REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAY-04 1WEK COMPND HYPOTHETICAL PROTEIN TT1465; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11B AUTHOR M.KUKIMOTO-NIINO,K.MURAYAMA,M.KATO-MURAYAMA,T.TERADA,M.SHIROUZU, AUTHOR 2 S.KURAMITSU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 3 INITIATIVE (RSGI) HET MSE A 81 8 HET MSE B 81 8 HET MSE C 81 8 HET MSE D 81 8 HET MSE E 81 8 HET MSE F 81 8 HET PO4 A 501 5 HET PO4 F 502 5 HET PO4 B 503 5 HET PO4 E 504 5 HET PO4 C 505 5 HET PO4 D 506 5 HET PO4 C 507 5 HET PO4 D 508 5 HET PO4 E 509 5 HET PO4 F 510 5 HET PO4 C 511 5 HET PO4 D 512 5 SITE 1 AC1 11 SER A 45 ALA A 46 GLY A 140 GLY A 141 SITE 1 AC2 11 HOH E 516 PHE F 43 SER F 45 ALA F 46 SITE 1 AC3 13 HOH A 531 GLY B 44 SER B 45 ALA B 46 SITE 1 AC4 10 SER E 45 ALA E 46 GLY E 141 PHE E 142 SITE 1 AC5 10 SER C 45 ALA C 46 GLY C 141 PHE C 142 SITE 1 AC6 12 HOH C 542 PHE D 43 SER D 45 ALA D 46 SITE 1 AC7 7 PHE C 29 SER C 33 ARG C 130 TYR C 131 SITE 1 AC8 6 HIS C 12 GLU D 30 GLU D 34 HOH D 548 SITE 1 AC9 6 HIS E 11 HIS E 12 HOH E 517 PHE F 29 SITE 1 BC1 5 ARG E 130 TYR E 131 HIS F 11 HIS F 12 SITE 1 BC2 6 LEU C 10 HIS C 11 HIS C 12 GLU C 13 SITE 1 BC3 7 GLN D 9 TRP D 16 ARG D 17 GLU E 30 >PRO~A 5 57.38 -42.18 101.06 56.21 -40.59 99.99 56.80 -41.39 100.53 3 0 9.25 -999 ? O3 PO4 C 511 >LEU~A 6 59.10 -36.10 98.92 60.61 -35.80 100.44 59.86 -35.95 99.68 3 0 5.44 -999 ? O3 PO4 C 511 >ILE~A 7 61.51 -41.19 98.03 62.97 -41.05 98.35 62.24 -41.12 98.19 3 0 8.99 -999 ? O3 PO4 C 511 >ASP~A 8 57.42 -41.54 94.65 56.26 -40.35 95.98 56.84 -40.95 95.31 2 0 11.68 -999 ? O3 PO4 C 511 >GLN~A 9 56.98 -35.09 94.00 55.97 -34.01 95.54 56.48 -34.55 94.77 2 0 10.85 -999 ? O3 PO4 C 511 >LEU~A 10 62.84 -36.54 94.56 63.38 -34.82 95.75 63.11 -35.68 95.16 3 0 9.56 -999 ? O3 PO4 C 511 >HIS~A 11 62.22 -42.10 90.76 62.70 -43.47 89.24 62.46 -42.79 90.00 3 0 10.77 -999 ? O4 PO4 E 509 >HIS~A 12 57.40 -38.67 87.68 56.35 -38.84 85.87 56.88 -38.75 86.78 3 0 18.20 -999 ? O4 PO4 E 509 >GLU~A 13 60.34 -33.85 90.39 60.59 -32.40 91.90 60.46 -33.13 91.15 2 0 12.99 -999 ? O3 PO4 C 511 >ASP~A 14 64.24 -37.70 86.25 65.72 -39.00 85.49 64.98 -38.35 85.87 2 0 12.14 -999 ? O1 PO4 E 509 >SER.A 15 66.84 -34.13 88.43 65.25 -32.51 89.25 66.04 -33.32 88.84 2 0 15.75 -999 ? O1 PO4 E 509 >TRP~A 16 68.34 -39.01 88.69 70.81 -40.47 85.98 69.57 -39.74 87.34 3 0 8.41 -999 ? O1 PO4 E 509 >ARG~A 17 69.55 -38.10 83.50 69.93 -40.96 82.53 69.74 -39.53 83.02 2 0 11.00 -999 ? O1 PO4 E 509 >LEU~A 18 70.53 -31.08 86.65 68.74 -30.02 86.07 69.63 -30.55 86.36 3 0 16.40 -999 ? O1 PO4 E 509 >PHE~A 19 74.47 -34.01 89.59 73.55 -33.81 92.23 74.01 -33.91 90.91 3 0 11.57 -999 ? O1 PO4 E 509 >ARG~A 20 75.56 -36.80 81.17 77.49 -39.09 80.57 76.53 -37.94 80.87 2 0 13.39 -999 ? O1 PO4 E 509 >ILE~A 21 72.64 -31.09 82.05 71.36 -31.01 81.54 72.00 -31.05 81.80 3 0 17.61 -999 ? O1 PO4 E 509 >LEU~A 22 75.47 -28.61 85.74 74.07 -27.21 86.59 74.77 -27.91 86.17 3 0 18.44 -999 ? O1 PO4 E 509 >ALA~A 23 79.13 -30.36 83.95 79.43 -31.83 84.28 79.28 -31.10 84.11 2 0 16.51 -999 ? O1 PO4 E 509 >GLU~A 24 78.08 -32.51 79.38 76.72 -33.62 78.18 77.40 -33.06 78.78 2 0 18.01 -999 ? O4 PO4 A 501 >PHE~A 25 75.35 -25.92 80.08 72.98 -25.86 78.56 74.16 -25.89 79.32 3 0 20.48 -999 ? O4 PO4 A 501 >VAL~A 26 80.55 -25.57 82.61 80.70 -25.50 84.80 80.63 -25.53 83.71 3 0 16.49 -999 ? O3 PO4 F 510 >GLU~A 27 84.52 -29.57 79.98 84.46 -31.60 79.42 84.49 -30.59 79.70 2 0 20.63 -999 ? O3 PO4 F 510 >GLY~A 28 81.98 -26.15 77.48 82.21 -25.74 78.17 82.09 -25.95 77.82 1 0 20.41 -999 ? O4 PO4 A 501 >PHE~A 29 79.89 -21.96 79.68 77.09 -22.08 79.34 78.49 -22.02 79.51 3 0 19.22 -999 ? O3 PO4 C 507 >GLU~A 30 85.30 -24.02 82.64 85.81 -25.54 84.04 85.55 -24.78 83.34 2 0 13.36 -999 ? O3 PO4 F 510 >THR~A 31 87.00 -24.52 77.04 87.08 -26.56 76.37 87.04 -25.54 76.71 2 0 19.88 -999 ? O3 PO4 F 510 >LEU~A 32 84.07 -22.27 73.86 83.42 -23.92 72.59 83.74 -23.10 73.22 3 0 19.43 -999 ? O4 PO4 A 501 >SER~A 33 86.07 -19.16 76.55 84.28 -18.73 78.13 85.18 -18.95 77.34 2 0 17.73 -999 ? O3 PO4 F 510 >GLU~A 34 90.24 -21.15 78.58 91.14 -22.91 79.31 90.69 -22.03 78.95 2 0 15.43 -999 ? O3 PO4 F 510 >LEU~A 35 89.14 -20.40 71.72 89.10 -22.55 71.45 89.12 -21.47 71.58 3 0 22.63 -999 ? O4 PO4 A 501 >GLN.A 36 93.21 -16.48 73.37 95.15 -16.18 74.19 94.18 -16.33 73.78 2 0 20.63 -999 ? O3 PO4 F 510 >VAL.A 37 90.40 -16.49 67.82 91.44 -18.24 67.05 90.92 -17.37 67.43 3 0 24.76 -999 ? O4 PO4 A 501 >PRO.A 38 88.08 -13.60 65.67 87.68 -15.53 66.65 87.88 -14.57 66.16 3 0 24.52 -999 ? O4 PO4 A 501 >LEU^A 39 84.58 -19.46 67.49 86.01 -20.40 68.80 85.30 -19.93 68.14 3 0 19.61 -999 ? O4 PO4 A 501 >VAL^A 40 82.75 -19.54 63.24 83.06 -18.73 61.25 82.91 -19.14 62.25 3 0 17.36 -999 ? O4 PO4 A 501 >SER^A 41 80.14 -22.30 63.53 79.20 -22.14 65.71 79.67 -22.22 64.62 2 0 13.89 -999 ? O4 PO4 A 501 >VAL^A 42 80.00 -24.48 60.43 81.69 -24.20 59.11 80.84 -24.34 59.77 3 0 11.79 -999 ? O1 PO4 A 501 >PHE^A 43 76.06 -26.04 61.26 76.13 -24.59 63.65 76.10 -25.31 62.46 3 0 9.00 -999 ? O4 PO4 A 501 >GLY.A 44 77.08 -29.75 56.78 77.00 -30.15 57.53 77.04 -29.95 57.15 1 0 5.54 -999 ? O1 PO4 A 501 >SER.A 45 76.03 -33.31 55.95 75.66 -35.19 54.43 75.84 -34.25 55.19 2 0 -4.28 -999 ? O2 PO4 A 501s >ALA.A 46 77.49 -36.14 57.99 76.89 -36.64 59.29 77.19 -36.39 58.64 2 0 -3.57 -999 ? O2 PO4 A 501s >ARG.A 47 73.32 -39.57 55.67 70.93 -40.58 57.31 72.12 -40.07 56.49 2 0 6.25 -999 ? O3 PO4 A 501 >PHE.A 48 76.77 -35.02 51.24 74.03 -34.72 50.68 75.40 -34.87 50.96 3 0 7.51 -999 ? O2 PO4 A 501 >GLY.A 49 82.22 -37.88 52.07 81.99 -37.52 51.44 82.11 -37.70 51.75 1 0 10.81 -999 ? O2 PO4 A 501 >GLU.A 50 87.90 -37.08 50.97 89.75 -38.08 51.00 88.82 -37.58 50.99 2 0 17.74 -999 ? O2 PO4 A 501 >GLY.A 51 84.89 -36.54 46.55 84.42 -36.14 47.08 84.65 -36.34 46.81 1 0 16.18 -999 ? O2 PO4 A 501 >HIS~A 52 79.05 -35.28 48.08 77.07 -34.63 47.88 78.06 -34.96 47.98 3 0 11.14 -999 ? O2 PO4 A 501 >PRO~A 53 79.56 -32.31 44.38 80.84 -32.19 46.17 80.20 -32.25 45.27 3 0 14.74 -999 ? O2 PO4 A 501 >ALA~A 54 79.75 -30.59 49.65 78.57 -31.20 50.36 79.16 -30.90 50.00 2 0 9.97 -999 ? O2 PO4 A 501 >TYR~A 55 84.44 -34.06 51.79 86.58 -34.84 53.40 85.51 -34.45 52.60 3 0 12.96 -999 ? O2 PO4 A 501 >GLU~A 56 85.67 -32.03 46.82 87.12 -33.04 48.02 86.39 -32.54 47.42 2 0 16.87 -999 ? O2 PO4 A 501 >ALA~A 57 83.57 -27.12 49.32 82.10 -26.84 49.01 82.83 -26.98 49.17 2 0 14.54 -999 ? O1 PO4 A 501 >GLY~A 58 83.68 -27.76 53.05 84.32 -27.78 52.49 84.00 -27.77 52.77 1 0 13.18 -999 ? O1 PO4 A 501 >TYR~A 59 89.62 -29.49 52.33 92.32 -29.31 53.03 90.97 -29.40 52.68 3 0 18.83 -999 ? O2 PO4 A 501 >ARG~A 60 87.85 -24.81 47.19 86.04 -22.69 45.85 86.94 -23.75 46.52 2 0 20.90 -999 ? O1 PO4 A 501 >LEU~A 61 84.38 -23.50 53.94 83.20 -22.06 55.02 83.79 -22.78 54.48 3 0 15.42 -999 ? O1 PO4 A 501 >GLY~A 62 87.65 -24.74 56.48 87.95 -24.33 55.81 87.80 -24.54 56.15 1 0 17.04 -999 ? O4 PO4 A 501 >ARG~A 63 92.79 -23.76 51.64 92.69 -25.69 49.26 92.74 -24.73 50.45 2 0 22.83 -999 ? O2 PO4 A 501 >ALA~A 64 89.99 -20.34 54.03 88.88 -19.96 53.10 89.44 -20.15 53.57 2 0 21.29 -999 ? O1 PO4 A 501 >LEU~A 65 87.53 -20.13 58.20 85.43 -19.78 57.91 86.48 -19.96 58.06 3 0 18.81 -999 ? O1 PO4 A 501 >ALA~A 66 91.87 -20.66 59.19 92.45 -22.05 59.07 92.16 -21.35 59.13 2 0 22.12 -999 ? O4 PO4 A 501 >GLU~A 67 94.70 -19.96 54.64 94.27 -20.33 52.57 94.48 -20.15 53.61 2 0 25.55 -999 ? O1 PO4 A 501 >ALA~A 68 91.85 -15.53 57.44 90.41 -15.35 57.00 91.13 -15.44 57.22 2 0 24.87 -999 ? O1 PO4 A 501 >GLY~A 69 92.40 -16.11 61.13 91.76 -16.43 60.87 92.08 -16.27 61.00 1 0 25.70 -999 ? O4 PO4 A 501 >PHE.A 70 87.40 -16.38 61.11 86.67 -13.82 60.31 87.04 -15.10 60.71 3 0 22.87 -999 ? O1 PO4 A 501 >GLY^A 71 88.77 -20.97 64.29 88.07 -20.57 63.84 88.42 -20.77 64.06 1 0 20.11 -999 ? O4 PO4 A 501 >VAL^A 72 86.08 -23.38 63.08 86.86 -24.30 61.26 86.47 -23.84 62.17 3 0 16.24 -999 ? O4 PO4 A 501 >VAL^A 73 83.59 -25.12 65.35 83.09 -24.26 67.28 83.34 -24.69 66.32 3 0 14.46 -999 ? O4 PO4 A 501 >THR^A 74 81.71 -28.15 63.99 83.20 -29.00 62.67 82.46 -28.57 63.33 2 0 10.83 -999 ? O4 PO4 A 501 >GLY.A 75 79.88 -31.14 65.45 80.62 -31.20 65.08 80.25 -31.17 65.26 1 0 8.36 -999 ? O4 PO4 A 501 >GLY.A 76 83.09 -33.17 65.13 82.44 -33.31 64.72 82.76 -33.24 64.92 1 0 10.49 -999 ? O4 PO4 A 501 >GLY.A 77 81.36 -35.78 62.97 81.86 -35.28 62.64 81.61 -35.53 62.81 1 0 8.29 -999 ? O4 PO4 A 501 >PRO~A 78 80.93 -39.15 60.55 81.73 -37.11 60.12 81.33 -38.13 60.34 3 0 8.33 -999 ? O2 PO4 A 501 >GLY~A 79 81.18 -35.83 56.01 81.68 -35.54 56.53 81.43 -35.69 56.27 1 0 7.69 -999 ? O2 PO4 A 501 >VAL~A 80 81.22 -32.08 55.59 79.94 -30.74 54.47 80.58 -31.41 55.03 3 0 8.25 -999 ? O2 PO4 A 501 >MET?A 81 82.03 -31.54 59.24 78.84 -32.62 61.94 80.44 -32.08 60.59 2 0 5.45 -999 ? O4 PO4 A 501 >GLU~A 82 86.59 -35.66 58.22 86.64 -37.77 58.35 86.62 -36.72 58.28 2 0 13.05 -999 ? O2 PO4 A 501 >ALA~A 83 86.16 -31.79 55.67 85.35 -31.70 54.38 85.75 -31.75 55.03 2 0 12.54 -999 ? O2 PO4 A 501 >VAL~A 84 85.62 -28.45 57.42 83.94 -27.12 57.80 84.78 -27.79 57.61 3 0 12.87 -999 ? O4 PO4 A 501 >ASN~A 85 87.39 -30.62 61.44 85.83 -30.16 62.81 86.61 -30.39 62.13 2 0 12.84 -999 ? O4 PO4 A 501 >ARG~A 86 91.01 -33.79 55.59 92.13 -36.10 53.95 91.57 -34.94 54.77 2 0 18.79 -999 ? O2 PO4 A 501 >GLY~A 87 90.67 -27.84 56.03 90.74 -27.95 56.87 90.70 -27.89 56.45 1 0 18.36 -999 ? O2 PO4 A 501 >ALA~A 88 91.18 -25.81 59.18 90.13 -25.60 60.24 90.65 -25.70 59.71 2 0 18.31 -999 ? O4 PO4 A 501 >TYR~A 89 93.95 -30.54 62.06 95.52 -31.99 63.85 94.73 -31.26 62.96 3 0 21.30 -999 ? O4 PO4 A 501 >GLU~A 90 95.31 -31.06 56.97 94.62 -32.17 55.30 94.97 -31.61 56.14 2 0 21.13 -999 ? O2 PO4 A 501 >ALA~A 91 96.05 -24.98 57.52 94.98 -24.08 56.91 95.51 -24.53 57.21 2 0 23.61 -999 ? O4 PO4 A 501 >GLY.A 92 97.15 -24.80 61.13 96.44 -24.58 60.90 96.80 -24.69 61.02 1 0 25.08 -999 ? O4 PO4 A 501 >GLY.A 93 94.03 -23.19 62.50 94.15 -23.98 62.67 94.09 -23.58 62.59 1 0 22.97 -999 ? O4 PO4 A 501 >VAL.A 94 91.97 -23.85 65.61 91.54 -22.76 67.44 91.75 -23.31 66.53 3 0 21.71 -999 ? O4 PO4 A 501 >SER^A 95 89.55 -26.70 64.83 88.93 -28.49 63.32 89.24 -27.59 64.08 2 0 16.34 -999 ? O4 PO4 A 501 >VAL^A 96 86.79 -27.46 67.36 86.35 -26.13 69.06 86.57 -26.79 68.21 3 0 16.55 -999 ? O4 PO4 A 501 >GLY^A 97 84.41 -30.39 67.45 84.50 -29.98 68.20 84.45 -30.18 67.83 1 0 13.21 -999 ? O4 PO4 A 501 >LEU^A 98 80.29 -29.33 69.60 80.64 -27.29 70.27 80.47 -28.31 69.94 3 0 12.86 -999 ? O4 PO4 A 501 >ASN^A 99 82.01 -35.24 69.53 83.77 -34.63 68.50 82.89 -34.94 69.01 2 0 12.91 -999 ? O4 PO4 A 501 >ILE^A 100 76.23 -35.24 69.33 75.51 -35.37 69.64 75.87 -35.30 69.48 3 0 9.44 -999 ? O4 PO4 A 501 >GLU.A 101 78.44 -38.48 73.82 79.07 -39.05 75.75 78.76 -38.77 74.78 2 0 17.07 -999 ? O4 PO4 A 501 >LEU.A 102 74.41 -40.83 68.32 73.60 -39.00 67.50 74.01 -39.91 67.91 3 0 9.69 -999 ? O4 PO4 A 501 >PRO.A 103 71.00 -43.45 70.43 73.13 -43.96 70.04 72.07 -43.70 70.24 3 0 14.02 -999 ? O3 PO4 A 501 >HIS.A 104 72.47 -46.47 65.84 70.81 -47.68 66.29 71.64 -47.08 66.06 3 0 13.98 -999 ? O3 PO4 A 501 >GLU.A 105 78.69 -43.26 69.72 78.72 -41.18 69.36 78.70 -42.22 69.54 2 0 12.65 -999 ? O4 PO4 A 501 >GLN.A 106 77.79 -41.07 62.95 76.91 -39.33 62.07 77.35 -40.20 62.51 2 0 6.50 -999 ? O2 PO4 A 501 >LYS.A 107 83.39 -41.74 65.19 83.94 -46.44 62.51 83.66 -44.09 63.85 2 0 15.82 -999 ? O2 PO4 A 501 >PRO.A 108 84.82 -39.06 68.22 84.64 -38.97 65.99 84.73 -39.02 67.11 3 0 13.90 -999 ? O4 PO4 A 501 >ASN.A 109 86.60 -36.07 61.92 86.63 -34.02 62.55 86.62 -35.05 62.23 2 0 13.07 -999 ? O4 PO4 A 501 >PRO.A 110 90.73 -38.68 62.16 90.06 -36.88 63.33 90.39 -37.78 62.75 3 0 17.29 -999 ? O4 PO4 A 501 >TYR.A 111 90.99 -33.74 60.32 91.71 -35.76 58.51 91.35 -34.75 59.42 3 0 17.49 -999 ? O2 PO4 A 501 >GLN.A 112 87.70 -32.52 65.94 86.26 -33.58 67.13 86.98 -33.05 66.53 2 0 14.21 -999 ? O4 PO4 A 501 >THR.A 113 92.38 -29.05 67.84 93.49 -27.23 67.43 92.94 -28.14 67.64 2 0 21.96 -999 ? O4 PO4 A 501 >HIS^A 114 90.60 -26.83 71.39 92.25 -25.66 71.98 91.42 -26.24 71.68 3 0 22.28 -999 ? O4 PO4 A 501 >ALA^A 115 87.32 -31.96 71.11 87.78 -33.33 70.65 87.55 -32.65 70.88 2 0 17.38 -999 ? O4 PO4 A 501 >LEU^A 116 83.71 -30.64 73.76 84.43 -29.07 75.08 84.07 -29.85 74.42 3 0 17.83 -999 ? O4 PO4 A 501 >SER^A 117 81.93 -34.90 73.85 83.31 -36.43 75.16 82.62 -35.66 74.50 2 0 17.78 -999 ? O4 PO4 A 501 >LEU^A 118 77.90 -32.72 74.30 78.81 -30.77 74.51 78.35 -31.74 74.41 3 0 14.87 -999 ? O4 PO4 A 501 >ARG.A 119 75.86 -39.44 76.61 77.65 -41.47 78.10 76.75 -40.46 77.35 2 0 14.74 -999 ? O1 PO4 E 509 >TYR~A 120 72.08 -33.85 77.29 71.42 -35.65 79.33 71.75 -34.75 78.31 3 0 17.33 -999 ? O1 PO4 E 509 >PHE~A 121 71.08 -33.31 69.75 71.68 -35.27 67.83 71.38 -34.29 68.79 3 0 8.71 -999 ? O4 PO4 A 501 >PHE~A 122 69.79 -29.35 75.90 70.06 -30.50 78.45 69.92 -29.92 77.17 3 0 17.60 -999 ? O4 PO4 A 501 >VAL~A 123 74.06 -28.26 75.37 75.12 -29.06 77.10 74.59 -28.66 76.24 3 0 16.64 -999 ? O4 PO4 A 501 >ARG~A 124 76.61 -31.14 69.24 76.52 -32.57 66.55 76.57 -31.86 67.89 2 0 6.84 -999 ? O4 PO4 A 501 >LYS~A 125 73.48 -26.16 70.35 68.75 -28.08 68.56 71.11 -27.12 69.46 2 0 11.11 -999 ? O4 PO4 A 501 >VAL~A 126 74.18 -23.59 73.07 73.55 -23.21 75.16 73.86 -23.40 74.12 3 0 17.17 -999 ? O4 PO4 A 501 >LEU~A 127 78.79 -25.15 72.96 79.34 -25.66 74.98 79.06 -25.41 73.97 3 0 16.78 -999 ? O4 PO4 A 501 >PHE~A 128 77.17 -25.42 67.32 78.38 -27.52 65.90 77.77 -26.47 66.61 3 0 10.38 -999 ? O4 PO4 A 501 >VAL~A 129 76.07 -19.92 69.33 73.91 -20.24 69.57 74.99 -20.08 69.45 3 0 16.44 -999 ? O4 PO4 A 501 >ARG~A 130 77.64 -19.67 76.38 78.14 -18.40 79.14 77.89 -19.04 77.76 2 0 16.84 -999 ? O3 PO4 C 507 >TYR~A 131 81.89 -18.94 73.13 81.68 -19.30 75.90 81.79 -19.12 74.51 3 0 21.75 -999 ? O2 PO4 C 507 >ALA^A 132 80.02 -17.51 67.38 78.99 -18.36 66.66 79.50 -17.94 67.02 2 0 17.42 -999 ? O4 PO4 A 501 >VAL^A 133 80.71 -14.55 65.10 82.89 -14.38 65.21 81.80 -14.46 65.15 3 0 21.44 -999 ? O4 PO4 A 501 >GLY^A 134 78.97 -16.30 62.21 79.08 -16.87 62.79 79.03 -16.59 62.50 1 0 18.05 -999 ? O1 PO4 A 501 >PHE^A 135 75.65 -19.26 62.86 75.48 -18.53 65.55 75.57 -18.89 64.21 3 0 15.34 -999 ? O1 PO4 A 501 >VAL^A 136 77.79 -21.30 57.61 79.62 -20.89 56.49 78.71 -21.09 57.05 3 0 13.21 -999 ? O1 PO4 A 501 >PHE^A 137 73.56 -23.37 58.13 73.26 -22.62 60.83 73.41 -23.00 59.48 3 0 9.89 -999 ? O1 PO4 A 501 >LEU.A 138 77.99 -27.05 53.83 80.00 -26.25 53.62 79.00 -26.65 53.72 3 0 9.94 -999 ? O1 PO4 A 501 >PRO.A 139 75.15 -28.47 50.02 74.88 -28.55 52.25 75.02 -28.51 51.14 3 0 8.75 -999 ? O1 PO4 A 501 >GLY.A 140 73.24 -31.39 54.96 72.58 -31.20 54.43 72.91 -31.29 54.69 1 0 -3.77 -999 ? O1 PO4 A 501s >GLY~A 141 70.19 -33.26 56.25 70.47 -32.69 56.78 70.33 -32.98 56.52 1 0 -3.38 -999 ? O1 PO4 A 501s >PHE~A 142 66.18 -34.92 59.41 63.92 -35.91 58.05 65.05 -35.42 58.73 3 0 -6.77 -999 ? O3 PO4 A 501s >GLY~A 143 70.96 -32.21 61.67 70.67 -31.82 61.00 70.82 -32.02 61.33 1 0 -3.42 -999 ? O4 PO4 A 501s >THR~A 144 71.82 -29.17 59.59 73.13 -28.94 57.92 72.48 -29.06 58.76 2 0 -3.92 -999 ? O1 PO4 A 501s >LEU~A 145 67.10 -28.90 58.56 65.34 -27.63 58.65 66.22 -28.26 58.60 3 0 7.96 -999 ? O1 PO4 A 501 >ASP~A 146 67.98 -29.50 63.71 67.97 -29.23 65.82 67.98 -29.37 64.77 2 0 9.10 -999 ? O4 PO4 A 501 >GLU~A 147 72.92 -27.18 64.13 73.21 -26.36 66.09 73.07 -26.77 65.11 2 0 9.33 -999 ? O4 PO4 A 501 >LEU~A 148 69.39 -23.90 59.31 68.85 -22.31 57.93 69.12 -23.10 58.62 3 0 10.37 -999 ? O1 PO4 A 501 >SER~A 149 66.04 -23.19 61.97 65.10 -25.33 62.79 65.57 -24.26 62.38 2 0 10.35 -999 ? O4 PO4 B 503 >GLU~A 150 68.29 -22.92 67.80 69.34 -24.09 69.22 68.81 -23.51 68.51 2 0 13.80 -999 ? O4 PO4 A 501 >VAL~A 151 69.61 -19.81 64.74 71.32 -20.53 63.54 70.46 -20.17 64.14 3 0 13.19 -999 ? O4 PO4 B 503 >LEU~A 152 66.27 -18.81 61.31 67.12 -18.65 59.32 66.69 -18.73 60.31 3 0 10.23 -999 ? O4 PO4 B 503 >VAL~A 153 64.58 -18.10 65.39 63.27 -19.52 66.44 63.93 -18.81 65.91 3 0 6.71 -999 ? O4 PO4 B 503 >LEU~A 154 68.55 -17.36 68.07 68.87 -18.78 69.69 68.71 -18.07 68.88 3 0 12.18 -999 ? O4 PO4 B 503 >LEU~A 155 68.67 -14.16 63.85 70.82 -14.22 63.65 69.74 -14.19 63.75 3 0 13.19 -999 ? O4 PO4 B 503 >GLN~A 156 61.90 -13.72 63.56 60.50 -15.29 63.23 61.20 -14.51 63.39 2 0 4.79 -999 ? O4 PO4 B 503 >THR~A 157 63.27 -12.70 67.85 62.83 -14.69 68.60 63.05 -13.70 68.22 2 0 7.91 -999 ? O4 PO4 B 503 >GLU.A 158 66.07 -8.97 67.28 65.48 -6.93 67.20 65.78 -7.95 67.24 2 0 14.53 -999 ? O4 PO4 B 503 >LYS.A 159 67.72 -13.26 71.56 64.88 -14.71 75.75 66.30 -13.99 73.65 2 0 13.67 -999 ? O3 PO4 B 503 >VAL.A 160 71.28 -13.18 70.18 71.36 -15.25 69.50 71.32 -14.22 69.84 3 0 15.59 -999 ? O4 PO4 B 503 >HIS.A 161 75.26 -9.40 67.23 75.77 -8.04 65.72 75.52 -8.72 66.47 3 0 20.80 -999 ? O4 PO4 B 503 >ARG.A 162 69.29 -10.22 63.32 66.64 -8.68 63.75 67.96 -9.45 63.53 2 0 13.66 -999 ? O4 PO4 B 503 >PHE.A 163 77.17 -12.79 65.33 78.12 -11.85 67.80 77.64 -12.32 66.56 3 0 21.35 -999 ? O4 PO4 B 503 >PRO.A 164 78.15 -12.06 59.63 76.27 -13.08 60.25 77.21 -12.57 59.94 3 0 20.78 -999 ? O1 PO4 A 501 >VAL^A 165 74.29 -16.48 58.42 72.57 -17.36 59.41 73.43 -16.92 58.92 3 0 15.91 -999 ? O1 PO4 A 501 >PHE^A 166 77.18 -16.51 54.73 78.11 -13.90 54.83 77.64 -15.21 54.78 3 0 18.63 -999 ? O1 PO4 A 501 >LEU^A 167 72.37 -21.09 52.78 70.82 -21.08 54.28 71.59 -21.09 53.53 3 0 12.75 -999 ? O1 PO4 A 501 >LEU^A 168 77.75 -22.98 51.11 79.54 -21.79 50.96 78.64 -22.38 51.04 3 0 14.06 -999 ? O1 PO4 A 501 >ASP~A 169 75.36 -25.49 47.71 74.81 -26.69 46.06 75.08 -26.09 46.89 2 0 13.94 -999 ? O1 PO4 A 501 >ARG~A 170 72.86 -18.86 44.18 73.68 -16.16 45.36 73.27 -17.51 44.77 2 0 21.18 -999 ? O1 PO4 A 501 >GLY~A 171 70.56 -25.05 44.11 70.79 -25.05 44.88 70.68 -25.05 44.50 1 0 16.42 -999 ? O1 PO4 A 501 >TYR~A 172 71.75 -28.80 48.86 71.45 -31.03 50.51 71.60 -29.92 49.69 3 0 9.26 -999 ? O1 PO4 A 501 >TRP~A 173 71.86 -24.26 50.65 70.88 -25.75 54.15 71.37 -25.00 52.40 3 0 9.95 -999 ? O1 PO4 A 501 >GLU~A 174 65.64 -23.22 44.31 65.89 -21.13 44.65 65.76 -22.17 44.48 2 0 19.31 -999 ? O1 PO4 A 501 >GLY~A 175 63.44 -25.78 47.86 63.91 -25.26 48.29 63.68 -25.52 48.08 1 0 15.73 -999 ? O1 PO4 A 501 >LEU~A 176 64.86 -24.91 52.45 64.37 -24.39 54.49 64.61 -24.65 53.47 3 0 12.54 -999 ? O1 PO4 A 501 >VAL~A 177 64.11 -20.96 50.64 65.77 -19.60 50.18 64.94 -20.28 50.41 3 0 16.08 -999 ? O4 PO4 B 503 >ARG~A 178 61.56 -22.06 44.53 62.52 -22.51 41.64 62.04 -22.28 43.09 2 0 22.18 -999 ? O1 PO4 A 501 >TRP~A 179 56.76 -24.60 52.28 57.71 -24.85 56.10 57.23 -24.72 54.19 3 0 11.08 -999 ? O2 PO4 B 503 >LEU~A 180 61.62 -19.68 53.73 62.60 -20.75 55.35 62.11 -20.22 54.54 3 0 11.14 -999 ? O4 PO4 B 503 >ALA~A 181 59.13 -17.37 50.77 59.64 -17.31 49.35 59.39 -17.34 50.06 2 0 15.38 -999 ? O4 PO4 B 503 >PHE~A 182 54.17 -21.11 50.91 51.68 -22.14 51.65 52.92 -21.63 51.28 3 0 13.31 -999 ? O2 PO4 B 503 >LEU~A 183 56.73 -19.26 55.62 56.69 -21.27 56.46 56.71 -20.27 56.04 3 0 8.28 -999 ? O2 PO4 B 503 >ARG~A 184 58.14 -12.23 52.28 60.35 -12.77 50.25 59.25 -12.50 51.27 2 0 15.71 -999 ? O4 PO4 B 503 >ASP~A 185 53.09 -15.67 50.09 54.56 -15.28 48.62 53.82 -15.48 49.36 2 0 16.23 -999 ? O1 PO4 B 503 >GLN~A 186 51.10 -18.86 53.58 49.04 -19.46 53.65 50.07 -19.16 53.61 2 0 12.50 -999 ? O2 PO4 B 503 >LYS.A 187 52.52 -13.74 56.65 48.82 -9.12 56.99 50.67 -11.43 56.82 2 0 13.26 -999 ? O1 PO4 B 503 >ALA.A 188 53.74 -16.45 59.06 53.74 -17.94 58.73 53.74 -17.19 58.89 2 0 6.01 -999 ? O1 PO4 B 503 >VAL.A 189 57.11 -14.68 58.88 58.86 -15.13 57.67 57.98 -14.90 58.28 3 0 7.31 -999 ? O4 PO4 B 503 >GLY.A 190 58.04 -10.99 58.84 58.22 -11.54 58.29 58.13 -11.27 58.56 1 0 9.57 -999 ? O4 PO4 B 503 >PRO.A 191 57.03 -7.50 56.62 58.43 -9.21 56.30 57.73 -8.35 56.46 3 0 12.93 -999 ? O1 PO4 B 503 >GLU~A 192 62.23 -6.33 56.74 62.14 -5.49 54.83 62.19 -5.91 55.79 2 0 17.04 -999 ? O4 PO4 B 503 >ASP~A 193 61.91 -13.07 58.53 61.06 -12.13 60.21 61.48 -12.60 59.37 2 0 8.66 -999 ? O4 PO4 B 503 >LEU~A 194 63.78 -14.05 53.41 62.54 -15.83 53.35 63.16 -14.94 53.38 3 0 13.09 -999 ? O4 PO4 B 503 >GLN~A 195 66.91 -9.20 53.50 65.10 -9.85 52.60 66.01 -9.53 53.05 2 0 16.72 -999 ? O4 PO4 B 503 >LEU~A 196 67.70 -13.75 59.18 66.40 -12.53 60.44 67.05 -13.14 59.81 3 0 12.10 -999 ? O4 PO4 B 503 >PHE~A 197 68.82 -17.02 55.17 66.48 -17.50 53.72 67.65 -17.26 54.45 3 0 14.45 -999 ? O4 PO4 B 503 >ARG^A 198 74.77 -11.92 53.26 77.27 -10.87 51.83 76.02 -11.39 52.54 2 0 23.35 -999 ? O1 PO4 A 501 >LEU^A 199 71.19 -18.08 49.24 70.48 -20.10 49.36 70.84 -19.09 49.30 3 0 16.58 -999 ? O1 PO4 A 501 >THR^A 200 75.76 -18.14 48.07 77.67 -17.41 48.79 76.72 -17.77 48.43 2 0 18.82 -999 ? O1 PO4 A 501 >ASP.A 201 77.62 -20.63 44.43 75.78 -21.58 43.95 76.70 -21.11 44.19 2 0 18.56 -999 ? O1 PO4 A 501 >GLU~A 202 80.93 -17.50 44.66 80.60 -15.51 44.03 80.77 -16.51 44.34 2 0 23.83 -999 ? O1 PO4 A 501 >PRO~A 203 83.50 -21.89 48.93 82.91 -19.76 49.23 83.20 -20.83 49.08 3 0 18.44 -999 ? O1 PO4 A 501 >GLU~A 204 84.85 -15.97 46.81 84.64 -17.60 45.48 84.75 -16.78 46.15 2 0 23.24 -999 ? O1 PO4 A 501 >GLU~A 205 79.83 -13.51 49.18 78.43 -13.24 47.62 79.13 -13.37 48.40 2 0 23.06 -999 ? O1 PO4 A 501 >VAL~A 206 81.49 -16.02 53.07 80.54 -17.87 53.76 81.02 -16.94 53.42 3 0 18.57 -999 ? O1 PO4 A 501 >VAL~A 207 85.04 -15.54 54.33 86.83 -16.73 54.25 85.93 -16.13 54.29 3 0 21.65 -999 ? O1 PO4 A 501 >GLN~A 208 84.75 -10.06 51.29 84.72 -9.52 49.22 84.73 -9.79 50.25 2 0 27.75 -999 ? O1 PO4 A 501 >ALA~A 209 81.88 -11.07 54.82 80.53 -11.73 54.60 81.20 -11.40 54.71 2 0 22.79 -999 ? O1 PO4 A 501 >LEU~A 210 83.52 -14.02 58.30 82.06 -15.55 58.76 82.79 -14.78 58.53 3 0 20.63 -999 ? O1 PO4 A 501 >LYS~A 211 86.52 -10.69 57.70 90.95 -11.56 53.86 88.73 -11.13 55.78 2 0 28.34 -999 ? O1 PO4 A 501 >ALA~A 212 84.65 -7.45 57.10 83.87 -7.14 55.83 84.26 -7.30 56.46 2 0 28.09 -999 ? O1 PO4 A 501 >LEU.B 6 91.07 -17.05 88.49 90.89 -17.57 90.59 90.98 -17.31 89.54 3 0 5.13 -999 ? O3 PO4 F 510 >ILE.B 7 88.65 -11.83 89.15 87.61 -12.01 90.12 88.13 -11.92 89.64 3 0 9.28 -999 ? O3 PO4 F 510 >ASP~B 8 89.93 -11.78 83.91 90.57 -9.91 84.67 90.25 -10.84 84.29 2 0 13.39 -999 ? O3 PO4 F 510 >GLN~B 9 88.86 -18.43 83.21 89.60 -20.12 84.28 89.23 -19.28 83.75 2 0 10.23 -999 ? O3 PO4 F 510 >LEU~B 10 85.31 -17.64 86.76 85.20 -16.59 88.65 85.25 -17.12 87.71 3 0 9.35 -999 ? O3 PO4 F 510 >HIS~B 11 83.63 -11.31 84.21 82.28 -9.76 83.85 82.95 -10.54 84.03 3 0 10.72 -999 ? O2 PO4 C 507 >HIS~B 12 85.31 -14.57 78.43 85.05 -14.96 76.38 85.18 -14.77 77.41 3 0 18.51 -999 ? O2 PO4 C 507 >GLU~B 13 83.27 -20.04 82.45 84.46 -21.08 83.87 83.86 -20.56 83.16 2 0 12.75 -999 ? O3 PO4 F 510 >ASP~B 14 78.74 -15.56 81.32 79.46 -13.67 80.72 79.10 -14.61 81.02 2 0 13.22 -999 ? O2 PO4 C 507 >SER~B 15 78.50 -19.22 84.52 80.43 -20.72 84.43 79.47 -19.97 84.47 2 0 14.95 -999 ? O3 PO4 F 510 >TRP~B 16 77.52 -14.30 85.51 74.00 -12.63 84.92 75.76 -13.46 85.21 3 0 8.70 -999 ? O3 PO4 C 507 >ARG~B 17 73.75 -14.84 81.85 73.16 -11.94 81.04 73.46 -13.39 81.44 2 0 11.25 -999 ? O3 PO4 C 507 >LEU~B 18 74.39 -21.95 85.26 75.50 -22.99 83.74 74.94 -22.47 84.50 3 0 16.44 -999 ? O3 PO4 C 507 >PHE~B 19 72.83 -19.09 90.10 75.14 -19.29 91.68 73.99 -19.19 90.89 3 0 11.65 -999 ? O3 PO4 C 507 >ARG~B 20 66.53 -16.53 84.07 66.11 -13.55 84.60 66.32 -15.04 84.34 2 0 12.02 -999 ? O3 PO4 C 507 >ILE~B 21 70.02 -22.09 82.86 70.77 -22.20 81.68 70.39 -22.15 82.26 3 0 17.57 -999 ? O3 PO4 C 507 >LEU~B 22 69.98 -24.35 87.54 71.17 -26.14 87.78 70.58 -25.24 87.66 3 0 18.40 -999 ? O3 PO4 C 507 >ALA~B 23 65.86 -22.68 88.27 65.74 -21.22 88.71 65.80 -21.95 88.49 2 0 16.20 -999 ? O3 PO4 C 507 >GLU~B 24 64.19 -20.77 83.89 64.38 -19.68 82.08 64.29 -20.23 82.99 2 0 17.76 -999 ? O3 PO4 B 503 >PHE~B 25 66.67 -27.34 83.05 67.78 -27.33 80.48 67.22 -27.34 81.77 3 0 20.63 -999 ? O3 PO4 B 503 >VAL~B 26 63.83 -27.57 88.11 64.86 -27.41 90.02 64.34 -27.49 89.06 3 0 17.11 -999 ? O1 PO4 C 511 >GLU~B 27 58.80 -23.89 88.19 58.44 -21.85 87.86 58.62 -22.87 88.02 2 0 20.61 -999 ? O1 PO4 C 511 >GLY~B 28 59.70 -27.24 84.76 59.91 -27.62 85.46 59.80 -27.43 85.11 1 0 20.31 -999 ? O3 PO4 B 503 >PHE~B 29 62.89 -31.29 85.33 64.99 -31.17 83.47 63.94 -31.23 84.40 3 0 18.84 -999 ? O1 PO4 E 509 >GLU~B 30 59.95 -29.15 90.98 60.41 -27.34 91.95 60.18 -28.24 91.46 2 0 14.28 -999 ? O1 PO4 C 511 >THR~B 31 55.45 -28.88 87.32 54.78 -26.88 86.85 55.11 -27.88 87.08 2 0 20.40 -999 ? O1 PO4 C 511 >LEU~B 32 56.12 -31.04 83.03 55.59 -29.49 81.59 55.85 -30.27 82.31 3 0 19.30 -999 ? O3 PO4 B 503 >SER~B 33 56.26 -34.41 86.03 57.59 -34.22 88.06 56.92 -34.32 87.05 2 0 17.10 -999 ? O3 PO4 C 511 >GLU~B 34 52.99 -31.79 89.42 52.45 -30.68 91.14 52.72 -31.23 90.28 2 0 16.92 -999 ? O1 PO4 C 511 >LEU.B 35 50.81 -33.17 84.51 50.83 -30.99 84.57 50.82 -32.08 84.54 3 0 22.77 -999 ? O3 PO4 B 503 >GLN.B 36 47.60 -36.77 88.19 49.17 -38.05 88.86 48.38 -37.41 88.52 2 0 20.50 -999 ? O3 PO4 C 511 >VAL.B 37 47.35 -36.89 82.10 45.97 -35.22 81.98 46.66 -36.06 82.04 3 0 24.73 -999 ? O3 PO4 B 503 >PRO.B 38 47.99 -39.63 78.87 48.92 -37.71 79.54 48.45 -38.67 79.20 3 0 24.39 -999 ? O3 PO4 B 503 >LEU^B 39 52.01 -33.83 78.23 51.76 -33.03 80.21 51.89 -33.43 79.22 3 0 19.49 -999 ? O3 PO4 B 503 >VAL^B 40 50.75 -33.74 73.79 49.24 -34.58 72.42 50.00 -34.16 73.11 3 0 17.34 -999 ? O2 PO4 B 503 >SER^B 41 53.05 -30.91 72.66 55.07 -30.95 73.92 54.06 -30.93 73.29 2 0 13.88 -999 ? O3 PO4 B 503 >VAL^B 42 51.40 -28.65 70.09 49.25 -28.80 69.88 50.33 -28.72 69.99 3 0 11.45 -999 ? O2 PO4 B 503 >PHE^B 43 55.06 -27.12 68.43 56.45 -28.63 70.34 55.75 -27.87 69.38 3 0 9.06 -999 ? O3 PO4 B 503 >GLY.B 44 51.66 -23.33 65.41 52.19 -22.95 65.93 51.92 -23.14 65.67 1 0 -5.09 -999 ? O2 PO4 B 503s >SER.B 45 51.88 -19.74 64.19 51.45 -17.84 62.77 51.67 -18.79 63.48 2 0 -4.02 -999 ? O1 PO4 B 503s >ALA.B 46 51.88 -17.00 66.79 53.08 -16.40 67.44 52.48 -16.70 67.11 2 0 -3.80 -999 ? O1 PO4 B 503s >ARG.B 47 53.69 -13.61 62.39 56.48 -12.43 62.04 55.08 -13.02 62.22 2 0 6.32 -999 ? O1 PO4 B 503 >PHE.B 48 48.37 -18.12 60.97 50.19 -18.26 58.81 49.28 -18.19 59.89 3 0 7.43 -999 ? O1 PO4 B 503 >GLY.B 49 44.42 -15.31 64.88 44.25 -15.67 64.21 44.34 -15.49 64.55 1 0 10.95 -999 ? O1 PO4 B 503 >GLU.B 50 39.68 -15.49 67.43 38.10 -14.65 68.55 38.89 -15.07 67.99 2 0 17.71 -999 ? O1 PO4 B 503 >GLY.B 51 39.11 -16.82 61.79 39.80 -17.22 62.02 39.46 -17.02 61.91 1 0 16.21 -999 ? O1 PO4 B 503 >HIS~B 52 44.80 -18.10 59.70 46.22 -18.83 58.33 45.51 -18.46 59.01 3 0 11.04 -999 ? O1 PO4 B 503 >PRO~B 53 42.20 -20.95 57.01 42.06 -21.08 59.23 42.13 -21.01 58.12 3 0 14.74 -999 ? O1 PO4 B 503 >ALA~B 54 44.99 -22.69 61.35 46.41 -22.12 61.14 45.70 -22.40 61.24 2 0 9.88 -999 ? O2 PO4 B 503 >TYR~B 55 42.64 -19.07 65.82 41.98 -18.26 68.42 42.31 -18.67 67.12 3 0 12.98 -999 ? O1 PO4 B 503 >GLU~B 56 38.65 -21.23 62.57 37.77 -20.48 64.32 38.21 -20.86 63.45 2 0 17.43 -999 ? O1 PO4 B 503 >ALA~B 57 41.86 -26.10 63.45 42.82 -26.45 62.30 42.34 -26.27 62.87 2 0 14.31 -999 ? O2 PO4 B 503 >GLY~B 58 43.96 -25.36 66.52 43.13 -25.40 66.46 43.55 -25.38 66.49 1 0 12.88 -999 ? O2 PO4 B 503 >TYR~B 59 38.84 -23.61 69.57 36.87 -23.74 71.57 37.86 -23.67 70.57 3 0 19.03 -999 ? O1 PO4 B 503 >ARG~B 60 37.22 -27.71 64.18 34.37 -26.56 64.39 35.80 -27.14 64.28 2 0 22.14 -999 ? O2 PO4 B 503 >LEU~B 61 43.89 -29.43 67.58 45.43 -30.90 67.90 44.66 -30.17 67.74 3 0 15.12 -999 ? O2 PO4 B 503 >GLY~B 62 42.76 -28.53 71.68 42.12 -28.92 71.26 42.44 -28.72 71.47 1 0 16.96 -999 ? O2 PO4 B 503 >ARG~B 63 35.56 -29.39 70.97 34.56 -28.13 68.35 35.06 -28.76 69.66 2 0 22.82 -999 ? O2 PO4 B 503 >ALA~B 64 39.34 -32.85 71.04 39.58 -33.19 69.57 39.46 -33.02 70.30 2 0 21.22 -999 ? O2 PO4 B 503 >LEU~B 65 43.89 -32.79 72.78 45.10 -33.32 71.07 44.49 -33.06 71.93 3 0 18.55 -999 ? O2 PO4 B 503 >ALA~B 66 41.15 -32.59 76.30 40.73 -31.19 76.68 40.94 -31.89 76.49 2 0 21.91 -999 ? O3 PO4 B 503 >GLU~B 67 36.56 -32.66 74.75 34.85 -32.16 73.63 35.70 -32.41 74.19 2 0 25.66 -999 ? O2 PO4 B 503 >ALA.B 68 40.14 -37.57 74.94 40.90 -37.63 73.64 40.52 -37.60 74.29 2 0 24.57 -999 ? O2 PO4 B 503 >GLY.B 69 42.08 -37.35 78.19 42.37 -36.93 77.60 42.23 -37.14 77.90 1 0 25.65 -999 ? O3 PO4 B 503 >PHE.B 70 45.60 -36.91 74.81 45.41 -39.39 73.52 45.51 -38.15 74.17 3 0 22.75 -999 ? O2 PO4 B 503 >GLY^B 71 46.67 -32.40 78.31 46.96 -32.79 77.52 46.81 -32.59 77.91 1 0 19.99 -999 ? O3 PO4 B 503 >VAL^B 72 48.18 -29.90 75.86 46.38 -28.96 75.04 47.28 -29.43 75.45 3 0 16.13 -999 ? O3 PO4 B 503 >VAL^B 73 51.56 -28.11 76.08 53.26 -29.00 77.21 52.41 -28.55 76.65 3 0 14.24 -999 ? O3 PO4 B 503 >THR^B 74 52.07 -25.02 73.90 50.06 -24.27 73.87 51.07 -24.64 73.89 2 0 10.75 -999 ? O3 PO4 B 503 >GLY.B 75 54.38 -22.01 73.90 53.53 -22.00 74.09 53.96 -22.00 74.00 1 0 8.11 -999 ? O3 PO4 B 503 >GLY.B 76 51.47 -20.26 75.59 51.87 -20.02 74.93 51.67 -20.14 75.26 1 0 10.27 -999 ? O3 PO4 B 503 >GLY.B 77 51.65 -17.42 73.08 51.03 -17.97 73.01 51.34 -17.69 73.05 1 0 8.18 -999 ? O3 PO4 B 503 >PRO~B 78 50.18 -13.89 71.14 49.68 -16.05 71.06 49.93 -14.97 71.10 3 0 8.80 -999 ? O1 PO4 B 503 >GLY~B 79 47.85 -17.39 67.41 47.66 -17.64 68.10 47.75 -17.51 67.75 1 0 7.73 -999 ? O1 PO4 B 503 >VAL~B 80 47.18 -21.07 67.04 48.33 -22.07 65.47 47.75 -21.57 66.25 3 0 8.21 -999 ? O2 PO4 B 503 >MET?B 81 48.98 -21.61 70.33 53.19 -20.57 70.56 51.09 -21.09 70.44 2 0 -5.16 -999 ? O3 PO4 B 503s >GLU~B 82 44.88 -17.48 72.43 44.59 -15.44 72.01 44.74 -16.46 72.22 2 0 13.06 -999 ? O1 PO4 B 503 >ALA~B 83 43.63 -21.30 70.04 43.56 -21.38 68.52 43.59 -21.34 69.28 2 0 12.57 -999 ? O1 PO4 B 503 >VAL~B 84 44.91 -24.69 71.16 46.42 -26.04 70.39 45.66 -25.36 70.78 3 0 12.75 -999 ? O3 PO4 B 503 >ASN~B 85 46.03 -22.48 75.37 48.07 -23.03 75.55 47.05 -22.76 75.46 2 0 12.66 -999 ? O3 PO4 B 503 >ARG~B 86 39.58 -19.22 73.13 37.48 -17.00 72.91 38.53 -18.11 73.02 2 0 19.44 -999 ? O1 PO4 B 503 >GLY~B 87 40.22 -25.22 72.97 40.63 -25.15 73.67 40.42 -25.19 73.32 1 0 18.09 -999 ? O3 PO4 B 503 >ALA~B 88 41.49 -27.46 75.75 42.92 -27.93 75.87 42.20 -27.69 75.81 2 0 18.30 -999 ? O3 PO4 B 503 >TYR~B 89 41.20 -22.70 79.73 40.86 -21.39 82.17 41.03 -22.04 80.95 3 0 21.05 -999 ? O3 PO4 B 503 >GLU~B 90 37.35 -22.17 76.41 36.49 -20.93 74.91 36.92 -21.55 75.66 2 0 21.35 -999 ? O3 PO4 B 503 >ALA~B 91 36.81 -28.06 77.43 37.44 -28.89 76.33 37.13 -28.48 76.88 2 0 23.13 -999 ? O3 PO4 B 503 >GLY.B 92 38.24 -28.28 80.94 38.66 -28.53 80.34 38.45 -28.41 80.64 1 0 24.64 -999 ? O3 PO4 B 503 >GLY.B 93 41.37 -30.25 80.09 41.39 -29.44 80.31 41.38 -29.84 80.20 1 0 22.82 -999 ? O3 PO4 B 503 >VAL.B 94 44.92 -29.59 81.26 46.19 -30.77 82.55 45.56 -30.18 81.90 3 0 21.61 -999 ? O3 PO4 B 503 >SER^B 95 46.46 -26.69 79.32 45.92 -24.78 77.90 46.19 -25.74 78.61 2 0 16.24 -999 ? O3 PO4 B 503 >VAL^B 96 50.13 -25.84 79.81 51.67 -27.10 80.67 50.90 -26.47 80.24 3 0 16.38 -999 ? O3 PO4 B 503 >GLY^B 97 51.91 -22.79 78.47 52.33 -23.21 79.11 52.12 -23.00 78.79 1 0 13.20 -999 ? O3 PO4 B 503 >LEU^B 98 56.49 -23.79 77.62 56.48 -25.77 78.45 56.48 -24.78 78.04 3 0 12.85 -999 ? O3 PO4 B 503 >ASN^B 99 55.26 -17.90 78.67 53.25 -18.54 78.94 54.26 -18.22 78.81 2 0 12.85 -999 ? O3 PO4 B 503 >ILE^B 100 59.80 -17.97 74.99 60.60 -17.98 74.72 60.20 -17.98 74.86 3 0 9.51 -999 ? O3 PO4 B 503 >GLU.B 101 60.55 -14.36 79.86 61.50 -13.84 81.69 61.03 -14.10 80.77 2 0 17.03 -999 ? O3 PO4 C 507 >LEU.B 102 60.45 -12.30 72.94 60.42 -14.17 71.87 60.43 -13.23 72.41 3 0 9.62 -999 ? O3 PO4 B 503 >PRO.B 103 64.58 -9.59 72.90 62.52 -9.23 73.64 63.55 -9.41 73.27 3 0 14.18 -999 ? O4 PO4 B 503 >HIS.B 104 60.56 -6.84 69.75 62.02 -5.43 69.25 61.29 -6.14 69.50 3 0 14.06 -999 ? O4 PO4 B 503 >GLU.B 105 58.06 -9.68 76.47 58.18 -11.80 76.56 58.12 -10.74 76.51 2 0 12.81 -999 ? O3 PO4 B 503 >GLN.B 106 51.56 -10.91 72.25 50.89 -8.92 71.87 51.23 -9.92 72.06 2 0 12.36 -999 ? O1 PO4 B 503 >LYS.B 107 51.22 -11.17 76.94 46.93 -7.61 79.10 49.08 -9.39 78.02 2 0 19.51 -999 ? O3 PO4 B 503 >PRO.B 108 52.17 -14.55 79.29 50.77 -14.20 77.59 51.47 -14.37 78.44 3 0 13.77 -999 ? O3 PO4 B 503 >ASN.B 109 46.93 -17.25 75.27 47.56 -19.21 75.85 47.24 -18.23 75.56 2 0 12.67 -999 ? O3 PO4 B 503 >PRO.B 110 43.15 -15.35 77.81 45.04 -16.30 78.55 44.10 -15.83 78.18 3 0 17.10 -999 ? O3 PO4 B 503 >TYR.B 111 42.44 -19.41 76.84 40.67 -17.44 75.91 41.55 -18.42 76.38 3 0 17.58 -999 ? O3 PO4 B 503 >GLN.B 112 48.52 -20.62 79.32 50.45 -19.71 79.33 49.48 -20.16 79.33 2 0 14.07 -999 ? O3 PO4 B 503 >THR.B 113 46.00 -24.21 83.57 44.96 -26.07 83.71 45.48 -25.14 83.64 2 0 21.61 -999 ? O3 PO4 B 503 >HIS^B 114 49.74 -26.36 85.51 48.61 -27.69 86.68 49.17 -27.03 86.09 3 0 22.21 -999 ? O3 PO4 B 503 >ALA^B 115 51.89 -21.28 83.12 51.26 -19.92 83.13 51.57 -20.60 83.12 2 0 17.38 -999 ? O3 PO4 B 503 >LEU^B 116 56.34 -22.76 82.78 55.71 -24.72 83.45 56.02 -23.74 83.11 3 0 17.27 -999 ? O3 PO4 B 503 >SER^B 117 57.76 -18.42 82.17 58.06 -16.00 82.33 57.91 -17.21 82.25 2 0 16.38 -999 ? O3 PO4 B 503 >LEU^B 118 61.31 -20.47 79.72 59.94 -21.92 80.55 60.62 -21.20 80.14 3 0 14.59 -999 ? O3 PO4 B 503 >ARG.B 119 66.24 -14.27 80.13 67.99 -11.88 79.31 67.11 -13.08 79.72 2 0 14.15 -999 ? O3 PO4 C 507 >TYR~B 120 67.75 -19.41 78.78 69.38 -17.66 80.24 68.56 -18.53 79.51 3 0 17.05 -999 ? O3 PO4 C 507 >PHE~B 121 63.89 -19.93 72.20 62.27 -17.93 71.08 63.08 -18.93 71.64 3 0 8.79 -999 ? O3 PO4 B 503 >PHE~B 122 68.71 -24.14 76.21 70.06 -23.48 78.58 69.39 -23.81 77.39 3 0 17.87 -999 ? O3 PO4 B 503 >VAL~B 123 64.98 -25.03 78.32 65.27 -24.21 80.29 65.12 -24.62 79.30 3 0 16.65 -999 ? O3 PO4 B 503 >ARG~B 124 59.19 -22.11 74.95 57.74 -20.34 72.92 58.47 -21.22 73.93 2 0 6.80 -999 ? O3 PO4 B 503 >LYS~B 125 62.59 -27.03 74.04 65.72 -25.08 68.91 64.15 -26.06 71.48 2 0 11.41 -999 ? O4 PO4 B 503 >VAL~B 126 63.65 -29.75 76.50 65.33 -30.25 77.76 64.49 -30.00 77.13 3 0 17.34 -999 ? O3 PO4 B 503 >LEU~B 127 59.97 -28.00 79.21 60.66 -27.52 81.23 60.31 -27.76 80.22 3 0 16.74 -999 ? O3 PO4 B 503 >PHE~B 128 57.73 -27.65 73.77 56.10 -25.36 73.49 56.92 -26.51 73.63 3 0 10.22 -999 ? O3 PO4 B 503 >VAL~B 129 60.00 -33.11 74.71 61.51 -33.52 73.22 60.76 -33.31 73.96 3 0 16.59 -999 ? O3 PO4 B 503 >ARG~B 130 62.79 -33.51 81.31 64.22 -34.78 83.72 63.50 -34.15 82.51 2 0 16.48 -999 ? O1 PO4 E 509 >TYR~B 131 57.49 -34.65 81.28 59.31 -34.25 83.38 58.40 -34.45 82.33 3 0 21.16 -999 ? O4 PO4 E 509 >ALA^B 132 55.49 -35.80 75.50 55.89 -34.92 74.32 55.69 -35.36 74.91 2 0 17.48 -999 ? O3 PO4 B 503 >VAL^B 133 53.54 -38.76 74.20 51.76 -38.96 75.46 52.65 -38.86 74.83 3 0 21.53 -999 ? O2 PO4 B 503 >GLY^B 134 53.39 -37.03 70.83 53.55 -36.44 71.39 53.47 -36.73 71.11 1 0 18.06 -999 ? O2 PO4 B 503 >PHE^B 135 56.30 -34.11 69.45 58.19 -35.29 71.13 57.24 -34.70 70.29 3 0 15.65 -999 ? O2 PO4 B 503 >VAL^B 136 51.45 -31.91 66.59 49.35 -32.50 66.61 50.40 -32.21 66.60 3 0 13.16 -999 ? O2 PO4 B 503 >PHE^B 137 54.92 -29.69 64.30 56.97 -30.58 66.01 55.94 -30.14 65.15 3 0 9.83 -999 ? O2 PO4 B 503 >LEU.B 138 48.86 -26.01 63.67 46.93 -26.67 64.39 47.89 -26.34 64.03 3 0 9.78 -999 ? O2 PO4 B 503 >PRO.B 139 48.88 -24.85 58.94 50.47 -24.67 60.49 49.67 -24.76 59.71 3 0 8.68 -999 ? O2 PO4 B 503 >GLY.B 140 53.50 -21.84 61.43 53.71 -22.00 60.67 53.61 -21.92 61.05 1 0 3.82 -999 ? O2 PO4 B 503 >GLY~B 141 56.74 -19.91 60.83 56.85 -20.49 61.37 56.79 -20.20 61.10 1 0 -3.62 -999 ? O2 PO4 B 503s >PHE~B 142 61.95 -18.14 60.93 63.05 -17.05 58.59 62.50 -17.59 59.76 3 0 -7.07 -999 ? O4 PO4 B 503s >GLY~B 143 59.55 -21.01 65.52 59.32 -21.35 64.82 59.44 -21.18 65.17 1 0 -3.35 -999 ? O4 PO4 B 503s >THR~B 144 57.36 -23.92 64.36 55.25 -24.04 63.89 56.30 -23.98 64.13 2 0 -3.72 -999 ? O2 PO4 B 503s >LEU~B 145 60.48 -24.31 60.71 61.78 -25.31 59.33 61.13 -24.81 60.02 3 0 8.25 -999 ? O2 PO4 B 503 >ASP~B 146 62.64 -23.55 65.56 64.13 -23.79 67.06 63.38 -23.67 66.31 2 0 8.85 -999 ? O4 PO4 B 503 >GLU~B 147 59.28 -26.13 68.84 60.30 -27.28 70.32 59.79 -26.70 69.58 2 0 9.84 -999 ? O3 PO4 B 503 >LEU~B 148 59.16 -29.21 62.75 58.39 -30.78 61.48 58.78 -30.00 62.11 3 0 10.37 -999 ? O2 PO4 B 503 >SER~B 149 63.41 -29.93 62.83 64.47 -27.73 63.12 63.94 -28.83 62.97 2 0 10.78 -999 ? O3 PO4 A 501 >GLU~B 150 64.41 -30.11 68.93 65.54 -28.88 70.21 64.97 -29.50 69.57 2 0 13.67 -999 ? O4 PO4 A 501 >VAL~B 151 62.02 -33.29 67.09 59.96 -33.69 67.75 60.99 -33.49 67.42 3 0 13.46 -999 ? O3 PO4 A 501 >LEU~B 152 62.80 -34.22 62.36 60.94 -34.33 61.25 61.87 -34.27 61.81 3 0 10.17 -999 ? O3 PO4 A 501 >VAL~B 153 66.54 -35.01 64.69 68.23 -33.66 64.68 67.38 -34.34 64.69 3 0 6.84 -999 ? O3 PO4 A 501 >LEU~B 154 65.19 -35.75 69.31 65.91 -34.15 70.59 65.55 -34.95 69.95 3 0 12.20 -999 ? O3 PO4 A 501 >LEU~B 155 62.38 -38.96 66.04 60.73 -38.13 67.16 61.55 -38.55 66.60 3 0 13.02 -999 ? O3 PO4 A 501 >GLN~B 156 67.40 -39.40 61.65 68.37 -37.77 60.68 67.88 -38.59 61.17 2 0 4.69 -999 ? O3 PO4 A 501 >THR~B 157 68.88 -40.24 65.83 70.14 -38.86 66.90 69.51 -39.55 66.36 2 0 8.65 -999 ? O3 PO4 A 501 >GLU.B 158 66.65 -44.20 67.04 66.99 -46.28 66.73 66.82 -45.24 66.88 2 0 14.44 -999 ? O3 PO4 A 501 >LYS.B 159 68.04 -39.77 71.29 72.51 -38.63 73.39 70.28 -39.20 72.34 2 0 13.91 -999 ? O4 PO4 A 501 >VAL.B 160 64.45 -39.82 72.48 63.82 -37.86 71.81 64.13 -38.84 72.14 3 0 15.36 -999 ? O3 PO4 A 501 >HIS.B 161 60.16 -44.29 73.04 58.78 -45.71 72.32 59.47 -45.00 72.68 3 0 20.75 -999 ? O3 PO4 A 501 >ARG.B 162 59.30 -42.69 66.03 58.39 -44.36 63.61 58.84 -43.53 64.82 2 0 16.97 -999 ? O3 PO4 A 501 >PHE.B 163 56.55 -40.29 71.83 56.74 -41.36 74.43 56.65 -40.83 73.13 3 0 21.26 -999 ? O3 PO4 A 501 >PRO.B 164 52.41 -41.15 68.09 54.18 -40.04 67.35 53.30 -40.60 67.72 3 0 20.67 -999 ? O2 PO4 B 503 >VAL^B 165 54.54 -36.56 64.89 56.54 -35.69 64.73 55.54 -36.13 64.81 3 0 15.78 -999 ? O2 PO4 B 503 >PHE^B 166 49.99 -36.51 63.85 49.47 -39.17 64.52 49.73 -37.84 64.18 3 0 18.45 -999 ? O2 PO4 B 503 >LEU^B 167 52.72 -32.02 59.35 54.84 -31.95 59.69 53.78 -31.98 59.52 3 0 12.69 -999 ? O2 PO4 B 503 >LEU^B 168 47.45 -29.96 61.13 45.99 -31.16 62.19 46.72 -30.56 61.66 3 0 13.79 -999 ? O2 PO4 B 503 >ASP~B 169 47.32 -27.44 56.95 46.94 -26.20 55.27 47.13 -26.82 56.11 2 0 13.79 -999 ? O2 PO4 B 503 >ARG~B 170 46.93 -34.01 52.70 47.79 -36.83 53.57 47.36 -35.42 53.13 2 0 21.14 -999 ? O2 PO4 B 503 >GLY~B 171 49.03 -27.83 51.35 49.29 -27.84 52.10 49.16 -27.83 51.72 1 0 16.30 -999 ? O2 PO4 B 503 >TYR~B 172 50.97 -24.02 55.87 52.16 -21.78 57.05 51.57 -22.90 56.46 3 0 9.14 -999 ? O2 PO4 B 503 >TRP~B 173 51.78 -28.68 57.52 54.85 -27.41 59.64 53.31 -28.04 58.58 3 0 9.83 -999 ? O2 PO4 B 503 >GLU~B 174 53.48 -29.68 48.44 52.32 -29.09 46.78 52.90 -29.39 47.61 2 0 19.80 -999 ? O2 PO4 B 503 >GLY~B 175 56.76 -27.17 50.23 56.69 -27.75 50.79 56.72 -27.46 50.51 1 0 15.62 -999 ? O2 PO4 B 503 >LEU~B 176 58.49 -28.26 54.65 59.96 -28.44 56.22 59.22 -28.35 55.44 3 0 12.43 -999 ? O2 PO4 B 503 >VAL~B 177 57.95 -32.13 52.66 56.15 -33.32 53.16 57.05 -32.73 52.91 3 0 16.21 -999 ? O3 PO4 A 501 >ARG~B 178 56.60 -31.37 46.24 54.17 -33.18 46.83 55.38 -32.28 46.53 2 0 21.68 -999 ? O2 PO4 B 503 >TRP~B 179 64.91 -28.42 49.53 66.47 -28.15 53.12 65.69 -28.29 51.33 3 0 10.98 -999 ? O1 PO4 A 501 >LEU~B 180 62.01 -33.41 53.68 62.22 -32.30 55.53 62.12 -32.85 54.61 3 0 10.95 -999 ? O3 PO4 A 501 >ALA~B 181 62.23 -35.66 49.72 60.96 -35.75 48.88 61.59 -35.71 49.30 2 0 15.13 -999 ? O3 PO4 A 501 >PHE~B 182 66.27 -31.88 46.89 68.71 -30.86 45.99 67.49 -31.37 46.44 3 0 13.16 -999 ? O1 PO4 A 501 >LEU~B 183 66.93 -33.90 52.17 67.46 -31.86 52.74 67.19 -32.88 52.45 3 0 8.15 -999 ? O1 PO4 A 501 >ARG~B 184 63.47 -40.78 51.04 60.54 -40.35 50.24 62.01 -40.56 50.64 2 0 15.54 -999 ? O3 PO4 A 501 >ASP~B 185 66.48 -37.25 45.79 64.50 -37.80 45.28 65.49 -37.53 45.54 2 0 16.20 -999 ? O3 PO4 A 501 >GLN~B 186 70.16 -34.10 47.25 71.61 -33.57 45.78 70.88 -33.83 46.51 2 0 12.71 -999 ? O1 PO4 A 501 >LYS.B 187 70.92 -39.33 50.37 72.43 -44.50 49.42 71.67 -41.92 49.90 2 0 13.13 -999 ? O2 PO4 A 501 >ALA.B 188 71.16 -36.61 53.06 70.85 -35.14 52.85 71.01 -35.88 52.95 2 0 6.26 -999 ? O2 PO4 A 501 >VAL.B 189 68.48 -38.38 55.13 66.78 -37.02 54.92 67.63 -37.70 55.02 3 0 6.72 -999 ? O3 PO4 A 501 >GLY.B 190 67.78 -42.11 55.37 67.29 -41.56 55.11 67.53 -41.83 55.24 1 0 9.29 -999 ? O3 PO4 A 501 >PRO.B 191 67.21 -45.44 52.80 65.88 -43.82 53.55 66.54 -44.63 53.18 3 0 12.80 -999 ? O3 PO4 A 501 >GLU~B 192 62.62 -46.94 55.98 60.99 -46.90 54.62 61.80 -46.92 55.30 2 0 16.93 -999 ? O3 PO4 A 501 >ASP~B 193 64.64 -40.17 57.53 66.31 -41.01 58.52 65.48 -40.59 58.03 2 0 8.33 -999 ? O3 PO4 A 501 >LEU~B 194 60.19 -39.03 54.57 61.22 -37.34 53.71 60.70 -38.19 54.14 3 0 12.73 -999 ? O3 PO4 A 501 >GLN~B 195 57.13 -43.65 56.36 57.13 -42.33 54.66 57.13 -42.99 55.51 2 0 17.14 -999 ? O3 PO4 A 501 >LEU~B 196 60.41 -39.45 61.32 62.24 -40.50 61.79 61.33 -39.97 61.56 3 0 11.85 -999 ? O3 PO4 A 501 >PHE~B 197 57.08 -36.05 58.99 58.09 -35.56 56.41 57.58 -35.81 57.70 3 0 14.31 -999 ? O3 PO4 A 501 >ARG^B 198 51.47 -41.34 60.40 50.32 -42.19 63.11 50.90 -41.77 61.76 2 0 22.50 -999 ? O2 PO4 B 503 >LEU^B 199 50.78 -35.06 55.70 52.69 -34.10 55.81 51.74 -34.58 55.75 3 0 17.02 -999 ? O2 PO4 B 503 >THR^B 200 46.74 -34.96 57.65 46.75 -35.84 59.65 46.74 -35.40 58.65 2 0 18.43 -999 ? O2 PO4 B 503 >ASP.B 201 43.33 -32.31 55.77 44.69 -31.86 54.24 44.01 -32.09 55.01 2 0 18.77 -999 ? O2 PO4 B 503 >GLU~B 202 39.44 -34.61 60.18 38.36 -33.05 59.22 38.90 -33.83 59.70 2 0 22.01 -999 ? O2 PO4 B 503 >PRO~B 203 41.65 -30.68 63.27 42.20 -32.82 63.04 41.92 -31.75 63.15 3 0 17.85 -999 ? O2 PO4 B 503 >GLU~B 204 37.69 -34.80 64.28 38.25 -32.90 63.54 37.97 -33.85 63.91 2 0 21.44 -999 ? O2 PO4 B 503 >GLU~B 205 41.48 -38.05 60.42 41.95 -38.13 58.35 41.72 -38.09 59.39 2 0 23.19 -999 ? O2 PO4 B 503 >VAL~B 206 45.36 -36.92 64.88 46.65 -35.15 64.96 46.01 -36.04 64.92 3 0 18.41 -999 ? O2 PO4 B 503 >VAL~B 207 43.52 -37.45 68.15 42.25 -36.05 69.20 42.89 -36.75 68.67 3 0 21.23 -999 ? O2 PO4 B 503 >GLN~B 208 40.31 -40.46 65.58 38.74 -40.66 67.02 39.52 -40.56 66.30 2 0 26.55 -999 ? O2 PO4 B 503 >ALA~B 209 45.91 -41.90 66.28 46.74 -41.21 65.21 46.32 -41.55 65.75 2 0 22.69 -999 ? O2 PO4 B 503 >LEU~B 210 47.13 -39.24 70.16 48.63 -37.74 69.83 47.88 -38.49 69.99 3 0 20.54 -999 ? O2 PO4 B 503 >LYS~B 211 44.24 -42.40 71.42 39.67 -43.94 68.83 41.96 -43.17 70.12 2 0 28.84 -999 ? O2 PO4 B 503 >ALA.B 212 46.17 -45.65 70.84 45.76 -46.10 69.44 45.97 -45.87 70.14 2 0 28.06 -999 ? O2 PO4 B 503 >PRO.C 2 45.19 -32.42 103.05 46.62 -31.61 101.54 45.91 -32.02 102.30 3 0 16.04 -999 ? O1 PO4 C 511 >LYS.C 3 49.62 -28.59 101.48 47.43 -27.02 96.69 48.52 -27.80 99.08 2 0 17.48 -999 ? O1 PO4 C 511 >LYS.C 4 51.65 -27.06 104.33 54.06 -31.92 106.91 52.85 -29.49 105.62 2 0 7.82 -999 ? O1 PO4 C 511 >PRO~C 5 52.24 -24.06 107.43 52.79 -24.29 105.28 52.52 -24.18 106.35 3 0 12.42 -999 ? O1 PO4 C 511 >LEU~C 6 56.28 -21.04 102.66 58.04 -21.22 101.39 57.16 -21.13 102.02 3 0 12.64 -999 ? O1 PO4 C 511 >ILE~C 7 59.20 -22.67 106.68 60.06 -21.93 107.57 59.63 -22.30 107.12 3 0 10.57 -999 ? O1 PO4 C 511 >ASP~C 8 56.28 -27.20 106.74 56.22 -26.40 108.70 56.25 -26.80 107.72 2 0 8.89 -999 ? O1 PO4 C 511 >GLN~C 9 55.63 -26.53 101.38 54.87 -25.24 99.87 55.25 -25.89 100.62 2 0 11.29 -999 ? O1 PO4 C 511 >LEU~C 10 62.31 -26.28 103.24 62.08 -24.31 102.34 62.20 -25.30 102.79 3 0 -7.61 -999 ? O1 PO4 C 511s >HIS.C 11 60.52 -31.91 101.97 58.49 -31.67 102.41 59.50 -31.79 102.19 3 0 -3.78 -999 ? O1 PO4 C 511s >HIS.C 12 67.11 -34.09 104.27 66.89 -36.17 104.47 67.00 -35.13 104.37 3 0 3.71 -999 ? O2 PO4 C 511s >GLU.C 13 65.32 -36.53 101.21 63.86 -36.00 102.66 64.59 -36.27 101.94 2 0 -3.01 -999 ? O3 PO4 C 511s >ASP~C 14 63.56 -31.20 97.63 62.82 -30.73 95.73 63.19 -30.97 96.68 2 0 9.71 -999 ? O1 PO4 C 511 >SER~C 15 68.31 -29.96 96.93 69.94 -31.45 97.98 69.13 -30.71 97.46 2 0 8.02 -999 ? O1 PO4 D 508 >TRP~C 16 68.28 -32.11 92.05 71.41 -30.67 90.14 69.85 -31.39 91.10 3 0 14.03 -999 ? O1 PO4 D 508 >ARG~C 17 61.23 -26.86 96.37 58.82 -27.36 94.52 60.02 -27.11 95.45 2 0 12.19 -999 ? O1 PO4 C 511 >LEU~C 18 68.38 -25.10 97.00 68.06 -26.10 98.90 68.22 -25.60 97.95 3 0 11.87 -999 ? O2 PO4 C 511 >PHE~C 19 70.10 -24.43 91.84 72.66 -25.42 92.25 71.38 -24.92 92.04 3 0 16.73 -999 ? O1 PO4 D 508 >ARG~C 20 62.10 -23.05 91.16 59.09 -22.98 91.60 60.60 -23.01 91.38 2 0 16.81 -999 ? O1 PO4 C 511 >ILE~C 21 66.18 -20.01 97.13 65.98 -20.16 98.54 66.08 -20.08 97.83 3 0 15.09 -999 ? O1 PO4 C 511 >LEU~C 22 70.42 -19.69 94.01 71.74 -20.42 95.57 71.08 -20.05 94.79 3 0 13.29 -999 ? O3 PO4 C 507 >ALA~C 23 67.78 -17.61 91.02 66.94 -18.47 90.08 67.36 -18.04 90.55 2 0 13.08 -999 ? O3 PO4 C 507 >GLU~C 24 63.46 -14.85 94.48 61.59 -15.85 94.53 62.52 -15.35 94.50 2 0 15.29 -999 ? O3 PO4 C 507 >PHE~C 25 69.10 -14.37 96.74 68.48 -14.88 99.42 68.79 -14.63 98.08 3 0 11.08 -999 ? O3 PO4 C 507 >VAL~C 26 70.12 -13.21 91.09 71.13 -14.52 89.72 70.62 -13.86 90.40 3 0 7.24 -999 ? O3 PO4 C 507 >GLU~C 27 65.92 -13.43 88.04 64.48 -15.00 88.11 65.20 -14.21 88.08 2 0 12.53 -999 ? O3 PO4 C 507 >GLY~C 28 66.47 -9.53 92.52 67.15 -9.59 92.05 66.81 -9.56 92.29 1 0 7.91 -999 ? O3 PO4 C 507 >PHE~C 29 71.39 -9.63 94.18 71.63 -10.78 96.73 71.51 -10.20 95.46 3 0 -5.50 -999 ? O3 PO4 C 507s >GLU~C 30 70.43 -9.65 87.67 70.06 -10.83 85.96 70.24 -10.24 86.82 2 0 7.46 -999 ? O3 PO4 C 507 >THR~C 31 66.48 -5.66 88.93 64.40 -6.23 88.97 65.44 -5.94 88.95 2 0 10.01 -999 ? O3 PO4 C 507 >LEU~C 32 67.34 -3.88 93.33 65.44 -4.24 94.30 66.39 -4.06 93.82 3 0 8.35 -999 ? O4 PO4 C 507 >SER~C 33 71.06 -2.72 91.15 71.97 -4.67 90.01 71.51 -3.69 90.58 2 0 -2.88 -999 ? O1 PO4 C 507s >GLU~C 34 68.44 -2.28 86.27 67.99 -3.25 84.44 68.21 -2.76 85.36 2 0 9.18 -999 ? O1 PO4 C 507 >LEU.C 35 67.09 1.22 90.22 65.05 0.58 89.96 66.07 0.90 90.09 3 0 10.75 -999 ? O1 PO4 C 507 >GLN.C 36 70.85 6.86 88.39 71.29 7.83 86.55 71.07 7.35 87.47 2 0 14.25 -999 ? O1 PO4 C 507 >VAL.C 37 67.65 6.46 91.90 65.60 6.34 91.14 66.62 6.40 91.52 3 0 14.40 -999 ? O4 PO4 C 507 >PRO.C 38 69.25 8.52 95.33 68.39 6.52 94.97 68.82 7.52 95.15 3 0 14.51 -999 ? O4 PO4 C 507 >LEU^C 39 66.26 2.23 96.63 65.88 1.48 94.63 66.07 1.86 95.63 3 0 11.64 -999 ? O4 PO4 C 507 >VAL^C 40 64.49 4.21 100.47 64.15 6.14 101.40 64.32 5.18 100.93 3 0 16.97 -999 ? O4 PO4 C 507 >SER^C 41 62.80 1.11 101.91 64.40 -0.67 101.59 63.60 0.22 101.75 2 0 14.29 -999 ? O1 PO4 C 505 >VAL^C 42 59.56 1.83 103.73 58.68 3.78 103.24 59.12 2.81 103.48 3 0 11.69 -999 ? O1 PO4 C 505 >PHE^C 43 57.76 -2.78 106.55 56.85 -5.42 106.28 57.30 -4.10 106.41 3 0 5.13 -999 ? O1 PO4 C 505 >GLY.C 44 54.12 0.11 107.74 54.12 -0.65 107.32 54.12 -0.27 107.53 1 0 5.61 -999 ? O2 PO4 C 505 >SER.C 45 50.83 -1.64 108.55 48.59 -1.91 109.42 49.71 -1.77 108.99 2 0 -3.83 -999 ? O4 PO4 C 505s >ALA.C 46 49.16 -3.74 105.86 49.57 -5.16 105.58 49.36 -4.45 105.72 2 0 -3.72 -999 ? O4 PO4 C 505s >ARG.C 47 45.41 -5.64 110.50 46.94 -8.26 111.04 46.17 -6.95 110.77 2 0 5.22 -999 ? O3 PO4 C 505 >PHE.C 48 46.58 1.09 109.99 47.07 0.19 112.60 46.82 0.64 111.29 3 0 7.26 -999 ? O4 PO4 C 505 >GLY.C 49 43.71 1.78 104.56 43.69 2.27 105.21 43.70 