2 0 27.79 -999 ? C5' ADN D 504 >MET?D 141 52.18 23.11 41.33 49.74 26.39 42.23 50.96 24.75 41.78 2 0 34.97 -999 ? C5' ADN D 504 >GLY~D 142 51.84 19.74 43.05 51.25 19.83 42.53 51.54 19.78 42.79 1 0 34.67 -999 ? C5' ADN D 504 >LEU~D 143 47.53 19.02 40.93 45.41 18.71 40.61 46.47 18.87 40.77 3 0 30.49 -999 ? C2 ADN B 502 >PRO~D 144 47.38 15.13 44.50 48.06 15.36 42.40 47.72 15.25 43.45 3 0 31.52 -999 ? C2 ADN B 502 >LEU~D 145 49.21 11.92 38.45 49.50 11.39 36.38 49.36 11.66 37.42 3 0 30.77 -999 ? C2 ADN B 502 >GLU~D 146 45.56 10.90 42.79 45.90 9.85 44.60 45.73 10.37 43.69 2 0 29.62 -999 ? C2 ADN B 502 >ARG~D 147 43.86 15.96 43.47 40.92 16.87 43.66 42.39 16.41 43.56 2 0 26.08 -999 ? N1 ADN B 502 >VAL~D 148 43.04 14.43 36.85 44.87 14.94 35.76 43.96 14.68 36.31 3 0 25.85 -999 ? C2 ADN B 502 >GLY~D 149 40.85 11.64 35.53 41.53 11.30 35.93 41.19 11.47 35.73 1 0 22.13 -999 ? C2 ADN B 502 >ASP~D 150 39.39 7.08 34.69 37.68 7.24 35.92 38.54 7.16 35.31 2 0 18.92 -999 ? C2 ADN B 502 >ARG~D 151 45.33 3.91 36.65 44.24 4.17 39.51 44.79 4.04 38.08 2 0 26.51 -999 ? C2 ADN B 502 >LEU~D 152 43.91 5.89 29.22 42.33 7.32 28.85 43.12 6.61 29.04 3 0 24.03 -999 ? C2 ADN B 502 >LEU~D 153 44.48 0.23 28.47 42.73 -0.68 29.35 43.60 -0.22 28.91 3 0 25.95 -999 ? C2 ADN B 502 >SER~D 154 46.87 2.77 25.83 45.44 1.83 24.10 46.15 2.30 24.97 2 0 28.00 -999 ? C2 ADN B 502 >TYR~D 155 49.83 6.25 24.33 52.43 5.24 24.11 51.13 5.74 24.22 3 0 32.79 -999 ? C2 ADN B 502 >GLU~D 156 45.37 7.94 19.43 44.61 6.45 18.13 44.99 7.20 18.78 2 0 28.59 -999 ? O5' ADN B 502 >VAL~D 157 51.02 6.26 18.43 52.32 4.74 19.29 51.67 5.50 18.86 3 0 31.58 -999 ? N7 ADN D 504 >LEU~D 158 53.37 9.06 15.29 52.47 11.02 15.47 52.92 10.04 15.38 3 0 27.48 -999 ? N7 ADN D 504 >LYS~D 159 54.15 5.31 12.82 54.97 0.75 10.81 54.56 3.03 11.82 2 0 32.11 -999 ? N6 ADN D 504 >MET?D 160 57.94 5.41 12.85 58.53 8.68 15.49 58.24 7.05 14.17 2 0 23.93 -999 ? N7 ADN D 504 >ARG~D 161 61.85 2.07 7.66 64.53 3.58 7.70 63.19 2.82 7.68 2 0 24.22 -999 ? N6 ADN D 504 >LYS~D 162 63.25 2.21 13.43 65.47 0.71 18.17 64.36 1.46 15.80 2 0 26.92 -999 ? N7 ADN D 504 >PRO~D 163 67.00 4.41 13.80 65.97 3.19 12.26 66.48 3.80 13.03 3 0 23.05 -999 ? N6 ADN D 504 >VAL^D 164 68.65 0.31 10.60 67.89 -0.21 8.62 68.27 0.05 9.61 3 0 25.67 -999 ? N6 ADN D 504 >VAL^D 165 72.25 0.33 