REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JAN-10 3LMM COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; SOURCE 3 ORGANISM_TAXID: 1717; SOURCE 4 STRAIN: NCTC13129; SOURCE 5 GENE: DIP2311; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C AUTHOR F.FOROUHAR,S.LEW,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI, AUTHOR 2 W.A.BUCHWALD,M.MAGLAQUI,J.K.EVERETT,R.NAIR,T.B.ACTON, AUTHOR 3 B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 75 8 HET MSE A 177 8 HET MSE A 305 8 HET MSE A 309 8 HET MSE A 379 8 HET MSE A 383 8 HET MSE B 75 8 HET MSE B 177 8 HET MSE B 305 8 HET MSE B 309 8 HET MSE B 379 8 HET MSE B 383 8 HET MSE B 522 8 HET MSE B 537 8 HET MSE B 539 8 HET MSE C 75 8 HET MSE C 177 8 HET MSE C 305 8 HET MSE C 309 8 HET MSE C 379 8 HET MSE C 383 8 HET MSE D 75 8 HET MSE D 177 8 HET MSE D 305 8 HET MSE D 309 8 HET MSE D 379 8 HET MSE D 383 8 HET MSE D 522 8 HET MSE D 537 8 HET MSE D 539 8 HET CO A 601 1 HET CL A 584 1 HET CL A 585 1 HET CL A 586 1 HET CO B 601 1 HET CL B 584 1 HET CO C 601 1 HET CL C 584 1 HET CO D 601 1 HET CL D 584 1 SSBOND 1 CYS A 74 CYS A 156 1555 1555 2.04 SSBOND 2 CYS B 74 CYS B 156 1555 1555 2.03 SSBOND 3 CYS C 74 CYS C 156 1555 1555 2.04 SSBOND 4 CYS D 74 CYS D 156 1555 1555 2.03 SITE 1 AC1 4 ASP A 41 PHE A 42 ASP A 90 ASP A 154 SITE 1 AC2 4 MSE A 177 TYR A 356 PRO A 357 ALA A 358 SITE 1 AC3 1 ALA A 358 SITE 1 AC4 2 ASN A 279 ARG A 298 SITE 1 AC5 4 ASP B 41 PHE B 42 ASP B 90 ASP B 154 SITE 1 AC6 4 MSE B 177 TYR B 356 PRO B 357 ALA B 358 SITE 1 AC7 4 ASP C 41 PHE C 42 ASP C 90 ASP C 154 SITE 1 AC8 5 ASP C 175 PRO C 176 MSE C 177 PRO C 357 SITE 1 AC9 4 ASP D 41 PHE D 42 ASP D 90 ASP D 154 SITE 1 BC1 5 ASP D 175 MSE D 177 TYR D 356 PRO D 357 >GLU~A 9 -67.24 46.26 80.02 -68.31 47.88 79.17 -67.77 47.07 79.60 2 0 18.47 -999 ? CL CL A 584 >GLY~A 10 -71.87 47.68 81.31 -71.57 46.99 80.96 -71.72 47.33 81.14 1 0 22.33 -999 ? CL CL A 584 >ARG~A 11 -72.85 43.36 76.08 -74.43 42.09 73.79 -73.64 42.72 74.93 2 0 15.76 -999 ? CO CO A 601 >ARG~A 12 -72.59 39.88 83.61 -70.12 38.67 82.24 -71.36 39.27 82.93 2 0 18.28 -999 ? CO CO A 601 >GLU~A 13 -74.75 46.19 84.98 -74.83 48.22 85.61 -74.79 47.20 85.30 2 0 25.53 -999 ? CO CO A 601 >GLN~A 14 -77.66 44.79 77.39 -76.88 45.68 75.57 -77.27 45.24 76.48 2 0 18.87 -999 ? CO CO A 601 >LEU~A 15 -75.75 40.11 79.61 -74.86 39.58 77.71 -75.30 39.85 78.66 3 0 14.96 -999 ? CO CO A 601 >ILE~A 16 -77.74 40.56 84.55 -77.00 40.43 85.75 -77.37 40.50 85.15 3 0 18.95 -999 ? CO CO A 601 >ALA~A 17 -81.29 42.26 82.53 -81.19 43.69 82.01 -81.24 42.97 82.27 2 0 19.29 -999 ? CO CO A 601 >GLN~A 18 -81.08 41.42 77.29 -79.63 41.18 75.76 -80.35 41.30 76.53 2 0 14.31 -999 ? CO CO A 601 >VAL~A 19 -82.10 37.12 81.29 -80.48 35.79 81.83 -81.29 36.45 81.56 3 0 13.46 -999 ? CO CO A 601 >GLU~A 20 -82.74 39.71 85.68 -82.90 38.50 87.41 -82.82 39.11 86.55 2 0 19.48 -999 ? CO CO A 601 >SER~A 21 -86.75 39.57 81.40 -87.30 40.30 79.14 -87.03 39.94 80.27 2 0 16.59 -999 ? CO CO A 601 >ILE~A 22 -85.70 35.38 79.10 -86.07 34.98 77.72 -85.88 35.18 78.41 3 0 11.86 -999 ? CO CO A 601 >LEU~A 23 -86.40 34.51 84.13 -84.81 33.05 84.17 -85.61 33.78 84.15 3 0 15.12 -999 ? CO CO A 601 >ALA~A 24 -90.21 37.03 83.99 -90.06 38.55 84.06 -90.13 37.79 84.03 2 0 19.48 -999 ? CO CO A 601 >SER~A 25 -92.37 35.87 81.05 -91.00 34.90 79.28 -91.68 35.38 80.16 2 0 15.36 -999 ? CO CO A 601 >ALA.A 26 -92.47 32.46 82.73 -91.71 32.14 83.99 -92.09 32.30 83.36 2 0 17.70 -999 ? CO CO A 601 >ALA.A 27 -95.93 30.93 82.36 -96.76 32.14 82.02 -96.34 31.53 82.19 2 0 20.32 -999 ? CO CO A 601 >ASP.A 28 -98.03 28.17 79.74 -99.74 29.42 79.99 -98.88 28.79 79.87 2 0 21.58 -999 ? CO CO A 601 >GLY.A 29 -94.24 25.73 81.58 -94.25 26.41 81.19 -94.24 26.07 81.38 1 0 17.51 -999 ? CO CO A 601 >ARG.A 30 -93.98 28.48 75.61 -95.39 29.82 73.25 -94.68 29.15 74.43 2 0 15.71 -999 ? CO CO A 601 >VAL.A 31 -90.68 31.20 78.57 -88.84 30.81 79.60 -89.76 31.00 79.09 3 0 12.83 -999 ? CO CO A 601 >GLN.A 32 -93.20 33.12 75.22 -95.14 33.98 74.93 -94.17 33.55 75.08 2 0 16.86 -999 ? CO CO A 601 >LYS.A 33 -88.35 36.09 74.04 -83.58 32.54 71.76 -85.97 34.32 72.90 2 0 6.24 -999 ? CO CO A 601 >THR~A 34 -88.73 39.65 72.74 -89.37 40.44 74.64 -89.05 40.04 73.69 2 0 16.31 -999 ? CO CO A 601 >LYS~A 35 -86.75 41.71 70.25 -86.14 46.80 66.54 -86.45 44.25 68.40 2 0 20.91 -999 ? CO CO A 601 >GLU~A 36 -85.46 45.19 74.03 -83.72 46.28 73.48 -84.59 45.74 73.75 2 0 19.27 -999 ? CO CO A 601 >THR~A 37 -83.92 39.50 74.63 -85.26 39.54 76.29 -84.59 39.52 75.46 2 0 13.98 -999 ? CO CO A 601 >GLN~A 38 -84.07 37.23 68.81 -84.38 38.27 66.96 -84.22 37.75 67.88 2 0 12.56 -999 ? CO CO A 601 >SER.A 39 -80.18 36.70 71.47 -79.20 38.29 69.96 -79.69 37.50 70.72 2 0 10.96 -999 ? CO CO A 601 >VAL.A 40 -80.22 34.89 74.77 -80.98 35.37 76.74 -80.60 35.13 75.76 3 0 8.72 -999 ? CO CO A 601 >ASP^A 41 -77.56 30.98 74.10 -77.11 29.38 72.77 -77.33 30.18 73.44 2 0 -3.60 -999 ? CO CO A 601s >PHE^A 42 -83.89 29.75 75.31 -85.48 31.92 76.07 -84.68 30.83 75.69 3 0 -7.09 -999 ? CO CO A 601s >LYS^A 43 -79.85 25.38 76.03 -76.63 23.95 72.23 -78.24 24.67 74.13 2 0 4.88 -999 ? CO CO A 601 >GLU.A 44 -82.60 20.15 77.19 -83.99 19.21 75.96 -83.30 19.68 76.57 2 0 10.18 -999 ? CO CO A 601 >GLU.A 45 -77.77 18.68 81.54 -77.94 18.37 83.63 -77.86 18.52 82.59 2 0 15.21 -999 ? CO CO A 601 >ALA.A 46 -77.82 17.28 76.98 -76.70 17.39 75.95 -77.26 17.33 76.46 2 0 11.45 -999 ? CO CO A 601 >GLY.A 47 -77.97 13.56 77.67 -78.58 14.05 77.86 -78.28 13.81 77.76 1 0 15.30 -999 ? CO CO A 601 >ARG.A 48 -80.61 15.18 82.69 -82.49 17.34 83.83 -81.55 16.26 83.26 2 0 16.08 -999 ? CO CO A 601 >ARG.A 49 -86.17 14.86 75.49 -87.29 17.50 76.53 -86.73 16.18 76.01 2 0 13.33 -999 ? CO CO A 601 >ASN.A 50 -85.59 9.13 77.41 -86.13 7.10 77.04 -85.86 8.11 77.23 2 0 21.98 -999 ? CO CO A 601 >GLY.A 51 -88.08 11.07 73.88 -88.18 11.21 74.69 -88.13 11.14 74.29 1 0 18.46 -999 ? CO CO A 601 >PRO.A 52 -90.73 8.38 76.08 -90.72 10.53 75.46 -90.73 9.45 75.77 3 0 21.42 -999 ? CO CO A 601 >GLN.A 53 -89.33 8.92 80.17 -89.99 7.38 81.50 -89.66 8.15 80.84 2 0 24.55 -999 ? CO CO A 601 >ILE.A 54 -86.86 14.81 80.29 -86.97 15.49 80.86 -86.92 15.15 80.57 3 0 16.76 -999 ? CO CO A 601 >GLU.A 55 -83.61 9.75 81.94 -85.19 8.46 82.57 -84.40 9.11 82.25 2 0 22.56 -999 ? CO CO A 601 >PRO.A 56 -83.75 11.59 87.42 -83.95 13.19 85.89 -83.85 12.39 86.66 3 0 21.66 -999 ? CO CO A 601 >GLY.A 57 -80.69 15.87 86.41 -80.94 15.47 87.08 -80.82 15.67 86.74 1 0 18.82 -999 ? CO CO A 601 >LYS.A 58 -77.59 15.02 88.44 -79.28 9.98 90.05 -78.44 12.50 89.25 2 0 25.42 -999 ? CO CO A 601 >PRO.A 59 -74.51 15.71 91.53 -75.45 16.84 89.85 -74.98 16.27 90.69 3 0 22.67 -999 ? CO CO A 601 >GLU.A 60 -70.42 16.22 89.19 -68.91 15.06 90.09 -69.66 15.64 89.64 2 0 24.85 -999 ? CO CO A 601 >ASN~A 61 -73.95 15.70 83.43 -74.50 14.89 81.55 -74.23 15.30 82.49 2 0 16.93 -999 ? CO CO A 601 >PRO~A 62 -69.31 12.96 82.21 -69.92 15.07 82.10 -69.62 14.01 82.15 3 0 19.97 -999 ? CO CO A 601 >GLU~A 63 -73.05 13.66 76.69 -74.83 12.52 76.48 -73.94 13.09 76.58 2 0 16.53 -999 ? CO CO A 601 >ALA~A 64 -73.43 17.86 79.15 -74.40 18.05 80.31 -73.91 17.95 79.73 2 0 13.97 -999 ? CO CO A 601 >ALA~A 65 -70.25 19.71 80.11 -69.22 19.21 81.09 -69.74 19.46 80.60 2 0 16.52 -999 ? CO CO A 601 >ASP~A 66 -68.74 17.59 75.99 -66.91 16.58 76.36 -67.82 17.08 76.18 2 0 17.64 -999 ? CO CO A 601 >LYS~A 67 -71.78 20.37 74.71 -72.12 16.92 71.33 -71.95 18.65 73.02 2 0 13.14 -999 ? CO CO A 601 >LEU~A 68 -72.38 23.32 78.53 -74.43 23.35 79.18 -73.40 23.33 78.85 3 0 10.60 -999 ? CO CO A 601 >ALA~A 69 -68.36 24.17 76.85 -67.22 23.22 77.20 -67.79 23.69 77.03 2 0 14.53 -999 ? CO CO A 601 >ASP~A 70 -69.10 22.89 72.19 -67.53 21.57 71.69 -68.31 22.23 71.94 2 0 13.75 -999 ? CO CO A 601 >GLU~A 71 -73.99 27.20 73.37 -74.68 26.74 71.40 -74.34 26.97 72.38 2 0 5.31 -999 ? CO CO A 601 >VAL~A 72 -69.59 28.87 75.46 -69.14 28.93 77.58 -69.37 28.90 76.52 3 0 11.74 -999 ? CO CO A 601 >ALA~A 73 -66.79 28.93 72.92 -65.97 27.76 72.40 -66.38 28.35 72.66 2 0 13.99 -999 ? CO CO A 601 >CSS~A 74 -69.34 29.99 70.25 -70.79 28.34 68.54 -70.06 29.17 69.40 2 0 9.69 -999 ? CO CO A 601 >MET?A 75 -70.42 32.83 72.41 -73.43 34.09 73.02 -71.92 33.46 72.71 2 0 9.38 -999 ? CO CO A 601 >ALA~A 76 -67.06 34.01 73.68 -66.11 33.17 74.54 -66.59 33.59 74.11 2 0 15.23 -999 ? CO CO A 601 >ASN~A 77 -65.87 32.69 69.15 -64.40 31.29 69.73 -65.14 31.99 69.44 2 0 13.83 -999 ? CL CL A 585 >THR~A 78 -68.68 36.17 68.75 -70.68 35.65 69.31 -69.68 35.91 69.03 2 0 12.56 -999 ? CO CO A 601 >PRO.A 79 -68.62 40.33 67.28 -68.18 39.21 69.15 -68.40 39.77 68.21 3 0 16.06 -999 ? CL CL A 585 >GLY.A 80 -70.06 41.17 72.47 -69.74 40.40 72.47 -69.90 40.79 72.47 1 0 16.90 -999 ? CO CO A 601 >GLY.A 81 -70.27 37.73 73.98 -70.85 38.25 73.62 -70.56 37.99 73.80 1 0 14.29 -999 ? CO CO A 601 >GLY^A 82 -73.68 36.82 75.32 -73.13 36.48 75.84 -73.40 36.65 75.58 1 0 11.83 -999 ? CO CO A 601 >ALA^A 83 -75.71 34.86 77.85 -76.60 35.70 78.75 -76.16 35.28 78.30 2 0 11.38 -999 ? CO CO A 601 >LEU^A 84 -75.84 30.20 77.99 -74.42 30.08 76.45 -75.13 30.14 77.22 3 0 7.84 -999 ? CO CO A 601 >ILE^A 85 -81.17 30.43 80.03 -82.17 31.34 80.72 -81.67 30.89 80.38 3 0 9.55 -999 ? CO CO A 601 >VAL^A 86 -79.13 26.15 80.67 -77.44 24.86 81.01 -78.28 25.50 80.84 3 0 9.57 -999 ? CO CO A 601 >GLY.A 87 -82.32 24.32 81.45 -82.35 24.79 80.77 -82.34 24.56 81.11 1 0 10.60 -999 ? CO CO A 601 >ILE.A 88 -84.64 27.36 78.63 -85.01 27.79 79.29 -84.83 27.58 78.96 3 0 8.82 -999 ? CO CO A 601 >GLU.A 89 -86.89 22.23 74.17 -88.69 21.11 73.99 -87.79 21.67 74.08 2 0 11.08 -999 ? CO CO A 601 >ASP.A 90 -83.21 24.91 71.61 -82.71 26.23 70.08 -82.96 25.57 70.84 2 0 -3.41 -999 ? CO CO A 601s >LYS.A 91 -86.73 27.42 70.25 -83.45 26.93 65.96 -85.09 27.17 68.11 2 0 6.68 -999 ? CO CO A 601 >THR.A 92 -89.79 26.37 72.24 -89.66 24.27 72.62 -89.73 25.32 72.43 2 0 10.29 -999 ? CO CO A 601 >GLY.A 93 -88.68 27.81 75.55 -89.00 27.04 75.54 -88.84 27.42 75.55 1 0 9.59 -999 ? CO CO A 601 >ARG.A 94 -92.00 22.34 75.63 -93.83 21.10 73.52 -92.91 21.72 74.57 2 0 15.40 -999 ? CO CO A 601 >ILE.A 95 -89.09 25.51 82.44 -89.28 26.39 82.81 -89.19 25.95 82.62 3 0 14.45 -999 ? CO CO A 601 >ILE.A 96 -85.66 21.01 80.67 -86.51 20.16 79.91 -86.09 20.59 80.29 3 0 12.67 -999 ? CO CO A 601 >GLY.A 97 -84.15 22.53 84.45 -83.87 22.12 83.82 -84.01 22.33 84.14 1 0 14.39 -999 ? CO CO A 601 >THR.A 98 -80.75 21.33 85.58 -79.11 22.47 84.76 -79.93 21.90 85.17 2 0 14.09 -999 ? CO CO A 601 >GLU.A 99 -81.10 18.77 89.30 -82.29 20.21 90.30 -81.69 19.49 89.80 2 0 20.18 -999 ? CO CO A 601 >LEU.A 100 -75.13 21.11 86.16 -75.04 19.96 84.33 -75.09 20.54 85.24 3 0 16.04 -999 ? CO CO A 601 >ASP~A 101 -72.27 21.01 91.13 -71.32 22.10 92.66 -71.80 21.55 91.90 2 0 23.37 -999 ? CO CO A 601 >ILE~A 102 -72.29 26.64 90.41 -73.03 27.59 89.49 -72.66 27.11 89.95 3 0 19.72 -999 ? CO CO A 601 >ASP~A 103 -67.95 24.59 92.14 -68.24 26.23 93.44 -68.09 25.41 92.79 2 0 24.79 -999 ? CO CO A 601 >TRP~A 104 -67.97 18.24 88.47 -69.75 18.26 84.98 -68.86 18.25 86.72 3 0 20.88 -999 ? CO CO A 601 >LEU~A 105 -70.99 23.45 85.40 -71.87 23.69 83.43 -71.43 23.57 84.41 3 0 15.85 -999 ? CO CO A 601 >ARG~A 106 -68.15 29.42 87.94 -65.63 31.11 87.49 -66.89 30.27 87.71 2 0 21.67 -999 ? CO CO A 601 >GLN~A 107 -62.81 22.39 87.67 -60.91 23.35 87.57 -61.86 22.87 87.62 2 0 25.17 -999 ? CO CO A 601 >GLY~A 108 -65.36 21.59 83.94 -65.27 22.40 83.82 -65.31 22.00 83.88 1 0 19.98 -999 ? CO CO A 601 >ILE~A 109 -66.89 25.28 81.10 -68.01 25.90 80.56 -67.45 25.59 80.83 3 0 15.63 -999 ? CO CO A 601 >PHE~A 110 -60.93 27.06 83.57 -58.38 28.18 83.76 -59.65 27.62 83.67 3 0 19.33 -999 ? CL CL A 584 >THR~A 111 -60.70 22.63 81.74 -60.29 20.90 82.98 -60.50 21.76 82.36 2 0 23.63 -999 ? CO CO A 601 >ARG~A 112 -64.89 20.63 79.44 -65.97 18.07 80.81 -65.43 19.35 80.12 2 0 19.18 -999 ? CO CO A 601 >ILE~A 113 -63.76 25.84 76.75 -64.71 27.03 76.85 -64.24 26.44 76.80 3 0 16.57 -999 ? CO CO A 601 >ASP~A 114 -58.81 27.82 77.58 -56.85 27.31 78.14 -57.83 27.57 