2.03 104.88 1 0 10.82 -999 ? O4 PO4 C 505 >GLU.C 50 42.38 4.75 100.62 41.22 5.04 98.87 41.80 4.89 99.75 2 0 17.26 -999 ? O4 PO4 C 505 >GLY.C 51 41.28 7.48 105.89 42.00 7.07 106.03 41.64 7.27 105.96 1 0 16.04 -999 ? O4 PO4 C 505 >HIS~C 52 44.34 4.00 109.96 45.16 3.51 111.83 44.75 3.75 110.90 3 0 10.81 -999 ? O4 PO4 C 505 >PRO~C 53 44.72 8.62 111.75 45.46 7.98 109.75 45.09 8.30 110.75 3 0 14.60 -999 ? O4 PO4 C 505 >ALA~C 54 48.71 5.85 109.03 48.67 4.40 109.52 48.69 5.12 109.27 2 0 9.70 -999 ? O4 PO4 C 505 >TYR~C 55 46.12 4.82 103.45 45.89 4.31 100.71 46.01 4.57 102.08 3 0 12.84 -999 ? O4 PO4 C 505 >GLU~C 56 45.28 10.71 104.79 45.91 11.57 102.96 45.59 11.14 103.88 2 0 18.38 -999 ? O4 PO4 C 505 >ALA~C 57 50.84 9.70 106.49 51.22 9.32 107.93 51.03 9.51 107.21 2 0 14.37 -999 ? O2 PO4 C 505 >GLY~C 58 52.10 6.99 104.18 51.73 7.72 103.98 51.92 7.36 104.08 1 0 13.10 -999 ? O4 PO4 C 505 >TYR~C 59 49.14 9.77 99.45 48.86 10.86 96.90 49.00 10.32 98.18 3 0 18.96 -999 ? O4 PO4 C 505 >ARG~C 60 50.47 14.66 104.19 48.75 13.16 106.25 49.61 13.91 105.22 2 0 18.56 -999 ? O4 PO4 C 505 >LEU~C 61 55.98 9.04 103.83 57.89 8.42 104.66 56.93 8.73 104.25 3 0 15.31 -999 ? O2 PO4 C 505 >GLY~C 62 55.83 8.67 99.46 55.72 9.47 99.68 55.78 9.07 99.57 1 0 17.19 -999 ? O1 PO4 C 505 >ARG~C 63 52.88 15.23 97.86 50.58 15.24 99.92 51.73 15.23 98.89 2 0 22.29 -999 ? O4 PO4 C 505 >ALA~C 64 57.70 13.69 99.81 57.72 13.79 101.35 57.71 13.74 100.58 2 0 21.14 -999 ? O2 PO4 C 505 >LEU~C 65 60.44 9.63 99.37 61.16 8.83 101.26 60.80 9.23 100.32 3 0 18.79 -999 ? O1 PO4 C 505 >ALA~C 66 59.60 11.00 95.17 58.26 10.59 94.55 58.93 10.79 94.86 2 0 22.02 -999 ? O1 PO4 C 505 >GLU~C 67 57.24 15.46 95.28 55.84 16.75 96.20 56.54 16.10 95.74 2 0 25.74 -999 ? O1 PO4 C 505 >ALA~C 68 63.05 14.76 96.70 63.25 14.47 98.17 63.15 14.62 97.43 2 0 23.65 -999 ? O4 PO4 C 507 >GLY.C 69 64.41 12.41 94.04 64.09 12.07 94.65 64.25 12.24 94.35 1 0 20.69 -999 ? O4 PO4 C 507 >PHE.C 70 65.27 9.87 98.26 67.14 11.47 99.60 66.21 10.67 98.93 3 0 19.30 -999 ? O4 PO4 C 507 >GLY^C 71 62.83 5.88 94.82 63.08 6.04 95.70 62.95 5.96 95.26 1 0 16.51 -999 ? O4 PO4 C 507 >VAL^C 72 60.74 4.01 97.39 58.86 5.13 97.49 59.80 4.57 97.44 3 0 16.49 -999 ? O1 PO4 C 505 >VAL^C 73 60.70 0.29 98.02 62.54 -0.81 97.53 61.62 -0.26 97.77 3 0 14.70 -999 ? O1 PO4 C 505 >THR^C 74 57.88 -1.41 99.91 56.22 -0.21 99.23 57.05 -0.81 99.57 2 0 11.07 -999 ? O1 PO4 C 505 >GLY.C 75 56.55 -4.93 100.35 56.21 -4.32 99.88 56.38 -4.62 100.11 1 0 8.67 -999 ? O1 PO4 C 505 >GLY.C 76 54.03 -4.04 97.65 53.79 -4.22 98.35 53.91 -4.13 98.00 1 0 10.68 -999 ? O1 PO4 C 505 >GLY.C 77 50.93 -5.02 99.58 51.11 -4.24 99.50 51.02 -4.63 99.54 1 0 8.76 -999 ? O1 PO4 C 505 >PRO.C 78 47.21 -5.05 101.90 48.40 -3.56 100.73 47.81 -4.31 101.31 3 0 8.37 -999 ? O4 PO4 C 505 >GLY~C 79 47.49 -0.62 103.74 47.88 -0.48 103.06 47.69 -0.55 103.40 1 0 7.70 -999 ? O4 PO4 C 505 >VAL~C 80 50.30 1.81 104.49 51.08 2.69 106.33 50.69 2.25 105.41 3 0 8.21 -999 ? O4 PO4 C 505 >MET?C 81 52.42 0.00 101.91 53.84 -3.73 103.00 53.13 -1.86 102.46 2 0 5.63 -999 ? O1 PO4 C 505 >GLU~C 82 47.86 0.74 97.77 45.81 0.35 98.00 46.83 0.54 97.89 2 0 13.31 -999 ? O4 PO4 C 505 >ALA~C 83 49.73 4.29 100.53 49.42 4.63 101.98 49.57 4.46 101.26 2 0 12.11 -999 ? O4 PO4 C 505 >VAL~C 84 53.49 4.81 100.26 55.14 4.43 101.64 54.31 4.62 100.95 3 0 12.79 -999 ? O1 PO4 C 505 >ASN~C 85 53.39 2.01 96.24 54.90 0.61 96.69 54.15 1.31 96.47 2 0 13.29 -999 ? O1 PO4 C 505 >ARG~C 86 47.00 6.06 96.30 43.96 6.16 95.98 45.48 6.11 96.14 2 0 18.56 -999 ? O4 PO4 C 505 >GLY~C 87 52.19 8.70 96.96 52.55 8.16 96.46 52.37 8.43 96.71 1 0 18.36 -999 ? O1 PO4 C 505 >ALA~C 88 55.49 8.23 95.12 56.59 7.25 95.51 56.04 7.74 95.31 2 0 18.58 -999 ? O1 PO4 C 505 >TYR~C 89 52.49 5.13 90.61 51.64 4.24 88.09 52.06 4.68 89.35 3 0 21.53 -999 ? O1 PO4 C 505 >GLU~C 90 49.09 8.51 92.37 47.29 8.79 93.47 48.19 8.65 92.92 2 0 21.18 -999 ? O4 PO4 C 505 >ALA.C 91 54.09 12.15 92.24 54.77 12.35 93.57 54.43 12.25 92.91 2 0 23.39 -999 ? O1 PO4 C 505 >GLY.C 92 55.93 10.72 89.25 56.13 10.55 90.03 56.03 10.63 89.64 1 0 24.83 -999 ? O1 PO4 C 507 >GLY.C 93 58.54 8.91 91.32 57.95 8.46 90.91 58.25 8.68 91.11 1 0 21.62 -999 ? O4 PO4 C 507 >VAL.C 94 59.97 5.43 90.83 61.76 4.68 89.85 60.87 5.06 90.34 3 0 17.41 -999 ? O1 PO4 C 507 >SER^C 95 57.81 3.11 92.92 55.70 2.46 93.91 56.76 2.78 93.42 2 0 16.71 -999 ? O1 PO4 C 505 >VAL^C 96 59.09 -0.37 93.79 61.16 -0.86 93.43 60.12 -0.61 93.61 3 0 15.26 -999 ? O4 PO4 C 507 >GLY^C 97 57.36 -3.29 95.41 58.00 -3.53 94.90 57.68 -3.41 95.15 1 0 13.74 -999 ? O1 PO4 C 505 >LEU^C 98 60.16 -6.51 97.57 62.11 -5.59 97.26 61.14 -6.05 97.42 3 0 13.56 -999 ? O1 PO4 C 505 >ASN^C 99 54.82 -8.42 95.09 54.37 -6.39 94.64 54.59 -7.41 94.86 2 0 13.56 -999 ? O1 PO4 C 505 >ILE^C 100 55.37 -12.34 99.20 56.17 -12.44 99.40 55.77 -12.39 99.30 3 0 11.35 -999 ? O1 PO4 C 505 >GLU.C 101 53.22 -11.66 93.67 53.61 -10.78 91.80 53.42 -11.22 92.73 2 0 17.04 -999 ? O1 PO4 C 505 >LEU.C 102 52.24 -17.84 96.98 54.05 -17.52 98.14 53.15 -17.68 97.56 3 0 15.82 -999 ? O1 PO4 C 505 >PRO.C 108 50.79 -8.35 93.38 49.58 -6.97 94.66 50.18 -7.66 94.02 3 0 14.43 -999 ? O1 PO4 C 505 >ASN.C 109 49.28 -1.73 95.82 51.32 -1.11 95.83 50.30 -1.42 95.82 2 0 13.25 -999 ? O1 PO4 C 505 >PRO.C 110 46.20 -1.06 92.16 48.44 -1.18 92.07 47.32 -1.12 92.12 3 0 17.55 -999 ? O1 PO4 C 505 >TYR.C 111 49.19 3.05 93.38 46.45 3.42 93.74 47.82 3.24 93.56 3 0 17.86 -999 ? O1 PO4 C 505 >GLN.C 112 53.76 -1.53 93.05 54.06 -3.56 93.66 53.91 -2.55 93.36 2 0 14.68 -999 ? O1 PO4 C 505 >THR.C 113 56.77 1.31 88.60 57.97 3.07 88.41 57.37 2.19 88.50 2 0 18.90 -999 ? O1 PO4 C 507 >HIS^C 114 60.87 -0.97 88.39 61.87 0.01 86.84 61.37 -0.48 87.61 3 0 14.50 -999 ? O1 PO4 C 507 >ALA^C 115 56.83 -4.89 90.59 55.36 -5.08 90.20 56.10 -4.98 90.40 2 0 18.10 -999 ? O1 PO4 C 505 >LEU^C 116 60.37 -7.73 92.33 61.93 -6.34 91.75 61.15 -7.04 92.04 3 0 12.91 -999 ? O3 PO4 C 507 >SER^C 117 57.46 -11.23 91.91 56.11 -11.06 89.89 56.78 -11.14 90.90 2 0 18.32 -999 ? O3 PO4 C 507 >LEU^C 118 59.69 -12.27 95.94 61.31 -10.82 95.85 60.50 -11.55 95.90 3 0 14.82 -999 ? O3 PO4 C 507 >ARG.C 119 56.94 -17.00 93.30 55.23 -16.03 90.95 56.08 -16.51 92.13 2 0 20.07 -999 ? O1 PO4 C 505 >TYR~C 120 61.85 -18.50 98.00 61.56 -20.73 96.36 61.71 -19.61 97.18 3 0 15.18 -999 ? O1 PO4 C 511 >PHE~C 121 59.48 -15.12 103.96 60.18 -17.01 105.90 59.83 -16.07 104.93 3 0 12.78 -999 ? O1 PO4 C 505 >PHE~C 122 64.24 -16.92 102.89 63.99 -19.37 101.57 64.11 -18.14 102.23 3 0 14.86 -999 ? O1 PO4 C 511 >VAL~C 123 65.05 -13.31 99.65 65.24 -14.09 97.61 65.15 -13.70 98.63 3 0 13.03 -999 ? O3 PO4 C 507 >ARG~C 124 59.61 -9.17 101.39 56.68 -8.48 101.85 58.14 -8.82 101.62 2 0 7.81 -999 ? O1 PO4 C 505 >LYS~C 125 64.51 -9.39 103.37 63.86 -13.75 107.43 64.18 -11.57 105.40 2 0 13.60 -999 ? O1 PO4 C 505 >VAL~C 126 67.91 -9.20 101.72 69.47 -10.65 101.29 68.69 -9.92 101.51 3 0 11.43 -999 ? O4 PO4 C 507 >LEU~C 127 65.40 -7.55 97.91 65.88 -8.62 96.10 65.64 -8.08 97.01 3 0 10.13 -999 ? O3 PO4 C 507 >PHE~C 128 62.67 -4.84 102.41 59.87 -4.70 102.00 61.27 -4.77 102.20 3 0 10.38 -999 ? O1 PO4 C 505 >VAL~C 129 68.54 -3.62 102.70 68.65 -4.89 104.46 68.59 -4.25 103.58 3 0 12.48 -999 ? O4 PO4 C 507 >ARG~C 130 73.28 -6.15 98.62 75.18 -4.73 96.68 74.23 -5.44 97.65 2 0 -4.13 -999 ? O4 PO4 C 507s >TYR.C 131 70.50 -2.44 96.03 71.41 -4.76 94.75 70.95 -3.60 95.39 3 0 -4.90 -999 ? O4 PO4 C 507s >ALA^C 132 68.93 0.86 100.97 68.36 0.29 102.28 68.65 0.58 101.63 2 0 12.82 -999 ? O4 PO4 C 507 >VAL^C 133 69.99 4.47 101.31 70.04 6.19 99.98 70.01 5.33 100.64 3 0 14.24 -999 ? O4 PO4 C 507 >GLY^C 134 67.58 4.69 104.26 67.30 4.10 103.74 67.44 4.39 104.00 1 0 16.96 -999 ? O4 PO4 C 507 >PHE^C 135 64.23 0.44 106.24 62.72 -1.81 105.47 63.48 -0.68 105.86 3 0 12.09 -999 ? O1 PO4 C 505 >VAL^C 136 61.31 4.38 107.24 60.66 6.34 106.51 60.98 5.36 106.88 3 0 13.40 -999 ? O2 PO4 C 505 >PHE^C 137 60.53 0.69 110.07 62.55 -0.99 109.12 61.54 -0.15 109.60 3 0 9.84 -999 ? O2 PO4 C 505 >LEU.C 138 54.44 3.98 108.67 54.67 5.75 107.46 54.55 4.87 108.07 3 0 10.02 -999 ? O2 PO4 C 505 >PRO.C 139 51.97 4.70 112.66 53.03 2.86 111.98 52.50 3.78 112.32 3 0 8.80 -999 ? O2 PO4 C 505 >GLY.C 140 52.13 -1.28 111.90 52.30 -1.15 112.72 52.22 -1.21 112.31 1 0 3.93 -999 ? O2 PO4 C 505 >GLY~C 141 51.98 -4.65 113.59 52.60 -4.58 113.10 52.29 -4.62 113.34 1 0 -3.47 -999 ? O2 PO4 C 505s >PHE~C 142 52.69 -9.64 115.02 51.60 -10.36 117.51 52.15 -10.00 116.26 3 0 -6.90 -999 ? O3 PO4 C 505s >GLY~C 143 55.35 -7.47 110.11 55.39 -6.95 110.72 55.37 -7.21 110.41 1 0 -3.48 -999 ? O3 PO4 C 505s >THR~C 144 56.66 -3.94 110.70 55.69 -2.00 110.45 56.18 -2.97 110.57 2 0 -3.95 -999 ? O2 PO4 C 505s >LEU~C 145 57.59 -5.26 115.30 58.46 -5.27 117.28 58.02 -5.27 116.29 3 0 7.96 -999 ? O2 PO4 C 505 >ASP~C 146 59.00 -8.91 111.73 60.15 -10.15 110.45 59.57 -9.53 111.09 2 0 8.82 -999 ? O1 PO4 C 505 >GLU~C 147 60.89 -5.36 107.19 62.96 -5.52 106.73 61.92 -5.44 106.96 2 0 10.26 -999 ? O1 PO4 C 505 >LEU~C 148 61.64 -2.32 113.22 62.49 -0.57 114.18 62.06 -1.44 113.70 3 0 10.36 -999 ? O2 PO4 C 505 >SER~C 149 64.15 -5.69 114.44 62.33 -6.50 115.81 63.24 -6.10 115.13 2 0 10.56 -999 ? O4 PO4 D 506 >GLU~C 150 66.33 -8.71 109.49 65.37 -10.00 108.16 65.85 -9.36 108.82 2 0 13.24 -999 ? O1 PO4 C 505 >VAL~C 151 67.22 -4.03 110.39 66.39 -2.43 109.18 66.81 -3.23 109.79 3 0 13.43 -999 ? O1 PO4 D 506 >LEU~C 152 67.54 -2.79 115.11 66.75 -0.85 115.69 67.15 -1.82 115.40 3 0 10.08 -999 ? O1 PO4 D 506 >VAL~C 153 70.23 -6.31 114.28 69.82 -8.34 114.99 70.02 -7.32 114.63 3 0 6.73 -999 ? O1 PO4 D 506 >LEU~C 154 71.15 -6.22 109.49 70.46 -7.98 108.46 70.81 -7.10 108.97 3 0 12.20 -999 ? O1 PO4 D 506 >LEU~C 155 72.02 -1.41 111.73 71.42 -0.49 109.86 71.72 -0.95 110.80 3 0 13.08 -999 ? O1 PO4 D 506 >GLN~C 156 73.83 -4.04 117.54 72.61 -5.08 118.93 73.22 -4.56 118.24 2 0 4.74 -999 ? O1 PO4 D 506 >THR~C 157 76.28 -6.21 113.98 75.03 -7.93 114.26 75.66 -7.07 114.12 2 0 7.81 -999 ? O1 PO4 D 506 >GLU.C 158 78.72 -2.90 112.21 80.66 -2.42 112.88 79.69 -2.66 112.55 2 0 14.12 -999 ? O1 PO4 D 506 >LYS.C 159 76.08 -7.09 108.39 77.04 -10.97 111.45 76.56 -9.03 109.92 2 0 11.06 -999 ? O3 PO4 D 506 >VAL.C 160 75.05 -4.33 105.96 73.00 -3.60 105.68 74.03 -3.97 105.82 3 0 13.24 -999 ? O4 PO4 C 507 >HIS.C 161 74.93 -0.09 103.00 73.08 -0.10 102.01 74.01 -0.09 102.51 3 0 11.26 -999 ? O4 PO4 C 507 >ARG.C 162 78.05 1.83 109.17 77.61 -1.19 109.56 77.83 0.32 109.36 2 0 15.30 -999 ? O1 PO4 D 506 >PHE.C 163 70.47 1.79 105.86 69.27 -0.64 106.54 69.87 0.57 106.20 3 0 15.56 -999 ? O4 PO4 C 507 >PRO.C 164 70.31 7.76 107.02 69.89 5.78 107.97 70.10 6.77 107.50 3 0 19.78 -999 ? O4 PO4 C 507 >VAL^C 165 66.43 4.39 110.15 66.28 2.37 111.01 66.36 3.38 110.58 3 0 15.76 -999 ? O2 PO4 C 505 >PHE^C 166 64.24 8.35 109.31 66.47 9.61 108.17 65.36 8.98 108.74 3 0 18.63 -999 ? O2 PO4 C 505 >LEU^C 167 60.40 5.16 114.31 61.47 3.37 114.87 60.93 4.26 114.59 3 0 12.86 -999 ? O2 PO4 C 505 >LEU^C 168 56.88 8.33 110.67 57.73 9.64 109.17 57.31 8.99 109.92 3 0 14.45 -999 ? O2 PO4 C 505 >ASP~C 169 53.52 8.02 114.15 51.72 8.31 115.22 52.62 8.17 114.68 2 0 14.04 -999 ? O2 PO4 C 505 >ARG~C 170 57.90 12.90 118.27 60.93 13.26 118.14 59.41 13.08 118.20 2 0 21.26 -999 ? O2 PO4 C 505 >GLY~C 171 52.93 8.70 119.75 53.37 8.22 119.28 53.15 8.46 119.52 1 0 16.49 -999 ? O2 PO4 C 505 >TYR~C 172 51.71 3.61 116.44 50.72 1.08 115.78 51.21 2.34 116.11 3 0 9.36 -999 ? O2 PO4 C 505 >TRP~C 173 56.60 4.82 115.41 57.45 1.09 114.50 57.02 2.95 114.95 3 0 9.95 -999 ? O2 PO4 C 505 >GLU~C 174 55.38 6.54 124.42 53.88 7.87 125.13 54.63 7.21 124.77 2 0 19.55 -999 ? O2 PO4 C 505 >GLY~C 175 55.96 2.12 124.16 56.46 2.30 123.57 56.21 2.21 123.86 1 0 15.83 -999 ? O2 PO4 C 505 >LEU~C 176 58.36 0.05 120.48 60.06 -1.18 119.88 59.21 -0.56 120.18 3 0 12.51 -999 ? O2 PO4 C 505 >VAL~C 177 61.13 3.00 122.24 61.62 4.80 121.08 61.37 3.90 121.66 3 0 16.37 -999 ? O1 PO4 D 506 >ARG~C 178 58.18 3.73 129.01 56.19 5.45 127.41 57.18 4.59 128.21 2 0 20.25 -999 ? O2 PO4 C 505 >TRP~C 179 60.25 -3.45 127.54 61.81 -5.95 124.93 61.03 -4.70 126.24 3 0 11.11 -999 ? O4 PO4 D 506 >LEU~C 180 64.21 0.15 122.74 63.62 -0.96 120.96 63.91 -0.41 121.85 3 0 11.44 -999 ? O1 PO4 D 506 >ALA~C 181 65.59 2.25 126.51 64.92 3.58 126.89 65.26 2.91 126.70 2 0 15.37 -999 ? O1 PO4 D 506 >PHE~C 182 63.63 -2.14 130.40 63.86 -4.43 132.02 63.75 -3.28 131.21 3 0 12.89 -999 ? O4 PO4 D 506 >LEU~C 183 66.81 -3.25 125.93 65.61 -4.92 125.29 66.21 -4.09 125.61 3 0 7.97 -999 ? O4 PO4 D 506 >ARG~C 184 69.77 3.53 126.82 68.41 6.22 126.27 69.09 4.88 126.55 2 0 16.48 -999 ? O1 PO4 D 506 >ASP~C 185 68.14 0.59 132.05 67.47 2.54 131.58 67.81 1.56 131.81 2 0 16.12 -999 ? O4 PO4 D 506 >GLN~C 186 67.08 -4.31 131.64 67.03 -4.40 133.76 67.06 -4.36 132.70 2 0 13.24 -999 ? O4 PO4 D 506 >LYS.C 187 72.72 -3.52 129.47 74.99 0.57 132.18 73.86 -1.48 130.83 2 0 14.60 -999 ? O2 PO4 D 506 >ALA.C 188 71.25 -5.96 126.92 69.80 -6.44 126.91 70.52 -6.20 126.91 2 0 6.00 -999 ? O2 PO4 D 506 >VAL.C 189 72.04 -3.36 124.27 70.64 -2.26 122.97 71.34 -2.81 123.62 3 0 6.84 -999 ? O1 PO4 D 506 >GLY.C 190 75.07 -1.13 123.74 74.31 -0.86 123.74 74.69 -0.99 123.74 1 0 9.28 -999 ? O1 PO4 D 506 >PRO.C 191 77.33 1.92 125.74 75.45 1.89 124.56 76.39 1.91 125.15 3 0 12.86 -999 ? O1 PO4 D 506 >GLU~C 192 77.71 4.49 121.09 78.01 6.55 121.49 77.86 5.52 121.29 2 0 17.08 -999 ? O1 PO4 D 506 >ASP~C 193 72.65 -0.14 120.52 74.22 -1.53 120.13 73.44 -0.84 120.32 2 0 8.20 -999 ? O1 PO4 D 506 >LEU~C 194 69.13 3.76 121.62 67.86 2.51 122.85 68.49 3.13 122.23 3 0 12.63 -999 ? O1 PO4 D 506 >GLN~C 195 72.82 7.13 119.47 74.66 8.19 119.42 73.74 7.66 119.44 2 0 17.72 -999 ? O1 PO4 D 506 >LEU.C 196 70.67 2.05 115.16 72.46 0.85 114.98 71.56 1.45 115.07 3 0 12.13 -999 ? O1 PO4 D 506 >PHE^C 197 65.75 3.81 116.46 65.21 3.32 119.18 65.48 3.56 117.82 3 0 14.30 -999 ? O1 PO4 D 506 >ARG^C 198 67.76 10.91 113.46 69.19 11.61 110.84 68.48 11.26 112.15 2 0 23.13 -999 ? O2 PO4 C 505 >LEU^C 199 61.00 9.31 117.27 60.89 7.24 117.83 60.95 8.28 117.55 3 0 16.99 -999 ? O2 PO4 C 505 >THR^C 200 59.63 11.88 113.83 60.79 12.82 112.25 60.21 12.35 113.04 2 0 19.39 -999 ? O2 PO4 C 505 >ASP.C 201 55.43 14.07 114.21 54.57 13.01 115.81 55.00 13.54 115.01 2 0 18.70 -999 ? O2 PO4 C 505 >GLU~C 202 57.78 16.41 110.64 57.37 18.41 111.12 57.57 17.41 110.88 2 0 23.62 -999 ? O2 PO4 C 505 >PRO~C 203 55.77 12.65 105.85 57.64 13.32 106.84 56.70 12.98 106.34 3 0 18.57 -999 ? O2 PO4 C 505 >GLU~C 204 59.76 18.61 104.79 59.20 17.72 102.94 59.48 18.17 103.87 2 0 24.47 -999 ? O2 PO4 C 505 >GLU~C 205 61.09 16.18 110.69 61.27 16.29 112.80 61.18 16.24 111.74 2 0 22.81 -999 ? O2 PO4 C 505 >VAL~C 206 63.09 12.28 106.96 61.95 10.42 106.86 62.52 11.35 106.91 3 0 19.07 -999 ? O2 PO4 C 505 >VAL~C 207 63.72 13.97 103.61 62.43 14.51 101.94 63.07 14.24 102.77 3 0 22.82 -999 ? O2 PO4 C 505 >GLN~C 208 64.29 18.51 105.77 63.91 19.09 103.73 64.10 18.80 104.75 2 0 27.07 -999 ? O2 PO4 C 505 >ALA~C 209 67.86 13.93 106.78 67.25 12.98 107.79 67.56 13.46 107.29 2 0 22.97 -999 ? O2 PO4 C 505 >LEU~C 210 67.15 11.05 102.91 66.10 9.24 103.42 66.63 10.14 103.17 3 0 20.48 -999 ? O4 PO4 C 507 >LYS~C 211 69.36 14.77 101.82 66.01 17.88 99.09 67.68 16.33 100.45 2 0 25.77 -999 ? O4 PO4 C 507 >ALA~C 212 72.25 15.32 104.23 72.14 15.76 105.68 72.19 15.54 104.95 2 0 25.10 -999 ? O4 PO4 C 507 >LYS.D 3 85.89 -3.52 105.23 89.70 -1.10 108.15 87.79 -2.31 106.69 2 0 16.19 -999 ? O1 PO4 D 512 >LYS.D 4 82.81 -4.98 103.49 81.25 -2.88 98.51 82.03 -3.93 101.00 2 0 9.30 -999 ? O4 PO4 C 507 >PRO~D 5 79.29 -3.71 105.67 80.08 -5.64 104.90 