11.81 72.76 1.94 13.20 72.51 1.13 12.51 3 0 23.57 -999 ? N6 ADN D 504 >GLU^D 166 72.44 -4.06 11.08 72.91 -4.61 13.07 72.68 -4.34 12.07 2 0 29.20 -999 ? N6 ADN D 504 >ASN~D 167 78.89 -4.23 9.49 79.93 -3.97 11.34 79.41 -4.10 10.42 2 0 28.35 -999 ? N6 ADN D 504 >GLU~D 168 75.41 -5.37 4.09 74.75 -7.33 3.69 75.08 -6.35 3.89 2 0 32.34 -999 ? N6 ADN D 504 >LYS^D 169 73.47 -0.97 6.24 69.92 -4.91 7.32 71.70 -2.94 6.78 2 0 30.11 -999 ? N6 ADN D 504 >VAL^D 170 72.62 2.23 8.08 74.15 3.75 8.45 73.38 2.99 8.27 3 0 21.62 -999 ? N6 ADN D 504 >ILE^D 171 68.58 3.22 5.93 68.91 2.81 5.27 68.75 3.02 5.60 3 0 23.23 -999 ? N6 ADN D 504 >GLY^D 172 67.17 6.53 8.64 67.29 6.73 7.80 67.23 6.63 8.22 1 0 20.27 -999 ? N6 ADN D 504 >GLU^D 173 63.13 9.33 9.19 61.27 8.34 9.05 62.20 8.84 9.12 2 0 22.32 -999 ? N6 ADN D 504 >VAL^D 174 65.80 13.43 8.60 66.55 15.04 7.37 66.17 14.23 7.98 3 0 14.87 -999 ? N6 ADN D 504 >ALA^D 175 64.11 14.30 11.88 64.56 13.67 13.21 64.33 13.98 12.55 2 0 16.03 -999 ? N7 ADN D 504 >ILE^D 176 65.04 18.39 13.66 64.47 18.88 14.90 64.75 18.64 14.28 3 0 12.85 -999 ? N7 ADN D 504 >VAL^D 177 66.61 20.69 10.06 66.60 20.84 7.89 66.60 20.76 8.98 3 0 10.96 -999 ? N6 ADN D 504 >ASP~D 178 68.69 23.53 13.39 70.69 23.55 12.69 69.69 23.54 13.04 2 0 5.39 -999 ? N7 ADN D 504 >THR~D 179 68.10 27.33 11.54 67.48 29.04 12.70 67.79 28.19 12.12 2 0 9.17 -999 ? C8 ADN D 504 >PHE~D 180 72.87 26.83 12.58 73.00 28.27 14.98 72.93 27.55 13.78 3 0 -3.52 -999 ? C8 ADN D 504s >GLY~D 181 70.37 24.06 7.94 70.78 23.82 8.65 70.57 23.94 8.29 1 0 7.03 -999 ? N6 ADN D 504 >ASN~D 182 72.47 21.25 11.30 74.04 22.67 11.53 73.26 21.96 11.42 2 0 -3.39 -999 ? N6 ADN D 504s >VAL^D 183 70.39 17.83 9.01 70.01 17.21 6.96 70.20 17.52 7.98 3 0 9.80 -999 ? N6 ADN D 504 >SER^D 184 69.81 15.76 12.15 69.48 15.46 14.52 69.64 15.61 13.33 2 0 11.58 -999 ? N7 ADN D 504 >THR^D 185 68.58 12.20 11.67 70.24 11.17 10.78 69.41 11.69 11.23 2 0 14.64 -999 ? N6 ADN D 504 >ASN^D 186 65.50 9.03 13.31 65.65 7.64 11.71 65.58 8.33 12.51 2 0 20.06 -999 ? N6 ADN D 504 >ILE^D 187 70.96 7.38 12.57 71.42 6.71 11.41 71.19 7.04 11.99 3 0 18.14 -999 ? N6 ADN D 504 >PRO^D 188 69.95 5.94 17.86 71.37 7.13 16.64 70.66 6.53 17.25 3 0 19.64 -999 ? N7 ADN D 504 >PHE~D 189 77.35 9.82 16.28 79.71 10.31 14.86 78.53 10.06 15.57 3 0 15.10 -999 ? N6 