77.86 2 0 15.91 -999 ? CL CL A 584 >VAL.A 115 -62.44 29.94 79.97 -63.88 30.40 78.41 -63.16 30.17 79.19 3 0 17.00 -999 ? CL CL A 584 >ALA.A 116 -64.43 30.15 83.19 -63.64 30.17 84.49 -64.03 30.16 83.84 2 0 20.06 -999 ? CL CL A 584 >PRO.A 117 -68.44 29.88 81.48 -67.20 31.44 82.46 -67.82 30.66 81.97 3 0 16.25 -999 ? CO CO A 601 >ASP^A 118 -70.10 34.94 85.40 -68.40 35.86 86.29 -69.25 35.40 85.84 2 0 20.46 -999 ? CO CO A 601 >VAL^A 119 -72.75 31.01 85.85 -72.57 28.85 86.21 -72.66 29.93 86.03 3 0 16.33 -999 ? CO CO A 601 >VAL^A 120 -75.57 31.80 88.29 -75.75 33.96 87.99 -75.66 32.88 88.14 3 0 17.90 -999 ? CO CO A 601 >ALA^A 121 -78.53 29.68 89.38 -78.54 28.81 90.62 -78.54 29.24 90.00 2 0 19.09 -999 ? CO CO A 601 >LYS^A 122 -82.09 30.91 88.94 -80.91 36.17 88.84 -81.50 33.54 88.89 2 0 19.31 -999 ? CO CO A 601 >ARG^A 123 -85.55 27.19 91.98 -84.84 24.33 92.86 -85.19 25.76 92.42 2 0 22.03 -999 ? CO CO A 601 >VAL.A 124 -88.36 29.89 86.99 -87.66 29.07 85.18 -88.01 29.48 86.09 3 0 16.69 -999 ? CO CO A 601 >LEU.A 125 -92.46 27.37 86.40 -93.17 28.35 84.62 -92.82 27.86 85.51 3 0 18.94 -999 ? CO CO A 601 >GLY.A 126 -90.00 26.36 90.52 -89.58 26.40 89.77 -89.79 26.38 90.14 1 0 21.44 -999 ? CO CO A 601 >GLN.A 127 -88.91 23.35 86.59 -88.59 21.47 87.52 -88.75 22.41 87.06 2 0 19.08 -999 ? CO CO A 601 >ARG^A 128 -80.63 24.69 90.64 -77.59 24.42 90.12 -79.11 24.55 90.38 2 0 18.90 -999 ? CO CO A 601 >VAL^A 129 -81.77 26.90 85.69 -83.38 27.98 84.73 -82.58 27.44 85.21 3 0 13.84 -999 ? CO CO A 601 >LEU^A 130 -77.05 27.13 84.96 -77.10 25.99 86.76 -77.08 26.56 85.86 3 0 14.55 -999 ? CO CO A 601 >ALA^A 131 -77.59 31.54 83.71 -78.10 32.80 84.36 -77.84 32.17 84.04 2 0 13.93 -999 ? CO CO A 601 >ILE^A 132 -73.66 30.31 81.30 -72.82 29.15 81.23 -73.24 29.73 81.27 3 0 11.96 -999 ? CO CO A 601 >TYR^A 133 -74.13 36.27 82.68 -76.78 36.60 83.56 -75.45 36.43 83.12 3 0 15.25 -999 ? CO CO A 601 >VAL^A 134 -69.80 34.59 78.74 -70.01 33.26 76.99 -69.90 33.93 77.86 3 0 13.46 -999 ? CO CO A 601 >ALA.A 135 -67.70 37.64 77.79 -66.81 38.33 78.81 -67.25 37.99 78.30 2 0 16.07 -999 ? CL CL A 584 >ALA.A 136 -66.07 38.27 74.42 -66.16 39.56 73.64 -66.11 38.92 74.03 2 0 13.84 -999 ? CL CL A 584 >ALA.A 137 -62.71 36.49 74.22 -62.53 35.10 73.62 -62.62 35.80 73.92 2 0 11.91 -999 ? CL CL A 584 >ALA.A 138 -59.59 38.53 73.57 -58.58 38.98 74.63 -59.09 38.75 74.10 2 0 6.99 -999 ? CL CL A 584 >GLU.A 139 -57.12 34.45 72.74 -55.17 33.94 73.31 -56.14 34.20 73.02 2 0 7.99 -999 ? CL CL A 584 >PRO.A 140 -58.49 32.99 67.82 -59.87 33.44 69.51 -59.18 33.21 68.67 3 0 8.35 -999 ? CL CL A 585 >ILE.A 141 -62.54 30.41 72.78 -61.66 30.63 73.85 -62.10 30.52 73.31 3 0 14.13 -999 ? CL CL A 585 >GLU.A 142 -59.55 26.58 68.26 -57.44 26.50 68.06 -58.50 26.54 68.16 2 0 12.09 -999 ? CL CL A 585 >ASP.A 143 -65.31 23.98 70.69 -65.35 23.11 68.78 -65.33 23.54 69.73 2 0 15.49 -999 ? CO CO A 601 >THR.A 144 -63.53 20.52 72.40 -65.38 19.97 73.31 -64.46 20.24 72.85 2 0 16.47 -999 ? CO CO A 601 >SER.A 145 -63.21 19.42 68.77 -65.42 18.39 68.67 -64.31 18.91 68.72 2 0 17.38 -999 ? CO CO A 601 >ASP.A 146 -59.43 21.39 67.43 -57.86 21.30 68.83 -58.64 21.35 68.13 2 0 17.16 -999 ? CL CL A 585 >ARG.A 147 -65.99 21.62 65.27 -68.75 21.31 66.61 -67.37 21.46 65.94 2 0 13.73 -999 ? CO CO A 601 >LEU.A 148 -62.30 28.70 65.48 -61.90 30.75 65.95 -62.10 29.73 65.71 3 0 11.95 -999 ? CL CL A 585 >ARG^A 149 -68.18 25.41 65.26 -70.25 23.95 63.52 -69.21 24.68 64.39 2 0 13.12 -999 ? CO CO A 601 >TRP^A 150 -69.30 33.06 63.83 -67.50 36.48 63.10 -68.40 34.77 63.46 3 0 15.82 -999 ? CL CL A 585 >ARG^A 151 -75.26 31.49 69.02 -77.93 32.54 70.15 -76.60 32.01 69.58 2 0 5.63 -999 ? CO CO A 601 >VAL.A 152 -75.05 33.74 64.17 -74.48 33.47 62.08 -74.76 33.61 63.12 3 0 11.68 -999 ? CO CO A 601 >GLY.A 153 -78.80 33.35 64.34 -78.17 32.95 64.87 -78.49 33.15 64.60 1 0 9.42 -999 ? CO CO A 601 >ASP.A 154 -81.25 30.40 67.21 -81.40 29.15 68.87 -81.32 29.77 68.04 2 0 -3.53 -999 ? CO CO A 601s >SER.A 155 -77.24 28.60 65.83 -77.56 28.41 63.47 -77.40 28.51 64.65 2 0 8.54 -999 ? CO CO A 601 >CSS^A 156 -73.55 29.07 65.38 -72.75 28.15 67.98 -73.15 28.61 66.68 2 0 8.09 -999 ? CO CO A 601 >ARG^A 157 -74.00 30.36 60.25 -73.82 30.35 57.18 -73.91 30.35 58.71 2 0 15.95 -999 ? CO CO A 601 >PRO^A 158 -68.06 26.76 60.17 -68.34 28.22 61.82 -68.20 27.49 61.00 3 0 15.83 -999 ? CO CO A 601 >VAL.A 159 -65.25 31.15 60.94 -66.27 32.66 62.10 -65.76 31.91 61.52 3 0 14.40 -999 ? CL CL A 585 >ASP~A 160 -61.13 31.51 58.38 -61.85 33.18 57.27 -61.49 32.34 57.83 2 0 12.56 -999 ? CL CL A 585 >ARG~A 161 -56.10 31.73 63.71 -56.70 29.41 65.58 -56.40 30.57 64.64 2 0 8.77 -999 ? CL CL A 585 >ALA~A 162 -58.80 35.88 59.01 -58.75 35.44 57.56 -58.78 35.66 58.29 2 0 9.68 -999 ? CL CL A 585 >GLU~A 163 -64.84 37.12 58.46 -66.64 36.00 58.01 -65.74 36.56 58.24 2 0 15.51 -999 ? CL CL A 585 >TRP~A 164 -63.70 35.30 65.94 -61.06 36.93 68.35 -62.38 36.11 67.15 3 0 9.83 -999 ? CL CL A 585 >TRP~A 165 -57.38 36.64 64.25 -56.83 38.06 67.87 -57.10 37.35 66.06 3 0 4.38 -999 ? CL CL A 585 >GLU~A 166 -62.31 41.03 59.47 -62.88 41.36 57.45 -62.59 41.19 58.46 2 0 13.20 -999 ? CL CL A 585 >TYR~A 167 -66.09 40.83 62.19 -67.90 41.46 60.13 -66.99 41.15 61.16 3 0 15.16 -999 ? CL CL A 585 >GLN~A 168 -59.94 41.07 67.65 -59.94 42.24 69.44 -59.94 41.65 68.54 2 0 7.94 -999 ? CL CL A 584 >ARG~A 169 -57.51 43.67 63.09 -56.09 41.26 61.87 -56.80 42.46 62.48 2 0 6.02 -999 ? CL CL A 585 >ALA~A 170 -63.27 46.46 64.59 -64.08 46.04 63.40 -63.68 46.25 64.00 2 0 14.34 -999 ? CL CL A 585 >GLN~A 171 -67.39 44.21 66.13 -69.26 43.96 65.16 -68.32 44.08 65.65 2 0 17.72 -999 ? CL CL A 585 >SER~A 172 -63.98 44.62 70.36 -64.63 42.28 69.98 -64.30 43.45 70.17 2 0 12.33 -999 ? CL CL A 584 >GLY.A 173 -61.37 45.34 73.01 -61.28 45.19 72.20 -61.32 45.27 72.60 1 0 9.74 -999 ? CL CL A 584 >PHE.A 174 -56.21 48.39 71.65 -53.83 48.97 70.32 -55.02 48.68 70.99 3 0 7.80 -999 ? CL CL A 584 >ASP~A 175 -55.67 42.60 70.57 -56.90 41.35 71.73 -56.29 41.97 71.15 2 0 4.40 -999 ? CL