79.69 -4.68 105.29 3 0 10.98 -999 ? O1 PO4 D 512 >LEU~D 6 77.67 -10.42 105.54 77.18 -12.48 105.01 77.42 -11.45 105.27 3 0 7.93 -999 ? O1 PO4 D 512 >ILE~D 7 74.02 -7.70 103.34 73.03 -8.70 103.17 73.52 -8.20 103.26 3 0 10.93 -999 ? O4 PO4 C 507 >ASP~D 8 77.63 -4.58 100.99 76.31 -3.43 102.19 76.97 -4.01 101.59 2 0 9.91 -999 ? O4 PO4 C 507 >GLN~D 9 81.21 -8.57 100.83 82.87 -9.68 101.55 82.04 -9.13 101.19 2 0 -4.36 -999 ? O1 PO4 D 512s >LEU~D 10 75.01 -10.61 98.06 74.64 -12.17 99.49 74.83 -11.39 98.78 3 0 8.39 -999 ? O3 PO4 C 507 >HIS.D 11 78.18 -8.12 93.96 78.92 -6.47 95.03 78.55 -7.30 94.49 3 0 -3.73 -999 ? O2 PO4 C 507s >HIS.D 12 73.68 -10.16 88.98 74.33 -9.04 87.33 74.01 -9.60 88.16 3 0 -3.80 -999 ? O3 PO4 C 507s >GLU.D 13 77.41 -10.74 87.27 78.24 -9.04 86.32 77.82 -9.89 86.80 2 0 6.02 -999 ? O2 PO4 C 507 >ASP~D 14 79.82 -12.69 93.55 80.91 -10.93 93.04 80.37 -11.81 93.30 2 0 6.38 -999 ? O2 PO4 C 507 >SER~D 15 78.40 -17.20 92.10 78.20 -17.65 89.72 78.30 -17.43 90.91 2 0 11.04 -999 ? O3 PO4 C 507 >TRP~D 16 82.82 -16.44 96.65 83.42 -14.33 93.39 83.12 -15.39 95.02 3 0 -4.13 -999 ? O3 PO4 D 512s >ARG~D 17 80.45 -13.06 98.55 82.86 -11.51 97.44 81.65 -12.29 98.00 2 0 -3.86 -999 ? O3 PO4 D 512s >LEU~D 18 74.86 -17.37 95.02 73.65 -15.72 94.33 74.25 -16.54 94.67 3 0 9.59 -999 ? O3 PO4 C 507 >PHE~D 19 77.39 -22.36 94.49 76.55 -23.33 92.00 76.97 -22.85 93.24 3 0 11.34 -999 ? O4 PO4 D 512 >ARG~D 20 79.22 -20.53 103.04 80.61 -20.94 105.75 79.92 -20.74 104.40 2 0 8.02 -999 ? O4 PO4 D 512 >ILE~D 21 73.22 -18.66 100.08 72.40 -17.51 100.01 72.81 -18.09 100.05 3 0 10.72 -999 ? O4 PO4 D 512 >LEU~D 22 73.67 -23.40 97.72 72.88 -25.34 97.20 73.28 -24.37 97.46 3 0 13.18 -999 ? O4 PO4 D 512 >ALA~D 23 75.67 -24.92 101.37 77.17 -24.63 101.44 76.42 -24.78 101.41 2 0 10.56 -999 ? O4 PO4 D 512 >GLU~D 24 75.48 -21.36 104.90 75.58 -19.52 105.94 75.53 -20.44 105.42 2 0 10.41 -999 ? O4 PO4 D 512 >PHE~D 25 69.13 -23.08 102.60 67.69 -20.72 102.97 68.41 -21.90 102.78 3 0 12.79 -999 ? O1 PO4 C 511 >VAL~D 26 71.99 -28.21 102.56 72.95 -29.11 100.84 72.47 -28.66 101.70 3 0 8.34 -999 ? O1 PO4 D 508 >GLU~D 27 76.44 -28.49 105.04 78.39 -28.09 105.76 77.42 -28.29 105.40 2 0 11.29 -999 ? O1 PO4 D 508 >GLY~D 28 71.46 -27.08 107.93 71.36 -27.72 107.41 71.41 -27.40 107.67 1 0 10.19 -999 ? O1 PO4 D 508 >PHE~D 29 67.17 -27.84 105.07 65.92 -25.41 104.49 66.54 -26.63 104.78 3 0 7.55 -999 ? O2 PO4 C 511 >GLU~D 30 72.43 -34.12 106.02 74.09 -34.51 104.75 73.26 -34.31 105.38 2 0 -3.70 -999 ? O1 PO4 D 508s >THR~D 31 72.04 -32.07 110.04 73.74 -30.98 110.79 72.89 -31.52 110.42 2 0 9.09 -999 ? O1 PO4 D 508 >LEU~D 32 68.11 -29.72 111.71 68.73 -27.99 112.81 68.42 -28.85 112.26 3 0 9.48 -999 ? O2 PO4 C 511 >SER~D 33 66.43 -33.43 109.89 67.33 -34.02 107.68 66.88 -33.73 108.78 2 0 4.17 -999 ? O2 PO4 C 511 >GLU~D 34 70.09 -36.92 109.19 72.13 -36.73 108.65 71.11 -36.83 108.92 2 0 -3.46 -999 ? O4 PO4 D 508s >LEU.D 35 68.03 -34.29 115.43 69.82 -33.07 115.65 68.92 -33.68 115.54 3 0 10.70 -999 ? O4 PO4 D 508 >GLN.D 36 66.64 -40.14 115.04 68.21 -41.58 115.08 67.42 -40.86 115.06 2 0 10.10 -999 ? O4 PO4 D 508 >VAL.D 37 64.69 -36.00 119.33 66.07 -34.93 120.64 65.38 -35.46 119.99 3 0 13.56 -999 ? O4 PO4 C 511 >PRO.D 38 60.66 -34.87 120.58 62.38 -33.86 119.60 61.52 -34.37 120.09 3 0 13.16 -999 ? O4 PO4 C 511 >LEU^D 39 64.37 -29.63 117.56 66.00 -30.83 116.79 65.18 -30.23 117.17 3 0 11.44 -999 ? O4 PO4 C 511 >VAL^D 40 62.95 -26.80 120.98 61.89 -26.84 122.90 62.42 -26.82 121.94 3 0 16.71 -999 ? O4 PO4 C 511 >SER^D 41 64.58 -23.56 119.88 64.46 -23.64 117.46 64.52 -23.60 118.67 2 0 14.36 -999 ? O3 PO4 D 506 >VAL^D 42 65.89 -21.11 122.50 66.15 -21.84 124.52 66.02 -21.47 123.51 3 0 11.57 -999 ? O3 PO4 D 506 >PHE^D 43 67.52 -16.01 120.16 69.39 -14.48 118.71 68.45 -15.25 119.44 3 0 -4.95 -999 ? O3 PO4 D 506s >GLY.D 44 68.26 -15.05 124.78 68.83 -15.06 124.17 68.54 -15.05 124.48 1 0 5.42 -999 ? O4 PO4 D 506 >SER.D 45 70.79 -12.37 125.69 71.84 -10.61 127.02 71.32 -11.49 126.36 2 0 -4.08 -999 ? O2 PO4 D 506s >ALA.D 46 74.32 -12.97 124.46 74.76 -12.65 123.05 74.54 -12.81 123.75 2 0 -3.57 -999 ? O2 PO4 D 506s >ARG.D 47 75.00 -7.09 125.28 75.61 -4.81 123.31 75.30 -5.95 124.29 2 0 6.55 -999 ? O1 PO4 D 506 >PHE.D 48 71.67 -10.73 130.41 70.04 -8.49 129.93 70.86 -9.61 130.17 3 0 7.35 -999 ? O2 PO4 D 506 >GLY.D 49 76.59 -14.00 132.04 76.03 -13.75 132.53 76.31 -13.88 132.28 1 0 10.81 -999 ? O2 PO4 D 506 >GLU.D 50 78.59 -18.23 134.31 80.46 -19.19 134.63 79.52 -18.71 134.47 2 0 16.90 -999 ? O2 PO4 D 506 >GLY.D 51 75.29 -14.92 138.08 74.83 -14.99 137.39 75.06 -14.95 137.73 1 0 16.14 -999 ? O2 PO4 D 506 >HIS~D 52 71.58 -11.56 134.39 70.07 -10.18 133.90 70.82 -10.87 134.15 3 0 11.27 -999 ? O2 PO4 D 506 >PRO~D 53 68.54 -12.73 137.92 69.64 -14.17 136.60 69.09 -13.45 137.26 3 0 14.93 -999 ? O2 PO4 D 506 >ALA~D 54 68.53 -15.04 132.84 68.63 -13.93 131.80 68.58 -14.48 132.32 2 0 10.13 -999 ? O2 PO4 D 506 >TYR~D 55 74.29 -17.49 132.54 76.39 -19.26 131.94 75.34 -18.37 132.24 3 0 12.71 -999 ? O2 PO4 D 506 >GLU~D 56 70.74 -19.67 138.04 69.23 -21.17 137.94 69.99 -20.42 137.99 2 0 18.70 -999 ? O2 PO4 D 506 >ALA~D 57 67.44 -19.83 134.10 66.35 -18.76 133.92 66.90 -19.30 134.01 2 0 14.68 -999 ? O4 PO4 D 506 >GLY~D 58 69.00 -20.74 130.76 69.09 -21.12 131.54 69.05 -20.93 131.15 1 0 13.34 -999 ? O2 PO4 D 506 >TYR~D 59 72.72 -24.66 133.81 74.27 -27.00 134.04 73.50 -25.83 133.92 3 0 19.03 -999 ? O2 PO4 D 506 >ARG~D 60 66.46 -23.37 137.62 64.68 -20.87 137.56 65.57 -22.12 137.59 2 0 19.15 -999 ? O4 PO4 D 506 >LEU~D 61 65.79 -23.39 129.92 64.15 -23.12 128.51 64.97 -23.26 129.21 3 0 15.31 -999 ? O4 PO4 D 506 >GLY~D 62 68.76 -26.45 129.03 68.30 -26.66 129.70 68.53 -26.56 129.37 1 0 17.15 -999 ? O3 PO4 D 506 >ARG~D 63 69.27 -30.15 135.35 70.92 -29.40 137.81 70.10 -29.77 136.58 2 0 24.19 -999 ? O2 PO4 D 506 >ALA~D 64 65.15 -29.57 132.16 64.21 -28.49 132.69 64.68 -29.03 132.43 2 0 21.53 -999 ? O4 PO4 D 506 >LEU~D 65 64.98 -28.78 127.35 63.60 -27.35 126.51 64.29 -28.07 126.93 3 0 18.94 -999 ? O3 PO4 D 506 >ALA~D 66 67.33 -32.50 128.02 68.80 -32.30 128.37 68.06 -32.40 128.19 2 0 22.18 -999 ? O3 PO4 D 506 >GLU~D 67 67.40 -33.80 132.72 67.65 -33.34 134.78 67.53 -33.57 133.75 2 0 26.07 -999 ? O3 PO4 D 506 >ALA~D 68 62.34 -34.33 129.46 61.51 -33.06 129.45 61.92 -33.69 129.45 2 0 22.55 -999 ? O4 PO4 C 511 >GLY.D 69 63.67 -35.81 126.24 63.62 -35.05 126.28 63.65 -35.43 126.26 1 0 19.45 -999 ? O4 PO4 C 511 >PHE.D 70 61.51 -31.55 124.58 58.72 -31.74 124.98 60.12 -31.64 124.78 3 0 18.12 -999 ? O4 PO4 C 511 >GLY^D 71 66.83 -31.43 122.12 66.12 -30.91 122.29 66.47 -31.17 122.21 1 0 16.19 -999 ? O4 PO4 C 511 >VAL^D 72 67.80 -27.74 122.24 68.82 -27.54 124.18 68.31 -27.64 123.21 3 0 16.53 -999 ? O3 PO4 D 506 >VAL^D 73 68.66 -25.40 119.35 68.11 -25.83 117.28 68.38 -25.62 118.32 3 0 14.62 -999 ? O3 PO4 D 506 >THR^D 74 70.27 -22.03 120.16 71.55 -22.65 121.81 70.91 -22.34 120.99 2 0 11.12 -999 ? O3 PO4 D 506 >GLY.D 75 72.01 -19.21 118.29 72.37 -19.74 118.86 72.19 -19.47 118.58 1 0 8.12 -999 ? O3 PO4 D 506 >GLY.D 76 75.20 -20.67 119.75 75.04 -19.98 119.85 75.12 -20.32 119.80 1 0 9.95 -999 ? O3 PO4 D 506 >GLY.D 77 76.85 -17.53 121.11 76.50 -18.06 121.63 76.68 -17.80 121.37 1 0 8.09 -999 ? O3 PO4 D 506 >PRO.D 78 79.40 -15.08 123.36 77.82 -16.55 123.96 78.61 -15.81 123.66 3 0 8.58 -999 ? O2 PO4 D 506 >GLY~D 79 75.81 -15.49 127.62 75.83 -16.22 127.30 75.82 -15.86 127.46 1 0 7.91 -999 ? O2 PO4 D 506 >VAL~D 80 72.36 -16.99 128.09 70.40 -16.23 128.70 71.38 -16.61 128.39 3 0 8.32 -999 ? O2 PO4 D 506 >MET?D 81 72.79 -18.88 124.80 70.87 -18.05 122.01 71.83 -18.46 123.40 2 0 6.60 -999 ? O3 PO4 D 506 >GLU~D 82 78.13 -21.18 126.95 79.86 -20.29 127.73 78.99 -20.74 127.34 2 0 13.53 -999 ? O2 PO4 D 506 >ALA~D 83 73.77 -21.36 129.46 72.97 -20.31 130.24 73.37 -20.84 129.85 2 0 12.38 -999 ? O2 PO4 D 506 >VAL~D 84 71.07 -23.31 127.61 69.23 -22.80 126.56 70.15 -23.06 127.09 3 0 13.09 -999 ? O3 PO4 D 506 >ASN~D 85 74.69 -24.62 124.63 73.89 -24.22 122.68 74.29 -24.42 123.66 2 0 13.03 -999 ? O3 PO4 D 506 >ARG~D 86 78.07 -24.79 131.42 80.64 -24.56 133.09 79.35 -24.67 132.26 2 0 19.46 -999 ? O2 PO4 D 506 >GLY~D 87 72.57 -27.21 130.71 72.82 -27.46 129.98 72.70 -27.33 130.34 1 0 18.48 -999 ? O3 PO4 D 506 >ALA~D 88 71.18 -29.49 127.99 70.53 -29.02 126.69 70.86 -29.26 127.34 2 0 18.40 -999 ? O3 PO4 D 506 >TYR~D 89 77.01 -30.66 126.18 79.22 -32.16 125.32 78.12 -31.41 125.75 3 0 21.50 -999 ? O3 PO4 D 506 >GLU~D 90 77.54 -29.84 131.12 78.28 -28.50 132.58 77.91 -29.17 131.85 2 0 21.47 -999 ? O2 PO4 D 506 >ALA.D 91 72.52 -33.39 130.95 71.19 -32.63 130.98 71.86 -33.01 130.97 2 0 23.34 -999 ? O3 PO4 D 506 >GLY.D 92 73.41 -35.66 128.03 72.88 -35.05 127.97 73.14 -35.36 128.00 1 0 22.45 -999 ? O4 PO4 D 508 >GLY.D 93 70.77 -34.10 125.81 71.59 -33.99 125.68 71.18 -34.04 125.75 1 0 20.30 -999 ? O4 PO4 D 508 >VAL.D 94 71.10 -33.14 122.16 70.45 -34.03 120.27 70.77 -33.58 121.21 3 0 15.96 -999 ? O4 PO4 D 508 >SER^D 95 72.43 -29.57 122.01 73.68 -27.80 123.15 73.05 -28.69 122.58 2 0 16.55 -999 ? O3 PO4 D 506 >VAL^D 96 72.49 -27.71 118.70 71.42 -28.43 116.98 71.95 -28.07 117.84 3 0 15.63 -999 ? O4 PO4 D 508 >GLY^D 97 74.12 -24.39 117.91 73.91 -24.85 117.22 74.02 -24.62 117.56 1 0 13.47 -999 ? O3 PO4 D 506 >LEU^D 98 71.77 -21.95 114.51 70.41 -23.47 113.81 71.09 -22.71 114.16 3 0 13.06 -999 ? O3 PO4 D 506 >ASN^D 99 77.76 -20.89 115.39 77.67 -22.23 117.06 77.72 -21.56 116.23 2 0 12.98 -999 ? O3 PO4 D 506 >ILE^D 100 75.79 -15.95 113.22 74.88 -15.00 112.60 75.33 -15.48 112.91 3 0 9.78 -999 ? O3 PO4 D 506 >GLU.D 101 81.09 -18.16 110.35 82.01 -18.70 108.50 81.55 -18.43 109.42 2 0 8.87 -999 ? O2 PO4 D 512 >LEU.D 102 79.70 -12.23 114.65 77.82 -11.41 115.37 78.76 -11.82 115.01 3 0 9.46 -999 ? O3 PO4 D 506 >PRO.D 108 81.54 -21.27 116.93 81.90 -20.65 119.04 81.72 -20.96 117.98 3 0 14.28 -999 ? O3 PO4 D 506 >ASN.D 109 79.40 -21.83 123.69 77.68 -22.95 123.12 78.54 -22.39 123.41 2 0 13.20 -999 ? O3 PO4 D 506 >PRO.D 110 83.09 -24.79 125.26 81.79 -24.96 123.47 82.44 -24.88 124.37 3 0 17.64 -999 ? O3 PO4 D 506 >TYR.D 111 78.93 -26.25 126.97 80.67 -25.70 129.10 79.80 -25.97 128.04 3 0 18.13 -999 ? O3 PO4 D 506 >GLN.D 112 77.04 -25.88 120.59 77.45 -24.55 118.98 77.25 -25.22 119.79 2 0 14.47 -999 ? O3 PO4 D 506 >THR.D 113 76.41 -31.90 120.19 75.09 -33.39 121.00 75.75 -32.65 120.60 2 0 16.46 -999 ? O4 PO4 D 508 >HIS^D 114 74.63 -32.40 116.19 74.31 -34.47 116.28 74.47 -33.43 116.24 3 0 12.00 -999 ? O4 PO4 D 508 >ALA^D 115 77.64 -27.11 115.59 79.03 -26.73 116.11 78.33 -26.92 115.85 2 0 17.43 -999 ? O1 PO4 D 508 >LEU^D 116 74.91 -25.41 112.04 73.82 -26.95 110.98 74.36 -26.18 111.51 3 0 13.14 -999 ? O1 PO4 D 508 >SER^D 117 78.60 -22.75 110.87 80.68 -21.94 109.86 79.64 -22.35 110.37 2 0 11.81 -999 ? O4 PO4 D 512 >LEU^D 118 74.87 -20.02 110.02 73.42 -21.61 109.90 74.15 -20.81 109.96 3 0 14.42 -999 ? O4 PO4 D 512 >ARG.D 119 80.32 -16.80 105.85 83.30 -17.07 105.13 81.81 -16.94 105.49 2 0 4.92 -999 ? O2 PO4 D 512 >TYR~D 120 74.15 -15.84 104.19 76.16 -15.06 102.41 75.16 -15.45 103.30 3 0 8.75 -999 ? O1 PO4 D 512 >PHE~D 121 70.07 -12.25 108.32 68.75 -10.92 106.24 69.41 -11.59 107.28 3 0 13.81 -999 ? O3 PO4 D 506 >PHE~D 122 68.61 -15.24 104.42 70.41 -15.71 102.35 69.51 -15.48 103.39 3 0 14.18 -999 ? O1 PO4 D 512 >VAL~D 123 69.30 -19.22 106.68 70.78 -20.23 105.47 70.04 -19.73 106.07 3 0 15.11 -999 ? O4 PO4 D 512 >ARG~D 124 70.92 -17.43 113.49 72.42 -16.25 115.87 71.67 -16.84 114.68 2 0 6.99 -999 ? O3 PO4 D 506 >LYS~D 125 66.04 -17.95 110.82 65.64 -12.40 111.29 65.84 -15.17 111.05 2 0 11.27 -999 ? O3 PO4 D 506 >VAL~D 126 64.64 -20.76 108.67 64.40 -21.17 106.51 64.52 -20.97 107.59 3 0 12.11 -999 ? O1 PO4 C 511 >LEU~D 127 68.15 -23.59 110.54 69.20 -24.53 108.89 68.68 -24.06 109.71 3 0 11.54 -999 ? O2 PO4 C 511 >PHE~D 128 66.52 -20.11 115.16 68.60 -19.29 116.86 67.56 -19.70 116.01 3 0 10.27 -999 ? O3 PO4 D 506 >VAL~D 129 61.74 -22.90 113.12 61.02 -20.97 112.46 61.38 -21.94 112.79 3 0 13.00 -999 ? O1 PO4 C 511 >ARG~D 130 61.58 -26.94 107.77 60.50 -29.80 107.45 61.04 -28.37 107.61 2 0 -3.70 -999 ? O1 PO4 C 511s >TYR.D 131 63.55 -29.55 111.55 64.77 -29.91 109.06 64.16 -29.73 110.31 3 0 6.01 -999 ? O4 PO4 C 511 >ALA^D 132 60.80 -26.57 116.20 60.96 -25.06 116.39 60.88 -25.81 116.29 2 0 13.16 -999 ? O4 PO4 C 511 >VAL^D 133 58.12 -27.98 118.48 58.91 -29.93 119.08 58.51 -28.96 118.78 3 0 13.39 -999 ? O4 PO4 C 511 >GLY^D 134 58.43 -24.96 120.72 59.10 -24.98 120.17 58.77 -24.97 120.44 1 0 16.94 -999 ? O4 PO4 C 511 >PHE^D 135 61.46 -20.32 119.22 63.84 -19.42 118.05 62.65 -19.87 118.64 3 0 12.28 -999 ? O3 PO4 D 506 >VAL^D 136 61.57 -20.23 124.34 61.81 -21.49 126.09 61.69 -20.86 125.22 3 0 13.45 -999 ? O4 PO4 D 506 >PHE^D 137 61.85 -15.87 122.42 61.80 -16.54 119.71 61.82 -16.20 121.07 3 0 9.82 -999 ? O4 PO4 D 506 >LEU.D 138 66.03 -16.29 128.03 66.23 -18.17 129.08 66.13 -17.23 128.56 3 0 9.89 -999 ? O4 PO4 D 506 >PRO.D 139 65.09 -12.40 130.68 65.57 -12.57 128.50 65.33 -12.48 129.59 3 0 8.74 -999 ? O4 PO4 D 506 >GLY.D 140 67.86 -10.44 125.64 67.30 -9.87 125.85 67.58 -10.16 125.75 1 0 -3.82 -999 ? O4 PO4 D 506s >GLY~D 141 68.50 -7.42 123.43 68.24 -8.07 123.00 68.37 -7.75 123.21 1 0 -3.44 -999 ? O4 PO4 D 506s >PHE~D 142 69.11 -4.31 118.99 68.86 -1.52 119.21 68.99 -2.91 119.10 3 0 -6.88 -999 ? O1 PO4 D 506s >GLY~D 143 69.01 -10.17 118.61 68.44 -9.89 119.09 68.72 -10.03 118.85 1 0 -3.44 -999 ? O1 PO4 D 506s >THR~D 144 66.37 -11.71 120.88 66.52 -12.44 122.92 66.44 -12.07 121.90 2 0 -3.79 -999 ? O4 PO4 D 506s >LEU~D 145 63.81 -7.66 120.03 62.16 -6.26 119.91 62.98 -6.96 119.97 3 0 7.90 -999 ? O4 PO4 D 506 >ASP~D 146 65.95 -9.64 115.64 66.14 -10.30 113.62 66.05 -9.97 114.63 2 0 9.05 -999 ? O1 PO4 D 506 >GLU~D 147 64.80 -15.95 117.09 64.54 -16.53 115.06 64.67 -16.24 116.07 2 0 10.31 -999 ? O3 PO4 D 506 >LEU~D 148 60.83 -12.36 119.83 58.97 -12.44 120.91 59.90 -12.40 120.37 3 0 10.16 -999 ? O4 PO4 D 506 >SER~D 149 59.39 -10.78 115.98 60.27 -8.59 116.53 59.83 -9.68 116.25 2 0 10.44 -999 ? O2 PO4 C 505 >GLU~D 150 62.51 -13.20 111.91 61.87 -13.75 109.97 62.19 -13.48 110.94 2 0 12.06 -999 ? O3 PO4 C 505 >VAL~D 151 58.65 -16.17 114.95 59.14 -17.61 116.49 58.89 -16.89 115.72 3 0 13.39 -999 ? O3 PO4 C 505 >LEU~D 152 55.35 -12.94 116.53 55.22 -13.02 118.69 55.29 -12.98 117.61 3 0 10.22 -999 ? O3 PO4 C 505 >VAL~D 153 55.17 -13.12 112.03 55.75 -11.50 110.67 55.46 -12.31 111.35 3 0 6.54 -999 ? O3 PO4 C 505 >LEU~D 154 57.08 -17.44 110.82 59.07 -17.21 109.92 58.08 -17.33 110.37 3 0 12.06 -999 ? O3 PO4 C 505 >LEU~D 155 53.37 -18.13 114.53 54.76 -19.79 114.78 54.06 -18.96 114.66 3 0 13.01 -999 ? O3 PO4 C 505 >GLN~D 156 49.94 -12.83 112.23 50.49 -10.76 112.26 50.22 -11.79 112.25 2 0 4.60 -999 ? O3 PO4 C 505 >THR~D 157 51.12 -15.54 108.79 52.19 -14.23 107.46 51.66 -14.89 108.12 2 0 7.71 -999 ? O3 PO4 C 505 >GLU.D 158 48.65 -19.68 108.71 47.81 -17.78 109.02 48.23 -18.73 108.87 2 0 11.60 -999 ? O3 PO4 C 505 >LYS.D 159 54.65 -19.42 106.93 54.60 -14.26 105.00 54.62 -16.84 105.97 2 0 9.11 -999 ? O1 PO4 C 505 >VAL.D 160 55.57 -22.28 109.24 56.93 -22.14 110.94 56.25 -22.21 110.09 3 0 12.61 -999 ? O1 PO4 C 511 >HIS.D 161 55.62 -26.55 112.10 57.56 -26.65 112.91 56.59 -26.60 112.50 3 0 10.67 -999 ? O1 PO4 C 511 >ARG.D 162 50.72 -26.00 116.21 51.32 -25.98 119.22 51.02 -25.99 117.71 2 0 18.18 -999 ? O4 PO4 C 511 >PHE.D 163 56.59 -23.49 117.00 57.85 -21.37 115.68 57.22 -22.43 116.34 3 0 15.65 -999 ? O1 PO4 C 511 >PRO.D 164 53.65 -25.13 122.13 54.21 -23.33 120.95 53.93 -24.23 121.54 3 0 