REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 30-JUL-08 3DZM COMPND HYPOTHETICAL CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: TTOA; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 262724; SOURCE 4 STRAIN: HB27; SOURCE 5 GENE: TT_C0834; SOURCE 6 EXPRESSION_SYSTEM: THERMUS THERMOPHILUS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 274; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HB8; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMK18 AUTHOR A.BROSIG,K.DIEDERICHS HET CA A 208 1 HET C8E A 209 21 HET C8E A 210 21 HET CA B 208 1 HET C8E B 209 21 HET C8E B 210 21 HET CA C 208 1 HET C8E C 209 21 HET C8E C 210 21 SSBOND 1 CYS A 159 CYS A 177 1555 1555 2.04 SSBOND 2 CYS B 159 CYS B 177 1555 1555 2.05 SSBOND 3 CYS C 159 CYS C 177 1555 1555 2.03 SITE 1 AC1 4 ASP A 45 LEU A 47 ASP A 49 GLU A 70 SITE 1 AC2 4 ASP B 45 LEU B 47 ASP B 49 GLU B 70 SITE 1 AC3 4 ASP C 45 LEU C 47 ASP C 49 GLU C 70 SITE 1 AC4 8 GLY A 14 SER A 44 ASN A 74 THR A 191 SITE 1 AC5 5 TYR A 154 GLN A 157 ASN A 187 GLN A 192 SITE 1 AC6 9 GLY B 14 SER B 44 ASN B 74 TYR B 154 SITE 1 AC7 6 TYR C 154 GLN C 157 ASN C 187 THR C 191 SITE 1 AC8 11 GLY C 14 SER C 44 ASP C 45 ASN C 74 SITE 1 AC9 7 TYR A 83 TYR B 154 PHE B 156 GLN B 157 >HIS.A 0 44.54 -33.06 -16.20 42.49 -32.93 -16.64 43.52 -33.00 -16.42 3 0 19.31 -999 ? C20 C8E C 210 >ALA.A 1 48.46 -34.30 -18.00 49.33 -33.34 -18.81 48.90 -33.82 -18.40 2 0 22.55 -999 ? C20 C8E C 210 >ALA.A 2 49.63 -37.90 -18.66 48.30 -38.61 -18.78 48.96 -38.25 -18.72 2 0 18.15 -999 ? C20 C8E C 210 >LYS^A 3 52.63 -38.57 -20.93 53.13 -33.95 -19.17 52.88 -36.26 -20.05 2 0 24.80 -999 ? C20 C8E C 210 >PHE^A 4 49.89 -42.01 -22.91 47.86 -42.25 -21.03 48.87 -42.13 -21.97 3 0 17.62 -999 ? C20 C8E C 210 >SER^A 5 55.35 -42.73 -25.42 56.65 -41.65 -23.68 56.00 -42.19 -24.55 2 0 24.40 -999 ? C2 C8E C 209 >VAL^A 6 56.15 -45.66 -27.60 55.77 -45.97 -29.79 55.96 -45.81 -28.70 3 0 25.12 -999 ? C2 C8E C 209 >GLU^A 7 61.29 -47.52 -25.12 61.48 -48.69 -23.33 61.39 -48.11 -24.22 2 0 19.52 -999 ? C17 C8E A 209 >ALA^A 8 61.58 -49.53 -29.33 61.65 -49.30 -30.88 61.62 -49.41 -30.10 2 0 20.71 -999 ? O18 C8E A 209 >GLY^A 9 64.71 -51.29 -28.16 64.32 -51.77 -28.65 64.52 -51.53 -28.40 1 0 17.25 -999 ? C17 C8E A 209 >ALA^A 10 67.31 -53.72 -29.40 67.90 -53.34 -30.78 67.60 -53.53 -30.09 2 0 16.05 -999 ? O18 C8E A 209 >GLY^A 11 69.81 -55.88 -27.59 69.20 -56.35 -27.77 69.50 -56.11 -27.68 1 0 12.60 -999 ? O18 C8E A 209 >PHE^A 12 71.82 -60.62 -24.43 72.20 -63.22 -23.50 72.01 -61.92 -23.97 3 0 6.66 -999 ? C16 C8E A 209 >TYR^A 13 65.07 -60.93 -23.01 63.35 -61.54 -20.90 64.21 -61.24 -21.95 3 0 6.88 -999 ? C17 C8E A 209 >GLY.A 14 69.00 -64.43 -23.63 69.02 -63.91 -24.27 69.01 -64.17 -23.95 1 0 -3.37 -999 ? O18 C8E A 209s >GLY.A 15 69.71 -63.96 -27.30 69.55 -63.21 -26.86 69.63 -63.59 -27.08 1 0 5.65 -999 ? O18 C8E A 209 >PHE^A 16 70.34 -59.36 -31.43 70.16 -56.70 -32.34 70.25 -58.03 -31.88 3 0 13.01 -999 ? O18 C8E A 209 >GLY^A 17 66.16 -59.55 -30.47 66.70 -58.93 -30.18 66.43 -59.24 -30.32 1 0 10.84 -999 ? O18 C8E A 209 >GLY^A 18 64.23 -56.43 -29.63 63.79 -57.08 -29.36 64.01 -56.75 -29.49 1 0 13.28 -999 ? O18 C8E A 209 >GLN^A 19 61.68 -53.90 -25.59 60.40 -53.32 -23.97 61.04 -53.61 -24.78 2 0 15.77 -999 ? C17 C8E A 209 >LEU^A 20 57.38 -52.91 -29.60 57.55 -52.15 -31.57 57.46 -52.53 -30.59 3 0 19.65 -999 ? O18 C8E A 209 >ALA^A 21 56.59 -50.97 -25.51 57.52 -51.00 -24.26 57.05 -50.99 -24.88 2 0 19.23 -999 ? C17 C8E A 209 >VAL^A 22 54.15 -48.28 -24.50 51.93 -48.23 -24.31 53.04 -48.26 -24.41 3 0 19.55 -999 ? C2 C8E C 209 >VAL^A 23 55.06 -46.20 -21.45 57.12 -45.79 -20.99 56.09 -46.00 -21.22 3 0 19.69 -999 ? C2 C8E C 209 >ALA^A 24 52.81 -43.94 -19.44 51.44 -44.45 -19.14 52.13 -44.20 -19.29 2 0 18.03 -999 ? C20 C8E C 210 >GLU^A 25 56.22 -40.62 -18.58 57.98 -41.28 -19.55 57.10 -40.95 -19.06 2 0 22.98 -999 ? C2 C8E C 209 >ASP.A 26 53.70 -37.11 -16.05 55.72 -36.42 -15.97 54.71 -36.76 -16.01 2 0 24.86 -999 ? C2 C8E C 209 >LEU.A 27 50.11 -41.52 -13.79 50.71 -43.29 -14.89 50.41 -42.40 -14.34 3 0 17.39 -999 ? C20 C8E C 210 >ALA.A 28 49.40 -37.55 -11.60 49.27 -38.37 -10.35 49.33 -37.96 -10.97 2 0 19.19 -999 ? C20 C8E C 210 >PRO.A 29 48.07 -33.69 -10.44 50.09 -34.62 -10.76 49.08 -34.15 -10.60 3 0 21.86 -999 ? O21 C8E C 210 >GLY.A 30 52.55 -35.18 -7.68 52.48 -35.61 -8.33 52.51 -35.40 -8.00 1 0 24.21 -999 ? C2 C8E C 209 >LEU.A 31 52.60 -39.79 -9.06 50.82 -40.32 -7.99 51.71 -40.05 -8.53 3 0 19.24 -999 ? C2 C8E C 209 >PRO.A 32 57.75 -39.23 -8.25 56.30 -39.72 -9.90 57.02 -39.47 -9.08 3 0 21.50 -999 ? C2 C8E C 209 >LEU^A 33 53.84 -43.82 -10.58 54.72 -44.80 -8.87 54.28 -44.31 -9.73 3 0 15.98 -999 ? C2 C8E C 209 >GLY^A 34 55.45 -44.86 -14.56 55.21 -45.43 -13.93 55.33 -45.14 -14.24 1 0 16.97 -999 ? C2 C8E C 209 >VAL^A 35 54.03 -47.97 -16.20 52.15 -48.80 -15.61 53.09 -48.39 -15.90 3 0 13.71 -999 ? C2 C8E C 209 >ARG^A 36 59.00 -50.13 -20.90 61.68 -51.06 -19.88 60.34 -50.60 -20.39 2 0 15.77 -999 ? C1 C8E A 210 >LEU^A 37 52.42 -52.66 -21.70 50.67 -52.28 -20.66 51.54 -52.47 -21.18 3 0 14.39 -999 ? C2 C8E C 209 >GLY^A 38 56.17 -54.24 -23.69 55.70 -54.84 -23.39 55.94 -54.54 -23.54 1 0 17.41 -999 ? C17 C8E A 209 >VAL^A 39 56.65 -57.17 -25.99 55.61 -57.72 -27.81 56.13 -57.44 -26.90 3 0 15.36 -999 ? O21 C8E A 209 >GLY^A 40 59.98 -58.78 -26.79 59.34 -59.26 -26.97 59.66 -59.02 -26.88 1 0 12.19 -999 ? O21 C8E A 209 >PHE^A 41 59.28 -60.72 -31.18 56.54 -60.21 -31.57 57.91 -60.47 -31.37 3 0 13.80 -999 ? O21 C8E A 209 >ALA^A 42 64.59 -62.72 -29.30 65.26 -62.49 -27.92 64.93 -62.60 -28.60 2 0 7.29 -999 ? O18 C8E A 209 >THR^A 43 66.48 -65.68 -30.63 67.85 -65.90 -32.25 67.17 -65.79 -31.44 2 0 9.02 -999 ? O18 C8E A 209 >SER.A 44 67.29 -68.39 -28.17 66.32 -69.65 -26.34 66.80 -69.02 -27.26 2 0 -2.67 -999 ? O21 C8E A 209s >ASP.A 45 70.45 -71.75 -27.39 71.06 -73.65 -26.89 70.75 -72.70 -27.14 2 0 -2.96 -999 ? CA CA A 208s >ALA.A 46 66.69 -74.67 -27.61 65.67 -75.06 -28.70 66.18 -74.86 -28.15 2 0 6.64 -999 ? CA CA A 208 >LEU.A 47 68.63 -79.08 -27.35 66.53 -79.28 -27.97 67.58 -79.18 -27.66 3 0 -6.16 -999 ? CA CA A 208s >ASP.A 48 72.05 -78.20 -23.17 73.82 -77.79 -22.11 72.93 -78.00 -22.64 2 0 7.38 -999 ? CA CA A 208 >ASP.A 49 75.72 -77.89 -27.98 74.67 -77.10 -29.65 75.19 -77.50 -28.81 2 0 -3.00 -999 ? CA CA A 208s >GLY.A 50 76.82 -80.20 -24.20 76.04 -80.34 -24.23 76.43 -80.27 -24.21 1 0 8.12 -999 ? CA CA A 208 >TYR.A 51 71.70 -83.21 -22.40 69.97 -85.02 -21.17 70.83 -84.12 -21.78 3 0 9.92 -999 ? O21 C8E A 210 >ASP.A 52 76.18 -86.89 -22.52 75.57 -87.62 -20.65 75.87 -87.26 -21.58 2 0 15.11 -999 ? CA CA A 208 >LEU.A 53 71.93 -88.29 -26.11 70.93 -86.53 -26.97 71.43 -87.41 -26.54 3 0 12.26 -999 ? CA CA A 208 >GLY.A 54 74.92 -91.60 -24.67 74.67 -91.35 -23.94 74.80 -91.48 -24.30 1 0 16.95 -999 ? CA CA A 208 >GLY.A 55 77.51 -92.52 -23.82 77.20 -91.97 -23.29 77.36 -92.24 -23.56 1 0 18.60 -999 ? CA CA A 208 >GLY.A 56 79.88 -89.58 -23.83 79.35 -89.78 -24.43 79.62 -89.68 -24.13 1 0 16.87 -999 ? CA CA A 208 >THR.A 57 78.12 -88.42 -27.00 77.65 -90.24 -28.10 77.89 -89.33 -27.55 2 0 15.79 -999 ? CA CA A 208 >THR~A 58 76.40 -85.04 -26.81 78.11 -83.80 -26.40 77.26 -84.42 -26.60 2 0 10.52 -999 ? CA CA A 208 >TRP~A 59 71.67 -80.29 -29.02 69.69 -82.14 -31.86 70.68 -81.22 -30.44 3 0 6.21 -999 ? CA CA A 208 >GLY~A 60 76.07 -81.13 -30.14 75.99 -81.96 -30.16 76.03 -81.54 -30.15 1 0 6.96 -999 ? CA CA A 208 >ASP~A 61 78.34 -85.42 -30.67 80.16 -84.92 -29.71 79.25 -85.17 -30.19 2 0 12.37 -999 ? CA CA A 208 >VAL~A 62 74.65 -85.86 -33.07 72.89 -86.37 -31.85 73.77 -86.11 -32.46 3 0 11.36 -999 ? CA CA A 208 >LYS~A 63 73.63 -82.49 -34.44 73.43 -77.00 -32.37 73.53 -79.74 -33.41 2 0 3.96 -999 ? CA CA A 208 >GLU~A 64 79.25 -82.11 -37.14 78.75 -80.37 -38.23 79.00 -81.24 -37.69 2 0 12.36 -999 ? CA CA A 208 >ALA~A 65 76.39 -86.17 -37.56 76.21 -87.29 -36.55 76.30 -86.73 -37.06 2 0 14.65 -999 ? CA CA