ADN D 504 >ASP~D 190 75.88 5.42 20.63 76.23 7.00 21.97 76.06 6.21 21.30 2 0 18.68 -999 ? O5' ADN D 504 >LEU~D 191 73.71 2.40 17.07 72.47 1.38 18.53 73.09 1.89 17.80 3 0 23.77 -999 ? N7 ADN D 504 >PHE~D 192 77.02 5.96 12.40 78.72 6.89 10.38 77.87 6.43 11.39 3 0 17.83 -999 ? N6 ADN D 504 >LEU~D 193 80.04 5.39 17.15 82.18 5.73 17.11 81.11 5.56 17.13 3 0 20.22 -999 ? N6 ADN D 504 >LYS~D 194 79.85 0.84 16.96 75.88 -0.78 21.64 77.87 0.03 19.30 2 0 26.41 -999 ? O5' ADN D 504 >LEU~D 195 79.35 0.74 12.14 77.22 0.47 11.86 78.29 0.60 12.00 3 0 23.69 -999 ? N6 ADN D 504 >SER~D 196 83.54 -0.28 11.56 83.58 -2.65 11.03 83.56 -1.46 11.30 2 0 27.68 -999 ? N6 ADN D 504 >VAL~D 197 83.76 3.50 11.12 82.23 5.03 10.84 83.00 4.26 10.98 3 0 20.86 -999 ? N6 ADN D 504 >ASP~D 198 87.18 5.43 13.50 88.13 6.58 15.00 87.65 6.01 14.25 2 0 21.37 -999 ? N6 ADN D 504 >PHE~D 199 85.52 10.66 15.43 83.29 10.84 17.11 84.41 10.75 16.27 3 0 16.44 -999 ? N6 ADN D 504 >ASP~D 200 89.84 11.12 10.96 90.18 12.30 12.68 90.01 11.71 11.82 2 0 17.47 -999 ? N1 ADN D 504 >ASP~D 201 86.53 7.22 8.61 88.00 5.93 9.41 87.26 6.58 9.01 2 0 21.41 -999 ? N6 ADN D 504 >VAL^D 202 85.45 9.78 4.94 86.27 10.92 3.27 85.86 10.35 4.11 3 0 17.71 -999 ? N6 ADN D 504 >VAL^D 203 82.01 8.28 4.38 81.28 8.32 6.43 81.65 8.30 5.41 3 0 17.37 -999 ? N6 ADN D 504 >ARG^D 204 80.56 5.73 -0.98 79.15 3.03 -1.36 79.86 4.38 -1.17 2 0 24.40 -999 ? N6 ADN D 504 >VAL^D 205 76.12 10.19 2.25 75.82 11.88 3.57 75.97 11.04 2.91 3 0 15.25 -999 ? N6 ADN D 504 >ARG^D 206 72.08 5.54 -1.27 70.57 3.09 -2.30 71.32 4.32 -1.78 2 0 25.51 -999 ? N6 ADN D 504 >VAL^D 207 70.18 11.09 -0.57 71.00 13.05 -0.03 70.59 12.07 -0.30 3 0 17.45 -999 ? N6 ADN D 504 >GLY~D 208 68.09 9.51 -3.29 68.94 9.44 -3.14 68.52 9.47 -3.22 1 0 22.02 -999 ? N6 ADN D 504 >ARG~D 209 67.86 9.44 -9.57 66.62 11.98 -10.77 67.24 10.71 -10.17 2 0 26.63 -999 ? N6 ADN D 504 >LYS^D 210 72.78 11.70 -5.06 70.50 16.99 -3.83 71.64 14.34 -4.45 2 0 17.30 -999 ? N6 ADN D 504 >GLU^D 211 77.67 8.85 -2.83 78.43 6.98 -3.44 78.05 7.92 -3.13 2 0 22.23 -999 ? N6 ADN D 504 >PHE^D 212 76.39 14.87 -1.05 74.37 16.43 -2.20 75.38 15.65 -1.63 3 0 14.95 -999 ? N6 ADN D 504 >LYS^D 213 81.44 12.43 0.53 82.61 7.91 -2.20 82.02 10.17 -0.84 2 0 21.46 -999 ? N6 ADN D 504 >ALA^D 214 81.46 13.55 4.18 80.06 13.65 4.76 80.76 