19.39 -999 ? O4 PO4 C 511 >VAL^D 165 56.17 -19.75 122.20 56.58 -18.24 120.65 56.38 -18.99 121.42 3 0 15.84 -999 ? O4 PO4 D 506 >PHE^D 166 56.81 -21.27 126.42 55.26 -23.57 126.01 56.03 -22.42 126.22 3 0 18.57 -999 ? O4 PO4 D 506 >LEU^D 167 57.92 -14.37 126.91 57.91 -13.44 124.96 57.92 -13.91 125.93 3 0 12.79 -999 ? O4 PO4 D 506 >LEU^D 168 61.76 -17.06 130.62 61.65 -19.21 130.45 61.71 -18.13 130.54 3 0 13.81 -999 ? O4 PO4 D 506 >ASP~D 169 61.88 -12.72 132.82 62.37 -11.20 134.21 62.12 -11.96 133.52 2 0 14.00 -999 ? O4 PO4 D 506 >ARG~D 170 54.32 -13.49 134.81 52.19 -15.03 133.21 53.25 -14.26 134.01 2 0 21.13 -999 ? O4 PO4 D 506 >GLY~D 171 58.92 -8.40 134.50 59.07 -8.79 133.79 59.00 -8.59 134.14 1 0 16.40 -999 ? O4 PO4 D 506 >TYR~D 172 63.80 -8.55 130.66 65.95 -7.59 129.15 64.87 -8.07 129.91 3 0 9.32 -999 ? O4 PO4 D 506 >TRP~D 173 60.24 -11.70 128.81 61.60 -11.46 125.14 60.92 -11.58 126.98 3 0 10.00 -999 ? O4 PO4 D 506 >GLU~D 174 55.49 -4.71 132.28 53.73 -5.83 132.63 54.61 -5.27 132.45 2 0 19.56 -999 ? O4 PO4 D 506 >GLY~D 175 57.08 -3.11 128.35 56.97 -3.86 128.10 57.03 -3.49 128.23 1 0 15.79 -999 ? O4 PO4 D 506 >LEU~D 176 58.01 -6.10 124.71 57.42 -6.67 122.70 57.71 -6.39 123.70 3 0 12.72 -999 ? O4 PO4 D 506 >VAL~D 177 53.80 -7.15 125.69 53.95 -8.41 127.47 53.88 -7.78 126.58 3 0 16.59 -999 ? O4 PO4 D 506 >ARG~D 178 51.95 -3.06 130.48 51.60 -3.09 133.53 51.78 -3.07 132.01 2 0 22.53 -999 ? O4 PO4 D 506 >TRP~D 179 53.92 0.17 121.82 55.41 -1.54 118.59 54.67 -0.69 120.20 3 0 10.91 -999 ? O2 PO4 C 505 >LEU~D 180 52.38 -6.79 121.82 54.06 -7.57 120.74 53.22 -7.18 121.28 3 0 11.29 -999 ? O3 PO4 C 505 >ALA~D 181 48.55 -5.12 123.53 48.44 -5.09 125.05 48.49 -5.11 124.29 2 0 15.46 -999 ? O2 PO4 C 505 >PHE~D 182 49.38 0.69 121.59 49.16 2.94 119.93 49.27 1.81 120.76 3 0 12.92 -999 ? O2 PO4 C 505 >LEU~D 183 49.93 -3.73 118.26 51.87 -2.95 117.76 50.90 -3.34 118.01 3 0 8.14 -999 ? O2 PO4 C 505 >ARG~D 184 44.19 -8.18 120.91 44.69 -8.70 123.90 44.44 -8.44 122.40 2 0 15.70 -999 ? O3 PO4 C 505 >ASP~D 185 44.24 -1.34 121.74 44.07 -2.34 123.61 44.16 -1.84 122.68 2 0 16.19 -999 ? O4 PO4 C 505 >GLN~D 186 46.84 1.12 118.31 45.69 2.89 118.40 46.27 2.00 118.35 2 0 13.23 -999 ? O4 PO4 C 505 >LYS.D 187 43.82 -3.26 115.24 39.01 -3.59 116.61 41.41 -3.42 115.93 2 0 14.00 -999 ? O4 PO4 C 505 >ALA.D 188 47.38 -3.46 113.89 48.58 -2.72 114.49 47.98 -3.09 114.19 2 0 6.24 -999 ? O4 PO4 C 505 >VAL.D 189 47.17 -7.11 114.93 48.25 -8.24 116.45 47.71 -7.67 115.69 3 0 7.05 -999 ? O3 PO4 C 505 >GLY.D 190 44.35 -9.63 114.92 44.80 -9.49 115.56 44.57 -9.56 115.24 1 0 9.36 -999 ? O3 PO4 C 505 >PRO.D 191 40.36 -10.17 116.33 42.37 -10.47 117.23 41.37 -10.32 116.78 3 0 12.93 -999 ? O3 PO4 C 505 >GLU~D 192 42.18 -15.46 118.68 42.19 -15.61 120.80 42.18 -15.54 119.74 2 0 16.86 -999 ? O3 PO4 C 505 >ASP~D 193 48.01 -11.63 116.64 47.28 -12.03 114.67 47.65 -11.83 115.65 2 0 8.25 -999 ? O3 PO4 C 505 >LEU~D 194 48.14 -11.10 122.14 48.37 -9.02 121.61 48.26 -10.06 121.88 3 0 12.74 -999 ? O3 PO4 C 505 >GLN~D 195 45.47 -16.45 122.55 46.03 -18.10 123.81 45.75 -17.27 123.18 2 0 18.63 -999 ? O3 PO4 C 505 >LEU~D 196 51.33 -16.14 118.47 49.95 -16.26 116.81 50.64 -16.20 117.64 3 0 12.00 -999 ? O3 PO4 C 505 >PHE~D 197 53.42 -14.09 122.99 52.45 -11.50 123.46 52.93 -12.79 123.22 3 0 14.43 -999 ? O3 PO4 C 505 >ARG^D 198 52.18 -20.57 127.35 51.35 -21.97 129.95 51.77 -21.27 128.65 2 0 22.96 -999 ? O4 PO4 D 506 >LEU^D 199 54.34 -13.99 130.31 54.83 -12.52 128.79 54.58 -13.26 129.55 3 0 16.99 -999 ? O4 PO4 D 506 >THR^D 200 56.00 -17.65 132.31 56.10 -19.34 130.94 56.05 -18.50 131.62 2 0 18.40 -999 ? O4 PO4 D 506 >ASP.D 201 57.90 -16.58 136.54 56.75 -14.82 136.36 57.33 -15.70 136.45 2 0 19.60 -999 ? O4 PO4 D 506 >GLU~D 202 59.90 -20.29 138.09 61.68 -19.14 138.34 60.79 -19.72 138.21 2 0 19.93 -999 ? O4 PO4 D 506 >PRO~D 203 63.81 -21.97 133.87 61.64 -22.42 133.59 62.72 -22.19 133.73 3 0 17.81 -999 ? O4 PO4 D 506 >GLU~D 204 60.18 -27.31 136.79 61.96 -28.07 135.96 61.07 -27.69 136.38 2 0 23.60 -999 ? O4 PO4 D 506 >GLU~D 205 56.03 -22.72 135.42 55.49 -20.72 135.75 55.76 -21.72 135.59 2 0 22.09 -999 ? O4 PO4 D 506 >VAL~D 206 57.71 -24.36 130.02 58.88 -22.97 128.84 58.29 -23.67 129.43 3 0 18.85 -999 ? O4 PO4 D 506 >VAL~D 207 59.00 -27.94 130.12 60.88 -28.87 130.69 59.94 -28.40 130.40 3 0 21.98 -999 ? O4 PO4 D 506 >GLN~D 208 54.53 -29.00 134.08 52.94 -30.24 133.35 53.74 -29.62 133.71 2 0 28.18 -999 ? O4 PO4 D 506 >ALA~D 209 53.49 -27.23 129.09 53.36 -25.73 128.83 53.42 -26.48 128.96 2 0 23.30 -999 ? O4 PO4 D 506 >LEU~D 210 57.25 -28.67 126.37 58.26 -27.41 124.95 57.76 -28.04 125.66 3 0 20.14 -999 ? O4 PO4 C 511 >LYS~D 211 55.38 -32.36 127.79 59.01 -34.35 132.65 57.20 -33.35 130.22 2 0 25.88 -999 ? O4 PO4 C 511 >ALA~D 212 51.74 -31.84 126.84 50.79 -30.92 127.58 51.27 -31.38 127.21 2 0 23.68 -999 ? O4 PO4 C 511 >GLU.D 213 54.48 -33.00 122.57 54.67 -34.05 124.39 54.58 -33.52 123.48 2 0 18.91 -999 ? O4 PO4 C 511 >ALA.D 214 51.92 -35.00 120.28 52.93 -35.06 119.14 52.43 -35.03 119.71 2 0 15.19 -999 ? O4 PO4 C 511 >PRO.D 215 48.65 -37.60 120.94 50.85 -37.82 121.19 49.75 -37.71 121.06 3 0 18.99 -999 ? O4 PO4 C 511 >LYS.E 4 74.48 -48.33 106.81 73.88 -51.01 102.13 74.18 -49.67 104.47 2 0 9.74 -999 ? O2 PO4 E 509 >PRO.E 5 78.47 -49.35 105.86 77.35 -47.42 105.96 77.91 -48.39 105.91 3 0 11.42 -999 ? O2 PO4 D 508 >LEU~E 6 79.57 -42.62 104.89 79.94 -40.54 104.35 79.76 -41.58 104.62 3 0 8.20 -999 ? O2 PO4 D 508 >ILE~E 7 81.08 -45.43 100.82 81.79 -44.42 100.20 81.44 -44.92 100.51 3 0 10.65 -999 ? O2 PO4 E 509 >ASP~E 8 76.92 -48.49 101.44 78.67 -49.68 101.35 77.79 -49.08 101.39 2 0 9.64 -999 ? O2 PO4 E 509 >GLN~E 9 73.72 -44.27 103.36 72.95 -42.91 104.79 73.34 -43.59 104.07 2 0 4.32 -999 ? O2 PO4 D 508 >LEU~E 10 77.28 -42.60 97.45 78.56 -41.00 98.18 77.92 -41.80 97.82 3 0 8.14 -999 ? O1 PO4 E 509 >HIS.E 11 72.03 -45.03 96.22 71.92 -46.72 97.45 71.97 -45.87 96.84 3 0 -3.69 -999 ? O4 PO4 E 509s >HIS.E 12 72.67 -43.12 89.47 71.06 -44.23 88.71 71.86 -43.68 89.09 3 0 -3.79 -999 ? O1 PO4 E 509s >GLU.E 13 68.85 -42.35 90.42 67.06 -43.35 89.82 67.95 -42.85 90.12 2 0 6.78 -999 ? O4 PO4 E 509 >ASP~E 14 70.45 -40.12 96.91 69.40 -41.94 97.09 69.92 -41.03 97.00 2 0 6.50 -999 ? O4 PO4 E 509 >SER~E 15 71.03 -35.80 94.65 69.67 -35.48 92.66 70.35 -35.64 93.66 2 0 10.85 -999 ? O1 PO4 E 509 >TRP~E 16 70.00 -36.49 100.97 67.68 -38.79 98.76 68.84 -37.64 99.86 3 0 -3.99 -999 ? O3 PO4 D 508s >ARG~E 17 72.98 -39.30 101.34 70.91 -41.58 101.50 71.94 -40.44 101.42 2 0 -3.95 -999 ? O3 PO4 D 508s >LEU~E 18 75.44 -35.48 94.87 76.13 -37.22 93.77 75.79 -36.35 94.32 3 0 9.64 -999 ? O1 PO4 E 509 >PHE~E 19 73.08 -30.56 96.04 72.40 -29.76 93.46 72.74 -30.16 94.75 3 0 11.43 -999 ? O1 PO4 D 508 >ARG~E 20 76.67 -32.39 103.89 77.25 -32.03 106.89 76.96 -32.21 105.39 2 0 8.14 -999 ? O1 PO4 D 508 >ILE~E 21 79.87 -34.21 98.00 80.49 -35.33 97.39 80.18 -34.77 97.70 3 0 11.10 -999 ? O2 PO4 D 508 >LEU~E 22 78.11 -29.54 96.36 77.99 -27.87 94.98 78.05 -28.70 95.67 3 0 13.46 -999 ? O1 PO4 D 508 >ALA~E 23 78.47 -27.99 100.43 77.32 -28.33 101.37 77.89 -28.16 100.90 2 0 10.66 -999 ? O1 PO4 D 508 >GLU~E 24 80.98 -31.22 103.68 81.24 -33.25 104.27 81.11 -32.23 103.98 2 0 10.67 -999 ? O2 PO4 D 508 >PHE~E 25 84.39 -30.05 97.40 85.83 -32.36 96.78 85.11 -31.20 97.09 3 0 12.22 -999 ? O4 PO4 F 510 >VAL~E 26 82.29 -24.85 99.21 80.50 -23.89 98.38 81.40 -24.37 98.79 3 0 8.44 -999 ? O4 PO4 D 512 >GLU~E 27 80.24 -24.01 103.94 78.85 -24.83 105.31 79.54 -24.42 104.63 2 0 11.13 -999 ? O4 PO4 D 512 >GLY~E 28 86.03 -25.61 103.19 85.79 -25.04 102.63 85.91 -25.33 102.91 1 0 10.04 -999 ? O4 PO4 F 510 >PHE~E 29 87.56 -25.13 98.11 88.37 -27.46 96.80 87.96 -26.30 97.45 3 0 6.64 -999 ? O4 PO4 F 510 >GLU~E 30 84.05 -18.87 102.07 81.97 -18.44 101.90 83.01 -18.65 101.99 2 0 -3.31 -999 ? O4 PO4 D 512s >THR~E 31 87.19 -20.92 105.01 86.45 -21.83 106.82 86.82 -21.37 105.92 2 0 8.85 -999 ? O2 PO4 D 512 >LEU~E 32 91.15 -23.35 103.62 91.52 -25.09 104.86 91.33 -24.22 104.24 3 0 8.82 -999 ? O4 PO4 F 510 >SER~E 33 91.22 -19.55 101.28 89.11 -18.84 100.29 90.16 -19.19 100.79 2 0 4.29 -999 ? O1 PO4 F 510 >GLU~E 34 88.16 -17.06 104.16 86.20 -16.30 104.40 87.18 -16.68 104.28 2 0 -3.66 -999 ? O2 PO4 D 512s >LEU.E 35 93.44 -18.80 106.59 92.25 -19.95 107.99 92.84 -19.38 107.29 3 0 10.66 -999 ? O2 PO4 D 512 >GLN.E 36 94.18 -13.02 105.93 94.04 -10.92 106.23 94.11 -11.97 106.08 2 0 11.08 -999 ? O2 PO4 D 512 >VAL.E 37 98.81 -17.02 107.18 98.11 -17.15 109.25 98.46 -17.09 108.21 3 0 13.38 -999 ? O2 PO4 F 510 >PRO.E 38 102.58 -18.42 105.45 100.53 -19.22 105.76 101.55 -18.82 105.60 3 0 12.67 -999 ? O2 PO4 F 510 >LEU^E 39 97.48 -23.36 105.81 95.66 -22.28 106.23 96.57 -22.82 106.02 3 0 11.09 -999 ? O2 PO4 F 510 >VAL^E 40 100.72 -26.18 107.60 102.80 -26.24 108.28 101.76 -26.21 107.94 3 0 16.22 -999 ? O2 PO4 F 510 >SER^E 41 98.79 -29.46 107.81 97.36 -29.45 105.83 98.08 -29.46 106.82 2 0 14.42 -999 ? O4 PO4 F 510 >VAL^E 42 99.48 -31.83 110.65 100.52 -30.90 112.30 100.00 -31.36 111.48 3 0 11.72 -999 ? O1 PO4 E 504 >PHE^E 43 96.78 -36.93 109.95 94.34 -38.34 109.96 95.56 -37.63 109.95 3 0 5.21 -999 ? O4 PO4 E 504 >GLY.E 44 99.07 -37.80 114.07 98.24 -37.81 113.93 98.65 -37.81 114.00 1 0 5.43 -999 ? O1 PO4 E 504 >SER.E 45 97.59 -40.47 116.36 97.45 -41.97 118.23 97.52 -41.22 117.29 2 0 -4.09 -999 ? O2 PO4 E 504s >ALA.E 46 94.10 -39.79 117.63 92.82 -40.17 116.89 93.46 -39.98 117.26 2 0 -3.70 -999 ? O2 PO4 E 504s >ARG.E 47 94.07 -45.60 119.07 92.18 -47.69 117.87 93.12 -46.65 118.47 2 0 6.35 -999 ? O2 PO4 E 504 >PHE.E 48 99.89 -41.92 120.75 100.72 -44.42 119.72 100.30 -43.17 120.23 3 0 7.46 -999 ? O2 PO4 E 504 >GLY.E 49 96.88 -38.25 124.75 97.63 -38.55 124.75 97.25 -38.40 124.75 1 0 10.78 -999 ? O2 PO4 E 504 >GLU.E 50 97.01 -35.29 128.92 96.15 -33.59 129.87 96.58 -34.44 129.40 2 0 17.37 -999 ? O2 PO4 E 504 >GLY.E 51 101.69 -37.86 128.81 101.69 -37.76 127.95 101.69 -37.81 128.38 1 0 16.03 -999 ? O2 PO4 E 504 >HIS~E 52 100.99 -41.28 124.86 100.22 -43.18 125.29 100.60 -42.23 125.07 3 0 11.49 -999 ? O2 PO4 E 504 >PRO~E 53 106.75 -40.45 124.64 105.36 -38.80 124.12 106.05 -39.63 124.38 3 0 14.82 -999 ? O2 PO4 E 504 >ALA~E 54 103.99 -37.85 120.52 103.15 -38.87 119.78 103.57 -38.36 120.15 2 0 10.19 -999 ? O1 PO4 E 504 >TYR~E 55 99.66 -34.88 123.85 97.73 -32.97 124.51 98.70 -33.92 124.18 3 0 13.16 -999 ? O2 PO4 E 504 >GLU~E 56 106.49 -32.88 125.18 105.55 -31.20 126.08 106.02 -32.04 125.63 2 0 19.11 -999 ? O2 PO4 E 504 >ALA~E 57 106.04 -33.37 120.36 106.47 -34.60 119.58 106.25 -33.99 119.97 2 0 14.35 -999 ? O1 PO4 E 504 >GLY~E 58 102.76 -32.32 118.79 103.11 -31.99 119.46 102.94 -32.16 119.13 1 0 13.22 -999 ? O1 PO4 E 504 >TYR~E 59 102.15 -28.48 123.68 102.03 -25.96 124.89 102.09 -27.22 124.29 3 0 19.34 -999 ? O2 PO4 E 504 >ARG~E 60 108.25 -29.86 123.00 110.95 -30.38 121.69 109.60 -30.12 122.35 2 0 20.79 -999 ? O1 PO4 E 504 >LEU~E 61 104.87 -29.55 116.25 104.97 -29.72 114.10 104.92 -29.63 115.17 3 0 15.52 -999 ? O1 PO4 E 504 >GLY~E 62 102.00 -26.29 117.01 102.72 -26.12 117.41 102.36 -26.21 117.21 1 0 17.49 -999 ? O1 PO4 E 504 >ARG~E 63 105.69 -23.60 122.63 105.82 -20.94 124.14 105.76 -22.27 123.38 2 0 25.90 -999 ? O1 PO4 E 504 >ALA~E 64 106.56 -23.18 117.33 107.68 -24.20 117.12 107.12 -23.69 117.22 2 0 21.81 -999 ? O1 PO4 E 504 >LEU~E 65 103.37 -24.30 113.84 103.99 -25.80 112.38 103.68 -25.05 113.11 3 0 18.82 -999 ? O1 PO4 E 504 >ALA~E 66 102.12 -20.47 115.65 101.28 -20.63 116.90 101.70 -20.55 116.27 2 0 22.30 -999 ? O4 PO4 E 504 >GLU~E 67 105.48 -18.84 119.26 106.64 -19.70 120.80 106.06 -19.27 120.03 2 0 26.07 -999 ? O1 PO4 E 504 >ALA~E 68 106.77 -18.62 113.31 107.42 -19.86 112.71 107.09 -19.24 113.01 2 0 21.89 -999 ? O2 PO4 F 510 >GLY.E 69 103.58 -17.12 111.88 103.68 -17.89 111.84 103.63 -17.51 111.86 1 0 19.01 -999 ? O2 PO4 F 510 >PHE.E 70 104.07 -21.49 109.39 106.36 -21.28 107.82 105.21 -21.38 108.60 3 0 17.49 -999 ? O2 PO4 F 510 >GLY^E 71 98.58 -21.54 110.87 99.26 -22.07 110.55 98.92 -21.80 110.71 1 0 15.90 -999 ? O2 PO4 F 510 >VAL^E 72 98.01 -25.23 111.58 98.48 -25.42 113.69 98.25 -25.32 112.63 3 0 16.63 -999 ? O4 PO4 E 504 >VAL^E 73 95.45 -27.53 110.05 94.60 -26.99 108.11 95.03 -27.26 109.08 3 0 14.76 -999 ? O4 PO4 E 504 >THR^E 74 94.71 -30.84 111.80 94.88 -30.26 113.87 94.79 -30.55 112.83 2 0 11.18 -999 ? O4 PO4 E 504 >GLY.E 75 91.90 -33.40 111.68 92.05 -32.87 112.33 91.98 -33.14 112.00 1 0 8.41 -999 ? O4 PO4 E 504 >GLY.E 76 90.61 -31.81 114.85 90.81 -32.53 114.84 90.71 -32.17 114.85 1 0 10.31 -999 ? O4 PO4 E 504 >GLY.E 77 90.30 -34.98 116.90 90.89 -34.46 117.05 90.60 -34.72 116.98 1 0 8.28 -999 ? O4 PO4 E 504 >PRO~E 78 89.85 -37.40 120.30 91.45 -36.00 119.63 90.65 -36.70 119.97 3 0 8.79 -999 ? O2 PO4 E 504 >GLY~E 79 95.36 -37.10 121.00 95.13 -36.39 120.75 95.24 -36.74 120.87 1 0 8.11 -999 ? O2 PO4 E 504 >VAL~E 80 98.18 -35.67 118.97 99.95 -36.56 118.11 99.07 -36.12 118.54 3 0 8.48 -999 ? O2 PO4 E 504 >MET?E 81 95.76 -33.65 116.86 93.31 -36.00 114.25 94.54 -34.82 115.55 2 0 5.54 -999 ? O4 PO4 E 504 >GLU~E 82 93.59 -31.85 122.43 93.12 -32.94 124.18 93.36 -32.40 123.31 2 0 13.42 -999 ? O2 PO4 E 504 >ALA~E 83 98.13 -31.35 121.08 99.20 -32.43 121.24 98.67 -31.89 121.16 2 0 12.68 -999 ? O2 PO4 E 504 >VAL~E 84 98.96 -29.64 117.78 99.65 -30.22 115.79 99.31 -29.93 116.78 3 0 13.12 -999 ? O4 PO4 E 504 >ASN~E 85 94.36 -27.87 117.77 93.74 -28.65 115.87 94.05 -28.26 116.82 2 0 13.02 -999 ? O4 PO4 E 504 >ARG~E 86 96.58 -28.29 124.97 97.10 -28.94 127.90 96.84 -28.61 126.43 2 0 18.89 -999 ? O2 PO4 E 504 >GLY~E 87 100.04 -25.68 121.03 99.39 -25.42 120.61 99.71 -25.55 120.82 1 0 18.56 -999 ? O4 PO4 E 504 >ALA~E 88 99.13 -23.37 118.15 98.61 -23.83 116.79 98.87 -23.60 117.47 2 0 18.50 -999 ? O4 PO4 E 504 >TYR~E 89 93.72 -22.22 120.92 91.58 -20.90 122.13 92.65 -21.56 121.53 3 0 21.55 -999 ? O4 PO4 E 504 >GLU~E 90 97.07 -23.34 124.41 97.45 -24.47 126.16 97.26 -23.90 125.29 2 0 21.44 -999 ? O2 PO4 E 504 >ALA.E 91 100.33 -19.27 121.29 101.45 -19.97 120.57 100.89 -19.62 120.93 2 0 23.84 -999 ? O4 PO4 E 504 >GLY.E 92 97.82 -16.92 119.66 98.09 -17.58 119.29 97.95 -17.25 119.47 1 0 22.53 -999 ? O2 PO4 D 512 >GLY.E 93 97.98 -18.68 116.33 97.34 -18.77 116.76 97.66 -18.73 116.55 1 0 20.19 -999 ? O2 PO4 D 512 >VAL.E 94 95.39 -19.68 113.80 94.72 -18.75 111.95 95.05 -19.22 112.88 3 0 15.87 -999 ? O2 PO4 D 512 >SER^E 95 94.37 -23.28 114.54 94.14 -24.94 116.29 94.25 -24.11 115.42 2 0 16.74 -999 ? O4 PO4 E 504 >VAL^E 96 92.12 -25.17 112.11 91.83 -24.52 110.04 91.97 -24.84 111.08 3 0 15.43 -999 ? O2 PO4 D 512 >GLY^E 97 90.34 -28.44 112.67 90.01 -27.97 112.03 90.18 -28.20 112.35 1 0 13.47 -999 ? O4 PO4 E 504 >LEU^E 98 89.66 -30.79 108.49 90.34 -29.39 106.99 90.00 -30.09 107.74 3 0 13.18 -999 ? O4 PO4 E 504 >ASN^E 99 85.71 -31.72 113.11 86.73 -30.28 114.34 86.22 -31.00 113.73 2 0 13.33 -999 ? O4 PO4 E 504 >ILE^E 100 86.26 -36.70 110.04 86.03 -37.11 109.36 86.14 -36.90 109.70 3 0 9.72 -999 ? O4 PO4 E 504 >GLU.E 101 80.25 -34.72 111.06 78.51 -33.94 110.13 79.38 -34.33 110.59 2 0 9.93 -999 ? O1 PO4 D 508 >PRO.E 108 84.42 -32.22 117.46 86.09 -32.57 118.90 85.25 -32.40 118.18 3 0 13.50 -999 ? O4 PO4 E 504 >ASN.E 109 90.77 -30.60 120.51 91.38 -29.71 118.68 91.08 -30.15 119.60 2 0 13.16 -999 ? O4 PO4 E 504 >PRO.E 110 88.34 -28.42 124.25 88.72 -27.73 122.17 88.53 -28.07 123.21 3 0 17.53 -999 ? O4 PO4 E 504 >TYR.E 111 93.04 -26.60 122.46 93.34 -27.73 125.00 93.19 -27.16 123.73 3 0 17.71 -999 ? O4 PO4 E 504 >GLN.E 112 89.86 -27.08 116.64 88.54 -28.42 115.63 89.20 -27.75 116.14 2 0 