A 208 >GLY~A 66 72.89 -85.69 -39.00 73.32 -85.02 -38.92 73.10 -85.36 -38.96 1 0 14.40 -999 ? CA CA A 208 >LYS~A 67 73.21 -82.07 -40.14 71.59 -78.49 -41.85 72.40 -80.28 -41.00 2 0 13.30 -999 ? CA CA A 208 >PHE.A 68 69.51 -83.16 -37.04 69.32 -85.92 -37.33 69.42 -84.54 -37.18 3 0 12.64 -999 ? CA CA A 208 >SER^A 69 69.09 -77.26 -37.91 68.86 -76.80 -40.31 68.97 -77.03 -39.11 2 0 11.97 -999 ? CA CA A 208 >GLU^A 70 68.79 -75.79 -31.87 70.14 -76.30 -30.27 69.46 -76.05 -31.07 2 0 -2.69 -999 ? CA CA A 208s >TRP^A 71 63.94 -74.90 -35.16 60.97 -73.12 -33.30 62.45 -74.01 -34.23 3 0 11.26 -999 ? CA CA A 208 >GLY^A 72 64.73 -71.23 -30.71 64.86 -70.64 -31.29 64.80 -70.93 -31.00 1 0 7.13 -999 ? O21 C8E A 209 >GLN^A 73 60.78 -68.53 -31.08 59.39 -67.69 -32.41 60.08 -68.11 -31.75 2 0 10.57 -999 ? O21 C8E A 209 >ASN^A 74 62.15 -65.86 -25.53 63.13 -67.52 -24.67 62.64 -66.69 -25.10 2 0 -3.00 -999 ? O21 C8E A 209s >VAL^A 75 58.31 -63.98 -26.96 56.88 -63.78 -28.61 57.59 -63.88 -27.78 3 0 10.27 -999 ? O21 C8E A 209 >THR^A 76 57.94 -62.04 -23.71 59.81 -62.01 -22.65 58.87 -62.03 -23.18 2 0 9.27 -999 ? O21 C8E A 209 >LEU^A 77 53.57 -60.43 -22.55 52.63 -60.94 -24.40 53.10 -60.68 -23.47 3 0 14.89 -999 ? C1 C8E C 209 >SER^A 78 55.97 -57.73 -19.67 57.70 -56.10 -19.98 56.83 -56.92 -19.82 2 0 13.83 -999 ? C1 C8E A 210 >LEU^A 79 53.15 -55.37 -16.69 51.92 -53.84 -15.78 52.53 -54.60 -16.24 3 0 9.76 -999 ? C2 C8E C 209 >ASP^A 80 58.12 -52.30 -15.93 59.10 -53.68 -17.13 58.61 -52.99 -16.53 2 0 12.60 -999 ? C1 C8E A 210 >VAL^A 81 56.11 -50.29 -12.59 54.75 -50.24 -10.87 55.43 -50.26 -11.73 3 0 11.87 -999 ? C2 C8E C 209 >LEU^A 82 59.00 -46.86 -14.13 59.29 -47.61 -16.11 59.15 -47.24 -15.12 3 0 16.79 -999 ? C1 C8E A 210 >TYR^A 83 59.25 -44.27 -7.74 58.41 -42.23 -6.03 58.83 -43.25 -6.89 3 0 -19.24 -999 ? C2 C8E C 209s >LYS.A 84 61.58 -41.74 -11.00 58.66 -39.80 -16.04 60.12 -40.77 -13.52 2 0 23.11 -999 ? C2 C8E C 209 >PRO.A 85 65.19 -41.90 -8.66 63.35 -40.62 -8.71 64.27 -41.26 -8.69 3 0 21.06 -999 ? C1 C8E A 210 >SER.A 86 63.25 -36.36 -7.87 60.84 -35.97 -7.64 62.05 -36.16 -7.76 2 0 26.41 -999 ? C2 C8E C 209 >GLY.A 87 66.10 -33.82 -7.71 66.06 -34.66 -7.90 66.08 -34.24 -7.81 1 0 26.96 -999 ? CA CA B 208 >LEU.A 88 68.49 -36.88 -10.66 67.13 -37.70 -12.18 67.81 -37.29 -11.42 3 0 25.49 -999 ? C19 C8E B 209 >GLY.A 89 70.25 -34.57 -9.81 70.82 -35.19 -9.83 70.54 -34.88 -9.82 1 0 22.69 -999 ? CA CA B 208 >LEU.A 90 71.65 -37.59 -13.06 73.17 -38.79 -12.06 72.41 -38.19 -12.56 3 0 21.33 -999 ? C19 C8E B 209 >PRO.A 91 73.76 -35.30 -16.66 71.57 -35.34 -16.11 72.67 -35.32 -16.39 3 0 18.72 -999 ? C19 C8E B 209 >VAL.A 92 70.02 -38.66 -17.26 71.83 -39.78 -17.57 70.93 -39.22 -17.42 3 0 21.10 -999 ? C19 C8E B 209 >GLU^A 93 64.33 -40.66 -16.04 62.38 -40.13 -16.70 63.36 -40.40 -16.37 2 0 23.51 -999 ? C1 C8E A 210 >VAL^A 94 67.15 -43.28 -14.02 69.00 -43.10 -12.90 68.08 -43.19 -13.46 3 0 20.22 -999 ? C1 C8E A 210 >PRO^A 96 64.09 -46.77 -9.22 64.32 -47.70 -11.21 64.20 -47.23 -10.22 3 0 15.14 -999 ? C1 C8E A 210 >TYR^A 97 61.97 -51.46 -14.47 63.57 -52.89 -16.21 62.77 -52.18 -15.34 3 0 11.99 -999 ? C1 C8E A 210 >PHE^A 98 58.55 -53.78 -9.03 56.20 -52.58 -8.10 57.38 -53.18 -8.57 3 0 10.84 -999 ? C1 C8E A 210 >GLY^A 99 57.59 -56.25 -12.88 58.07 -56.78 -12.60 57.83 -56.51 -12.74 1 0 9.17 -999 ? C1 C8E A 210 >VAL^A 100 55.82 -59.38 -13.97 53.67 -59.79 -13.91 54.74 -59.59 -13.94 3 0 8.33 -999 ? C1 C8E C 209 >ARG^A 101 59.10 -60.12 -16.06 60.30 -57.41 -15.78 59.70 -58.76 -15.92 2 0 8.92 -999 ? C1 C8E A 210 >TYR^A 102 52.54 -63.26 -18.57 51.08 -62.17 -16.42 51.81 -62.71 -17.50 3 0 9.25 -999 ? C1 C8E C 209 >ASN^A 103 58.51 -66.15 -21.33 59.95 -66.28 -22.87 59.23 -66.21 -22.10 2 0 6.31 -999 ? O21 C8E A 209 >PHE^A 104 54.10 -67.12 -25.17 51.89 -66.22 -23.71 53.00 -66.67 -24.44 3 0 12.68 -999 ? O21 C8E A 209 >PHE^A 105 61.29 -71.83 -24.77 63.18 -73.65 -25.72 62.23 -72.74 -25.25 3 0 4.85 -999 ? O21 C8E A 209 >SER^A 106 59.80 -72.53 -28.38 58.67 -71.24 -30.10 59.24 -71.89 -29.24 2 0 9.35 -999 ? O21 C8E A 209 >GLY^A 107 62.40 -74.29 -30.50 61.92 -74.87 -30.13 62.16 -74.58 -30.31 1 0 8.81 -999 ? O21 C8E A 209 >GLY^A 108 63.77 -77.60 -31.68 64.12 -76.93 -32.11 63.94 -77.27 -31.90 1 0 9.22 -999 ? CA CA A 208 >TYR^A 109 66.11 -81.19 -34.21 65.29 -83.76 -33.55 65.70 -82.47 -33.88 3 0 10.85 -999 ? CA CA A 208 >THR^A 110 64.57 -79.69 -38.47 64.29 -77.82 -39.49 64.43 -78.75 -38.98 2 0 13.46 -999 ? CA CA A 208 >ASP.A 111 65.36 -83.80 -40.24 66.17 -85.36 -41.35 65.76 -84.58 -40.80 2 0 17.05 -999 ? CA CA A 208 >PRO.A 112 67.87 -79.15 -42.38 66.91 -81.00 -43.22 67.39 -80.07 -42.80 3 0 15.43 -999 ? CA CA A 208 >GLU.A 113 67.94 -85.82 -46.11 66.40 -86.46 -44.83 67.17 -86.14 -45.47 2 0 20.24 -999 ? CA CA A 208 >ASP.A 114 71.50 -87.46 -45.26 70.62 -89.18 -46.15 71.06 -88.32 -45.71 2 0 22.11 -999 ? CA CA A 208 >ASN.A 115 70.48 -89.68 -41.10 71.99 -88.25 -40.64 71.24 -88.97 -40.87 2 0 17.38 -999 ? CA CA A 208 >LEU.A 116 66.94 -87.97 -38.60 66.23 -87.58 -36.63 66.59 -87.78 -37.61 3 0 16.15 -999 ? CA CA A 208 >THR.A 117 63.40 -90.39 -40.90 61.71 -90.63 -39.48 62.55 -90.51 -40.19 2 0 21.33 -999 ? CA CA A 208 >ILE.A 118 62.90 -86.55 -43.71 63.10 -86.88 -44.59 63.00 -86.71 -44.15 3 0 21.11 -999 ? CA CA A 208 >LYS.A 119 60.88 -84.29 -40.26 61.29 -87.76 -35.50 61.09 -86.03 -37.88 2 0 17.79 -999 ? CA CA A 208 >ALA^A 120 60.81 -81.68 -37.46 59.90 -80.57 -38.00 60.35 -81.13 -37.73 2 0 16.19 -999 ? CA CA A 208 >GLN^A 121 60.75 -83.64 -32.20 61.89 -85.33 -31.74 61.32 -84.48 -31.97 2 0 14.64 -999 ? CA CA A 208 >THR^A 122 59.48 -78.76 -31.56 58.50 -77.15 -32.63 58.99 -77.96 -32.10 2 0 13.62 -999 ? O21 C8E A 209 >ILE^A 123 60.37 -78.66 -26.95 61.02 -78.93 -25.94 60.69 -78.80 -26.45 3 0 9.25 -999 ? O21 C8E A 210 >SER^A 124 57.35 -75.30 -26.04 56.15 -74.57 -27.97 56.75 -74.93 -27.00 2 0 11.39 -999 ? O21 C8E A 209 >SER^A 125 56.95 -73.80 -22.57 57.82 -74.32 -20.36 57.39 -74.06 -21.47 2 0 8.08 -999 ? O21 C8E A 210 >ASN^A 126 53.38 -70.73 -21.66 52.86 -71.17 -23.66 53.12 -70.95 -22.66 2 0 12.66 -999 ? O21 C8E A 209 >GLN^A 127 58.17 -70.88 -18.63 60.26 -71.09 -18.40 59.21 -70.98 -18.51 2 0 6.45 -999 ? C19 C8E A 210 >LEU^A 128 54.27 -67.06 -14.56 53.44 -65.61 -13.18 53.85 -66.34 -13.87 3 0 9.71 -999 ? C1 C8E C 209 >GLY^A 129 58.31 -64.58 -14.62 57.65 -64.21 -14.49 57.98 -64.39 -14.55 1 0 7.87 -999 ? C1 C8E A 210 >LEU^A 130 59.29 -62.01 -10.76 57.44 -62.29 -9.70 58.37 -62.15 -10.23 3 0 5.05 -999 ? C1 C8E A 210 >GLY^A 131 62.01 -59.19 -12.67 61.45 -58.82 -12.27 61.73 -59.00 -12.47 1 0 5.02 -999 ? C1 C8E A 210 >LEU^A 132 64.80 -56.61 -10.52 64.08 -56.26 -8.61 64.44 -56.44 -9.57 3 0 6.01 -999 ? C1 C8E A 210 >GLY^A 133 65.83 -53.45 -13.52 65.37 -53.02 -13.01 65.60 -53.24 -13.27 1 0 10.29 -999 ? C1 C8E A 210 >VAL^A 134 66.85 -49.89 -14.22 68.83 -49.66 -13.28 67.84 -49.78 -13.75 3 0 14.15 -999 ? C1 C8E A 209 >ARG^A 135 62.45 -46.81 -18.85 61.41 -44.79 -20.90 61.93 -45.80 -19.88 2 0 21.29 -999 ? C1 C8E A 210 >ALA^A 136 67.89 -44.74 -18.16 69.42 -44.83 -18.22 68.65 -44.78 -18.19 2 0 18.84 -999 ? C1 C8E A 209 >ALA^A 137 66.42 -42.01 -20.39 64.95 -41.78 -20.29 65.68 -41.90 -20.34 2 0 23.51 -999 ? C1 C8E A 210 >TYR^A 138 70.50 -38.06 -22.60 71.93 -35.69 -22.96 71.22 -36.88 -22.78 3 0 19.17 -999 ? C16 C8E B 209 >PRO^A 139 66.00 -35.44 -21.74 66.75 -36.70 -23.43 66.38 -36.07 -22.59 3 0 23.82 -999 ? C19 C8E B 209 >LEU^A 140 67.79 -37.41 -28.28 69.56 -38.56 -28.36 68.68 -37.99 -28.32 3 0 22.16 -999 ? C16 C8E B 209 >MET^A 141 65.50 -34.09 -29.68 66.75 -35.91 -33.26 66.13 -35.00 -31.47 2 0 25.02 -999 ? C16 C8E B 209 >PRO.A 142 62.52 -31.12 -30.93 62.60 -32.90 -29.60 62.56 -32.01 -30.26 3 0 28.13 -999 ? C16 C8E B 209 >ASN.A 143 58.63 -35.72 -29.30 57.21 -34.21 -28.85 57.92 -34.97 -29.07 2 0 30.79 -999 ? C20 C8E C 210 >LEU^A 144 63.26 -38.20 -29.97 64.00 -39.75 -31.23 63.63 -38.98 -30.60 3 0 27.65 -999 ? C16 C8E B 209 >SER^A 