CL A 584 >PRO~A 176 -51.73 45.18 73.04 -52.71 45.52 71.08 -52.22 45.35 72.06 3 0 3.98 -999 ? CL CL A 584 >MET?A 177 -50.43 42.91 69.10 -47.21 42.02 69.11 -48.82 42.46 69.10 2 0 -6.13 -999 ? CL CL A 584s >ALA~A 178 -53.35 42.73 66.64 -54.69 42.19 67.14 -54.02 42.46 66.89 2 0 5.50 -999 ? CL CL A 584 >GLN.A 179 -52.81 48.87 65.74 -51.77 50.39 66.80 -52.29 49.63 66.27 2 0 10.49 -999 ? CL CL A 584 >VAL^A 180 -52.52 47.23 61.90 -53.82 47.52 60.17 -53.17 47.38 61.03 3 0 10.87 -999 ? CL CL A 585 >THR^A 181 -48.99 48.24 60.92 -47.86 46.47 61.40 -48.42 47.35 61.16 2 0 11.08 -999 ? CL CL A 585 >THR^A 182 -47.42 49.67 57.75 -46.38 51.38 58.45 -46.90 50.52 58.10 2 0 16.86 -999 ? CL CL A 585 >ALA^A 183 -45.70 46.36 56.98 -45.21 45.42 58.05 -45.46 45.89 57.52 2 0 13.17 -999 ? CL CL A 585 >THR^A 184 -46.80 44.58 53.82 -46.62 46.28 52.50 -46.71 45.43 53.16 2 0 16.64 -999 ? CL CL A 585 >LEU.A 185 -47.19 40.56 51.11 -47.12 38.83 49.81 -47.16 39.69 50.46 3 0 15.82 -999 ? CL CL A 585 >GLY~A 186 -43.11 42.41 50.72 -43.28 42.38 51.51 -43.19 42.39 51.12 1 0 18.05 -999 ? CL CL A 585 >ASP~A 187 -42.23 43.76 55.24 -42.26 45.77 54.53 -42.24 44.77 54.88 2 0 17.16 -999 ? CL CL A 585 >ALA~A 188 -42.10 39.09 55.07 -43.37 38.31 54.81 -42.74 38.70 54.94 2 0 13.98 -999 ? CL CL A 585 >ARG~A 189 -36.61 38.43 57.78 -33.68 38.06 57.04 -35.14 38.25 57.41 2 0 20.79 -999 ? CL CL A 585 >PRO~A 190 -36.98 35.03 51.62 -38.72 34.74 52.95 -37.85 34.88 52.29 3 0 19.82 -999 ? CL CL A 585 >ALA~A 191 -36.74 32.35 55.35 -35.47 32.93 55.95 -36.11 32.64 55.65 2 0 20.08 -999 ? CL CL A 585 >ALA~A 192 -39.42 32.99 57.97 -39.87 34.37 58.40 -39.64 33.68 58.19 2 0 14.86 -999 ? CL CL A 585 >LEU~A 193 -42.52 32.40 54.32 -44.04 33.88 54.04 -43.28 33.14 54.18 3 0 15.04 -999 ? CL CL A 585 >ALA~A 194 -40.10 28.73 54.79 -38.67 28.75 54.30 -39.38 28.74 54.54 2 0 19.72 -999 ? CL CL A 585 >LEU~A 195 -39.33 28.97 59.53 -37.53 28.77 60.63 -38.43 28.87 60.08 3 0 16.08 -999 ? CL CL A 586 >ALA~A 196 -43.58 28.20 59.02 -44.42 29.41 58.69 -44.00 28.81 58.86 2 0 13.15 -999 ? CL CL A 585 >ARG~A 197 -43.69 27.48 52.69 -46.40 28.15 51.49 -45.04 27.81 52.09 2 0 16.39 -999 ? CO CO B 601 >LYS~A 198 -41.62 23.20 57.44 -36.31 22.12 59.32 -38.96 22.66 58.38 2 0 14.10 -999 ? CL CL A 586 >TRP~A 199 -40.86 23.72 62.61 -39.83 27.42 63.43 -40.35 25.57 63.02 3 0 13.16 -999 ? CL CL A 586 >ASP~A 200 -47.81 24.00 59.92 -49.84 23.40 60.01 -48.82 23.70 59.97 2 0 15.05 -999 ? CL CL A 585 >PRO.A 201 -47.98 19.02 57.96 -47.36 20.96 57.08 -47.67 19.99 57.52 3 0 19.08 -999 ? CO CO B 601 >ALA~A 202 -50.96 22.23 56.13 -51.81 22.66 57.30 -51.39 22.44 56.72 2 0 16.56 -999 ? CL CL A 585 >PHE~A 203 -49.20 26.71 56.67 -49.85 27.24 59.33 -49.53 26.98 58.00 3 0 12.89 -999 ? CL CL A 585 >ALA~A 204 -47.97 23.41 51.94 -47.80 21.89 52.05 -47.88 22.65 52.00 2 0 14.56 -999 ? CO CO B 601 >GLU~A 205 -51.90 21.62 49.62 -53.40 20.48 48.65 -52.65 21.05 49.13 2 0 8.55 -999 ? CO CO B 601 >LEU~A 206 -52.18 28.19 50.65 -52.15 28.36 52.80 -52.17 28.28 51.72 3 0 13.28 -999 ? CO CO B 601 >THR~A 207 -49.13 30.81 48.70 -50.32 31.95 47.28 -49.73 31.38 47.99 2 0 13.75 -999 ? CO CO B 601 >ASP~A 208 -46.08 34.00 50.61 -44.35 32.83 50.46 -45.21 33.41 50.54 2 0 17.43 -999 ? CL CL A 585 >GLU~A 209 -51.15 37.77 49.69 -52.51 38.42 48.19 -51.83 38.09 48.94 2 0 16.87 -999 ? CL CL A 585 >GLU~A 210 -52.80 31.41 49.77 -53.90 30.58 48.13 -53.35 31.00 48.95 2 0 11.56 -999 ? CO CO B 601 >LEU~A 211 -49.29 31.40 54.18 -48.07 30.59 55.77 -48.68 31.00 54.97 3 0 12.56 -999 ? CL CL A 585 >LEU~A 212 -49.24 36.19 55.70 -47.08 36.48 55.81 -48.16 36.33 55.75 3 0 10.43 -999 ? CL CL A 585 >ARG~A 213 -56.43 36.75 53.05 -54.95 38.69 51.19 -55.69 37.72 52.12 2 0 14.06 -999 ? CL CL A 585 >GLY~A 214 -54.89 32.41 56.76 -54.48 32.97 57.20 -54.69 32.69 56.98 1 0 9.80 -999 ? CL CL A 585 >ILE~A 215 -51.73 32.56 60.45 -50.35 32.26 59.91 -51.04 32.41 60.18 3 0 7.09 -999 ? CL CL A 585 >GLY.A 216 -54.82 36.17 60.55 -54.04 36.08 60.37 -54.43 36.13 60.46 1 0 5.01 -999 ? CL CL A 585 >ALA.A 217 -51.55 38.03 60.14 -50.23 37.32 59.95 -50.89 37.68 60.04 2 0 5.71 -999 ? CL CL A 585 >LEU.A 218 -51.99 38.87 55.51 -51.65 40.55 54.23 -51.82 39.71 54.87 3 0 10.49 -999 ? CL CL A 585 >ASP.A 219 -54.66 43.81 56.51 -55.68 44.93 57.96 -55.17 44.37 57.23 2 0 10.80 -999 ? CL CL A 585 >ALA.A 220 -57.47 42.79 53.74 -58.92 43.03 54.05 -58.20 42.91 53.90 2 0 13.80 -999 ? CL CL A 585 >GLU.A 221 -56.62 48.15 53.01 -58.41 47.62 53.98 -57.51 47.88 53.49 2 0 16.12 -999 ? CL CL A 585 >GLY.A 222 -52.43 43.78 52.55 -52.58 44.25 53.21 -52.50 44.01 52.88 1 0 14.07 -999 ? CL CL A 585 >PHE^A 223 -51.39 47.43 55.69 -51.03 49.69 54.08 -51.21 48.56 54.88 3 0 15.26 -999 ? CL CL A 585 >LEU^A 224 -48.02 42.36 58.62 -47.02 40.90 57.42 -47.52 41.63 58.02 3 0 9.82 -999 ? CL CL A 585 >SER^A 225 -50.67 42.97 62.16 -50.89 40.72 63.07 -50.78 41.85 62.61 2 0 4.42 -999 ? CL CL A 585 >GLN~A 226 -47.48 45.19 66.93 -46.59 46.76 65.79 -47.03 45.97 66.36 2 0 10.20 -999 ? CL CL A 584 >ALA~A 227 -47.93 40.04 65.74 -49.01 39.15 66.34 -48.47 39.60 66.04 2 0 4.48 -999 ? CL CL A 585 >GLY~A 228 -47.52 39.23 62.08 -47.08 39.81 62.51 -47.30 39.52 62.29 1 0 6.40 -999 ? CL CL A 585 >LYS~A 229 -44.83 41.86 61.61 -42.13 46.56 63.53 -43.48 44.21 62.57 2 0 14.27 -999 ? CL CL A 585 >LEU~A 230 -43.65 40.72 66.14 -42.18 40.17 67.63 -42.91 40.45 66.88 3 0 10.60 -999 ? CL CL A 585 >LEU~A 231 -44.20 36.17 63.67 -44.56 35.24 65.59 -44.38 35.71 64.63 3 0 8.63 -999 ? CL CL A 585 >PHE~A 232 -44.08 35.71 59.08 -45.51 33.35 59.63 -44.79 34.53 59.36 3 0 10.23 -999 ? CL CL A 585 >THR~A 233 -40.29 40.55 59.66 -41.11 42.47 59.13 -40.70 41.51 59.40 2 0 14.13 -999 ? CL CL A 585 >SER.A 234 -36.83 41.34 61.00 -35.74 42.65 59.19 -36.29 42.00 60.09 2 0 18.86 -999 ? CL CL A 585 >LEU.A 235 -37.76 42.70 65.52 -36.96 41.15 66.77 -37.36 41.93 66.15 3 0 16.22 -999 ? CL CL A 585 >ASP.A 236 -33.78 46.17 63.20 -34.61 46.22 61.26 -34.19 46.19 62.23 2 0 20.67 -999 ? CL CL A 585 >ARG.A 237 -34.62 44.76 70.25 -37.68 44.90 70.41 -36.15 44.83 70.33 2 0 15.34 -999 ? CL CL A 584 >THR.A 238 -31.92 40.49 69.28 -30.12 39.59 69.95 -31.02 40.04 69.61 2 0 19.21 -999 ? CL CL A 586 >ALA.A 239 -35.06 38.92 70.67 -36.13 38.31 69.77 -35.59 38.62 70.22 2 0 16.84 -999 ? CL CL A 584 >ILE^A 240 -34.41 34.85 72.44 -34.79 33.55 72.46 -34.60 34.20 72.45 3 0 13.41 -999 ? CL CL A 586 >GLU^A 241 -29.04 36.94 74.14 -27.68 38.56 74.07 -28.36 37.75 74.10 2 0 18.55 -999 ? CL CL A 586 >LEU^A 242 -28.04 30.64 74.01 -27.89 28.66 74.89 -27.96 29.65 74.45 3 0 10.32 -999 ? CL CL A 586 >SER^A 243 -24.98 32.05 77.06 -25.10 34.46 77.32 -25.04 33.25 77.19 2 0 16.39 -999 ? CL CL A 586 >ILE^A 244 -22.75 27.79 76.92 -22.66 26.76 76.07 -22.70 27.27 76.49 3 0 12.77 -999 ? CL CL A 586 >PHE^A 245 -22.80 30.62 82.49 -23.33 33.35 82.36 -23.07 31.99 82.43 3 0 17.74 -999 ? CL CL A 586 >ASP.A 246 -18.07 26.31 83.25 -16.96 24.51 83.39 -17.51 25.41 83.32 2 0 19.61 -999 ? CL CL A 586 >VAL.A 247 -21.27 26.30 86.45 -20.08 25.94 88.26 -20.68 26.12 87.35 3 0 19.74 -999 ? CL CL A 586 >HIS.A 248 -25.91 29.16 89.52 -27.12 30.78 90.09 -26.51 29.97 89.81 3 0 20.24 -999 ? CL CL A 586 >GLY.A 249 -21.45 31.25 89.17 -21.44 31.25 88.37 -21.44 31.25 88.77 1 0 22.51 -999 ? CL CL A 586 >GLY.A 250 -20.03 33.04 86.19 -19.94 32.24 86.22 -19.99 32.64 86.21 1 0 22.25 -999 ? CL CL A 586 >GLN.A 251 -15.11 31.18 83.63 -13.55 32.52 84.25 -14.33 31.85 83.94 2 0 25.45 -999 ? CL CL A 586 >VAL^A 252 -19.01 32.43 80.17 -20.21 33.84 79.12 -19.61 33.13 79.65 3 0 19.46 -999 ? CL CL A 586 >LEU^A 253 -18.17 28.10 78.34 -17.41 27.07 80.07 -17.79 27.58 79.20 3 0 17.90 -999 ? CL CL A 586 >ASN^A 254 -19.51 29.28 74.10 -19.49 29.66 72.03 -19.50 29.47 73.06 2 0 16.30 -999 ? CL CL A 586 >ARG^A 255 -21.72 36.21 74.16 -19.68 36.64 76.43 -20.70 36.43 75.30 2 0 21.04 -999 ? CL CL A 586 >VAL^A 256 -24.91 32.28 70.61 -26.30 30.65 70.16 -25.61 31.46 70.38 3 0 13.29 -999 ? CL CL A 586 >VAL.A 257 -26.64 35.53 69.61 -25.18 36.96 70.44 -25.91 36.24 70.03 3 0 17.26 -999 ? CL CL A 586 >PRO.A 258 -30.72 35.53 68.10 -28.69 35.43 67.23 -29.71 35.48 67.66 3 0 15.94 -999 ? CL CL A 586 >GLU.A 259 -26.82 37.17 62.22 -27.05 35.07 62.12 -26.94 36.12 62.17 2 0 18.92 -999 ? CL CL A 586 >PRO.A 260 -28.94 42.42 64.19 -30.32 40.71 64.37 -29.63 41.57 64.28 3 0 22.74 -999 ? CL CL A 586 >GLU.A 261 -29.80 41.83 59.79 -28.40 40.39 60.43 -29.10 41.11 60.11 2 0 23.71 -999 ? CL CL A 586 >LYS.A 262 -33.88 37.90 61.53 -29.81 33.04 60.96 -31.84 35.47 61.24 2 0 17.46 -999 ? CL CL A 586 >SER~A 263 -37.56 37.64 62.41 -38.34 35.81 61.03 -37.95 36.73 61.72 2 0 15.12 -999 ? CL CL A 585 >CYH~A 264 -38.63 36.10 65.73 -39.73 37.96 67.53 -39.18 37.03 66.63 2 0 13.38 -999 ? CL CL A 585 >LEU~A 265 -40.31 32.61 62.81 -42.44 32.35 62.87 -41.38 32.48 62.84 3 0 12.63 -999 ? CL CL A 585 >GLU~A 266 -35.98 33.72 60.21 -35.45 35.29 58.92 -35.72 34.50 59.57 2 0 18.55 -999 ? CL CL A 585 >GLN~A 267 -33.78 36.30 65.94 -33.95 38.18 66.93 -33.86 37.24 66.43 2 0 18.36 -999 ? CL CL A 586 >LEU~A 268 -38.00 31.05 67.67 -39.19 29.61 68.76 -38.59 30.33 68.22 3 0 11.89 -999 ? CL CL A 586 >ASP~A 269 -35.53 28.50 63.88 -34.54 26.87 62.98 -35.03 27.69 63.43 2 0 11.76 -999 ? CL CL A 586 >TYR~A 270 -29.73 31.27 65.15 -26.96 31.57 64.83 -28.34 31.42 64.99 3 0 14.11 -999 ? CL CL A 586 >LEU~A 271 -32.72 30.23 70.32 -31.09 30.91 71.54 -31.90 30.57 70.93 3 0 10.00 -999 ? CL CL A 586 >GLU~A 272 -36.21 26.33 69.26 -38.03 25.82 68.28 -37.12 26.08 68.77 2 0 8.38 -999 ? CL CL A 586 >GLN~A 273 -31.58 25.50 64.44 -31.67 23.62 63.48 -31.62 24.56 63.96 2 0 10.04 -999 ? CL CL A 586 >ALA~A 274 -28.05 25.66 68.94 -27.54 27.09 69.11 -27.80 26.38 69.03 2 0 9.26 -999 ? CL CL A 586 >LEU~A 275 -31.27 25.15 72.48 -31.42 26.04 74.42 -31.35 25.59 73.45 3 0 5.08 -999 ? CL CL A 586 >ASN~A 276 -30.88 20.81 69.22 -31.62 18.82 68.97 -31.25 19.82 69.09 2 0 4.80 -999 ? CL CL A 586 >VAL~A 277 -26.55 20.84 70.67 -25.12 21.40 69.15 -25.84 21.12 69.91 3 0 7.99 -999 ? CL CL A 586 >VAL~A 278 -25.94 22.22 74.12 -25.84 24.26 74.76 -25.89 23.24 74.44 3 0 7.80 -999 ? CL CL A 586 >ASN~A 279 -29.97 19.74 75.04 -31.11 18.87 76.58 -30.54 19.31 75.81 2 0 -4.59 -999 ? CL CL A 586s >LYS.A 280 -25.76 17.12 75.33 -24.08 20.33 78.80 -24.92 18.72 77.07 2 0 10.81 -999 ? CL CL A 586 >ASN.A 281 -28.66 14.07 74.25 -28.85 12.17 73.31 -28.76 13.12 73.78 2 0 9.73 -999 ? CL CL A 586 >ASN^A 282 -25.85 11.09 78.68 -27.11 12.04 80.10 -26.48 11.57 79.39 2 0 12.86 -999 ? CL CL A 586 >THR^A 283 -27.22 7.22 77.11 -25.59 6.46 75.89 -26.40 6.84 76.50 2 0 16.55 -999 ? CL CL A 586 >VAL^A 284 -29.17 5.33 79.81 -31.10 6.37 80.02 -30.14 5.85 79.92 3 0 16.82 -999 ? CL CL A 586 >VAL^A 285 -29.35 1.53 80.15 -27.57 0.37 79.71 -28.46 0.95 79.93 3 0 21.62 -999 ? CL CL A 586 >GLU^A 286 -33.98 1.23 82.30 -34.66 0.27 84.08 -34.32 0.75 83.19 2 0 23.43 -999 ? CL CL A 586 >GLY.A 287 -32.12 -4.29 81.01 -31.68 -3.66 80.61 -31.90 -3.97 80.81 1 0 26.43 -999 ? CL CL A 586 >PHE.A 288 -27.48 -5.23 77.54 -25.02 -5.20 76.25 -26.25 -5.22 76.90 3 0 27.28 -999 ? CL CL A 586 >VAL^A 289 -31.67 -1.89 76.43 -33.73 -2.12 75.90 -32.70 -2.01 76.17 3 0 23.11 -999 ? CL CL A 586 >HIS^A 290 -27.43 0.41 75.63 -26.11 -0.95 76.53 -26.77 -0.27 76.08 3 0 22.32 -999 ? CL CL A 586 >LYS^A 291 -31.55 4.54 74.83 -35.07 3.44 78.91 -33.31 3.99 76.87 2 0 18.50 -999 ? CL CL A 586 >PRO^A 292 -31.03 7.94 72.10 -30.56 7.46 74.20 -30.80 7.70 73.15 3 0 13.39 -999 ? CL CL A 586 >VAL^A 293 -31.89 10.62 76.72 -33.05 9.86 78.37 -32.47 10.24 77.55 3 0 11.59 -999 ? CL CL A 586 >PRO.A 294 -33.32 14.67 75.67 -31.49 13.74 76.56 -32.41 14.21 76.12 3 0 7.40 -999 ? CL CL A 586 >GLU.A 295 -27.68 17.11 79.23 -26.15 17.78 80.49 -26.91 17.45 79.86 2 0 10.73 -999 ? CL CL A 586 >ILE.A 296 -33.52 19.28 80.32 -32.87 20.59 80.56 -33.19 19.93 80.44 3 0 7.49 -999 ? CL CL A 586 >PRO~A 297 -37.59 16.96 80.08 -36.07 16.80 78.46 -36.83 16.88 79.27 3 0 8.27 -999 ? CL CL A 586 >ARG~A 298 -34.45 18.00 72.32 -32.04 16.15 71.91 -33.24 