14.29 -999 ? O4 PO4 E 504 >THR.E 113 90.06 -21.00 116.04 92.09 -20.25 115.73 91.07 -20.62 115.88 2 0 16.96 -999 ? O2 PO4 D 512 >HIS^E 114 89.35 -20.59 111.56 89.75 -18.54 111.36 89.55 -19.56 111.46 3 0 12.08 -999 ? O2 PO4 D 512 >ALA^E 115 86.19 -25.63 113.02 85.52 -25.94 114.35 85.86 -25.79 113.69 2 0 17.10 -999 ? O2 PO4 D 512 >LEU^E 116 85.77 -27.62 108.69 86.06 -25.57 108.02 85.91 -26.60 108.36 3 0 13.52 -999 ? O2 PO4 D 512 >SER^E 117 82.37 -30.33 110.06 81.13 -29.61 112.02 81.75 -29.97 111.04 2 0 14.56 -999 ? O1 PO4 D 508 >LEU^E 118 84.17 -32.88 106.59 85.41 -31.12 106.27 84.79 -32.00 106.43 3 0 14.54 -999 ? O2 PO4 D 508 >ARG.E 119 77.40 -36.12 106.69 74.55 -36.13 107.79 75.98 -36.13 107.24 2 0 4.86 -999 ? O4 PO4 D 508 >TYR~E 120 81.31 -37.03 101.91 78.61 -37.66 101.64 79.96 -37.34 101.78 3 0 8.35 -999 ? O2 PO4 D 508 >PHE~E 121 86.85 -40.57 103.18 86.03 -42.23 101.08 86.44 -41.40 102.13 3 0 13.43 -999 ? O4 PO4 E 504 >PHE~E 122 85.83 -37.98 98.94 83.06 -37.76 98.59 84.44 -37.87 98.76 3 0 13.52 -999 ? O2 PO4 D 508 >VAL~E 123 86.74 -33.83 100.79 84.85 -32.79 100.76 85.79 -33.31 100.77 3 0 14.51 -999 ? O4 PO4 F 510 >ARG~E 124 90.03 -35.46 106.93 89.75 -36.64 109.73 89.89 -36.05 108.33 2 0 7.27 -999 ? O4 PO4 E 504 >LYS~E 125 91.74 -34.89 102.06 92.88 -41.01 102.12 92.31 -37.95 102.09 2 0 11.16 -999 ? O4 PO4 E 504 >VAL~E 126 91.49 -32.24 99.35 90.32 -31.90 97.53 90.90 -32.07 98.44 3 0 11.63 -999 ? O4 PO4 F 510 >LEU~E 127 90.11 -29.34 102.96 88.21 -28.38 102.55 89.16 -28.86 102.75 3 0 10.72 -999 ? O4 PO4 F 510 >PHE~E 128 94.16 -32.67 105.59 93.65 -33.40 108.26 93.90 -33.04 106.92 3 0 10.46 -999 ? O4 PO4 E 504 >VAL~E 129 96.47 -30.19 100.76 96.54 -32.17 99.85 96.51 -31.18 100.31 3 0 12.47 -999 ? O4 PO4 F 510 >ARG~E 130 93.35 -26.29 96.31 94.26 -23.50 95.36 93.80 -24.89 95.83 2 0 -4.21 -999 ? O4 PO4 F 510s >TYR~E 131 94.36 -23.24 100.61 92.03 -22.63 99.17 93.20 -22.94 99.89 3 0 -4.78 -999 ? O4 PO4 F 510s >ALA^E 132 99.30 -26.61 102.26 99.37 -28.11 102.25 99.34 -27.36 102.25 2 0 12.48 -999 ? O2 PO4 F 510 >VAL^E 133 102.72 -25.00 102.50 103.42 -23.01 103.06 103.07 -24.01 102.78 3 0 12.87 -999 ? O2 PO4 F 510 >GLY^E 134 103.98 -27.98 104.46 103.12 -27.97 104.47 103.55 -27.97 104.46 1 0 16.24 -999 ? O2 PO4 F 510 >PHE^E 135 100.82 -32.66 105.23 98.25 -33.63 105.86 99.54 -33.14 105.55 3 0 12.36 -999 ? O1 PO4 E 504 >VAL^E 136 104.04 -32.83 109.23 105.14 -31.61 110.66 104.59 -32.22 109.94 3 0 13.49 -999 ? O1 PO4 E 504 >PHE^E 137 102.45 -37.23 108.16 100.82 -36.65 105.96 101.63 -36.94 107.06 3 0 9.73 -999 ? O1 PO4 E 504 >LEU.E 138 103.22 -36.56 115.13 103.74 -34.62 115.95 103.48 -35.59 115.54 3 0 10.18 -999 ? O1 PO4 E 504 >PRO.E 139 105.46 -40.53 116.63 103.73 -40.34 115.23 104.59 -40.44 115.93 3 0 8.99 -999 ? O1 PO4 E 504 >GLY.E 140 100.14 -42.56 114.57 100.67 -43.12 114.37 100.40 -42.84 114.47 1 0 4.14 -999 ? O1 PO4 E 504 >GLY~E 141 98.02 -45.43 113.28 98.03 -44.79 112.78 98.03 -45.11 113.03 1 0 -3.55 -999 ? O1 PO4 E 504s >PHE~E 142 94.88 -48.55 110.18 95.30 -51.33 110.30 95.09 -49.94 110.24 3 0 -6.79 -999 ? O3 PO4 E 504s >GLY~E 143 94.59 -42.67 109.77 95.37 -42.94 109.81 94.98 -42.80 109.79 1 0 -3.46 -999 ? O3 PO4 E 504s >THR~E 144 98.13 -41.30 109.82 99.37 -40.61 111.48 98.75 -40.96 110.65 2 0 -3.91 -999 ? O1 PO4 E 504s >LEU~E 145 99.45 -45.44 107.61 100.57 -46.63 106.16 100.01 -46.03 106.89 3 0 8.15 -999 ? O1 PO4 E 504 >ASP~E 146 95.03 -43.39 105.70 93.57 -42.47 104.46 94.30 -42.93 105.08 2 0 8.71 -999 ? O3 PO4 E 504 >GLU~E 147 96.94 -37.12 105.68 95.50 -36.74 104.18 96.22 -36.93 104.93 2 0 10.27 -999 ? O4 PO4 E 504 >LEU~E 148 101.83 -40.40 105.58 103.99 -40.29 105.43 102.91 -40.34 105.50 3 0 10.30 -999 ? O1 PO4 E 504 >SER~E 149 100.78 -42.26 101.81 98.95 -43.83 102.24 99.86 -43.05 102.02 2 0 10.62 -999 ? O1 PO4 F 502 >GLU~E 150 95.99 -39.18 99.25 94.05 -38.63 99.79 95.02 -38.90 99.52 2 0 13.71 -999 ? O4 PO4 F 502 >VAL~E 151 100.22 -37.03 100.22 100.76 -35.53 101.68 100.49 -36.28 100.95 3 0 13.33 -999 ? O1 PO4 F 502 >LEU~E 152 103.97 -40.10 99.42 105.46 -40.08 100.97 104.71 -40.09 100.19 3 0 10.03 -999 ? O1 PO4 F 502 >VAL~E 153 101.19 -40.22 95.89 99.72 -41.79 95.43 100.46 -41.01 95.66 3 0 6.67 -999 ? O1 PO4 F 502 >LEU~E 154 98.98 -35.93 96.08 96.81 -36.11 96.32 97.89 -36.02 96.20 3 0 12.10 -999 ? O1 PO4 F 502 >LEU~E 155 104.21 -35.08 96.64 104.05 -33.38 97.95 104.13 -34.23 97.29 3 0 13.16 -999 ? O1 PO4 F 502 >GLN~E 156 105.66 -40.45 92.89 105.06 -42.45 93.14 105.36 -41.45 93.01 2 0 4.65 -999 ? O1 PO4 F 502 >THR~E 157 102.40 -37.89 90.53 100.86 -39.29 90.98 101.63 -38.59 90.76 2 0 7.67 -999 ? O1 PO4 F 502 >GLU.E 158 104.39 -34.01 89.79 105.61 -33.27 88.26 105.00 -33.64 89.02 2 0 14.24 -999 ? O1 PO4 F 502 >LYS.E 159 98.40 -33.76 91.56 97.21 -39.84 90.91 97.81 -36.80 91.23 2 0 8.45 -999 ? O4 PO4 F 502 >VAL.E 160 99.12 -30.80 93.88 98.47 -31.70 95.75 98.79 -31.25 94.82 3 0 13.07 -999 ? O4 PO4 F 510 >HIS.E 161 100.91 -26.60 95.86 99.90 -26.72 97.70 100.40 -26.66 96.78 3 0 10.41 -999 ? O2 PO4 F 510 >ARG.E 162 107.66 -29.77 93.06 109.19 -30.72 90.56 108.43 -30.25 91.81 2 0 17.15 -999 ? O1 PO4 F 502 >PHE.E 163 102.93 -29.60 100.12 101.03 -31.70 100.19 101.98 -30.65 100.16 3 0 15.01 -999 ? O2 PO4 F 510 >PRO.E 164 108.30 -27.81 102.43 107.27 -29.67 101.71 107.78 -28.74 102.07 3 0 18.44 -999 ? O2 PO4 F 510 >VAL^E 165 106.72 -33.23 104.10 105.51 -34.85 103.31 106.11 -34.04 103.71 3 0 15.95 -999 ? O1 PO4 E 504 >PHE^E 166 109.22 -31.67 107.78 110.48 -29.57 106.42 109.85 -30.62 107.10 3 0 18.93 -999 ? O1 PO4 E 504 >LEU^E 167 108.34 -38.53 109.13 107.15 -39.36 107.52 107.74 -38.95 108.32 3 0 12.90 -999 ? O1 PO4 E 504 >LEU^E 168 107.89 -35.68 114.19 108.65 -33.68 114.50 108.27 -34.68 114.34 3 0 14.30 -999 ? O1 PO4 E 504 >ASP.E 169 108.89 -39.96 116.37 109.31 -41.31 117.95 109.10 -40.63 117.16 2 0 13.95 -999 ? O1 PO4 E 504 >ARG.E 170 116.36 -39.73 113.67 117.38 -38.32 111.13 116.87 -39.03 112.40 2 0 21.58 -999 ? O1 PO4 E 504 >GLY.E 171 112.39 -44.51 116.16 111.83 -44.14 115.74 112.11 -44.33 115.95 1 0 16.55 -999 ? O1 PO4 E 504 >TYR.E 172 106.18 -44.31 115.99 103.49 -45.10 116.12 104.84 -44.70 116.06 3 0 9.36 -999 ? O1 PO4 E 504 >TRP~E 173 107.75 -41.08 112.15 104.40 -41.71 110.17 106.08 -41.39 111.16 3 0 10.05 -999 ? O1 PO4 E 504 >GLU~E 174 113.93 -47.80 112.00 114.95 -48.88 113.48 114.44 -48.34 112.74 2 0 19.80 -999 ? O1 PO4 E 504 >GLY~E 175 109.83 -49.78 110.11 109.78 -49.02 109.82 109.80 -49.40 109.97 1 0 15.76 -999 ? O1 PO4 E 504 >LEU~E 176 106.89 -46.73 107.77 105.36 -46.20 106.35 106.12 -46.46 107.06 3 0 12.28 -999 ? O1 PO4 E 504 >VAL~E 177 110.90 -45.98 106.16 111.93 -44.14 106.71 111.42 -45.06 106.44 3 0 16.25 -999 ? O1 PO4 F 502 >ARG~E 178 114.81 -50.42 109.22 114.23 -53.22 108.03 114.52 -51.82 108.63 2 0 19.58 -999 ? O2 PO4 F 502 >TRP~E 179 108.57 -53.17 103.18 105.22 -51.59 101.83 106.90 -52.38 102.51 3 0 11.00 -999 ? O2 PO4 F 502 >LEU~E 180 109.74 -46.29 101.94 107.71 -45.62 102.37 108.72 -45.95 102.16 3 0 11.15 -999 ? O1 PO4 F 502 >ALA~E 181 113.77 -48.22 100.97 114.86 -48.24 102.04 114.32 -48.23 101.50 2 0 15.33 -999 ? O1 PO4 F 502 >PHE~E 182 111.55 -53.99 100.33 110.59 -56.32 99.10 111.07 -55.16 99.71 3 0 12.71 -999 ? O2 PO4 F 502 >LEU~E 183 109.17 -49.57 97.98 107.26 -50.14 98.78 108.21 -49.85 98.38 3 0 8.00 -999 ? O2 PO4 F 502 >ARG~E 184 116.17 -46.76 96.57 116.51 -44.68 98.80 116.34 -45.72 97.68 2 0 15.09 -999 ? O1 PO4 F 502 >ASP~E 185 115.96 -51.88 96.90 117.31 -50.70 98.03 116.63 -51.29 97.47 2 0 15.99 -999 ? O2 PO4 F 502 >GLN~E 186 111.47 -54.69 96.06 111.91 -56.50 95.07 111.69 -55.60 95.56 2 0 12.55 -999 ? O2 PO4 F 502 >LYS~E 187 112.14 -50.26 92.00 115.09 -49.53 87.14 113.61 -49.89 89.57 2 0 12.78 -999 ? O3 PO4 F 502 >ALA.E 188 108.41 -49.86 92.69 107.64 -50.63 93.76 108.03 -50.25 93.23 2 0 5.79 -999 ? O2 PO4 F 502 >VAL.E 189 109.33 -46.26 93.43 109.13 -45.31 95.37 109.23 -45.78 94.40 3 0 6.67 -999 ? O1 PO4 F 502 >GLY.E 190 111.49 -43.69 91.69 111.55 -43.91 92.46 111.52 -43.80 92.08 1 0 9.17 -999 ? O1 PO4 F 502 >PRO.E 191 115.53 -43.08 90.38 114.48 -42.98 92.34 115.01 -43.03 91.36 3 0 12.74 -999 ? O1 PO4 F 502 >GLU.E 192 114.63 -37.96 92.60 116.26 -36.96 91.69 115.44 -37.46 92.15 2 0 16.51 -999 ? O1 PO4 F 502 >ASP~E 193 109.89 -41.47 95.04 109.38 -41.18 93.01 109.64 -41.33 94.02 2 0 8.45 -999 ? O1 PO4 F 502 >LEU~E 194 113.00 -42.15 99.48 112.32 -44.19 99.45 112.66 -43.17 99.47 3 0 12.39 -999 ? O1 PO4 F 502 >GLN~E 195 115.29 -38.03 97.55 116.38 -38.87 99.18 115.83 -38.45 98.36 2 0 16.85 -999 ? O1 PO4 F 502 >LEU.E 196 108.52 -37.09 98.54 108.12 -36.87 96.42 108.32 -36.98 97.48 3 0 11.98 -999 ? O1 PO4 F 502 >PHE^E 197 109.44 -38.75 103.49 110.45 -41.36 103.34 109.94 -40.06 103.41 3 0 14.38 -999 ? O1 PO4 F 502 >ARG^E 198 115.12 -33.23 106.57 116.97 -33.50 104.13 116.05 -33.37 105.35 2 0 22.35 -999 ? O1 PO4 F 502 >LEU^E 199 113.05 -39.40 108.99 111.41 -40.32 110.05 112.23 -39.86 109.52 3 0 16.55 -999 ? O1 PO4 E 504 >THR^E 200 113.29 -35.96 112.07 113.62 -33.87 111.58 113.45 -34.91 111.83 2 0 19.37 -999 ? O1 PO4 E 504 >ASP.E 201 114.40 -36.39 116.65 114.66 -38.48 116.41 114.53 -37.44 116.53 2 0 19.08 -999 ? O1 PO4 E 504 >GLU~E 202 115.71 -32.16 116.70 116.38 -32.88 114.81 116.04 -32.52 115.75 2 0 22.29 -999 ? O1 PO4 E 504 >PRO~E 203 109.12 -31.36 117.73 110.43 -30.54 116.14 109.78 -30.95 116.93 3 0 18.08 -999 ? O1 PO4 E 504 >GLU~E 204 112.06 -25.70 118.24 113.27 -24.29 119.31 112.67 -24.99 118.77 2 0 25.57 -999 ? O1 PO4 E 504 >GLU~E 205 116.34 -28.38 112.67 116.54 -26.76 111.31 116.44 -27.57 111.99 2 0 25.64 -999 ? O1 PO4 E 504 >VAL~E 206 110.69 -28.72 111.06 109.04 -30.15 111.18 109.86 -29.44 111.12 3 0 18.86 -999 ? O1 PO4 E 504 >VAL~E 207 109.52 -25.15 111.61 108.40 -24.19 113.21 108.96 -24.67 112.41 3 0 21.78 -999 ? O1 PO4 E 504 >GLN~E 208 115.50 -23.38 110.93 115.75 -21.41 111.76 115.63 -22.39 111.35 2 0 27.56 -999 ? O2 PO4 F 510 >ALA~E 209 113.06 -25.65 107.48 113.11 -27.18 107.36 113.08 -26.42 107.42 2 0 23.39 -999 ? O1 PO4 E 504 >LEU~E 210 108.28 -24.72 107.52 107.06 -26.50 107.61 107.67 -25.61 107.56 3 0 19.56 -999 ? O2 PO4 F 510 >LYS~E 211 110.49 -20.84 107.24 108.60 -16.68 109.64 109.54 -18.76 108.44 2 0 20.67 -999 ? O2 PO4 F 510 >ALA~E 212 113.49 -21.41 104.98 114.58 -22.45 105.22 114.04 -21.93 105.10 2 0 23.49 -999 ? O2 PO4 F 510 >GLU~E 213 111.99 -25.06 102.43 111.42 -27.09 102.38 111.70 -26.08 102.41 2 0 20.85 -999 ? O2 PO4 F 510 >ALA.E 214 108.62 -19.78 102.14 108.14 -19.68 103.59 108.38 -19.73 102.86 2 0 16.74 -999 ? O2 PO4 F 510 >PRO.E 215 111.43 -16.49 102.65 109.66 -16.92 101.37 110.55 -16.70 102.01 3 0 18.52 -999 ? O2 PO4 F 510 >PRO.F 2 103.12 -24.04 81.59 101.34 -23.14 82.58 102.23 -23.59 82.08 3 0 16.79 -999 ? O3 PO4 F 510 >LYS.F 3 98.17 -25.92 83.49 93.09 -29.14 81.48 95.63 -27.53 82.48 2 0 16.28 -999 ? O3 PO4 F 510 >LYS.F 4 98.44 -26.52 87.23 95.55 -21.28 89.17 97.00 -23.90 88.20 2 0 6.81 -999 ? O3 PO4 F 510 >PRO.F 5 100.17 -29.14 90.30 98.36 -29.08 88.99 99.26 -29.11 89.64 3 0 13.31 -999 ? O2 PO4 F 510 >LEU~F 6 94.18 -32.51 89.33 92.20 -33.20 88.82 93.19 -32.85 89.08 3 0 14.23 -999 ? O4 PO4 F 510 >ILE~F 7 94.50 -30.66 94.14 94.56 -31.35 95.33 94.53 -31.01 94.73 3 0 10.94 -999 ? O4 PO4 F 510 >ASP~F 8 96.73 -26.27 92.13 97.99 -27.05 93.63 97.36 -26.66 92.88 2 0 9.53 -999 ? O2 PO4 F 510 >GLN~F 9 94.03 -27.18 87.54 93.68 -28.55 85.94 93.86 -27.87 86.74 2 0 12.72 -999 ? O3 PO4 F 510 >LEU~F 10 89.79 -26.84 93.02 88.72 -28.63 92.52 89.26 -27.73 92.77 3 0 8.08 -999 ? O4 PO4 F 510 >HIS.F 11 91.14 -21.23 91.67 93.00 -21.43 90.72 92.07 -21.33 91.19 3 0 -3.79 -999 ? O3 PO4 F 510s >HIS.F 12 87.14 -19.08 97.45 87.35 -16.99 97.52 87.24 -18.03 97.48 3 0 3.86 -999 ? O1 PO4 F 510s >GLU.F 13 86.14 -16.23 92.58 86.63 -15.24 94.36 86.38 -15.73 93.47 2 0 4.79 -999 ? O3 PO4 D 512 >ASP.F 14 86.24 -21.75 89.86 85.60 -22.65 88.07 85.92 -22.20 88.97 2 0 9.29 -999 ? O3 PO4 F 510 >SER~F 15 82.15 -23.02 92.32 81.63 -21.68 94.25 81.89 -22.35 93.29 2 0 8.01 -999 ? O4 PO4 D 512 >TRP~F 16 79.01 -21.14 88.43 75.45 -22.79 88.57 77.23 -21.96 88.50 3 0 14.13 -999 ? O4 PO4 D 512 >ARG~F 17 87.50 -26.22 88.22 88.41 -25.80 85.33 87.95 -26.01 86.78 2 0 11.57 -999 ? O3 PO4 F 510 >LEU~F 18 82.13 -27.93 92.67 83.46 -27.22 94.23 82.79 -27.57 93.45 3 0 11.24 -999 ? O4 PO4 F 510 >PHE~F 19 77.50 -28.66 89.44 75.50 -27.59 91.10 76.50 -28.13 90.27 3 0 16.75 -999 ? O4 PO4 D 512 >ARG~F 20 83.98 -30.09 84.30 86.89 -29.90 83.38 85.43 -30.00 83.84 2 0 15.99 -999 ? O3 PO4 F 510 >ILE~F 21 83.73 -33.18 91.55 84.73 -33.07 92.58 84.23 -33.13 92.07 3 0 14.87 -999 ? O4 PO4 F 510 >LEU~F 22 78.53 -33.50 91.50 78.34 -32.68 93.50 78.43 -33.09 92.50 3 0 13.20 -999 ? O1 PO4 E 509 >ALA~F 23 78.77 -35.66 87.59 78.80 -34.76 86.35 78.79 -35.21 86.97 2 0 12.97 -999 ? O1 PO4 E 509 >GLU~F 24 84.27 -38.51 87.40 86.04 -37.52 86.84 85.16 -38.01 87.12 2 0 15.35 -999 ? O1 PO4 E 509 >PHE~F 25 81.17 -38.89 92.99 83.24 -38.65 94.85 82.20 -38.77 93.92 3 0 10.90 -999 ? O1 PO4 E 509 >VAL~F 26 76.93 -39.94 89.15 75.23 -38.67 88.62 76.08 -39.31 88.88 3 0 7.14 -999 ? O1 PO4 E 509 >GLU~F 27 78.41 -39.77 84.04 79.54 -38.11 83.33 78.98 -38.94 83.69 2 0 12.54 -999 ? O1 PO4 E 509 >GLY~F 28 80.64 -43.78 87.88 79.84 -43.69 87.96 80.24 -43.74 87.92 1 0 8.00 -999 ? O1 PO4 E 509 >PHE~F 29 77.76 -43.65 92.17 79.10 -42.52 94.36 78.43 -43.09 93.27 3 0 -5.36 -999 ? O1 PO4 E 509s >GLU~F 30 74.57 -43.55 86.47 73.72 -42.52 84.84 74.15 -43.04 85.66 2 0 7.53 -999 ? O1 PO4 E 509 >THR~F 31 78.32 -47.56 85.15 79.87 -46.87 83.82 79.09 -47.22 84.49 2 0 10.06 -999 ? O1 PO4 E 509 >LEU~F 32 80.45 -49.47 89.09 82.58 -49.21 88.74 81.51 -49.34 88.91 3 0 8.55 -999 ? O2 PO4 E 509 >SER~F 33 76.06 -50.42 89.63 74.43 -48.59 89.48 75.25 -49.51 89.56 2 0 -2.60 -999 ? O3 PO4 E 509s >GLU~F 34 73.41 -51.58 84.07 74.04 -51.45 82.06 73.73 -51.51 83.07 2 0 9.99 -999 ? O3 PO4 E 509 >LEU~F 35 78.56 -54.31 86.43 79.99 -53.69 84.93 79.28 -54.00 85.68 3 0 10.69 -999 ? O3 PO4 E 509 >GLN.F 36 73.40 -57.66 87.50 71.64 -58.17 86.41 72.52 -57.92 86.96 2 0 11.70 -999 ? O3 PO4 E 509 >VAL.F 37 79.05 -59.77 88.03 80.28 -59.59 86.25 79.67 -59.68 87.14 3 0 14.55 -999 ? O3 PO4 E 509 >PRO.F 38 79.91 -61.82 91.75 80.34 -59.81 90.90 80.12 -60.82 91.33 3 0 14.67 -999 ? O2 PO4 E 509 >LEU^F 39 82.84 -55.39 91.25 81.92 -54.60 89.47 82.38 -54.99 90.36 3 0 11.38 -999 ? O2 PO4 E 509 >VAL^F 40 86.68 -57.43 92.96 87.40 -59.39 93.61 87.04 -58.41 93.28 3 0 16.81 -999 ? O2 PO4 E 509 >SER^F 41 89.14 -54.56 93.09 87.78 -52.61 93.51 88.46 -53.58 93.30 2 0 14.13 -999 ? O4 PO4 F 502 >VAL^F 42 92.84 -55.09 92.48 93.32 -57.04 91.63 93.08 -56.07 92.05 3 0 11.59 -999 ? O4 PO4 F 502 >PHE^F 43 95.90 -50.21 93.47 96.59 -47.57 92.70 96.24 -48.89 93.08 3 0 -4.97 -999 ? O4 PO4 F 502s >GLY.F 44 99.41 -53.18 92.23 99.17 -52.47 91.83 99.29 -52.82 92.03 1 0 5.30 -999 ? O2 PO4 F 502 >SER.F 45 102.60 -51.69 90.81 104.94 -51.71 90.14 103.77 -51.70 90.47 2 0 -4.09 -999 ? O3 PO4 F 502s >ALA.F 46 102.36 -49.60 87.67 101.90 -48.14 87.67 102.13 -48.87 87.67 2 0 -3.52 -999 ? O3 PO4 F 502s >ARG.F 47 107.65 -47.47 88.99 108.30 -44.61 89.87 107.98 -46.04 89.43 2 0 6.45 -999 ? O1 PO4 F 502 >PHE.F 48 106.58 -54.58 89.55 107.84 -53.88 91.94 107.21 -54.23 90.74 3 0 7.35 -999 ? O3 PO4 F 502 >GLY.F 49 106.04 -55.19 83.44 106.34 -55.72 83.96 106.19 -55.46 83.70 1 0 10.74 -999 ? O3 PO4 F 502 >GLU.F 50 104.57 -58.11 79.48 104.71 -56.11 78.83 104.64 -57.11 79.16 2 0 14.61 -999 ? O3 PO4 F 502 >GLY.F 51 108.13 -61.18 83.16 107.73 -60.67 83.64 107.93 -60.92 83.40 1 0 16.00 -999 ? O3 