13.60 4.47 2 0 12.44 -999 ? N6 ADN D 504 >ALA^D 215 84.16 13.32 6.85 85.33 14.30 6.95 84.74 13.81 6.90 2 0 13.49 -999 ? N6 ADN D 504 >VAL^D 216 83.28 11.93 10.28 82.77 9.89 10.86 83.03 10.91 10.57 3 0 14.64 -999 ? N6 ADN D 504 >ALA~D 217 84.15 14.88 12.50 84.31 16.25 11.85 84.23 15.57 12.18 2 0 10.75 -999 ? N1 ADN D 504 >LYS~D 218 83.36 16.07 16.01 87.81 12.88 19.26 85.59 14.47 17.64 2 0 16.69 -999 ? O5' ADN D 504 >ALA~D 219 83.26 19.82 15.49 84.26 20.67 16.28 83.76 20.25 15.88 2 0 8.49 -999 ? C2 ADN D 504 >PHE~D 220 79.89 22.79 13.24 77.41 22.17 14.37 78.65 22.48 13.81 3 0 -3.49 -999 ? C5 ADN D 504s >GLY~D 221 85.59 23.56 12.47 85.47 22.77 12.52 85.53 23.17 12.49 1 0 6.67 -999 ? C2 ADN D 504 >ASP~D 222 86.82 18.87 12.80 86.99 19.02 14.90 86.91 18.95 13.85 2 0 10.80 -999 ? C2 ADN D 504 >VAL~D 223 86.68 20.36 8.32 84.75 19.34 8.15 85.72 19.85 8.24 3 0 9.36 -999 ? N1 ADN D 504 >ASP~D 224 88.05 23.05 4.50 90.04 22.37 4.68 89.05 22.71 4.59 2 0 13.32 -999 ? N1 ADN D 504 >THR~D 225 84.83 25.95 5.25 84.93 28.10 5.43 84.88 27.03 5.34 2 0 8.72 -999 ? C2 ADN D 504 >GLY~D 226 81.86 24.71 3.25 82.30 24.21 3.66 82.08 24.46 3.46 1 0 8.49 -999 ? N1 ADN D 504 >GLU~D 227 85.26 21.14 3.13 84.91 21.18 1.05 85.08 21.16 2.09 2 0 12.55 -999 ? N1 ADN D 504 >LEU^D 228 79.70 17.28 3.72 77.79 17.45 2.74 78.75 17.36 3.23 3 0 10.18 -999 ? N6 ADN D 504 >LEU^D 229 81.39 17.17 8.97 80.87 18.95 10.06 81.13 18.06 9.52 3 0 7.53 -999 ? N6 ADN D 504 >VAL^D 230 78.88 13.59 9.87 78.19 11.72 8.99 78.54 12.66 9.43 3 0 11.72 -999 ? N6 ADN D 504 >HIS^D 231 78.44 16.44 14.07 77.18 18.09 14.34 77.81 17.26 14.20 3 0 7.90 -999 ? N6 ADN D 504 >PRO^D 232 78.60 13.33 18.00 77.19 13.61 16.31 77.89 13.47 17.16 3 0 12.39 -999 ? N7 ADN D 504 >ASP~D 233 72.96 16.72 17.14 71.49 15.32 17.73 72.22 16.02 17.43 2 0 11.55 -999 ? N7 ADN D 504 >SER~D 234 73.73 17.66 21.28 72.10 19.46 21.31 72.92 18.56 21.30 2 0 7.93 -999 ? O5' ADN D 504 >ALA~D 235 71.21 14.84 21.69 69.85 15.11 21.06 70.53 14.98 21.38 2 0 12.68 -999 ? O5' ADN D 504 >GLY~D 236 73.30 11.88 20.55 72.88 12.27 20.00 73.09 12.08 20.27 1 0 14.16 -999 ? O5' ADN D 504 >PHE^D 237 69.31 11.68 17.50 67.22 10.53 18.97 68.26 11.10 18.24 3 0 16.63 -999 ? N7 ADN D 504 >LEU^D 238 73.88 10.25 12.90 74.88 10.05 10.99 74.38 10.15 11.95 3 0 14.35 -999 ? N6 ADN D 504 >GLU^D 239 73.19 17.36 12.51 73.30 18.95 13.89 73.24 18.15 13.20 2 0 6.65 -999 ? N7 ADN D 504 >ILE^D 240 74.35 15.41 7.42 74.37 14.55 6.30 74.36 14.98 6.86 3 0 10.25 -999 ? N6 ADN D 504 >ALA^D 241 76.21 19.51 8.53 76.41 20.05 9.95 76.31 19.78 9.24 2 0 4.22 -999 ? N6 ADN D 504 >VAL^D 242 78.24 21.88 6.39 77.82 22.41 4.32 78.03 22.15 5.36 3 0 -5.69 -999 ? N6 ADN D 504s >ASN~D 243 82.44 23.52 8.21 83.61 25.01 9.18 83.02 24.26 8.69 2 0 5.13 -999 ? C2 ADN D 504 >LEU~D 244 81.08 28.25 7.81 82.11 29.41 9.30 81.60 28.83 8.55 3 0 -4.79 -999 ? C2 ADN D 504s >GLY~D 245 77.09 26.46 5.60 76.85 26.23 6.35 76.97 26.34 5.97 1 0 5.43 -999 ? N6 ADN D 504 >ASP~D 246 72.65 25.87 4.43 70.64 25.32 4.79 71.64 25.59 4.61 2 0 8.57 -999 ? N6 ADN D 504 >ALA~D 247 73.53 21.13 4.81 73.74 20.15 5.96 73.63 20.64 5.39 2 0 6.88 -999 ? N6 ADN D 504 >SER~D 248 69.78 20.99 4.08 68.70 23.03 4.88 69.24 22.01 4.48 2 0 10.03 -999 ? N6 ADN D 504 >GLN~D 249 69.73 25.57 1.57 70.15 27.63 1.23 69.94 26.60 1.40 2 0 11.99 -999 ? N6 ADN D 504 >VAL~D 250 73.62 21.42 -0.11 75.75 21.50 0.37 74.68 21.46 0.13 3 0 10.98 -999 ? N6 ADN D 504 >LEU~D 251 71.90 17.21 1.59 73.48 16.29 2.74 72.69 16.75 2.16 3 0 11.97 -999 ? N6 ADN D 504 >SER~D 252 68.77 19.39 -0.86 67.71 19.72 -3.02 68.24 19.55 -1.94 2 0 16.98 -999 ? N6 ADN D 504 >VAL~D 253 66.73 17.42 1.69 68.34 16.27 2.60 67.54 16.85 2.14 3 0 14.57 -999 ? N6 ADN D 504 >LYS~D 254 63.82 18.11 4.02 60.80 16.00 0.20 62.31 17.06 2.11 2 0 20.82 -999 ? N6 ADN D 504 >GLU~D 255 62.58 18.13 9.23 61.58 19.60 10.38 62.08 18.86 9.80 2 0 15.54 -999 ? N7 ADN D 504 >GLY~D 256 61.05 13.10 6.55 61.81 13.29 6.26 61.43 13.20 6.41 1 0 19.75 -999 ? N6 ADN D 504 >ASP~D 257 64.43 13.41 3.07 63.37 14.67 1.74 63.90 14.04 2.40 2 0 18.74 -999 ? N6 ADN D 504 >GLU^D 258 65.73 6.58 3.42 64.97 4.85 2.47 65.35 5.71 2.94 2 0 24.13 -999 ? N6 ADN D 504 >ILE^D 259 69.57 10.16 5.62 70.11 11.33 4.87 69.84 10.75 5.24 3 0 16.09 -999 ? N6 ADN D 504 >GLU^D 260 72.45 4.40 2.81 71.79 2.87 1.51 72.12 3.63 2.16 2 0 23.73 -999 ? N6 ADN D 504 >ILE^D 261 75.83 6.91 6.60 75.62 7.67 6.88 75.73 7.29 6.74 3 0 17.38 -999 ? N6 ADN D 504 >CYH^D 262 77.87 4.12 3.54 75.68 3.65 1.84 76.77 3.89 2.69 2 0 22.35 -999 ? N6 ADN D 504 >ARG~D 263 82.21 0.74 6.05 81.99 -1.90 7.57 82.10 -0.58 6.81 2 0 26.77 -999 ? N6 ADN D 504