17.08 72.11 2 0 -4.99 -999 ? CL CL A 586s >LEU~A 299 -41.44 18.31 75.56 -43.55 18.63 75.48 -42.49 18.47 75.52 3 0 9.93 -999 ? CL CL A 586 >ALA~A 300 -39.66 20.97 78.43 -38.92 20.31 79.59 -39.29 20.64 79.01 2 0 8.73 -999 ? CL CL A 586 >VAL~A 301 -37.05 23.18 76.72 -34.95 22.89 76.26 -36.00 23.03 76.49 3 0 4.96 -999 ? CL CL A 586 >ARG~A 302 -40.40 23.00 70.24 -40.00 20.08 71.15 -40.20 21.54 70.69 2 0 7.10 -999 ? CL CL A 586 >GLU~A 303 -44.17 23.97 77.18 -45.43 23.55 75.51 -44.80 23.76 76.35 2 0 12.77 -999 ? CL CL A 586 >ALA~A 304 -40.05 27.15 78.13 -38.83 26.74 78.95 -39.44 26.95 78.54 2 0 10.07 -999 ? CL CL A 586 >MET?A 305 -38.76 28.85 74.97 -35.29 28.80 74.38 -37.02 28.82 74.68 2 0 8.31 -999 ? CL CL A 586 >LEU~A 306 -42.97 28.41 72.66 -42.74 27.48 70.75 -42.86 27.94 71.70 3 0 12.04 -999 ? CL CL A 586 >ASN~A 307 -43.41 29.78 77.80 -45.33 29.43 78.65 -44.37 29.60 78.23 2 0 15.40 -999 ? CL CL A 584 >ALA~A 308 -41.10 33.46 76.84 -39.60 33.34 77.10 -40.35 33.40 76.97 2 0 14.60 -999 ? CL CL A 586 >MET?A 309 -41.20 34.21 73.10 -38.62 34.45 71.08 -39.91 34.33 72.09 2 0 14.74 -999 ? CL CL A 586 >ILE~A 310 -45.87 33.42 73.57 -46.91 32.58 72.95 -46.39 33.00 73.26 3 0 10.45 -999 ? CL CL A 584 >HIS~A 311 -46.90 34.55 77.84 -48.37 33.17 77.25 -47.63 33.86 77.54 3 0 10.48 -999 ? CL CL A 584 >ARG~A 312 -39.51 39.30 74.17 -37.83 41.79 74.77 -38.67 40.54 74.47 2 0 14.93 -999 ? CL CL A 584 >ASP.A 313 -41.87 43.06 78.29 -42.94 44.85 78.73 -42.41 43.96 78.51 2 0 12.14 -999 ? CL CL A 584 >TRP.A 314 -43.51 39.90 72.55 -39.97 39.19 71.01 -41.74 39.54 71.78 3 0 10.94 -999 ? CL CL A 584 >ASN.A 315 -43.03 47.14 75.34 -42.93 49.28 75.29 -42.98 48.21 75.32 2 0 12.81 -999 ? CL CL A 584 >ARG.A 316 -39.63 45.20 79.81 -37.23 45.11 81.72 -38.43 45.15 80.77 2 0 18.43 -999 ? CL CL A 584 >SER.A 317 -35.20 46.27 74.66 -34.80 48.66 74.50 -35.00 47.47 74.58 2 0 19.30 -999 ? CL CL A 584 >GLU.A 318 -34.26 44.04 78.95 -34.58 46.13 79.29 -34.42 45.09 79.12 2 0 19.89 -999 ? CL CL A 584 >PRO.A 319 -31.52 40.98 73.78 -33.24 40.82 75.18 -32.38 40.90 74.48 3 0 20.10 -999 ? CL CL A 586 >ILE^A 320 -35.63 35.94 75.90 -36.83 35.18 75.74 -36.23 35.56 75.82 3 0 15.26 -999 ? CL CL A 586 >ASP^A 321 -31.13 36.75 79.67 -29.22 36.07 80.32 -30.17 36.41 79.99 2 0 17.32 -999 ? CL CL A 586 >VAL^A 322 -31.33 32.19 78.30 -31.72 30.83 76.59 -31.52 31.51 77.45 3 0 11.64 -999 ? CL CL A 586 >ARG^A 323 -29.18 32.89 82.20 -27.28 34.79 83.69 -28.23 33.84 82.95 2 0 18.51 -999 ? CL CL A 586 >TRP^A 324 -25.71 24.17 79.16 -28.89 21.91 78.78 -27.30 23.04 78.97 3 0 8.66 -999 ? CL CL A 586 >ILE^A 325 -25.66 25.60 84.45 -25.08 26.80 84.75 -25.37 26.20 84.60 3 0 14.96 -999 ? CL CL A 586 >GLU.A 326 -21.39 23.46 80.08 -21.80 22.16 78.48 -21.60 22.81 79.28 2 0 12.70 -999 ? CL CL A 586 >LEU.A 327 -20.94 21.27 86.06 -18.86 20.83 85.61 -19.90 21.05 85.84 3 0 18.47 -999 ? CL CL A 586 >ASP.A 328 -25.93 22.52 87.37 -24.64 22.88 89.00 -25.28 22.70 88.18 2 0 18.24 -999 ? CL CL A 586 >SER.A 329 -27.43 20.43 83.44 -26.74 18.09 83.53 -27.09 19.26 83.49 2 0 12.65 -999 ? CL CL A 586 >THR^A 330 -29.74 23.32 84.22 -29.31 24.14 86.20 -29.53 23.73 85.21 2 0 14.13 -999 ? CL CL A 586 >LEU^A 331 -31.96 25.33 80.60 -33.24 26.27 79.10 -32.60 25.80 79.85 3 0 8.44 -999 ? CL CL A 586 >ILE^A 332 -31.58 30.10 83.92 -31.08 30.38 85.23 -31.33 30.24 84.57 3 0 14.99 -999 ? CL CL A 586 >VAL^A 333 -34.74 31.49 80.94 -35.88 30.68 79.28 -35.31 31.08 80.11 3 0 12.61 -999 ? CL CL A 586 >ARG^A 334 -31.61 35.81 83.78 -31.26 36.76 86.67 -31.43 36.29 85.23 2 0 21.03 -999 ? CL CL A 586 >SER^A 335 -37.68 37.11 80.25 -38.57 35.20 79.09 -38.13 36.15 79.67 2 0 16.46 -999 ? CL CL A 586 >PRO^A 336 -37.96 40.77 77.97 -38.03 40.21 80.12 -37.99 40.49 79.05 3 0 16.11 -999 ? CL CL A 584 >GLY.A 337 -41.39 41.85 82.15 -40.86 41.35 82.58 -41.12 41.60 82.36 1 0 14.99 -999 ? CL CL A 584 >GLY.A 338 -43.30 40.58 85.15 -43.83 40.74 84.55 -43.57 40.66 84.85 1 0 15.98 -999 ? CL CL A 584 >PHE.A 339 -45.83 36.80 87.51 -44.23 34.52 87.62 -45.03 35.66 87.56 3 0 18.08 -999 ? CL CL A 584 >PRO.A 340 -50.35 39.20 84.23 -49.01 40.56 85.36 -49.68 39.88 84.80 3 0 13.07 -999 ? CL CL A 584 >ALA.A 341 -51.09 42.79 88.43 -51.47 44.27 88.51 -51.28 43.53 88.47 2 0 16.67 -999 ? CL CL A 584 >ALA.A 342 -53.19 39.75 89.40 -54.18 39.73 88.23 -53.68 39.74 88.82 2 0 16.27 -999 ? CL CL A 584 >ILE.A 343 -50.46 36.35 87.29 -51.32 35.28 86.98 -50.89 35.81 87.13 3 0 16.09 -999 ? CL CL A 584 >THR.A 344 -48.56 35.56 91.35 -48.88 35.08 93.46 -48.72 35.32 92.40 2 0 22.53 -999 ? CL CL A 584 >SER.A 345 -45.76 33.00 91.61 -43.57 32.15 92.32 -44.66 32.57 91.97 2 0 23.94 -999 ? CL CL A 584 >GLU.A 346 -47.29 30.34 95.21 -47.28 31.40 97.02 -47.28 30.87 96.12 2 0 27.33 -999 ? CL CL A 584 >ASN.A 347 -51.78 32.77 90.88 -53.88 32.72 90.62 -52.83 32.74 90.75 2 0 20.46 -999 ? CL CL A 584 >VAL.A 348 -49.38 30.86 87.13 -47.29 31.20 87.61 -48.33 31.03 87.37 3 0 18.90 -999 ? CL CL A 584 >LEU.A 349 -49.72 25.98 87.18 -47.76 25.29 87.73 -48.74 25.63 87.45 3 0 21.74 -999 ? CL CL A 586 >SER.A 350 -53.72 28.20 86.34 -53.96 29.57 88.34 -53.84 28.88 87.34 2 0 20.12 -999 ? CL CL A 584 >ASN.A 351 -52.31 32.46 84.51 -52.54 34.13 83.22 -52.42 33.30 83.86 2 0 13.25 -999 ? CL CL A 584 >ARG.A 352 -55.16 28.43 80.65 -54.69 26.40 82.91 -54.92 27.41 81.78 2 0 18.59 -999 ? CL CL A 584 >ALA.A 353 -54.87 35.16 79.77 -55.65 36.24 80.51 -55.26 35.70 80.14 2 0 10.33 -999 ? CL CL A 584 >ALA.A 354 -51.66 36.04 77.89 -51.26 35.38 76.59 -51.46 35.71 77.24 2 0 7.59 -999 ? CL CL A 584 >ARG.A 355 -46.71 41.42 77.69 -46.00 41.51 80.68 -46.35 41.47 79.18 2 0 10.75 -999 ? CL CL A 584 >TYR~A 356 -48.30 40.97 73.70 -46.67 43.06 74.61 -47.49 42.01 74.15 3 0 -5.46 -999 ? CL CL A 584s >PRO~A 357 -54.62 38.65 74.79 -53.05 37.98 73.38 -53.84 38.32 74.09 3 0 -3.87 -999 ? CL CL A 584s >ALA~A 358 -53.05 38.44 69.45 -52.90 39.85 68.92 -52.98 39.15 69.19 2 0 3.58 -999 ? CL CL A 584s >LEU~A 359 -48.30 37.70 70.35 -46.32 37.03 69.80 -47.31 37.36 70.07 3 