PO4 F 502 >HIS~F 52 108.22 -57.69 88.31 108.59 -57.17 90.31 108.41 -57.43 89.31 3 0 10.82 -999 ? O3 PO4 F 502 >PRO~F 53 109.16 -62.04 90.05 107.33 -61.47 88.94 108.25 -61.75 89.50 3 0 14.59 -999 ? O3 PO4 F 502 >ALA~F 54 104.18 -59.46 90.33 104.43 -58.08 90.90 104.30 -58.77 90.62 2 0 9.85 -999 ? O2 PO4 F 502 >TYR~F 55 103.16 -58.62 84.21 101.65 -58.33 81.89 102.41 -58.47 83.05 3 0 12.99 -999 ? O3 PO4 F 502 >GLU~F 56 105.13 -63.63 85.34 106.98 -64.63 85.66 106.05 -64.13 85.50 2 0 17.71 -999 ? O3 PO4 F 502 >ALA~F 57 100.96 -63.23 89.55 101.49 -62.80 90.88 101.22 -63.02 90.22 2 0 14.23 -999 ? O2 PO4 F 502 >GLY~F 58 98.66 -60.44 88.40 98.84 -61.17 88.03 98.75 -60.81 88.22 1 0 13.11 -999 ? O2 PO4 F 502 >TYR~F 59 98.25 -63.20 82.87 96.90 -64.02 80.56 97.57 -63.61 81.71 3 0 18.77 -999 ? O3 PO4 F 502 >ARG~F 60 100.24 -67.67 88.11 103.12 -66.59 88.37 101.68 -67.13 88.24 2 0 18.49 -999 ? O2 PO4 F 502 >LEU~F 61 95.31 -62.50 90.35 94.31 -61.79 92.13 94.81 -62.15 91.24 3 0 15.39 -999 ? O2 PO4 F 502 >GLY~F 62 92.79 -61.92 86.81 92.99 -62.74 86.91 92.89 -62.33 86.86 1 0 17.27 -999 ? O4 PO4 F 502 >ARG~F 63 94.13 -68.00 82.98 92.56 -69.16 80.58 93.34 -68.58 81.78 2 0 25.61 -999 ? O3 PO4 F 502 >ALA~F 64 91.31 -67.13 88.16 92.20 -67.33 89.40 91.76 -67.23 88.78 2 0 21.41 -999 ? O2 PO4 F 502 >LEU~F 65 89.29 -62.92 89.47 89.90 -62.17 91.40 89.59 -62.55 90.44 3 0 18.86 -999 ? O4 PO4 F 502 >ALA~F 66 87.28 -64.37 85.74 87.97 -64.03 84.43 87.62 -64.20 85.08 2 0 22.22 -999 ? O4 PO4 F 502 >GLU~F 67 88.96 -69.78 84.67 89.52 -68.48 83.12 89.24 -69.13 83.90 2 0 25.39 -999 ? O4 PO4 F 502 >ALA~F 68 85.30 -67.88 88.95 86.03 -67.52 90.23 85.67 -67.70 89.59 2 0 23.40 -999 ? O2 PO4 E 509 >GLY.F 69 82.64 -65.49 87.65 83.27 -65.18 88.02 82.95 -65.33 87.84 1 0 20.58 -999 ? O2 PO4 E 509 >PHE.F 70 84.62 -63.09 91.64 84.05 -64.46 94.01 84.34 -63.78 92.82 3 0 19.16 -999 ? O2 PO4 E 509 >GLY^F 71 84.60 -59.07 87.52 84.98 -59.25 88.35 84.79 -59.16 87.93 1 0 16.48 -999 ? O2 PO4 E 509 >VAL^F 72 87.89 -57.24 88.15 89.33 -58.42 87.03 88.61 -57.83 87.59 3 0 16.56 -999 ? O4 PO4 F 502 >VAL^F 73 88.30 -53.51 88.77 86.62 -52.32 89.54 87.46 -52.92 89.15 3 0 14.66 -999 ? O4 PO4 F 502 >THR^F 74 91.74 -51.94 88.39 92.54 -53.10 86.78 92.14 -52.52 87.59 2 0 11.19 -999 ? O4 PO4 F 502 >GLY.F 75 93.18 -48.47 87.91 93.16 -49.06 87.30 93.17 -48.77 87.61 1 0 8.60 -999 ? O4 PO4 F 502 >GLY.F 76 93.36 -49.26 84.21 93.98 -49.09 84.64 93.67 -49.17 84.42 1 0 10.76 -999 ? O4 PO4 F 502 >GLY.F 77 97.06 -48.51 83.86 96.86 -49.29 83.92 96.96 -48.90 83.89 1 0 8.80 -999 ? O4 PO4 F 502 >PRO.F 78 101.39 -48.47 83.37 99.75 -49.93 83.08 100.57 -49.20 83.23 3 0 8.22 -999 ? O3 PO4 F 502 >GLY~F 79 102.23 -52.86 84.98 101.51 -53.00 84.66 101.87 -52.93 84.82 1 0 7.65 -999 ? O3 PO4 F 502 >VAL~F 80 100.56 -55.41 87.24 100.31 -55.64 89.41 100.43 -55.53 88.32 3 0 8.19 -999 ? O3 PO4 F 502 >MET?F 81 97.35 -53.46 86.64 96.80 -50.78 88.93 97.07 -52.12 87.78 2 0 5.93 -999 ? O4 PO4 F 502 >GLU~F 82 98.88 -54.67 80.83 99.95 -53.74 79.27 99.41 -54.21 80.05 2 0 13.33 -999 ? O3 PO4 F 502 >ALA~F 83 98.44 -57.81 83.92 99.55 -58.22 84.88 99.00 -58.02 84.40 2 0 12.22 -999 ? O3 PO4 F 502 >VAL~F 84 95.28 -58.23 85.93 94.87 -57.86 88.02 95.08 -58.05 86.97 3 0 12.97 -999 ? O4 PO4 F 502 >ASN~F 85 92.94 -55.28 82.75 92.18 -53.77 84.07 92.56 -54.53 83.41 2 0 13.18 -999 ? O4 PO4 F 502 >ARG~F 86 97.99 -59.38 78.60 99.67 -59.30 76.02 98.83 -59.34 77.31 2 0 18.93 -999 ? O3 PO4 F 502 >GLY~F 87 94.46 -62.07 82.64 93.87 -61.52 82.46 94.16 -61.80 82.55 1 0 18.29 -999 ? O3 PO4 F 502 >ALA~F 88 90.73 -61.52 83.26 90.13 -60.42 84.14 90.43 -60.97 83.70 2 0 18.45 -999 ? O4 PO4 F 502 >TYR~F 89 90.38 -58.50 77.88 89.51 -57.59 75.39 89.94 -58.04 76.63 3 0 21.43 -999 ? O4 PO4 F 502 >GLU~F 90 93.87 -61.87 77.41 95.89 -62.03 76.74 94.88 -61.95 77.08 2 0 21.08 -999 ? O3 PO4 F 502 >ALA~F 91 89.80 -65.54 80.04 90.08 -65.78 81.52 89.94 -65.66 80.78 2 0 23.58 -999 ? O4 PO4 F 502 >GLY.F 92 86.46 -64.07 78.92 86.79 -63.84 79.62 86.63 -63.96 79.27 1 0 24.72 -999 ? O3 PO4 E 509 >GLY.F 93 85.82 -62.22 82.17 85.97 -61.82 81.47 85.89 -62.02 81.82 1 0 21.61 -999 ? O3 PO4 E 509 >VAL.F 94 84.40 -58.73 82.65 82.39 -57.92 83.08 83.40 -58.33 82.87 3 0 17.28 -999 ? O3 PO4 E 509 >SER^F 95 87.35 -56.32 82.91 89.72 -55.91 82.41 88.54 -56.12 82.66 2 0 16.80 -999 ? O4 PO4 F 502 >VAL^F 96 86.86 -52.84 84.38 85.10 -52.26 85.51 85.98 -52.55 84.94 3 0 15.12 -999 ? O2 PO4 E 509 >GLY^F 97 89.35 -49.97 84.46 88.55 -49.71 84.52 88.95 -49.84 84.49 1 0 13.82 -999 ? O4 PO4 F 502 >LEU^F 98 88.78 -46.81 88.02 87.02 -47.61 89.00 87.90 -47.21 88.51 3 0 13.32 -999 ? O4 PO4 F 502 >ASN^F 99 91.18 -44.83 82.70 91.04 -46.83 82.02 91.11 -45.83 82.36 2 0 13.80 -999 ? O4 PO4 F 502 >ILE.F 100 93.60 -41.18 86.56 92.67 -40.57 87.46 93.13 -40.88 87.01 3 0 11.17 -999 ? O4 PO4 F 502 >PRO.F 108 93.28 -45.17 78.80 95.08 -46.48 78.89 94.18 -45.82 78.85 3 0 14.60 -999 ? O4 PO4 F 502 >ASN.F 109 95.99 -51.70 79.96 94.37 -52.14 81.28 95.18 -51.92 80.62 2 0 13.16 -999 ? O4 PO4 F 502 >PRO.F 110 95.79 -53.15 75.14 94.23 -52.19 76.44 95.01 -52.67 75.79 3 0 17.75 -999 ? O3 PO4 F 502 >TYR.F 111 94.49 -56.24 77.98 96.74 -56.57 76.37 95.61 -56.40 77.17 3 0 17.69 -999 ? O3 PO4 F 502 >GLN.F 112 90.60 -51.74 80.57 90.75 -49.71 81.15 90.67 -50.72 80.86 2 0 14.79 -999 ? O4 PO4 F 502 >THR.F 113 85.50 -54.45 78.86 84.48 -56.28 79.35 84.99 -55.37 79.11 2 0 18.80 -999 ? O3 PO4 E 509 >HIS^F 114 82.23 -52.13 81.22 80.50 -53.19 80.67 81.36 -52.66 80.95 3 0 14.31 -999 ? O3 PO4 E 509 >ALA^F 115 86.97 -48.34 80.64 87.92 -48.07 79.47 87.45 -48.21 80.06 2 0 17.82 -999 ? O4 PO4 F 502 >LEU^F 116 85.50 -45.60 84.39 83.62 -46.63 84.79 84.56 -46.12 84.59 3 0 12.90 -999 ? O1 PO4 E 509 >SER^F 117 87.37 -42.09 82.17 87.92 -42.17 79.83 87.64 -42.13 81.00 2 0 18.34 -999 ? O4 PO4 F 502 >LEU.F 118 87.91 -41.02 86.63 86.53 -42.69 86.78 87.22 -41.85 86.71 3 0 14.74 -999 ? O1 PO4 E 509 >ARG.F 119 88.33 -32.96 85.09 90.21 -30.59 85.66 89.27 -31.78 85.37 2 0 14.37 -999 ? O3 PO4 F 510 >TYR~F 120 88.00 -34.83 89.85 87.32 -32.51 88.45 87.66 -33.67 89.15 3 0 15.20 -999 ? O4 PO4 F 510 >PHE~F 121 93.09 -38.04 93.10 93.37 -35.88 94.88 93.23 -36.96 93.99 3 0 13.13 -999 ? O4 PO4 F 502 >PHE~F 122 88.62 -36.78 95.02 87.79 -34.39 93.80 88.21 -35.58 94.41 3 0 15.32 -999 ? O4 PO4 F 510 >VAL~F 123 86.17 -40.19 92.75 84.81 -39.33 91.28 85.49 -39.76 92.02 3 0 12.95 -999 ? O1 PO4 E 509 >ARG~F 124 91.18 -44.70 89.81 94.15 -44.51 89.17 92.66 -44.61 89.49 2 0 7.72 -999 ? O4 PO4 F 502 >LYS~F 125 88.96 -44.08 95.31 93.99 -42.06 98.40 91.48 -43.07 96.85 2 0 10.93 -999 ? O4 PO4 F 502 >VAL~F 126 85.19 -44.11 96.07 83.59 -42.65 96.59 84.39 -43.38 96.33 3 0 11.40 -999 ? O2 PO4 E 509 >LEU~F 127 84.63 -45.72 91.50 83.04 -44.65 90.45 83.84 -45.19 90.97 3 0 10.01 -999 ? O1 PO4 E 509 >PHE~F 128 89.50 -48.64 93.28 91.44 -48.83 91.28 90.47 -48.73 92.28 3 0 10.43 -999 ? O4 PO4 F 502 >VAL~F 129 85.05 -49.65 97.06 86.10 -48.47 98.55 85.57 -49.06 97.80 3 0 12.36 -999 ? O2 PO4 E 509 >ARG~F 130 78.56 -46.57 96.44 76.13 -48.43 96.74 77.35 -47.50 96.59 2 0 4.24 -999 ? O2 PO4 E 509 >TYR~F 131 79.28 -50.72 93.17 77.81 -48.37 92.79 78.55 -49.55 92.98 3 0 -4.75 -999 ? O2 PO4 E 509s >ALA^F 132 83.58 -54.11 96.12 84.87 -53.55 96.69 84.23 -53.83 96.40 2 0 12.75 -999 ? O2 PO4 E 509 >VAL^F 133 83.03 -57.73 97.12 82.25 -59.49 96.10 82.64 -58.61 96.61 3 0 14.37 -999 ? O2 PO4 E 509 >GLY^F 134 86.74 -58.01 97.91 86.59 -57.34 97.38 86.67 -57.67 97.65 1 0 17.02 -999 ? O2 PO4 E 509 >PHE^F 135 90.49 -53.65 97.36 91.36 -51.39 95.93 90.92 -52.52 96.64 3 0 12.14 -999 ? O4 PO4 F 502 >VAL^F 136 93.42 -57.68 96.38 93.35 -59.66 95.48 93.39 -58.67 95.93 3 0 13.50 -999 ? O2 PO4 F 502 >PHE^F 137 95.98 -54.08 98.21 93.84 -52.32 98.62 94.91 -53.20 98.42 3 0 9.95 -999 ? O2 PO4 F 502 >LEU.F 138 99.79 -57.46 93.32 98.82 -58.94 92.09 99.30 -58.20 92.71 3 0 9.86 -999 ? O2 PO4 F 502 >PRO.F 139 104.26 -57.94 95.07 102.94 -56.16 94.95 103.60 -57.05 95.01 3 0 8.57 -999 ? O2 PO4 F 502 >GLY.F 140 103.60 -51.99 94.24 103.96 -52.11 94.99 103.78 -52.05 94.62 1 0 -3.65 -999 ? O2 PO4 F 502s >GLY~F 141 104.78 -48.60 95.45 104.00 -48.68 95.47 104.39 -48.64 95.46 1 0 -3.41 -999 ? O2 PO4 F 502s >PHE~F 142 104.96 -43.59 97.03 107.33 -42.80 98.31 106.15 -43.20 97.67 3 0 -6.82 -999 ? O1 PO4 F 502s >GLY~F 143 99.94 -45.75 94.74 100.30 -46.27 95.26 100.12 -46.01 95.00 1 0 -3.54 -999 ? O4 PO4 F 502s >THR~F 144 99.42 -49.26 96.06 99.98 -51.22 95.31 99.70 -50.24 95.69 2 0 -3.88 -999 ? O2 PO4 F 502s >LEU~F 145 101.64 -47.69 100.10 102.32 -47.71 102.15 101.98 -47.70 101.13 3 0 7.96 -999 ? O2 PO4 F 502 >ASP~F 146 98.11 -44.30 98.02 96.47 -42.98 97.93 97.29 -43.64 97.98 2 0 8.77 -999 ? O4 PO4 F 502 >GLU~F 147 93.58 -48.79 96.70 92.01 -47.39 96.90 92.79 -48.09 96.80 2 0 10.20 -999 ? O4 PO4 F 502 >LEU~F 148 96.98 -51.00 101.00 97.18 -52.74 102.31 97.08 -51.87 101.66 3 0 10.30 -999 ? O2 PO4 F 502 >SER~F 149 96.04 -47.48 103.51 98.35 -46.68 103.47 97.19 -47.08 103.49 2 0 10.77 -999 ? O3 PO4 E 504 >GLU~F 150 91.42 -44.00 101.51 91.06 -42.93 99.74 91.24 -43.46 100.63 2 0 13.38 -999 ? O4 PO4 F 502 >VAL~F 151 90.98 -49.22 102.46 90.79 -50.88 101.06 90.88 -50.05 101.76 3 0 13.34 -999 ? O3 PO4 E 504 >LEU~F 152 93.65 -50.31 106.42 94.90 -52.02 105.94 94.28 -51.16 106.18 3 0 10.06 -999 ? O3 PO4 E 504 >VAL~F 153 91.00 -46.79 107.34 91.65 -44.71 107.47 91.32 -45.75 107.40 3 0 6.66 -999 ? O3 PO4 E 504 >LEU~F 154 87.52 -47.12 104.01 87.30 -45.30 102.86 87.41 -46.21 103.44 3 0 12.06 -999 ? O3 PO4 E 504 >LEU~F 155 87.66 -51.82 106.44 87.08 -53.11 104.77 87.37 -52.47 105.60 3 0 13.36 -999 ? O3 PO4 E 504 >GLN~F 156 90.14 -48.92 112.01 91.77 -47.60 112.35 90.96 -48.26 112.18 2 0 4.62 -999 ? O3 PO4 E 504 >THR~F 157 86.18 -46.94 110.75 87.29 -45.22 110.04 86.74 -46.08 110.40 2 0 7.76 -999 ? O3 PO4 E 504 >GLU.F 158 82.88 -50.20 110.86 81.80 -50.53 112.65 82.34 -50.36 111.75 2 0 14.22 -999 ? O3 PO4 E 504 >LYS.F 159 82.83 -45.94 106.25 82.67 -41.83 109.50 82.75 -43.88 107.87 2 0 11.95 -999 ? O4 PO4 E 504 >VAL.F 160 81.95 -48.69 103.77 83.25 -49.44 102.15 82.60 -49.06 102.96 3 0 13.03 -999 ? O2 PO4 E 509 >HIS.F 161 80.20 -52.93 101.46 80.94 -52.90 99.50 80.57 -52.91 100.48 3 0 11.15 -999 ? O2 PO4 E 509 >ARG.F 162 84.33 -54.05 107.89 83.79 -54.04 110.92 84.06 -54.05 109.40 2 0 14.84 -999 ? O3 PO4 E 504 >PHE.F 163 85.53 -55.01 100.91 86.88 -52.53 100.68 86.21 -53.77 100.80 3 0 15.55 -999 ? O2 PO4 E 509 >PRO.F 164 86.35 -60.81 101.70 87.28 -58.90 102.42 86.82 -59.85 102.06 3 0 19.79 -999 ? O2 PO4 E 509 >VAL^F 165 91.34 -57.65 101.78 91.78 -55.56 102.22 91.56 -56.60 102.00 3 0 15.83 -999 ? O2 PO4 F 502 >PHE^F 166 92.60 -61.58 99.87 90.16 -62.91 100.25 91.38 -62.25 100.06 3 0 18.55 -999 ? O2 PO4 F 502 >LEU^F 167 98.67 -58.35 101.37 98.24 -56.49 102.37 98.46 -57.42 101.87 3 0 12.76 -999 ? O2 PO4 F 502 >LEU^F 168 99.21 -61.35 96.25 98.10 -62.92 95.27 98.66 -62.13 95.76 3 0 14.03 -999 ? O2 PO4 F 502 >ASP~F 169 103.98 -61.15 97.18 106.05 -61.51 96.92 105.02 -61.33 97.05 2 0 13.80 -999 ? O2 PO4 F 502 >ARG~F 170 103.33 -65.93 103.13 100.92 -66.39 104.90 102.13 -66.16 104.01 2 0 21.15 -999 ? O2 PO4 F 502 >GLY~F 171 108.09 -61.65 101.39 107.43 -61.20 101.18 107.76 -61.42 101.29 1 0 16.33 -999 ? O2 PO4 F 502 >TYR~F 172 106.63 -56.96 97.67 106.92 -54.47 96.44 106.77 -55.71 97.06 3 0 9.15 -999 ? O2 PO4 F 502 >TRP~F 173 102.14 -58.13 99.93 100.99 -54.39 99.60 101.57 -56.26 99.77 3 0 9.94 -999 ? O2 PO4 F 502 >GLU~F 174 109.03 -59.11 106.02 108.54 -60.68 107.32 108.79 -59.89 106.67 2 0 19.50 -999 ? O2 PO4 F 502 >GLY~F 175 108.18 -55.10 106.31 107.43 -55.30 106.17 107.80 -55.20 106.24 1 0 15.70 -999 ? O2 PO4 F 502 >LEU~F 176 104.04 -53.00 104.97 102.30 -51.72 105.08 103.17 -52.36 105.02 3 0 12.35 -999 ? O2 PO4 F 502 >VAL~F 177 102.92 -56.03 107.95 101.96 -57.95 107.51 102.44 -56.99 107.73 3 0 16.37 -999 ? O3 PO4 E 504 >ARG~F 178 108.59 -58.45 110.33 110.52 -60.82 110.44 109.56 -59.63 110.38 2 0 22.58 -999 ? O2 PO4 F 502 >TRP~F 179 106.88 -49.46 111.40 104.09 -46.92 110.26 105.48 -48.19 110.83 3 0 11.15 -999 ? O1 PO4 E 504 >LEU~F 180 100.75 -53.16 110.45 100.09 -52.05 108.73 100.42 -52.61 109.59 3 0 11.26 -999 ? O3 PO4 E 504 >ALA~F 181 102.21 -55.22 114.19 103.06 -56.47 114.04 102.64 -55.85 114.12 2 0 15.43 -999 ? O3 PO4 E 504 >PHE~F 182 106.12 -50.69 115.83 107.04 -48.34 117.07 106.58 -49.51 116.45 3 0 12.99 -999 ? O1 PO4 E 504 >LEU~F 183 100.96 -49.55 114.28 101.73 -48.01 112.97 101.34 -48.78 113.63 3 0 8.21 -999 ? O1 PO4 E 504 >ARG~F 184 97.96 -55.99 117.39 99.97 -58.21 116.71 98.97 -57.10 117.05 2 0 15.91 -999 ? O3 PO4 E 504 >ASP~F 185 103.58 -53.35 119.84 103.85 -55.33 119.12 103.72 -54.34 119.48 2 0 16.02 -999 ? O2 PO4 E 504 >GLN~F 186 104.20 -48.37 119.18 105.29 -47.64 120.84 104.74 -48.01 120.01 2 0 12.86 -999 ? O2 PO4 E 504 >LYS.F 187 98.37 -49.15 120.68 97.85 -52.07 124.85 98.11 -50.61 122.77 2 0 13.86 -999 ? O2 PO4 E 504 >ALA.F 188 97.97 -46.84 117.68 99.05 -46.48 116.68 98.51 -46.66 117.18 2 0 5.85 -999 ? O2 PO4 E 504 >VAL.F 189 95.58 -49.43 116.24 96.77 -50.40 114.69 96.18 -49.92 115.47 3 0 6.84 -999 ? O3 PO4 E 504 >GLY.F 190 92.91 -51.66 117.74 93.53 -51.92 117.32 93.22 -51.79 117.53 1 0 9.27 -999 ? O3 PO4 E 504 >PRO.F 191 92.31 -54.48 120.90 93.23 -54.56 118.88 92.77 -54.52 119.89 3 0 12.82 -999 ? O3 PO4 E 504 >GLU~F 192 89.40 -56.81 116.28 87.98 -57.93 117.36 88.69 -57.37 116.82 2 0 16.08 -999 ? O3 PO4 E 504 >ASP~F 193 92.94 -52.63 113.48 91.43 -51.53 114.46 92.18 -52.08 113.97 2 0 8.38 -999 ? O3 PO4 E 504 >LEU~F 194 96.58 -56.57 112.28 98.13 -55.10 112.67 97.35 -55.83 112.48 3 0 12.42 -999 ? O3 PO4 E 504 >GLN~F 195 92.47 -60.14 113.16 91.49 -60.38 115.03 91.98 -60.26 114.10 2 0 16.94 -999 ? O3 PO4 E 504 >LEU.F 196 91.27 -55.00 108.34 89.70 -54.19 109.60 90.49 -54.59 108.97 3 0 12.15 -999 ? O3 PO4 E 504 >PHE^F 197 95.84 -56.89 106.24 97.96 -56.61 108.05 96.90 -56.75 107.14 3 0 14.46 -999 ? O3 PO4 E 504 >ARG^F 198 92.37 -64.43 104.71 89.34 -64.27 104.22 90.86 -64.35 104.46 2 0 22.83 -999 ? O3 PO4 E 504 >LEU^F 199 99.51 -62.36 104.49 101.08 -60.90 104.19 100.29 -61.63 104.34 3 0 17.08 -999 ? O2 PO4 F 502 >THR^F 200 98.75 -65.16 100.89 97.20 -65.63 99.47 97.97 -65.39 100.18 2 0 18.64 -999 ? O2 PO4 F 502 >ASP.F 201 102.39 -67.01 98.45 103.83 -65.85 99.46 103.11 -66.43 98.96 2 0 18.23 -999 ? O2 PO4 F 502 >GLU~F 202 99.39 -70.28 96.56 100.35 -70.58 94.69 99.87 -70.43 95.63 2 0 21.92 -999 ? O2 PO4 F 502 >PRO~F 203 97.78 -65.76 92.33 96.56 -66.65 93.97 97.17 -66.21 93.15 3 0 18.13 -999 ? O2 PO4 F 502 >GLU~F 204 93.39 -71.99 93.64 93.58 -73.82 94.72 93.48 -72.91 94.18 2 0 26.51 -999 ? O2 PO4 F 502 >GLU~F 205 95.87 -69.91 98.76 97.24 -69.88 100.36 96.56 -69.89 99.56 2 0 22.80 -999 ? O2 PO4 F 502 >VAL~F 206 92.19 -65.60 97.11 93.04 -63.69 96.52 92.62 -64.65 96.82 3 0 18.86 -999 ? O2 PO4 F 502 >VAL~F 207 89.57 -67.01 94.76 89.56 -67.40 92.63 89.57 -67.20 93.69 3 0 22.33 -999 ? O2 PO4 F 502 >GLN~F 208 90.24 -71.75 96.74 90.39 -73.76 97.47 90.31 -72.76 97.10 2 0 27.94 -999 ? O2 PO4 F 502 >ALA~F 209 88.22 -67.32 100.00 89.29 -66.35 100.50 88.76 -66.83 100.25 2 0 22.96 -999 ? O2 PO4 F 502 >LEU~F 210 86.36 -64.26 96.68 87.40 -62.38 96.73 86.88 -63.32 96.71 3 0 20.57 -999 ? O2 PO4 E 509 >LYS~F 211 83.83 -67.89 96.58 84.15 -71.72 94.31 83.99 -69.80 95.44 2 0 26.21 -999 ? O2 PO4 E 509 >ALA~F 212 83.32 -68.98 100.18 84.46 -69.47 101.07 83.89 -69.22 100.63 2 0 25.53 -999 ? O2 PO4 E 509 >GLU.F 213 83.82 -65.05 101.71 85.22 -63.49 101.82 84.52 -64.27 101.76 2 0 21.28 -999 ? O2 PO4 E 509