145 64.96 -39.73 -25.95 63.25 -39.86 -24.22 64.10 -39.79 -25.09 2 0 27.15 -999 ? C1 C8E A 210 >LEU^A 146 69.19 -41.91 -25.87 70.50 -42.96 -27.19 69.85 -42.44 -26.53 3 0 22.15 -999 ? C16 C8E B 209 >VAL^A 147 66.77 -45.16 -23.58 64.72 -45.57 -23.13 65.74 -45.36 -23.36 3 0 21.31 -999 ? C1 C8E A 209 >GLY^A 148 69.03 -47.69 -21.86 68.24 -47.54 -21.53 68.64 -47.61 -21.70 1 0 17.63 -999 ? C1 C8E A 209 >ASP^A 149 66.40 -51.17 -20.74 65.06 -51.90 -19.38 65.73 -51.54 -20.06 2 0 14.85 -999 ? C1 C8E A 210 >LEU^A 150 70.74 -52.99 -17.26 72.14 -54.21 -16.15 71.44 -53.60 -16.71 3 0 9.76 -999 ? C1 C8E A 209 >GLY^A 151 67.42 -55.91 -15.92 67.92 -56.29 -16.40 67.67 -56.10 -16.16 1 0 9.44 -999 ? C2 C8E A 209 >VAL^A 152 67.24 -59.51 -14.71 68.94 -60.40 -13.59 68.09 -59.96 -14.15 3 0 5.71 -999 ? C2 C8E A 209 >ASP^A 153 63.37 -61.81 -16.17 62.75 -59.91 -16.84 63.06 -60.86 -16.51 2 0 8.28 -999 ? C1 C8E A 210 >TYR^A 154 63.59 -66.74 -11.40 63.46 -69.45 -10.84 63.52 -68.09 -11.12 3 0 -3.93 -999 ? C5 C8E A 210s >TYR^A 155 60.87 -66.67 -17.05 60.42 -64.37 -18.53 60.65 -65.52 -17.79 3 0 8.43 -999 ? C17 C8E A 209 >PHE.A 156 58.14 -69.33 -11.04 58.38 -67.44 -8.97 58.26 -68.38 -10.01 3 0 5.46 -999 ? C11 C8E A 210 >GLN.A 157 59.94 -75.54 -12.67 60.96 -77.21 -11.79 60.45 -76.38 -12.23 2 0 -3.54 -999 ? C13 C8E A 210s >ALA.A 158 56.38 -74.89 -16.34 55.90 -73.81 -17.22 56.14 -74.35 -16.78 2 0 8.30 -999 ? O15 C8E A 210 >CSS.A 159 55.11 -77.78 -18.45 52.83 -78.85 -17.20 53.97 -78.32 -17.82 2 0 11.95 -999 ? O15 C8E A 210 >PHE^A 160 59.20 -78.65 -21.19 61.28 -77.31 -20.00 60.24 -77.98 -20.60 3 0 5.84 -999 ? O21 C8E A 210 >THR^A 161 54.89 -79.58 -24.95 52.94 -78.87 -25.32 53.91 -79.23 -25.13 2 0 14.36 -999 ? O21 C8E A 210 >ARG^A 162 60.16 -83.54 -27.36 63.31 -83.18 -27.03 61.73 -83.36 -27.20 2 0 10.87 -999 ? O21 C8E A 210 >VAL^A 163 55.38 -81.89 -31.32 53.71 -80.68 -32.08 54.55 -81.29 -31.70 3 0 17.55 -999 ? O21 C8E A 210 >GLU^A 164 57.65 -86.15 -32.10 58.08 -88.26 -31.94 57.87 -87.20 -32.02 2 0 19.19 -999 ? O21 C8E A 210 >GLU^A 165 55.17 -82.77 -39.51 54.39 -80.85 -40.05 54.78 -81.81 -39.78 2 0 21.76 -999 ? CA CA A 208 >ASP.A 166 55.95 -88.25 -40.15 55.99 -89.39 -38.36 55.97 -88.82 -39.26 2 0 23.45 -999 ? CA CA A 208 >ASP.A 167 58.25 -87.45 -44.58 60.23 -87.13 -43.88 59.24 -87.29 -44.23 2 0 22.50 -999 ? CA CA A 208 >SER.A 168 53.74 -87.86 -44.66 54.17 -90.24 -44.48 53.95 -89.05 -44.57 2 0 28.11 -999 ? CA CA A 208 >GLY.A 169 52.65 -84.96 -42.48 52.65 -85.69 -42.13 52.65 -85.32 -42.30 1 0 25.70 -999 ? CA CA A 208 >ASN.A 170 51.62 -88.52 -39.42 50.91 -89.41 -41.21 51.26 -88.96 -40.31 2 0 28.35 -999 ? CA CA A 208 >LYS^A 171 51.77 -85.30 -36.11 51.41 -79.16 -37.75 51.59 -82.23 -36.93 2 0 22.02 -999 ? O21 C8E A 209 >SER^A 172 52.39 -86.47 -32.61 53.25 -88.25 -31.26 52.82 -87.36 -31.94 2 0 21.14 -999 ? O21 C8E A 210 >GLN^A 173 50.75 -82.80 -28.18 49.58 -81.03 -28.20 50.16 -81.91 -28.19 2 0 19.06 -999 ? O21 C8E A 210 >SER^A 174 52.92 -84.93 -25.72 55.12 -85.87 -26.20 54.02 -85.40 -25.96 2 0 15.95 -999 ? O21 C8E A 210 >SER^A 175 53.84 -83.01 -22.59 51.54 -82.77 -21.91 52.69 -82.89 -22.25 2 0 15.77 -999 ? O21 C8E A 210 >VAL^A 176 55.75 -83.41 -19.37 57.58 -84.52 -19.40 56.67 -83.96 -19.38 3 0 11.84 -999 ? O21 C8E A 210 >CSS.A 177 55.04 -81.52 -16.22 52.48 -80.85 -16.97 53.76 -81.18 -16.60 2 0 13.06 -999 ? O15 C8E A 210 >PRO.A 178 56.83 -78.52 -13.65 56.54 -80.76 -13.64 56.69 -79.64 -13.64 3 0 8.36 -999 ? C13 C8E A 210 >GLY.A 179 56.90 -83.40 -11.68 56.12 -83.64 -11.82 56.51 -83.52 -11.75 1 0 10.82 -999 ? C13 C8E A 210 >ASP.A 180 55.45 -86.10 -15.44 53.65 -85.04 -15.38 54.55 -85.57 -15.41 2 0 14.47 -999 ? O15 C8E A 210 >SER.A 181 58.57 -88.95 -14.85 59.28 -91.21 -15.34 58.92 -90.08 -15.09 2 0 16.72 -999 ? O21 C8E A 210 >GLY~A 182 61.11 -87.58 -17.26 60.59 -87.05 -16.97 60.85 -87.32 -17.12 1 0 12.38 -999 ? O21 C8E A 210 >TYR~A 183 59.65 -81.82 -15.52 59.58 -79.01 -15.74 59.61 -80.42 -15.63 3 0 7.18 -999 ? C16 C8E A 210 >GLU~A 184 63.73 -84.37 -12.45 63.45 -82.45 -11.70 63.59 -83.41 -12.07 2 0 7.72 -999 ? C16 C8E A 210 >ASP~A 185 65.81 -86.27 -18.22 66.54 -87.64 -16.78 66.17 -86.96 -17.50 2 0 11.73 -999 ? O21 C8E A 210 >VAL~A 186 63.83 -82.84 -20.23 61.86 -82.88 -21.10 62.85 -82.86 -20.66 3 0 7.40 -999 ? O21 C8E A 210 >ASN~A 187 63.91 -79.43 -16.81 63.89 -77.36 -16.28 63.90 -78.40 -16.54 2 0 -3.11 -999 ? O18 C8E A 210s >LYS~A 188 68.32 -80.18 -18.11 71.95 -84.24 -15.84 70.13 -82.21 -16.97 2 0 10.77 -999 ? C20 C8E A 210 >PHE~A 189 68.20 -82.10 -23.88 68.92 -82.62 -26.53 68.56 -82.36 -25.21 3 0 8.72 -999 ? CA CA A 208 >VAL~A 190 65.92 -77.91 -22.89 63.79 -78.15 -23.56 64.85 -78.03 -23.23 3 0 4.63 -999 ? O21 C8E A 210 >THR.A 191 67.24 -74.39 -22.77 69.05 -73.78 -23.78 68.14 -74.08 -23.28 2 0 -4.98 -999 ? C19 C8E A 209s >GLN.A 192 62.30 -73.12 -20.03 63.16 -74.67 -18.84 62.73 -73.89 -19.44 2 0 2.85 -999 ? O21 C8E A 210s >PRO.A 193 62.99 -68.36 -21.23 64.14 -69.92 -20.16 63.57 -69.14 -20.70 3 0 -3.59 -999 ? C20 C8E A 209s >GLU.A 194 66.12 -70.72 -14.05 67.03 -72.48 -13.31 66.58 -71.60 -13.68 2 0 3.11 -999 ? C17 C8E A 210s >TRP^A 195 68.76 -68.24 -12.51 67.44 -65.53 -9.97 68.10 -66.88 -11.24 3 0 -4.38 -999 ? C5 C8E A 209s >VAL^A 196 67.64 -63.89 -17.99 66.16 -64.18 -19.64 66.90 -64.04 -18.82 3 0 4.55 -999 ? C17 C8E A 209 >LEU^A 197 71.44 -60.94 -18.48 72.85 -59.47 -17.78 72.15 -60.21 -18.13 3 0 5.24 -999 ? C1 C8E A 209 >LYS^A 198 68.28 -58.05 -20.21 63.11 -55.44 -18.88 65.70 -56.75 -19.55 2 0 12.09 -999 ? C1 C8E A 210 >LEU^A 199 71.88 -55.87 -21.82 73.59 -54.65 -21.37 72.73 -55.26 -21.59 3 0 10.78 -999 ? C1 C8E A 209 >ARG^A 200 65.38 -54.68 -25.12 63.65 -56.91 -23.89 64.52 -55.80 -24.51 2 0 11.17 -999 ? C17 C8E A 209 >LEU^A 201 70.74 -49.29 -26.93 72.59 -49.03 -25.81 71.67 -49.16 -26.37 3 0 18.54 -999 ? C1 C8E A 209 >GLY^A 202 66.56 -47.95 -27.86 66.94 -47.39 -27.39 66.75 -47.67 -27.63 1 0 20.08 -999 ? C17 C8E A 209 >ALA^A 203 64.54 -44.79 -28.25 64.77 -44.19 -29.63 64.66 -44.49 -28.94 2 0 24.35 -999 ? C17 C8E A 209 >ALA^A 204 61.22 -43.46 -27.01 60.98 -43.47 -25.53 61.10 -43.46 -26.27 2 0 24.86 -999 ? C17 C8E A 209 >TYR^A 205 57.96 -40.35 -31.16 56.81 -38.18 -32.51 57.38 -39.27 -31.83 3 0 30.20 -999 ? C20 C8E C 210 >ARG^A 206 56.35 -36.42 -23.90 57.63 -37.98 -21.56 56.99 -37.20 -22.73 2 0 26.36 -999 ? C2 C8E C 209 >PHE^A 207 52.34 -39.83 -28.86 51.95 -42.56 -28.85 52.14 -41.19 -28.85 3 0 23.94 -999 ? C20 C8E C 210 >HIS.B 0 70.48 -35.36 -55.71 72.36 -34.80 -54.96 71.42 -35.08 -55.34 3 0 33.03 -999 ? C1 C8E B 210 >ALA.B 1 67.07 -39.13 -54.53 66.87 -40.39 -55.35 66.97 -39.76 -54.94 2 0 38.55 -999 ? C1 C8E B 210 >ALA.B 2 69.72 -38.60 -51.81 70.83 -37.58 -51.87 70.27 -38.09 -51.84 2 0 32.73 -999 ? C1 C8E B 210 >LYS^B 3 68.65 -39.32 -48.24 67.06 -43.09 -50.47 67.85 -41.21 -49.36 2 0 35.51 -999 ? O15 C8E B 209 >PHE^B 4 69.58 -34.85 -47.09 70.86 -34.01 -49.45 70.22 -34.43 -48.27 3 0 30.68 -999 ? O15 C8E B 209 >SER^B 5 68.96 -37.45 -41.77 69.21 -39.86 -42.14 69.09 -38.66 -41.96 2 0 27.72 -999 ? O15 C8E B 209 >VAL^B 6 69.31 -35.26 -38.72 68.34 -33.48 -38.01 68.82 -34.37 -38.37 3 0 25.37 -999 ? O15 C8E B 209 >GLU^B 7 73.39 -38.66 -35.65 75.17 -39.55 -36.49 74.28 -39.10 -36.07 2 0 19.70 -999 ? O15 C8E B 209 >ALA^B 8 71.81 -36.32 -32.47 70.60 -35.68 -31.80 71.21 -36.00 -32.13 2 0 20.90 -999 ? C16 C8E B 209 >GLY^B 9 74.15 -37.97 -30.01 74.20 -37.18 -29.91 74.18 -37.57 -29.96 1 0 17.41 -999 ? C16 C8E B 209 >ALA^B 10 75.45 -37.67 -26.46 74.31 -37.81 -25.41 74.88 -37.74 -25.93 2 0 16.31 -999 ? C16 C8E B 209 >GLY^B 11 78.59 -39.04 -24.96 78.74 -38.24 -25.03 78.66 -38.64 -24.99 1 0 12.70 -999 ? C16 C8E B 209 >PHE^B 12 84.38 -39.21 -23.20 86.71 -38.33 -21.97 85.54 -38.77 -22.58 3 0 7.11 -999 ? C16 C8E B 209 >TYR^B 13 84.65 -34.92 -28.70 86.28 -34.17 -30.84 85.46 -34.54 -29.77 3 0 6.78 -999 ? O15 C8E B 209 >GLY.B 14 87.36 -35.68 -24.06 86.56 -35.48 -24.06 86.96 -35.58 -24.06 1 0 -3.42 -999 ? C16 C8E B 209s >GLY.B 15 84.63 -34.31 -21.87 84.45 -35.02 -22.31 84.54 -34.66 -22.09 1 0 5.95 -999 ? C19 C8E B 209 >PHE^B 16 80.83 -36.54 -19.88 82.09 -38.77 -18.74 81.46 -37.66 -19.31 3 0 10.76 -999 ? C16 C8E B 209 >GLY^B 17 78.40 -33.46 -24.16 78.51 -34.26 -24.36 78.46 -33.86 -24.26 1 0 11.57 -999 ? C19 C8E B 209 >GLY^B 18 77.02 -34.15 -27.57 77.48 -33.52 -27.66 77.25 -33.84 -27.62 1 0 13.41 -999 ? C16 C8E B 209 >GLN^B 19 77.54 -34.58 -33.49 79.23 -35.13 -34.67 78.39 -34.85 -34.08 2 0 14.72 -999 ? O15 C8E B 209 >LEU^B 20 73.38 -31.17 -33.46 71.23 -31.17 -33.54 72.30 -31.17 -33.50 3 0 20.07 -999 ? C16 C8E B 209 >ALA^B 21 74.65 -33.46 -37.41 75.65 -34.62 -37.46 75.15 -34.04 -37.43 2 0 19.24 -999 ? O15 C8E B 209 >VAL^B 22 73.23 -33.83 -40.83 72.09 -32.38 -42.01 72.66 -33.11 -41.42 3 0 24.13 -999 ? O15 C8E B 209 >VAL^B 23 74.07 -37.06 -42.67 74.51 -38.99 -41.68 74.29 -38.02 -42.17 3 0 23.71 -999 ? O15 C8E B 209 >ALA^B 24 73.67 -37.41 -46.46 74.16 -36.22 -47.31 73.92 -36.82 -46.88 2 0 27.50 -999 ? O15 C8E B 209 >GLU^B 25 73.50 -42.12 -45.68 71.97 -42.23 -44.24 72.74 -42.18 -44.96 2 0 27.65 -999 ? O15 C8E B 209 >ASP.B 26 71.92 -43.11 -51.36 71.95 -45.06 -50.50 71.94 -44.08 -50.93 2 0 33.07 -999 ? O15 C8E B 209 >LEU.B 27 75.94 -38.69 -52.71 76.39 -37.35 -51.06 76.17 -38.02 -51.88 3 0 28.69 -999 ? C1 C8E B 210 >ALA.B 28 75.06 -40.81 -56.49 76.45 -40.92 -57.07 75.75 -40.86 -56.78 2 0 32.61 -999 ? C1 C8E B 210 >PRO.B 29 73.30 -42.35 -60.06 73.66 -43.19 -58.00 73.48 -42.77 -59.03 3 0 36.60 -999 ? C1 C8E B 210 >GLY.B 30 76.03 -46.45 -57.44 76.20 -45.73 -57.14 76.11 -46.09 -57.29 1 0 36.07 -999 ? C1 C8E B 210 >LEU.B 31 78.59 -43.03 -55.33 80.56 -42.23 -54.98 79.58 -42.63 -55.15 3 0 30.46 -999 ? C1 C8E B 210 >PRO.B 32 80.36 -47.37 -52.88 79.00 -45.69 -52.26 79.68 -46.53 -52.57 3 0 31.54 -999 ? C1 C8E B 210 >LEU^B 33 80.23 -41.46 -50.96 82.25 -40.92 -50.33 81.24 -41.19 -50.64 3 0 26.24 -999 ? C1 C8E B 210 >GLY^B 34 77.89 -40.59 -47.26 78.78 -40.41 -47.34 78.34 -40.50 -47.30 1 0 26.08 -999 ? O15 C8E B 209 >VAL^B 35 78.88 -37.40 -45.53 79.03 -35.77 -47.03 78.95 -36.58 -46.28 3 0 23.51 -999 ? C1 C8E B 210 >ARG^B 36 77.67 -37.50 -38.51 79.47 -39.58 -37.24 78.57 -38.54 -37.88 2 0 17.08 -999 ? O15 C8E B 209 >LEU^B 37 78.21 -31.47 -42.04 79.02 -29.38 -41.96 78.62 -30.43 -42.00 3 0 20.28 -999 ? C1 C8E B 210 >GLY^B 38 78.31 -32.08 -37.28 78.82 -31.54 -37.56 78.57 -31.81 -37.42 1 0 17.30 -999 ? O15 C8E B 209 >VAL^B 39 78.58 -29.46 -34.61 77.54 -27.66 -34.03 78.06 -28.56 -34.32 3 0 15.93 -999 ? C20 C8E B 209 >GLY^B 40 79.65 -30.64 -31.14 79.77 -29.85 -31.21 79.71 -30.24 -31.17 1 0 12.62 -999 ? C20 C8E B 209 >PHE^B 41 78.91 -27.63 -25.83 79.60 -26.32 -23.43 79.25 -26.98 -24.63 3 0 11.29 -999 ? C20 C8E B 209 >ALA^B 42 81.57 -30.84 -24.70 82.39 -32.04 -25.12 81.98 -31.44 -24.91 2 0 7.68 -999 ? C19 C8E B 209 >THR^B 43 82.82 -29.73 -21.27 81.56 -30.56 -19.69 82.19 -30.15 -20.48 2 0 8.90 -999 ? C19 C8E B 209 >SER.B 44 86.51 -29.99 -20.81 88.33 -29.21 -22.26 87.42 -29.60 -21.54 2 0 -2.63 -999 ? C20 C8E B 209s >ASP.B 45 90.60 -30.65 -18.50 91.26 -30.99 -16.60 90.93 -30.82 -17.55 2 0 -3.07 -999 ? CA CA B 208s >ALA.B 46 91.46 -26.30 -19.06 90.82 -24.97 -18.73 91.14 -25.63 -18.90 2 0 6.22 -999 ? CA CA B 208 >LEU.B 47 94.70 -25.22 -15.81 94.48 -23.30 -16.95 94.59 -24.26 -16.38 3 0 -6.00 -999 ? CA CA B 208s >ASP.B 48 97.60 -30.12 -16.68 98.20 -32.01 -15.99 97.90 -31.07 -16.33 2 0 7.20 -999 ? CA CA B 208 >ASP.B 49 94.52 -28.97 -11.62 93.03 -30.41 -11.73 93.78 -29.69 -11.67 2 0 -3.05 -999 ? CA CA B 208s >GLY.B 50 98.40 -30.11 -10.96 98.47 -30.73 -11.53 98.43 -30.42 -11.24 1 0 7.39 -999 ? CA CA B 208 >TYR.B 51 102.03 -27.53 -15.19 104.12 -26.16 -16.40 103.07 -26.85 -15.80 3 0 9.95 -999 ? O21 C8E B 210 >ASP.B 52 105.61 -28.95 -11.53 106.78 -28.70 -9.81 106.20 -28.83 -10.67 2 0 15.59 -999 ? CA CA B 208 >LEU.B 53 103.25 -23.70 -10.31 101.33 -23.24 -11.26 102.29 -23.47 -10.78 3 0 12.38 -999 ? CA CA B 208 >GLY.B 54 106.87 -24.33 -7.76 107.09 -24.85 -8.29 106.98 -24.59 -8.03 1 0 17.06 -999 ? CA CA B 208 >GLY.B 55 107.85 -25.69 -5.54 108.01 -26.37 -6.04 107.93 -26.03 -5.79 1 0 18.54 -999 ? CA CA B 208 >GLY.B 56 106.55 -29.12 -6.42 106.14 -28.36 -6.30 106.34 -28.74 -6.36 1 0 16.66 -999 ? CA CA B 208 >THR.B 57 103.33 -27.21 -5.87 103.96 -25.48 -4.75 103.65 -26.34 -5.31 2 0 15.82 -999 ? CA CA B 208 >THR~B 58 100.65 -27.90 -8.43 100.12 -29.92 -7.97 100.38 -28.91 -8.20 2 0 10.41 -999 ? CA CA B 208 >TRP~B 59 95.08 -26.15 -12.40 94.38 -22.43 -11.38 94.73 -24.29 -11.89 3 0 6.11 -999 ? CA CA B 208 >GLY~B 60 95.52 -28.35 -8.17 96.08 -27.79 -7.92 95.80 -28.07 -8.05 1 0 7.13 -999 ? CA CA B 208 >ASP~B 61 98.68 -27.22 -4.60 99.30 -29.23 -4.23 98.99 -28.22 -4.41 2 0 12.48 -999 ? CA CA B 208 >VAL~B 62 96.64 -23.36 -5.64 97.72 -22.47 -7.35 97.18 -22.92 -6.50 3 0 11.27 -999 ? CA CA B 208 >LYS~B 63 93.18 -23.71 -7.17 90.77 -27.85 -10.83 91.98 -25.78 -9.00 2 0 3.79 -999 ? CA CA B 208 >GLU~B 64 92.75 -26.79 -1.73 90.87 -27.74 -1.56 91.81 -27.26 -1.64 2 0 12.78 -999 ? CA CA B 208 >ALA~B 65 94.01 -22.60 -1.56 95.53 -22.30 -1.57 94.77 -22.45 -1.57 2 0 14.85 -999 ? CA CA B 208 >GLY~B 66 92.54 -19.82 -3.71 92.06 -20.48 -3.56 92.30 -20.15 -3.64 1 0 14.07 -999 ? CA CA B 208 >LYS~B 67 89.12 -21.41 -4.23 87.66 -21.56 1.71 88.39 -21.48 -1.26 2 0 18.13 -999 ? CA CA B 208 >PHE.B 68 91.51 -19.54 -8.10 93.32 -17.88 -6.80 92.42 -18.71 -7.45 3 0 12.45 -999 ? CA CA B 208 >SER^B 69 86.53 -22.01 -10.29 84.57 -20.83 -9.39 85.55 -21.42 -9.84 2 0 12.05 -999 ? CA CA B 208 >GLU^B 70 89.83 -24.96 -14.47 91.03 -26.69 -14.39 90.43 -25.83 -14.43 2 0 -2.58 -999 ? CA CA B 208s >TRP^B 71 86.05 -20.83 -16.48 85.77 -20.27 -20.38 85.91 -20.55 -18.43 3 0 11.25 -999 ? CA CA B 208 >GLY^B 72 86.64 -25.55 -20.04 85.82 -25.67 -19.86 86.23 -25.61 -19.95 1 0 7.04 -999 ? C20 C8E B 209 >GLN^B 73 83.87 -24.06 -23.73 82.10 -22.98 -24.12 82.98 -23.52 -23.93 2 0 10.80 -999 ? C20 C8E B 209 >ASN^B 74 85.94 -28.94 -27.06 87.84 -29.20 -26.13 86.89 -29.07 -26.59 2 0 -3.28 -999 ? C20 C8E B 209s >VAL^B 75 82.95 -26.54 -29.63 81.51 -24.87 -29.78 82.23 -25.71 -29.71 3 0 10.73 -999 ? C20 C8E B 209 >THR^B 76 83.69 -28.69 -32.73 84.72 -30.51 -32.17 84.21 -29.60 -32.45 2 0 9.75 -999 ? O21 C8E B 209 >LEU^B 77 83.05 -27.61 -37.53 82.30 -25.64 -37.43 82.68 -26.63 -37.48 3 0 15.22 -999 ? C1 C8E B 210 >SER^B 78 83.33 -32.12 -37.91 83.81 -34.26 -36.79 83.57 -33.19 -37.35 2 0 13.33 -999 ? O15 C8E B 209 >LEU^B 79 83.57 -32.27 -42.66 82.79 -32.39 -44.72 83.18 -32.33 -43.69 3 0 17.22 -999 ? C1 C8E B 210 >ASP^B 80 82.56 -37.87 -41.00 82.97 -37.16 -39.06 82.76 -37.52 -40.03 2 0 15.94 -999 ? O15 C8E B 209 >VAL^B 81 83.36 -39.09 -45.25 84.59 -38.82 -47.03 83.97 -38.96 -46.14 3 0 21.13 -999 ? C1 C8E B 210 >LEU^B 82 80.08 -42.29 -43.96 79.29 -41.33 -42.23 79.68 -41.81 -43.10 3 0 22.11 -999 ? O15 C8E B 209 >TYR^B 83 84.86 -45.84 -46.52 87.07 -46.60 -44.97 85.96 -46.22 -45.75 3 0 23.90 -999 ? C1 C8E B 209 >LYS.B 84 79.44 -47.69 -46.65 75.97 -44.45 -44.18 77.70 -46.07 -45.41 2 0 25.86 -999 ? O15 C8E B 209 >PRO.B 85 78.10 -51.16 -44.56 79.61 -50.80 -46.15 78.85 -50.98 -45.36 3 0 28.49 -999 ? O15 C8E B 209 >LEU.B 90 75.33 -58.05 -42.68 76.99 -59.08 -43.69 76.16 -58.57 -43.19 3 0 22.41 -999 ? CA CA A 208 >PRO.B 91 71.94 -58.86 -38.72 72.45 -57.02 -39.89 72.20 -57.94 -39.30 3 0 19.12 -999 ? O18 C8E A 209 >VAL.B 92 73.51 -53.72 -38.04 74.89 -53.45 -36.32 74.20 -53.58 -37.18 3 0 20.66 -999 ? O18 C8E A 209 >GLU^B 93 75.25 -49.35 -42.08 74.13 -47.63 -42.56 74.69 -48.49 -42.32 2 0 27.23 -999 ? O15 C8E B 209 >VAL^B 94 78.72 -50.26 -39.56 79.66 -51.97 -38.65 79.19 -51.11 -39.11 3 0 24.44 -999 ? O15 C8E B 209 >ALA^B 95 80.64 -47.79 -41.68 79.75 -46.77 -42.37 80.19 -47.28 -42.02 2 0 23.65 -999 ? O15 C8E B 209 >PRO^B 96 84.77 -48.46 -42.66 83.62 -47.04 -41.32 84.19 -47.75 -41.99 3 0 22.26 -999 ? O15 C8E B 209 >TYR^B 97 83.74 -41.85 -39.80 83.62 -41.42 -37.05 83.68 -41.63 -38.42 3 0 16.46 -999 ? O15 C8E B 209 >PHE^B 98 88.93 -40.28 -43.85 88.97 -39.56 -46.61 88.95 -39.92 -45.23 3 0 18.60 -999 ? C8 C8E B 210 >GLY^B 99 87.39 -36.60 -41.81 87.99 -36.73 -41.30 87.69 -36.67 -41.56 1 0 15.92 -999 ? C1 C8E B 210 >VAL^B 100 88.50 -33.08 -41.00 88.21 -31.27 -42.30 88.36 -32.17 -41.65 3 0 12.29 -999 ? C1 C8E B 210 >ARG^B 101 87.52 -34.18 -37.50 85.80 -36.55 -38.16 86.66 -35.36 -37.83 2 0 13.86 -999 ? O15 C8E B 209 >TYR^B 102 88.26 -25.14 -37.39 89.63 -22.79 -36.84 88.94 -23.97 -37.12 3 0 9.00 -999 ? C1 C8E B 210 >ASN^B 103 88.46 -28.09 -32.02 87.63 -28.23 -30.06 88.05 -28.16 -31.04 2 0 6.73 -999 ? O21 C8E B 209 >PHE^B 104 85.81 -22.57 -32.36 85.48 -21.80 -35.06 85.64 -22.19 -33.71 3 0 13.28 -999 ? C1 C8E B 210 >PHE^B 105 90.70 -25.26 -25.77 91.65 -25.28 -23.14 91.18 -25.27 -24.45 3 0 5.21 -999 ? C20 C8E B 209 >SER^B 106 88.28 -22.25 -24.42 86.10 -21.26 -24.48 87.19 -21.75 -24.45 2 0 9.90 -999 ? C20 C8E B 209 >GLY^B 107 88.75 -22.32 -20.64 89.23 -21.73 -20.93 88.99 -22.02 -20.78 1 0 8.76 -999 ? C20 C8E B 209 >GLY^B 108 90.48 -20.92 -17.58 89.78 -21.35 -17.37 90.13 -21.14 -17.47 1 0 8.97 -999 ? CA CA B 208 >TYR^B 109 91.74 -19.55 -12.92 94.01 -17.92 -12.82 92.88 -18.74 -12.87 3 0 10.54 -999 ? CA CA B 208 >THR^B 110 87.52 -17.28 -12.27 85.40 -17.48 -12.64 86.46 -17.38 -12.45 2 0 13.41 -999 ? CA CA B 208 >ASP.B 111 89.21 -14.92 -8.80 89.40 -13.99 -6.98 89.31 -14.45 -7.89 2 0 16.97 -999 ? CA CA B 208 >PRO.B 112 85.03 -18.49 -7.40 85.43 -16.28 -7.26 85.23 -17.39 -7.33 3 0 15.14 -999 ? CA CA B 208 >GLU.B 113 86.78 -12.34 -3.10 88.60 -11.66 -4.00 87.69 -12.00 -3.55 2 0 20.51 -999 ? CA CA B 208 >ASP.B 114 88.69 -13.97 -0.41 89.97 -12.27 -0.12 89.33 -13.12 -0.27 2 0 22.07 -999 ? CA CA B 208 >ASN.B 115 92.58 -14.49 -1.90 92.83 -16.48 -2.65 92.71 -15.49 -2.28 2 0 17.18 -999 ? CA CA B 208 >LEU.B 116 93.01 -14.13 -7.42 94.62 -14.92 -8.59 93.81 -14.53 -8.00 3 0 16.00 -999 ? CA CA B 208 >THR.B 117 93.17 -9.31 -6.81 94.03 -8.66 -8.75 93.60 -8.98 -7.78 2 0 21.30 -999 ? CA CA B 208 >ILE.B 118 88.36 -9.84 -7.39 88.01 -9.59 -6.56 88.19 -9.71 -6.98 3 0 21.05 -999 ? CA CA B 208 >LYS.B 119 89.22 -11.21 -11.71 95.34 -11.17 -12.31 92.28 -11.19 -12.01 2 0 18.40 -999 ? CA CA B 208 >ALA^B 120 89.14 -13.81 -14.52 87.79 -13.74 -15.22 88.47 -13.78 -14.87 2 0 15.95 -999 ? CA CA B 208 >GLN^B 121 94.24 -15.87 -16.30 94.94 -13.97 -15.73 94.59 -14.92 -16.02 2 0 15.56 -999 ? CA CA B 208 >THR^B 122 90.88 -17.14 -20.14 88.92 -16.94 -20.94 89.90 -17.04 -20.54 2 0 13.77 -999 ? C20 C8E B 209 >ILE^B 123 93.65 -20.53 -22.06 95.00 -20.89 -21.43 94.33 -20.71 -21.74 3 0 9.31 -999 ? O21 C8E B 210 >SER^B 124 91.65 -20.05 -26.20 89.80 -18.42 -26.25 90.73 -19.23 -26.23 2 0 12.13 -999 ? C20 C8E B 209 >SER^B 125 92.94 -22.19 -29.04 94.91 -23.58 -29.43 93.92 -22.89 -29.23 2 0 8.02 -999 ? O21 C8E B 210 >ASN^B 126 90.80 -21.61 -33.24 89.51 -20.33 -32.18 90.15 -20.97 -32.71 2 0 11.28 -999 ? C1 C8E B 210 >GLN^B 127 93.80 -26.33 -31.82 94.37 -27.88 -30.49 94.08 -27.11 -31.15 2 0 6.79 -999 ? C20 C8E B 210 >LEU^B 128 93.21 -27.52 -38.58 92.87 -28.17 -40.64 93.04 -27.85 -39.61 3 0 5.68 -999 ? C1 C8E B 210 >GLY^B 129 92.24 -31.68 -37.02 91.94 -31.53 -37.72 92.09 -31.61 -37.37 1 0 8.67 -999 ? C1 C8E B 210 >LEU^B 130 93.49 -35.59 -38.95 93.86 -35.81 -41.00 93.67 -35.70 -39.98 3 0 10.43 -999 ? C8 C8E B 210 >GLY^B 131 90.09 -38.16 -37.33 90.11 -38.23 -38.14 90.10 -38.20 -37.74 1 0 12.30 -999 ? C13 C8E B 209 >LEU^B 132 89.72 -42.61 -38.67 91.33 -43.84 -37.88 90.52 -43.23 -38.27 3 0 15.23 -999 ? C3 C8E B 209 >GLY^B 133 86.08 -43.87 -36.38 86.09 -44.05 -37.22 86.09 -43.96 -36.80 1 0 15.21 -999 ? O15 C8E B 209 >VAL^B 134 83.19 -46.23 -37.05 83.91 -48.21 -36.40 83.55 -47.22 -36.73 3 0 18.50 -999 ? O15 C8E B 209 >ARG^B 135 77.46 -42.45 -38.74 74.50 -42.61 -39.42 75.98 -42.53 -39.08 2 0 22.88 -999 ? O15 C8E B 209 >ALA^B 136 76.87 -47.95 -36.51 77.18 -48.96 -35.45 77.03 -48.46 -35.98 2 0 22.19 -999 ? O15 C8E B 209 >ALA^B 137 73.22 -47.55 -37.42 72.92 -46.75 -38.62 73.07 -47.15 -38.02 2 0 25.29 -999 ? O15 C8E B 209 >TYR^B 138 69.87 -51.92 -34.99 68.26 -54.21 -34.65 69.07 -53.07 -34.82 3 0 18.52 -999 ? O18 C8E A 209 >PRO^B 139 67.69 -50.23 -39.66 67.47 -49.67 -37.51 67.58 -49.95 -38.58 3 0 23.28 -999 ? O18 C8E A 209 >LEU^B 140 64.80 -48.02 -33.97 65.70 -48.53 -32.14 65.25 -48.28 -33.06 3 0 21.75 -999 ? O18 C8E A 209 >MET^B 141 60.94 -47.49 -35.92 59.87 -45.86 -32.20 60.40 -46.67 -34.06 2 0 24.76 -999 ? O18 C8E A 209 >PRO.B 142 57.74 -46.81 -38.90 59.89 -46.30 -38.59 58.81 -46.56 -38.74 3 0 27.56 -999 ? O18 C8E A 209 >ASN.B 143 61.43 -41.97 -40.31 60.77 -41.84 -42.32 61.10 -41.90 -41.32 2 0 32.74 -999 ? O18 C8E A 209 >LEU^B 144 63.34 -43.54 -35.61 63.92 -42.46 -33.82 63.63 -43.00 -34.72 3 0 27.40 -999 ? O18 C8E A 209 >SER^B 145 67.49 -45.58 -36.35 68.68 -44.91 -38.37 68.08 -45.24 -37.36 2 0 27.20 -999 ? O18 C8E A 209 >LEU^B 146 69.79 -47.10 -32.54 69.72 -47.32 -30.45 69.76 -47.21 -31.49 3 0 22.01 -999 ? O18 C8E A 209 >VAL^B 147 73.43 -44.63 -34.00 73.71 -43.11 -35.55 73.57 -43.87 -34.77 3 0 21.61 -999 ? O15 C8E B 209 >GLY^B 148 76.61 -45.51 -32.17 76.71 -45.21 -33.00 76.66 -45.36 -32.58 1 0 19.08 -999 ? O15 C8E B 209 >ASP^B 149 79.48 -42.39 -33.32 81.04 -41.48 -34.38 80.26 -41.93 -33.85 2 0 14.91 -999 ? O15 C8E B 209 >LEU^B 150 83.61 -46.01 -31.46 85.13 -46.92 -30.25 84.37 -46.46 -30.86 3 0 14.60 -999 ? O15 C8E B 209 >GLY^B 151 86.36 -42.67 -33.06 86.31 -42.52 -32.28 86.33 -42.59 -32.67 1 0 12.05 -999 ? O15 C8E B 209 >VAL^B 152 89.63 -40.94 -32.34 91.60 -41.81 -32.43 90.61 -41.37 -32.38 3 0 9.88 -999 ? C13 C8E B 209 >ASP^B 153 89.74 -36.17 -33.46 87.76 -36.55 -34.22 88.75 -36.36 -33.84 2 0 9.57 -999 ? O15 C8E B 209 >TYR^B 154 96.51 -35.71 -33.91 98.87 -34.53 -33.06 97.69 -35.12 -33.49 3 0 5.13 -999 ? C1 C8E B 209s >TYR^B 155 92.02 -31.30 -32.58 89.26 -31.61 -33.00 90.64 -31.46 -32.79 3 0 7.60 -999 ? C13 C8E B 209 >PHE.B 156 97.55 -30.56 -36.92 97.30 -32.59 -38.80 97.43 -31.58 -37.86 3 0 -4.90 -999 ? C8 C8E B 210s >GLN.B 157 100.90 -28.16 -30.62 102.98 -28.51 -30.67 101.94 -28.33 -30.64 2 0 -3.32 -999 ? O12 C8E B 210s >ALA.B 158 97.94 -23.77 -32.61 96.50 -23.63 -32.93 97.22 -23.70 -32.77 2 0 4.91 -999 ? C2 C8E B 210 >CSS.B 159 98.30 -20.33 -31.08 99.51 -18.35 -32.60 98.91 -19.34 -31.84 2 0 7.79 -999 ? C2 C8E B 210 >PHE^B 160 97.82 -21.95 -26.27 98.06 -24.71 -26.08 97.94 -23.33 -26.17 3 0 5.74 -999 ? O21 C8E B 210 >THR^B 161 95.26 -16.61 -26.72 94.31 -15.20 -28.05 94.78 -15.91 -27.38 2 0 13.87 -999 ? C2 C8E B 210 >ARG^B 162 96.21 -15.01 -19.71 98.63 -13.28 -19.03 97.42 -14.15 -19.37 2 0 16.35 -999 ? O21 C8E B 210 >VAL^B 163 92.56 -12.74 -21.97 90.96 -11.79 -23.07 91.76 -12.27 -22.52 3 0 17.81 -999 ? O21 C8E B 210 >GLU^B 164 94.70 -10.70 -16.52 96.59 -9.81 -16.07 95.65 -10.25 -16.29 2 0 19.99 -999 ? CA CA B 208 >GLU^B 165 88.15 -8.84 -16.79 86.14 -9.46 -16.74 87.15 -9.15 -16.76 2 0 20.64 -999 ? CA CA B 208 >ASP.B 166 91.14 -5.33 -14.11 93.17 -5.00 -14.63 92.15 -5.16 -14.37 2 0 24.17 -999 ? CA CA B 208 >ASP.B 167 88.92 -5.85 -9.56 88.92 -7.42 -8.19 88.92 -6.63 -8.88 2 0 22.72 -999 ? CA CA B 208 >SER.B 168 87.65 -2.97 -12.63 88.84 -1.07 -11.63 88.25 -2.02 -12.13 2 0 28.34 -999 ? CA CA B 208 >GLY.B 169 86.73 -5.09 -15.65 87.44 -4.74 -15.70 87.08 -4.91 -15.68 1 0 24.63 -999 ? CA CA B 208 >ASN.B 170 90.80 -3.32 -17.55 90.23 -1.46 -16.71 90.51 -2.39 -17.13 2 0 27.83 -999 ? CA CA B 208 >LYS^B 171 90.66 -6.85 -20.43 84.87 -8.89 -21.63 87.76 -7.87 -21.03 2 0 22.17 -999 ? C20 C8E B 209 >SER^B 172 94.19 -7.30 -21.74 95.99 -8.03 -20.24 95.09 -7.67 -20.99 2 0 21.23 -999 ? O21 C8E B 210 >GLN^B 173 94.66 -10.88 -26.55 93.54 -10.69 -28.32 94.10 -10.78 -27.43 2 0 17.35 -999 ? C2 C8E B 210 >SER^B 174 98.48 -11.85 -25.05 98.67 -12.65 -22.71 98.57 -12.25 -23.88 2 0 16.18 -999 ? O21 C8E B 210 >SER^B 175 99.30 -14.92 -27.12 99.42 -13.98 -29.34 99.36 -14.45 -28.23 2 0 13.23 -999 ? C2 C8E B 210 >VAL^B 176 102.01 -17.43 -27.81 102.69 -18.95 -26.32 102.35 -18.19 -27.07 3 0 11.65 -999 ? O21 C8E B 210 >CSS.B 177 102.40 -19.54 -30.99 101.26 -17.31 -32.34 101.83 -18.43 -31.66 2 0 9.09 -999 ? C2 C8E B 210 >PRO.B 178 102.22 -23.32 -33.08 103.71 -22.18 -31.84 102.97 -22.75 -32.46 3 0 5.10 -999 ? C4 C8E B 210 >GLY.B 179 107.26 -22.38 -31.47 107.28 -21.61 -31.88 107.27 -22.00 -31.68 1 0 8.43 -999 ? C4 C8E B 210 >ASP.B 180 106.50 -18.19 -29.27 105.54 -17.21 -30.85 106.02 -17.70 -30.06 2 0 10.93 -999 ? C4 C8E B 210 >SER.B 181 109.85 -19.10 -26.67 111.12 -18.08 -24.82 110.49 -18.59 -25.74 2 0 16.71 -999 ? O21 C8E B 210 >GLY~B 182 107.37 -19.97 -23.92 107.18 -20.18 -24.66 107.27 -20.08 -24.29 1 0 12.65 -999 ? O21 C8E B 210 >TYR~B 183 104.05 -23.05 -28.11 101.72 -24.25 -29.01 102.88 -23.65 -28.56 3 0 7.74 -999 ? O12 C8E B 210 >GLU~B 184 107.80 -26.84 -26.43 109.06 -28.52 -26.54 108.43 -27.68 -26.49 2 0 8.45 -999 ? C14 C8E B 210 >ASP~B 185 106.30 -23.80 -20.43 108.26 -24.54 -20.08 107.28 -24.17 -20.25 2 0 11.63 -999 ? O21 C8E B 210 >VAL~B 186 102.03 -23.25 -21.93 101.21 -21.29 -22.72 101.62 -22.27 -22.32 3 0 7.56 -999 ? O21 C8E B 210 >ASN~B 187 101.97 -26.81 -25.28 100.76 -28.02 -26.55 101.36 -27.41 -25.92 2 0 -3.44 -999 ? O21 C8E B 210s >LYS~B 188 102.16 -28.74 -21.10 106.15 -31.37 -17.86 104.15 -30.06 -19.48 2 0 9.67 -999 ? C16 C8E B 210 >PHE~B 189 99.55 -24.92 -16.99 98.05 -23.95 -14.81 98.80 -24.44 -15.90 3 0 8.56 -999 ? CA CA B 208 >VAL~B 190 97.01 -26.06 -20.89 96.38 -24.15 -21.83 96.69 -25.10 -21.36 3 0 4.94 -999 ? O21 C8E B 210 >THR.B 191 94.88 -29.06 -21.80 94.27 -29.66 -19.85 94.57 -29.36 -20.83 2 0 -5.05 -999 ? O18 C8E B 209s >GLN.B 192 94.96 -27.39 -27.11 96.91 -27.71 -26.40 95.94 -27.55 -26.76 2 0 2.71 -999 ? C20 C8E B 210s >PRO.B 193 90.66 -29.80 -28.19 92.68 -30.26 -27.36 91.67 -30.03 -27.77 3 0 -3.08 -999 ? O21 C8E B 209s >GLU.B 194 97.88 -33.97 -28.78 99.62 -34.16 -27.58 98.75 -34.06 -28.18 2 0 2.86 -999 ? C13 C8E B 210s >TRP^B 195 97.59 -37.97 -29.26 96.99 -39.82 -32.71 97.29 -38.90 -30.98 3 0 -4.79 -999 ? C3 C8E B 209s >VAL^B 196 90.63 -37.06 -28.37 89.46 -35.20 -28.36 90.04 -36.13 -28.37 3 0 3.52 -999 ? O15 C8E B 209 >LEU^B 197 88.81 -41.19 -26.71 88.05 -43.22 -26.48 88.43 -42.20 -26.59 3 0 8.13 -999 ? O15 C8E B 209 >LYS^B 198 85.01 -40.11 -29.09 83.85 -38.63 -34.53 84.43 -39.37 -31.81 2 0 12.15 -999 ? O15 C8E B 209 >LEU^B 199 82.54 -43.14 -26.59 81.90 -45.17 -26.26 82.22 -44.15 -26.42 3 0 12.84 -999 ? O15 C8E B 209 >ARG^B 200 78.82 -37.69 -29.59 80.99 -36.13 -31.14 79.90 -36.91 -30.37 2 0 11.34 -999 ? O15 C8E B 209 >LEU^B 201 74.51 -43.83 -27.50 75.26 -45.79 -26.87 74.89 -44.81 -27.18 3 0 18.88 -999 ? O15 C8E B 209 >GLY^B 202 72.27 -41.27 -30.46 72.24 -42.05 -30.66 72.26 -41.66 -30.56 1 0 20.20 -999 ? O15 C8E B 209 >ALA^B 203 69.42 -41.50 -32.95 68.05 -41.38 -32.31 68.73 -41.44 -32.63 2 0 24.58 -999 ? O15 C8E B 209 >ALA^B 204 69.10 -40.47 -36.57 70.05 -40.95 -37.62 69.58 -40.71 -37.09 2 0 24.79 -999 ? O15 C8E B 209 >TYR^B 205 63.66 -38.04 -37.77 60.98 -37.67 -38.58 62.32 -37.85 -38.17 3 0 31.23 -999 ? O15 C8E B 209 >ARG^B 206 66.21 -41.62 -44.73 64.06 -41.49 -46.91 65.14 -41.56 -45.82 2 0 34.91 -999 ? O15 C8E B 209 >PHE.B 207 65.32 -33.99 -42.67 67.60 -32.53 -43.52 66.46 -33.26 -43.10 3 0 29.99 -999 ? O15 C8E B 209 >ALA.C 2 58.21 -54.03 -41.91 59.51 -53.60 -41.18 58.86 -53.82 -41.55 2 0 24.11 -999 ? O21 C8E A 209 >LYS.C 3 54.64 -52.54 -41.89 51.76 -56.14 -46.37 53.20 -54.34 -44.13 2 0 29.42 -999 ? O21 C8E A 209 >PHE^C 4 55.69 -49.63 -37.86 57.79 -50.73 -36.33 56.74 -50.18 -37.10 3 0 24.78 -999 ? O18 C8E A 209 >SER^C 5 50.03 -48.53 -38.83 49.40 -50.39 -40.21 49.72 -49.46 -39.52 2 0 28.64 -999 ? C16 C8E C 210 >VAL^C 6 48.09 -46.15 -36.64 47.69 -44.03 -36.90 47.89 -45.09 -36.77 3 0 25.62 -999 ? C19 C8E C 210 >GLU^C 7 43.33 -49.69 -35.12 43.56 -51.77 -34.52 43.45 -50.73 -34.82 2 0 20.56 -999 ? C16 C8E C 210 >ALA^C 8 41.60 -45.69 -34.21 41.31 -44.27 -34.65 41.45 -44.98 -34.43 2 0 21.06 -999 ? C19 C8E C 210 >GLY^C 9 38.63 -47.72 -33.07 38.75 -47.02 -32.59 38.69 -47.37 -32.83 1 0 17.67 -999 ? C16 C8E C 210 >ALA^C 10 35.38 -46.95 -31.32 34.79 -45.75 -31.96 35.09 -46.35 -31.64 2 0 16.38 -999 ? C16 C8E C 210 >GLY^C 11 32.80 -49.06 -29.57 33.28 -48.67 -28.99 33.04 -48.86 -29.28 1 0 12.79 -999 ? C16 C8E C 210 >PHE^C 12 30.57 -52.31 -25.04 29.52 -53.06 -22.58 30.05 -52.69 -23.81 3 0 6.93 -999 ? C16 C8E C 210 >TYR^C 13 37.24 -51.70 -23.13 39.21 -53.16 -21.84 38.23 -52.43 -22.48 3 0 7.82 -999 ? C16 C8E C 210 >GLY.C 14 32.71 -52.13 -20.48 32.57 -51.60 -21.08 32.64 -51.87 -20.78 1 0 -3.25 -999 ? C16 C8E C 210s >GLY.C 15 30.97 -48.94 -21.56 31.55 -49.29 -22.18 31.26 -49.12 -21.87 1 0 5.81 -999 ? C16 C8E C 210 >PHE^C 16 29.17 -47.03 -25.43 27.11 -48.90 -25.82 28.14 -47.97 -25.63 3 0 10.45 -999 ? C16 C8E C 210 >GLY^C 17 34.61 -45.03 -25.87 34.39 -45.63 -26.41 34.50 -45.33 -26.14 1 0 11.43 -999 ? C19 C8E C 210 >GLY^C 18 37.51 -45.80 -28.16 37.81 -45.75 -27.39 37.66 -45.77 -27.78 1 0 13.60 -999 ? C19 C8E C 210 >GLN^C 19 42.90 -48.48 -28.27 43.27 -50.57 -28.10 43.08 -49.52 -28.19 2 0 15.24 -999 ? C19 C8E C 210 >LEU^C 20 44.78 -43.86 -30.20 44.10 -42.10 -31.18 44.44 -42.98 -30.69 3 0 19.64 -999 ? C19 C8E C 210 >ALA^C 21 46.78 -47.73 -31.34 46.03 -49.05 -31.56 46.40 -48.39 -31.45 2 0 19.73 -999 ? C19 C8E C 210 >VAL^C 22 49.97 -48.50 -33.16 51.91 -47.53 -32.92 50.94 -48.02 -33.04 3 0 24.18 -999 ? C19 C8E C 210 >VAL^C 23 50.26 -51.76 -35.05 48.45 -52.77 -35.68 49.36 -52.27 -35.36 3 0 24.75 -999 ? C19 C8E C 210 >ALA^C 24 53.45 -53.34 -36.25 54.64 -53.25 -35.36 54.04 -53.30 -35.81 2 0 22.49 -999 ? O21 C8E A 209 >GLU.C 25 50.80 -55.81 -38.99 49.16 -55.90 -40.32 49.98 -55.86 -39.66 2 0 26.72 -999 ? O21 C8E A 209 >ASP.C 26 55.55 -58.08 -41.98 53.84 -58.94 -42.96 54.69 -58.51 -42.47 2 0 24.60 -999 ? O21 C8E A 209 >LEU.C 27 58.51 -57.89 -36.58 57.18 -56.75 -35.33 57.85 -57.32 -35.95 3 0 18.62 -999 ? O21 C8E A 209 >ALA.C 28 60.78 -60.48 -39.80 61.54 -61.10 -38.64 61.16 -60.79 -39.22 2 0 17.33 -999 ? O21 C8E A 209 >PRO.C 29 62.77 -62.06 -43.18 60.82 -62.50 -42.17 61.79 -62.28 -42.67 3 0 20.40 -999 ? O21 C8E A 209 >GLY.C 30 60.02 -66.08 -40.59 59.62 -65.42 -40.45 59.82 -65.75 -40.52 1 0 17.86 -999 ? O21 C8E A 209 >LEU.C 31 58.21 -64.86 -36.29 58.68 -62.71 -36.16 58.44 -63.79 -36.23 3 0 15.22 -999 ? O21 C8E A 209 >PRO.C 32 53.90 -66.82 -37.70 54.56 -64.67 -37.96 54.23 -65.74 -37.83 3 0 18.22 -999 ? O21 C8E A 209 >LEU^C 33 54.27 -62.49 -33.74 53.97 -64.25 -32.48 54.12 -63.37 -33.11 3 0 15.73 -999 ? O21 C8E A 209 >GLY^C 34 52.44 -58.67 -35.04 52.34 -59.13 -34.28 52.39 -58.90 -34.66 1 0 20.14 -999 ? O21 C8E A 209 >VAL^C 35 52.01 -56.27 -32.20 53.78 -56.04 -30.95 52.89 -56.16 -31.58 3 0 19.71 -999 ? O21 C8E A 209 >ARG^C 36 45.58 -52.92 -31.76 43.11 -54.70 -31.56 44.34 -53.81 -31.66 2 0 17.98 -999 ? C16 C8E C 210 >LEU^C 37 51.45 -50.32 -28.68 53.28 -51.34 -28.15 52.37 -50.83 -28.42 3 0 21.51 -999 ? C1 C8E C 209 >GLY^C 38 47.08 -49.08 -27.59 47.53 -49.11 -26.94 47.30 -49.09 -27.27 1 0 17.56 -999 ? C19 C8E C 210 >VAL^C 39 45.59 -46.48 -25.31 46.87 -44.90 -24.49 46.23 -45.69 -24.90 3 0 15.77 -999 ? C20 C8E C 210 >GLY^C 40 41.84 -46.53 -24.70 42.24 -46.19 -24.08 42.04 -46.36 -24.39 1 0 12.46 -999 ? C19 C8E C 210 >PHE^C 41 38.53 -42.08 -22.17 36.81 -40.66 -20.50 37.67 -41.37 -21.33 3 0 11.26 -999 ? C20 C8E C 210 >ALA^C 42 35.72 -45.47 -22.06 35.55 -46.98 -22.23 35.64 -46.22 -22.15 2 0 7.46 -999 ? C19 C8E C 210 >THR^C 43 32.76 -44.26 -20.08 30.65 -44.02 -20.37 31.70 -44.14 -20.22 2 0 8.54 -999 ? C17 C8E C 210 >SER.C 44 31.95 -46.42 -17.08 33.26 -47.96 -15.73 32.60 -47.19 -16.40 2 0 -2.60 -999 ? O21 C8E C 210s >ASP.C 45 28.98 -48.61 -14.39 27.54 -48.99 -12.93 28.26 -48.80 -13.66 2 0 3.27 -999 ? CA CA C 208s >ALA.C 46 31.22 -46.48 -10.69 31.43 -45.03 -10.31 31.32 -45.75 -10.50 2 0 6.35 -999 ? CA CA C 208 >LEU.C 47 28.53 -46.84 -6.92 30.29 -45.63 -6.29 29.41 -46.24 -6.61 3 0 -6.24 -999 ? CA CA C 208s >ASP.C 48 26.68 -52.06 -7.74 25.46 -53.53 -8.54 26.07 -52.80 -8.14 2 0 7.17 -999 ? CA CA C 208 >ASP.C 49 22.13 -48.50 -9.42 23.00 -46.66 -10.00 22.57 -47.58 -9.71 2 0 -2.87 -999 ? CA CA C 208s >GLY.C 50 21.11 -51.78 -6.22 21.90 -51.63 -6.15 21.51 -51.71 -6.18 1 0 8.32 -999 ? CA CA C 208 >TYR.C 51 26.09 -52.62 -2.60 27.54 -53.38 -0.32 26.82 -53.00 -1.46 3 0 10.04 -999 ? O21 C8E C 209 >ASP.C 52 21.29 -54.58 -0.38 20.26 -54.47 1.43 20.77 -54.53 0.53 2 0 15.77 -999 ? CA CA C 208 >LEU.C 53 23.26 -49.22 1.59 23.57 -48.08 -0.23 23.42 -48.65 0.68 3 0 12.37 -999 ? CA CA C 208 >GLY.C 54 20.40 -51.33 4.37 20.14 -50.80 3.78 20.27 -51.07 4.07 1 0 17.14 -999 ? CA CA C 208 >GLY.C 55 17.99 -52.60 4.95 17.80 -52.25 4.19 17.89 -52.43 4.57 1 0 18.86 -999 ? CA CA C 208 >GLY.C 56 16.63 -53.06 1.46 16.83 -52.25 1.64 16.73 -52.65 1.55 1 0 16.76 -999 ? CA CA C 208 >THR.C 57 17.34 -49.58 0.14 17.08 -48.15 1.75 17.21 -48.86 0.95 2 0 15.66 -999 ? CA CA C 208 >THR~C 58 19.91 -49.60 -2.59 18.80 -50.74 -4.02 19.35 -50.17 -3.31 2 0 10.65 -999 ? CA CA C 208 >TRP~C 59 24.77 -46.37 -6.57 25.55 -42.98 -4.73 25.16 -44.68 -5.65 3 0 6.20 -999 ? CA CA C 208 >GLY~C 60 19.85 -46.69 -6.80 19.80 -46.54 -5.98 19.82 -46.61 -6.39 1 0 7.28 -999 ? CA CA C 208 >ASP~C 61 16.71 -46.53 -3.05 15.59 -48.22 -3.69 16.15 -47.37 -3.37 2 0 12.61 -999 ? CA CA C 208 >VAL~C 62 19.60 -43.34 -2.39 21.02 -43.67 -0.77 20.31 -43.51 -1.58 3 0 11.63 -999 ? CA CA C 208 >LYS~C 63 20.98 -41.61 -5.49 23.04 -43.67 -10.44 22.01 -42.64 -7.96 2 0 4.21 -999 ? CA CA C 208 >GLU~C 64 16.47 -41.84 -8.31 14.60 -42.35 -9.15 15.53 -42.09 -8.73 2 0 12.03 -999 ? CA CA C 208 >ALA~C 65 16.79 -39.18 -3.13 16.65 -40.15 -1.97 16.72 -39.67 -2.55 2 0 14.61 -999 ? CA CA C 208 >GLY.C 66 19.82 -36.88 -3.28 19.56 -37.04 -4.05 19.69 -36.96 -3.67 1 0 14.13 -999 ? CA CA C 208 >LYS.C 67 20.04 -36.06 -6.98 16.11 -31.17 -7.78 18.08 -33.61 -7.38 2 0 18.71 -999 ? CA CA C 208 >PHE.C 68 23.80 -38.52 -4.60 23.26 -38.36 -1.88 23.53 -38.44 -3.24 3 0 11.96 -999 ? CA CA C 208 >SER^C 69 25.63 -37.12 -10.07 26.01 -35.64 -11.95 25.82 -36.38 -11.01 2 0 11.34 -999 ? CA CA C 208 >GLU^C 70 27.73 -42.94 -10.42 26.74 -44.79 -10.37 27.24 -43.86 -10.40 2 0 -2.71 -999 ? CA CA C 208s >TRP^C 71 31.84 -38.56 -11.03 35.57 -39.45 -11.85 33.71 -39.01 -11.44 3 0 10.96 -999 ? O21 C8E C 210 >GLY^C 72 32.98 -43.26 -14.24 32.91 -42.76 -14.86 32.95 -43.01 -14.55 1 0 6.51 -999 ? O21 C8E C 210 >GLN^C 73 37.52 -41.93 -15.99 38.52 -40.23 -16.76 38.02 -41.08 -16.38 2 0 10.77 -999 ? C20 C8E C 210 >ASN^C 74 38.01 -47.64 -17.99 37.26 -48.68 -16.35 37.64 -48.16 -17.17 2 0 -3.17 -999 ? C20 C8E C 210s >VAL^C 75 41.88 -45.41 -19.23 42.87 -43.46 -19.44 42.37 -44.43 -19.34 3 0 10.43 -999 ? C20 C8E C 210 >THR^C 76 43.32 -48.65 -20.54 41.96 -50.24 -20.86 42.64 -49.44 -20.70 2 0 9.24 -999 ? C20 C8E C 210 >LEU^C 77 48.01 -49.17 -20.54 49.12 -47.36 -20.66 48.56 -48.26 -20.60 3 0 14.94 -999 ? C20 C8E C 210 >SER^C 78 46.95 -52.32 -23.90 45.02 -53.63 -24.63 45.99 -52.98 -24.26 2 0 13.93 -999 ? C13 C8E C 210 >LEU^C 79 50.79 -54.70 -24.94 52.53 -55.79 -25.69 51.66 -55.24 -25.32 3 0 16.93 -999 ? C1 C8E C 209 >ASP^C 80 47.10 -57.14 -28.79 45.64 -55.94 -27.77 46.37 -56.54 -28.28 2 0 16.43 -999 ? C13 C8E C 210 >VAL^C 81 50.39 -60.03 -29.82 52.11 -61.18 -29.13 51.25 -60.61 -29.47 3 0 17.52 -999 ? O21 C8E A 209 >LEU^C 82 48.11 -59.72 -34.09 47.50 -57.64 -33.62 47.81 -58.68 -33.85 3 0 22.72 -999 ? C13 C8E C 210 >TYR^C 83 49.20 -66.70 -34.88 49.82 -68.82 -36.60 49.51 -67.76 -35.74 3 0 19.88 -999 ? O21 C8E A 209 >LYS.C 84 49.01 -63.83 -38.44 48.10 -58.01 -38.38 48.56 -60.92 -38.41 2 0 25.24 -999 ? O21 C8E A 209 >PRO.C 85 46.40 -66.85 -39.53 48.66 -66.70 -39.60 47.53 -66.77 -39.57 3 0 23.91 -999 ? O21 C8E A 209 >LEU.C 90 42.26 -64.95 -47.27 40.85 -66.60 -47.65 41.56 -65.77 -47.46 3 0 33.71 -999 ? O21 C8E A 209 >PRO.C 91 40.24 -61.25 -50.44 41.78 -61.13 -48.82 41.01 -61.19 -49.63 3 0 -34.56 -999 ? C16 C8E C 210s >VAL.C 92 40.48 -60.24 -45.20 38.37 -59.86 -44.83 39.43 -60.05 -45.01 3 0 29.56 -999 ? C16 C8E C 210 >GLU^C 93 45.29 -60.19 -41.07 45.99 -58.52 -39.91 45.64 -59.36 -40.49 2 0 26.90 -999 ? C13 C8E C 210 >VAL^C 94 41.78 -62.37 -39.35 39.83 -63.39 -39.30 40.81 -62.88 -39.32 3 0 25.46 -999 ? C13 C8E C 210 >ALA^C 95 44.22 -62.46 -36.43 45.39 -61.49 -36.49 44.81 -61.98 -36.46 2 0 24.19 -999 ? C13 C8E C 210 >PRO^C 96 44.35 -66.07 -34.06 43.66 -63.95 -33.73 44.01 -65.01 -33.89 3 0 22.62 -999 ? C13 C8E C 210 >TYR^C 97 44.42 -59.94 -30.24 42.23 -58.45 -29.40 43.32 -59.19 -29.82 3 0 17.03 -999 ? C13 C8E C 210 >PHE^C 98 48.24 -64.04 -26.66 50.81 -64.73 -27.68 49.52 -64.38 -27.17 3 0 16.93 -999 ? O21 C8E A 209 >GLY^C 99 48.01 -59.71 -24.45 47.44 -60.03 -23.99 47.73 -59.87 -24.22 1 0 14.83 -999 ? C1 C8E C 209 >VAL^C 100 48.42 -57.82 -21.21 50.38 -57.25 -20.38 49.40 -57.54 -20.80 3 0 11.61 -999 ? C1 C8E C 209 >ARG^C 101 44.39 -56.56 -21.66 44.87 -57.05 -24.63 44.63 -56.81 -23.14 2 0 13.82 -999 ? C13 C8E C 210 >TYR^C 102 48.50 -51.08 -15.65 48.91 -50.66 -12.96 48.70 -50.87 -14.31 3 0 9.73 -999 ? C2 C8E C 209 >ASN^C 103 42.54 -50.86 -16.42 40.88 -49.65 -16.80 41.71 -50.26 -16.61 2 0 6.32 -999 ? C20 C8E C 210 >PHE^C 104 45.31 -45.69 -15.13 48.07 -46.01 -15.44 46.69 -45.85 -15.28 3 0 12.59 -999 ? C20 C8E C 210 >PHE^C 105 37.70 -47.93 -11.88 35.28 -47.45 -10.64 36.49 -47.69 -11.26 3 0 -4.13 -999 ? O21 C8E C 210s >SER^C 106 38.19 -43.96 -11.39 38.81 -41.96 -12.55 38.50 -42.96 -11.97 2 0 9.17 -999 ? O21 C8E C 210 >GLY^C 107 34.65 -42.83 -10.66 35.11 -42.76 -9.95 34.88 -42.79 -10.31 1 0 7.61 -999 ? O21 C8E C 210 >GLY^C 108 32.28 -41.91 -7.84 31.99 -41.73 -8.59 32.14 -41.82 -8.21 1 0 9.19 -999 ? CA CA C 208 >TYR^C 109 28.40 -39.89 -5.18 28.52 -40.13 -2.40 28.46 -40.01 -3.79 3 0 10.73 -999 ? CA CA C 208 >THR^C 110 29.51 -35.46 -6.90 30.13 -34.54 -8.74 29.82 -35.00 -7.82 2 0 13.52 -999 ? CA CA C 208 >ASP.C 111 27.11 -33.17 -3.90 25.73 -31.94 -3.00 26.42 -32.55 -3.45 2 0 17.21 -999 ? CA CA C 208 >PRO.C 112 24.45 -32.37 -8.59 25.33 -31.04 -6.99 24.89 -31.70 -7.79 3 0 15.69 -999 ? CA CA C 208 >GLU.C 113 22.93 -28.02 -2.65 24.78 -28.62 -1.78 23.86 -28.32 -2.21 2 0 20.72 -999 ? CA CA C 208 >ASP.C 114 19.39 -30.14 -1.59 19.46 -28.98 0.18 19.43 -29.56 -0.70 2 0 22.22 -999 ? CA CA C 208 >ASN.C 115 21.18 -32.86 2.02 20.57 -34.73 1.19 20.88 -33.79 1.61 2 0 18.23 -999 ? CA CA C 208 >LEU.C 116 25.74 -33.77 -0.35 25.49 -35.13 -2.07 25.62 -34.45 -1.21 3 0 16.14 -999 ? CA CA C 208 >THR.C 117 27.55 -31.30 3.26 28.51 -32.70 4.67 28.03 -32.00 3.96 2 0 21.70 -999 ? CA CA C 208 >ILE.C 118 27.81 -28.46 -0.19 27.22 -27.88 0.19 27.51 -28.17 0.00 3 0 22.08 -999 ? CA CA C 208 >LYS.C 119 30.81 -32.05 -1.80 31.88 -31.87 3.92 31.35 -31.96 1.06 2 0 22.44 -999 ? CA CA C 208 >ALA^C 120 32.30 -34.87 -3.98 33.01 -34.28 -5.18 32.65 -34.57 -4.58 2 0 16.01 -999 ? CA CA C 208 >GLN^C 121 32.69 -39.14 -1.40 32.53 -40.89 -0.21 32.61 -40.01 -0.80 2 0 14.56 -999 ? CA CA C 208 >THR^C 122 35.98 -40.36 -5.91 37.15 -39.19 -7.33 36.56 -39.78 -6.62 2 0 12.77 -999 ? O21 C8E C 210 >ILE^C 123 36.14 -45.20 -5.73 35.47 -46.10 -4.67 35.81 -45.65 -5.20 3 0 9.32 -999 ? O21 C8E C 209 >SER^C 124 40.05 -45.29 -8.01 42.09 -44.13 -7.44 41.07 -44.71 -7.73 2 0 11.72 -999 ? O21 C8E C 210 >SER^C 125 41.72 -48.67 -8.69 41.33 -51.09 -8.33 41.53 -49.88 -8.51 2 0 7.77 -999 ? O21 C8E C 209 >ASN^C 126 46.00 -48.72 -10.75 45.75 -46.60 -10.82 45.87 -47.66 -10.79 2 0 12.17 -999 ? C20 C8E C 210 >GLN^C 127 42.39 -53.01 -11.20 40.42 -53.72 -11.54 41.41 -53.37 -11.37 2 0 6.69 -999 ? C11 C8E C 209 >LEU^C 128 47.85 -56.39 -13.76 49.16 -57.76 -14.88 48.50 -57.07 -14.32 3 0 5.70 -999 ? C1 C8E C 209 >GLY^C 129 44.60 -57.45 -16.86 45.41 -57.44 -17.05 45.00 -57.44 -16.96 1 0 8.32 -999 ? C1 C8E C 209 >LEU^C 130 45.47 -61.60 -18.95 47.26 -62.28 -17.89 46.36 -61.94 -18.42 3 0 9.05 -999 ? C1 C8E C 209 >GLY^C 131 43.06 -60.72 -22.58 43.75 -61.01 -22.74 43.40 -60.86 -22.66 1 0 12.25 -999 ? C13 C8E C 210 >LEU^C 132 42.56 -63.92 -25.92 41.14 -65.31 -25.20 41.85 -64.62 -25.56 3 0 14.98 -999 ? C1 C8E C 210 >GLY^C 133 40.42 -61.48 -28.89 41.03 -62.00 -29.17 40.73 -61.74 -29.03 1 0 15.62 -999 ? C13 C8E C 210 >VAL^C 134 40.06 -61.56 -32.67 39.22 -63.26 -33.71 39.64 -62.41 -33.19 3 0 19.43 -999 ? C13 C8E C 210 >ARG^C 135 44.01 -56.05 -34.91 45.01 -54.65 -37.44 44.51 -55.35 -36.17 2 0 23.87 -999 ? C16 C8E C 210 >ALA^C 136 39.69 -58.64 -38.49 38.27 -59.07 -38.64 38.98 -58.85 -38.56 2 0 23.08 -999 ? C16 C8E C 210 >ALA^C 137 41.11 -56.22 -41.00 42.54 -55.78 -40.81 41.83 -56.00 -40.91 2 0 25.83 -999 ? C16 C8E C 210 >TYR^C 138 37.44 -55.85 -45.58 34.94 -55.10 -46.63 36.19 -55.47 -46.10 3 0 29.21 -999 ? C16 C8E C 210 >PRO^C 139 42.62 -55.60 -47.70 41.39 -53.92 -46.85 42.00 -54.76 -47.27 3 0 31.57 -999 ? C16 C8E C 210 >LEU^C 140 39.05 -49.36 -47.54 37.52 -49.27 -46.04 38.29 -49.32 -46.79 3 0 30.27 -999 ? C16 C8E C 210 >MET^C 141 42.31 -48.30 -50.21 41.29 -44.32 -49.59 41.80 -46.31 -49.90 2 0 34.52 -999 ? C16 C8E C 210 >PRO.C 142 45.94 -48.93 -52.60 45.31 -48.95 -50.44 45.63 -48.94 -51.52 3 0 36.89 -999 ? C16 C8E C 210 >ASN.C 143 48.00 -46.73 -47.20 49.81 -46.99 -48.30 48.91 -46.86 -47.75 2 0 36.02 -999 ? C16 C8E C 210 >LEU^C 144 42.83 -46.80 -45.96 41.43 -45.70 -44.72 42.13 -46.25 -45.34 3 0 30.37 -999 ? C16 C8E C 210 >SER^C 145 41.87 -50.77 -43.64 43.47 -52.56 -43.92 42.67 -51.66 -43.78 2 0 28.85 -999 ? C16 C8E C 210 >LEU^C 146 37.20 -51.66 -42.63 35.18 -51.24 -42.02 36.19 -51.45 -42.32 3 0 25.35 -999 ? C16 C8E C 210 >VAL^C 147 39.20 -53.01 -38.65 41.10 -52.74 -37.62 40.15 -52.88 -38.13 3 0 22.25 -999 ? C16 C8E C 210 >GLY^C 148 36.86 -55.05 -36.49 37.69 -55.22 -36.43 37.28 -55.14 -36.46 1 0 19.87 -999 ? C16 C8E C 210 >ASP^C 149 38.72 -55.19 -32.44 40.02 -55.93 -30.97 39.37 -55.56 -31.71 2 0 16.02 -999 ? C16 C8E C 210 >LEU^C 150 35.05 -59.52 -30.91 34.01 -61.02 -29.68 34.53 -60.27 -30.30 3 0 15.23 -999 ? C13 C8E C 210 >GLY^C 151 37.96 -59.28 -27.29 37.21 -59.08 -27.12 37.58 -59.18 -27.20 1 0 12.60 -999 ? C13 C8E C 210 >VAL^C 152 37.53 -60.45 -23.70 36.18 -62.01 -23.03 36.86 -61.23 -23.37 3 0 9.85 -999 ? C13 C8E C 210 >ASP^C 153 40.09 -57.62 -20.90 41.26 -57.13 -22.61 40.67 -57.38 -21.75 2 0 9.83 -999 ? C13 C8E C 210 >TYR^C 154 40.20 -61.77 -15.26 39.91 -62.08 -12.52 40.06 -61.93 -13.89 3 0 -5.05 -999 ? C10 C8E C 209s >TYR^C 155 41.26 -55.52 -15.76 41.81 -54.24 -18.13 41.54 -54.88 -16.94 3 0 7.32 -999 ? C13 C8E C 210 >PHE.C 156 44.70 -60.38 -11.83 45.46 -62.53 -13.48 45.08 -61.45 -12.66 3 0 4.16 -999 ? C1 C8E C 209 >GLN.C 157 41.36 -58.73 -6.38 40.23 -59.71 -4.93 40.79 -59.22 -5.66 2 0 -3.51 -999 ? O9 C8E C 209s >ALA.C 158 43.81 -54.47 -6.60 44.31 -53.67 -7.75 44.06 -54.07 -7.17 2 0 5.77 -999 ? C3 C8E C 209 >CSS.C 159 43.78 -51.71 -3.96 45.78 -51.79 -2.03 44.78 -51.75 -3.00 2 0 9.08 -999 ? C3 C8E C 209 >PHE^C 160 38.86 -50.43 -4.43 37.56 -52.24 -6.09 38.21 -51.34 -5.26 3 0 5.66 -999 ? O21 C8E C 209 >THR^C 161 41.89 -45.49 -3.13 43.84 -44.64 -3.41 42.87 -45.07 -3.27 2 0 14.40 -999 ? O21 C8E C 209 >ARG^C 162 35.66 -43.15 0.12 35.66 -43.03 3.18 35.66 -43.09 1.65 2 0 16.00 -999 ? O21 C8E C 209 >VAL^C 163 39.04 -39.42 -1.94 40.70 -38.29 -2.80 39.87 -38.86 -2.37 3 0 16.87 -999 ? O21 C8E C 210 >GLU^C 164 34.72 -37.11 1.76 34.46 -37.46 3.82 34.59 -37.29 2.79 2 0 20.06 -999 ? CA CA C 208 >GLU^C 165 36.32 -31.59 -2.15 36.97 -31.00 -4.08 36.65 -31.29 -3.11 2 0 20.98 -999 ? CA CA C 208 >ASP.C 166 35.75 -30.25 2.83 35.54 -31.07 4.76 35.65 -30.66 3.80 2 0 24.81 -999 ? CA CA C 208 >ASP.C 167 31.39 -27.44 2.08 30.34 -25.78 1.31 30.86 -26.61 1.69 2 0 25.18 -999 ? CA CA C 208 >SER.C 168 35.58 -25.74 2.02 35.23 -25.15 4.34 35.41 -25.45 3.18 2 0 28.61 -999 ? CA CA C 208 >GLY.C 169 37.55 -27.87 -0.47 37.53 -28.16 0.28 37.54 -28.01 -0.10 1 0 25.10 -999 ? CA CA C 208 >ASN.C 170 39.40 -29.88 3.55 39.46 -27.84 4.11 39.43 -28.86 3.83 2 0 28.31 -999 ? CA CA C 208 >LYS^C 171 40.39 -33.45 0.65 41.79 -31.81 -5.33 41.09 -32.63 -2.34 2 0 21.29 -999 ? O21 C8E C 210 >SER^C 172 41.00 -36.60 2.65 39.03 -37.50 3.67 40.01 -37.05 3.16 2 0 21.08 -999 ? O21 C8E C 209 >GLN^C 173 43.89 -41.03 -0.28 45.75 -40.79 -1.30 44.82 -40.91 -0.79 2 0 19.00 -999 ? O21 C8E C 209 >SER^C 174 41.96 -43.62 2.49 39.55 -43.47 2.68 40.76 -43.54 2.58 2 0 16.15 -999 ? O21 C8E C 209 >SER^C 175 42.43 -46.97 0.86 44.90 -47.21 0.95 43.66 -47.09 0.91 2 0 14.60 -999 ? C3 C8E C 209 >VAL^C 176 41.89 -50.64 1.19 39.85 -51.41 1.28 40.87 -51.02 1.24 3 0 11.81 -999 ? O21 C8E C 209 >CSS.C 177 43.69 -53.67 -0.28 45.96 -51.97 -0.01 44.82 -52.82 -0.14 2 0 10.32 -999 ? C3 C8E C 209 >PRO.C 178 43.71 -56.96 -3.09 43.20 -56.67 -0.88 43.46 -56.81 -1.98 3 0 6.03 -999 ? C5 C8E C 209 >GLY.C 179 42.35 -58.77 1.88 43.04 -58.32 2.32 42.70 -58.55 2.10 1 0 9.08 -999 ? C5 C8E C 209 >ASP.C 180 42.24 -54.49 3.97 44.24 -53.90 3.82 43.24 -54.20 3.89 2 0 12.29 -999 ? C5 C8E C 209 >SER.C 181 39.09 -56.11 6.67 39.74 -54.32 8.06 39.41 -55.22 7.36 2 0 16.73 -999 ? C14 C8E C 209 >GLY~C 182 36.73 -53.96 4.63 37.26 -54.38 4.27 36.99 -54.17 4.45 1 0 12.84 -999 ? O21 C8E C 209 >TYR~C 183 39.42 -55.89 -0.59 40.02 -55.54 -3.26 39.72 -55.71 -1.93 3 0 7.45 -999 ? C14 C8E C 209 >GLU~C 184 35.72 -59.91 1.24 36.69 -61.13 -0.21 36.20 -60.52 0.51 2 0 7.93 -999 ? C14 C8E C 209 >ASP~C 185 31.89 -54.53 1.93 31.11 -55.91 3.29 31.50 -55.22 2.61 2 0 11.81 -999 ? O21 C8E C 209 >VAL~C 186 34.01 -52.32 -1.19 35.56 -50.92 -0.64 34.79 -51.62 -0.91 3 0 7.62 -999 ? O21 C8E C 209 >ASN~C 187 35.59 -56.00 -3.84 36.37 -56.79 -5.68 35.98 -56.39 -4.76 2 0 -2.70 -999 ? C14 C8E C 209s >LYS~C 188 31.07 -55.82 -4.30 26.58 -58.21 -2.57 28.83 -57.01 -3.44 2 0 9.02 -999 ? C16 C8E C 209 >PHE~C 189 29.10 -50.14 -3.03 27.67 -47.71 -3.13 28.38 -48.93 -3.08 3 0 9.03 -999 ? CA CA C 208 >VAL~C 190 32.42 -50.64 -6.54 34.20 -49.46 -6.05 33.31 -50.05 -6.29 3 0 4.79 -999 ? O21 C8E C 209 >THR.C 191 32.16 -51.72 -10.15 30.14 -51.15 -10.71 31.15 -51.44 -10.43 2 0 5.18 -999 ? C20 C8E C 209s >GLN.C 192 37.88 -52.49 -10.10 36.97 -53.88 -8.75 37.42 -53.18 -9.43 2 0 2.81 -999 ? O21 C8E C 209s >PRO.C 193 38.01 -51.99 -15.07 36.74 -53.25 -13.74 37.38 -52.62 -14.41 3 0 -3.52 -999 ? C20 C8E C 210s >GLU.C 194 36.17 -59.59 -12.28 34.91 -60.51 -10.83 35.54 -60.05 -11.55 2 0 3.24 -999 ? O15 C8E C 209s >TRP^C 195 34.65 -62.08 -15.07 37.18 -64.29 -17.10 35.92 -63.19 -16.08 3 0 -4.37 -999 ? C3 C8E C 210s >VAL^C 196 35.37 -56.79 -19.77 36.43 -54.90 -19.55 35.90 -55.85 -19.66 3 0 4.13 -999 ? C13 C8E C 210 >LEU^C 197 32.31 -57.51 -23.41 31.44 -58.43 -25.11 31.88 -57.97 -24.26 3 0 8.77 -999 ? O15 C8E C 210 >LYS^C 198 35.43 -55.44 -26.10 41.10 -55.85 -26.89 38.27 -55.65 -26.50 2 0 12.94 -999 ? C13 C8E C 210 >LEU^C 199 32.21 -54.84 -29.49 31.17 -56.09 -30.91 31.69 -55.46 -30.20 3 0 13.24 -999 ? C16 C8E C 210 >ARG^C 200 37.62 -50.12 -29.23 39.44 -51.00 -26.91 38.53 -50.56 -28.07 2 0 12.04 -999 ? C16 C8E C 210 >LEU^C 201 33.73 -50.51 -35.88 32.88 -50.90 -37.88 33.31 -50.71 -36.88 3 0 19.71 -999 ? C16 C8E C 210 >GLY^C 202 37.69 -48.46 -36.70 37.66 -49.11 -37.22 37.68 -48.78 -36.96 1 0 20.55 -999 ? C16 C8E C 210 >ALA^C 203 40.30 -47.76 -39.37 39.98 -46.52 -40.19 40.14 -47.14 -39.78 2 0 24.88 -999 ? C16 C8E C 210 >ALA^C 204 44.01 -48.39 -39.77 44.55 -49.75 -39.34 44.28 -49.07 -39.55 2 0 25.35 -999 ? C16 C8E C 210 >TYR^C 205 44.79 -44.04 -41.24 42.28 -43.19 -40.34 43.53 -43.61 -40.79 3 0 27.50 -999 ? C19 C8E C 210 >ARG^C 206 51.48 -50.24 -44.52 54.38 -50.65 -45.44 52.93 -50.45 -44.98 2 0 30.58 -999 ? O21 C8E A 209 >PHE.C 207 52.66 -44.53 -39.79 53.46 -45.48 -37.28 53.06 -45.01 -38.54 3 0 30.07 -999 ? C19 C8E C 210