0 6.89 -999 ? CL CL A 584 >ALA~A 360 -50.49 34.03 71.28 -51.27 33.96 72.58 -50.88 33.99 71.93 2 0 7.54 -999 ? CL CL A 584 >ASP~A 361 -54.44 34.07 68.42 -55.52 33.14 66.88 -54.98 33.60 67.65 2 0 5.26 -999 ? CL CL A 585 >LEU~A 362 -49.94 34.97 65.58 -49.28 35.56 63.61 -49.61 35.26 64.60 3 0 3.84 -999 ? CL CL A 585 >TYR~A 363 -46.44 31.88 68.59 -43.99 33.25 68.52 -45.21 32.57 68.56 3 0 9.65 -999 ? CL CL A 585 >ARG~A 364 -52.89 26.98 69.80 -54.33 24.42 68.93 -53.61 25.70 69.37 2 0 13.51 -999 ? CL CL A 585 >ALA~A 365 -52.45 29.43 64.09 -52.71 30.81 63.53 -52.58 30.12 63.81 2 0 6.63 -999 ? CL CL A 585 >LEU~A 366 -47.67 29.13 63.30 -47.89 30.71 61.88 -47.78 29.92 62.59 3 0 9.26 -999 ? CL CL A 585 >GLY.A 367 -49.38 25.23 65.13 -48.77 25.80 65.21 -49.07 25.52 65.17 1 0 12.53 -999 ? CL CL A 585 >LEU.A 368 -45.52 27.15 67.00 -45.00 27.55 64.94 -45.26 27.35 65.97 3 0 12.53 -999 ? CL CL A 585 >VAL.A 369 -48.08 25.91 70.75 -47.53 27.65 71.93 -47.81 26.78 71.34 3 0 13.25 -999 ? CL CL A 585 >ASP.A 370 -50.58 23.01 73.70 -49.76 21.19 73.02 -50.17 22.10 73.36 2 0 16.57 -999 ? CL CL A 586 >LYS.A 371 -54.05 25.58 73.92 -58.63 23.78 76.91 -56.34 24.68 75.42 2 0 18.89 -999 ? CL CL A 585 >GLN~A 372 -52.59 29.30 78.31 -50.98 30.53 77.56 -51.78 29.92 77.93 2 0 12.23 -999 ? CL CL A 584 >GLY~A 373 -52.21 25.50 80.26 -52.06 25.18 79.47 -52.14 25.34 79.86 1 0 17.85 -999 ? CL CL A 584 >VAL~A 374 -51.38 22.34 78.35 -52.46 21.24 76.81 -51.92 21.79 77.58 3 0 19.30 -999 ? CL CL A 586 >GLY~A 375 -48.00 23.90 77.59 -48.33 23.69 78.31 -48.17 23.80 77.95 1 0 15.79 -999 ? CL CL A 586 >VAL~A 376 -46.73 24.65 81.06 -47.60 25.75 82.71 -47.17 25.20 81.88 3 0 17.11 -999 ? CL CL A 586 >ASP~A 377 -49.97 21.18 82.34 -51.16 22.46 83.58 -50.56 21.82 82.96 2 0 20.90 -999 ? CL CL A 586 >ARG~A 378 -48.49 18.81 76.41 -47.25 17.90 73.77 -47.87 18.36 75.09 2 0 14.39 -999 ? CL CL A 586 >MET?A 379 -43.59 20.89 80.77 -41.61 24.70 81.16 -42.60 22.80 80.96 2 0 12.32 -999 ? CL CL A 586 >TYR~A 380 -44.93 21.91 86.11 -44.47 24.22 87.59 -44.70 23.07 86.85 3 0 18.13 -999 ? CL CL A 586 >GLN~A 381 -45.89 15.28 81.67 -45.73 13.27 82.38 -45.81 14.28 82.03 2 0 17.40 -999 ? CL CL A 586 >ALA~A 382 -42.10 15.96 81.48 -41.71 16.78 80.26 -41.90 16.37 80.87 2 0 11.91 -999 ? CL CL A 586 >MET?A 383 -39.83 16.98 84.38 -37.66 19.20 83.14 -38.75 18.09 83.76 2 0 11.19 -999 ? CL CL A 586 >ILE~A 384 -43.02 15.32 87.60 -43.98 15.68 88.61 -43.50 15.50 88.11 3 0 19.05 -999 ? CL CL A 586 >ALA~A 385 -41.91 11.94 84.94 -42.55 11.97 83.55 -42.23 11.96 84.24 2 0 16.67 -999 ? CL CL A 586 >LEU~A 386 -37.30 12.48 83.67 -37.77 12.28 81.60 -37.53 12.38 82.63 3 0 13.55 -999 ? CL CL A 586 >GLY.A 387 -37.68 12.10 88.40 -37.59 12.71 87.91 -37.63 12.40 88.15 1 0 18.27 -999 ? CL CL A 586 >HIS.A 388 -35.11 15.64 85.89 -33.68 14.54 84.81 -34.40 15.09 85.35 3 0 13.68 -999 ? CL CL A 586 >ARG.A 389 -34.85 20.46 91.74 -32.12 21.28 92.84 -33.49 20.87 92.29 2 0 19.86 -999 ? CL CL A 586 >PRO.A 390 -41.35 20.73 90.84 -40.23 20.22 89.00 -40.79 20.48 89.92 3 0 18.54 -999 ? CL CL A 586 >PRO.A 391 -41.45 23.06 85.15 -39.99 23.07 86.81 -40.72 23.06 85.98 3 0 15.15 -999 ? CL CL A 586 >THR^A 392 -39.72 26.68 88.94 -38.06 26.46 90.28 -38.89 26.57 89.61 2 0 18.79 -999 ? CL CL A 586 >ILE^A 393 -41.99 29.80 86.37 -43.28 29.95 85.76 -42.64 29.87 86.06 3 0 18.45 -999 ? CL CL A 586 >GLU^A 394 -38.29 33.15 90.80 -37.26 33.66 92.59 -37.78 33.41 91.70 2 0 23.73 -999 ? CL CL A 586 >GLU^A 395 -41.56 39.22 88.85 -43.33 40.41 89.05 -42.45 39.81 88.95 2 0 19.28 -999 ? CL CL A 584 >ILE^A 396 -35.94 37.96 88.49 -34.99 37.69 89.48 -35.46 37.83 88.98 3 0 23.40 -999 ? CL CL A 586 >ALA.A 397 -36.27 42.20 90.04 -35.37 42.71 91.15 -35.82 42.45 90.60 2 0 25.64 -999 ? CL CL A 584 >GLY.A 398 -36.08 43.92 86.67 -36.75 44.22 87.05 -36.41 44.07 86.86 1 0 22.09 -999 ? CL CL A 584 >PRO.A 399 -40.28 44.74 84.67 -38.62 44.00 85.92 -39.45 44.37 85.30 3 0 18.79 -999 ? CL CL A 584 >PHE^A 400 -35.65 40.25 83.97 -33.89 41.31 82.06 -34.77 40.78 83.02 3 0 20.83 -999 ? CL CL A 584 >VAL^A 401 -39.59 36.40 84.81 -41.72 36.23 84.47 -40.66 36.31 84.64 3 0 17.97 -999 ? CL CL A 584 >GLU^A 402 -35.65 33.35 86.96 -33.66 33.40 87.67 -34.65 33.38 87.31 2 0 19.28 -999 ? CL CL A 586 >THR^A 403 -38.07 29.88 84.39 -39.71 29.06 83.20 -38.89 29.47 83.79 2 0 14.60 -999 ? CL CL A 586 >THR^A 404 -35.51 27.37 85.64 -34.54 28.34 87.29 -35.02 27.85 86.47 2 0 16.17 -999 ? CL CL A 586 >LEU^A 405 -35.51 23.47 82.97 -37.33 24.03 82.01 -36.42 23.75 82.49 3 0 10.42 -999 ? CL CL A 586 >VAL^A 406 -32.91 21.47 86.34 -32.01 21.66 88.32 -32.46 21.56 87.33 3 0 14.35 -999 ? CL CL A 586 >GLY.A 407 -32.17 18.25 84.44 -31.58 18.47 84.87 -31.87 18.36 84.65 1 0 11.77 -999 ? CL CL A 586 >GLY.A 408 -29.47 15.64 84.02 -30.23 15.39 83.78 -29.85 15.52 83.90 1 0 12.75 -999 ? CL CL A 586 >ARG.A 409 -26.29 9.71 84.31 -25.65 8.03 81.84 -25.97 8.87 83.08 2 0 17.32 -999 ? CL CL A 586 >PRO.A 410 -32.58 9.01 82.71 -32.32 10.49 84.36 -32.45 9.75 83.54 3 0 15.33 -999 ? CL CL A 586 >VAL~A 411 -33.72 8.48 87.89 -35.03 8.97 89.60 -34.37 8.72 88.74 3 0 19.91 -999 ? CL CL A 586 >LEU~A 412 -33.21 3.74 86.98 -31.96 4.35 85.33 -32.58 4.04 86.15 3 0 21.36 -999 ? CL CL A 586 >PRO~A 413 -35.06 4.98 91.16 -35.97 3.98 89.40 -35.52 4.48 90.28 3 0 23.92 -999 ? CL CL A 586 >VAL~A 414 -38.95 6.61 89.00 -39.14 8.70 89.48 -39.05 7.65 89.24 3 0 21.74 -999 ? CL CL A 586 >LEU~A 415 -37.65 5.53 84.44 -36.73 6.96 83.15 -37.19 6.25 83.79 3 0 18.61 -999 ? CL CL A 586 >GLU~A 416 -38.12 1.61 87.65 -36.74 0.13 88.30 -37.43 0.87 87.98 2 0 26.02 -999 ? CL CL A 586 >LEU~A 417 -42.26 4.29 89.77 -44.29 4.65 90.45 -43.27 4.47 90.11 3 0 25.75 -999 ? CL CL A 586 >VAL~A 418 -44.14 5.34 85.90 -43.90 7.39 85.32 -44.02 6.37 85.61 3 0 22.05 -999 ? CL CL A 586 >SER~A 419 -43.44 2.64 83.33 -42.06 1.01 82.18 -42.75 1.83 82.76 2 0 23.61 -999 ? CL CL A 586 >SER~A 420 -45.62 0.35 85.45 -43.70 -0.73 86.40 -44.66 -0.19 85.93 2 0 27.50 -999 ? CL CL A 586 >ILE^A 421 -48.63 4.09 85.32 -48.84 5.43 85.75 -48.74 4.76 85.53 3 0 24.57 -999 ? CO CO C 601 >VAL^A 422 -52.03 1.25 84.41 -52.18 -0.91 84.11 -52.10 0.17 84.26 3 0 19.98 -999 ? CO CO C 601 >PRO~A 423 -55.54 3.85 82.85 -54.06 2.25 83.14 -54.80 3.05 83.00 3 0 18.29 -999 ? CO CO C 601 >GLU~A 424 -49.38 2.21 78.24 -49.21 1.25 76.36 -49.29 1.73 77.30 2 0 18.56 -999 ? CO CO C 601 >ALA~A 425 -52.64 6.09 79.06 -54.03 6.22 78.44 -53.33 6.16 78.75 2 0 17.81 -999 ? CO CO C 601 >ARG~A 426 -54.79 7.01 85.32 -57.53 8.17 84.68 -56.16 7.59 85.00 2 0 20.73 -999 ? CO CO C 601 >GLN~A 427 -47.91 5.08 81.67 -46.41 3.73 80.96 -47.16 4.41 81.31 2 0 23.06 -999 ? CL CL A 586 >ASP.A 428 -47.69 10.95 79.34 -49.37 10.44 78.16 -48.53 10.70 78.75 2 0 19.92 -999 ? CL CL A 586 >ASP~A 429 -52.06 11.29 83.35 -53.75 12.41 84.01 -52.91 11.85 83.68 2 0 24.78 -999 ? CO CO C 601 >TYR~A 430 -50.58 18.06 84.81 -50.17 20.33 86.43 -50.38 19.20 85.62 3 0 21.38 -999 ? CL CL A 586 >ARG~A 431 -55.59 14.85 85.52 -57.79 13.09 84.35 -56.69 13.97 84.93 2 0 23.77 -999 ? CO CO C 601 >ILE~A 432 -51.17 10.08 87.82 -50.76 9.81 87.16 -50.96 9.94 87.49 3 0 25.39 -999 ? CL CL A 586 >ALA~A 433 -47.72 13.31 87.94 -47.30 14.08 86.69 -47.51 13.70 87.31 2 0 20.79 -999 ? CL CL A 586 >ILE~A 434 -49.61 17.15 90.28 -48.88 18.42 90.41 -49.24 17.78 90.34 3 0 23.82 -999 ? CL CL A 586 >VAL~A 435 -50.12 13.66 92.84 -52.00 12.66 93.16 -51.06 13.16 93.00 3 0 27.90 -999 ? CL CL A 586 >LEU~A 436 -46.67 10.40 91.57 -47.21 8.32 91.36 -46.94 9.36 91.46 3 0 25.73 -999 ? CL CL A 586 >TYR~A 437 -43.50 16.34 92.60 -41.45 18.02 93.53 -42.47 17.18 93.06 3 0 22.40 -999 ? CL CL A 586 >LEU~A 438 -47.93 16.04 96.37 -48.51 18.01 95.82 -48.22 17.03 96.09 3 0 27.81 -999 ? CL CL A 586 >LEU~A 439 -46.92 10.96 97.36 -48.83 10.53 98.26 -47.87 10.74 97.81 3 0 30.55 -999 ? CL CL A 586 >PHE~A 440 -41.99 11.67 94.28 -42.46 10.12 91.98 -42.23 10.89 93.13 3 0 24.20 -999 ? CL CL A 586 >GLN~A 441 -42.22 16.71 97.58 -40.17 16.81 97.05 -41.19 16.76 97.32 2 0 25.36 -999 ? CL CL A 586 >ARG~A 442 -47.28 17.61 101.15 -48.46 18.78 103.71 -47.87 18.19 102.43 2 0 34.35 -999 ? CL CL A 586 >PRO.A 443 -45.99 12.64 105.60 -45.67 12.10 103.47 -45.83 12.37 104.54 3 0 35.01 -999 ? CL CL A 586 >PHE.A 444 -50.41 13.20 105.42 -50.35 15.65 106.79 -50.38 14.42 106.11 3 0 37.85 -999 ? CL CL A 586 >ILE.A 445 -51.28 13.79 99.44 -51.09 14.42 99.00 -51.18 14.11 99.22 3 0 32.50 -999 ? CL CL A 586 >THR~A 446 -54.87 15.97 101.52 -55.02 17.72 102.79 -54.95 16.85 102.16 2 0 37.06 -999 ? CL CL A 586 >ILE~A 447 -58.86 17.26 99.08 -60.08 17.57 98.86 -59.47 17.41 98.97 3 0 35.62 -999 ? CO CO A 601 >ASP~A 448 -56.20 21.43 101.41 -58.09 22.21 101.96 -57.14 21.82 101.69 2 0 35.90 -999 ? CL CL A 584 >VAL~A 449 -52.52 20.07 99.33 -50.96 19.16 100.48 -51.74 19.61 99.90 3 0 32.69 -999 ? CL CL A 586 >VAL~A 450 -53.28 18.50 96.00 -54.10 16.60 95.41 -53.69 17.55 95.70 3 0 30.76 -999 ? CL CL A 586 >ALA~A 451 -55.21 21.67 95.18 -56.38 22.19 95.99 -55.79 21.93 95.58 2 0 30.86 -999 ? CL CL A 584 >ARG~A 452 -50.68 26.00 99.03 -51.90 24.09 101.12 -51.29 25.05 100.07 2 0 33.76 -999 ? CL CL A 584 >GLY~A 453 -50.27 21.91 94.06 -50.93 22.31 93.78 -50.60 22.11 93.92 1 0 27.12 -999 ? CL CL A 586 >LEU~A 454 -53.51 21.30 90.54 -53.70 19.18 90.28 -53.61 20.24 90.41 3 0 26.83 -999 ? CL CL A 586 >GLN~A 455 -50.63 26.94 91.61 -49.02 27.65 90.40 -49.82 27.29 91.01 2 0 23.13 -999 ? CL CL A 584 >SER.A 456 -56.56 25.04 91.09 -58.05 24.19 89.34 -57.30 24.61 90.21 2 0 24.95 -999 ? CL CL A 584 >GLY~A 457 -59.90 24.93 92.90 -59.41 24.31 92.72 -59.65 24.62 92.81 1 0 27.51 -999 ? CL CL A 584 >LYS~A 458 -61.03 22.10 95.14 -64.00 23.42 100.10 -62.51 22.76 97.62 2 0 32.89 -999 ? CO CO A 601 >GLU~A 459 -64.99 21.61 91.65 -65.98 19.91 92.40 -65.49 20.76 92.02 2 0 26.15 -999 ? CO CO A 601 >ALA~A 460 -59.63 19.86 90.17 -58.67 20.90 89.63 -59.15 20.38 89.90 2 0 27.64 -999 ? CL CL A 584 >ALA~A 461 -58.09 18.45 93.35 -58.07 19.17 94.68 -58.08 18.81 94.02 2 0 32.15 -999 ? CL CL A 584 >ARG~A 462 -64.56 15.78 95.12 -64.47 18.43 96.70 -64.51 17.10 95.91 2 0 30.82 -999 ? CO CO A 601 >ASN~A 463 -60.71 16.07 89.02 -60.45 15.22 87.08 -60.58 15.64 88.05 2 0 26.29 -999 ? CO CO C 601 >ALA~A 464 -56.83 14.48 90.22 -55.78 15.52 90.60 -56.30 15.00 90.41 2 0 29.12 -999 ? CL CL A 586 >LEU~A 465 -57.65 12.92 94.77 -56.53 13.57 96.50 -57.09 13.24 95.63 3 0 31.95 -999 ? CO CO C 601 >GLU~A 466 -62.36 10.66 92.40 -62.76 8.67 93.07 -62.56 9.67 92.74 2 0 26.28 -999 ? CO CO C 601 >ALA~A 467 -57.94 9.55 88.78 -57.52 10.58 87.74 -57.73 10.07 88.26 2 0 24.34 -999 ? CO CO C 601 >ALA~A 468 -54.90 8.63 90.87 -54.10 9.58 91.75 -54.50 9.10 91.31 2 0 28.03 -999 ? CO CO C 601 >ARG~A 469 -59.99 6.03 95.48 -62.90 5.54 94.64 -61.45 5.78 95.06 2 0 26.27 -999 ? CO CO C 601 >GLN~A 470 -60.47 5.30 89.82 -62.01 6.10 88.60 -61.24 5.70 89.21 2 0 21.28 -999 ? CO CO C 601 >THR.A 471 -54.58 4.35 88.51 -53.36 5.94 87.77 -53.97 5.14 88.14 2 0 23.71 -999 ? CO CO C 601 >THR^A 472 -52.67 1.13 89.21 -53.66 -0.77 89.41 -53.17 0.18 89.31 2 0 22.78 -999 ? CO CO C 601 >VAL^A 473 -49.07 0.14 89.66 -47.43 1.52 89.73 -48.25 0.83 89.69 3 0 26.56 -999 ? CO CO C 601 >ALA.A 474 -48.13 -3.47 90.31 -47.05 -3.37 91.39 -47.59 -3.42 90.85 2 0 28.10 -999 ? CO CO C 601 >GLY.A 475 -51.76 -4.47 90.65 -51.46 -3.82 91.02 -51.61 -4.14 90.84 1 0 24.56 -999 ? CO CO C 601 >ALA^A 476 -52.32 -1.92 93.39 -51.41 -2.05 94.60 -51.87 -1.99 94.00 2 0 28.17 -999 ? CO CO C 601 >PRO^A 477 -54.94 1.07 95.13 -53.57 0.91 93.39 -54.25 0.99 94.26 3 0 26.97 -999 ? CO CO C 601 >LEU.A 478 -51.31 5.76 92.50 -50.13 5.99 90.74 -50.72 5.88 91.62 3 0 27.95 -999 ? CO CO C 601 >ILE^A 479 -53.25 7.67 96.42 -53.51 8.90 95.64 -53.38 8.29 96.03 3 0 31.12 -999 ? CO CO C 601 >ILE^A 480 -53.88 3.37 99.84 -54.76 2.96 100.93 -54.32 3.16 100.39 3 0 32.90 -999 ? CO CO C 601 >ALA^A 481 -56.95 6.16 101.82 -58.44 6.36 101.57 -57.69 6.26 101.70 2 0 33.70 -999 ? CO CO C 601 >HIS^A 482 -54.54 5.27 107.25 -54.30 4.42 109.16 -54.42 4.85 108.21 3 0 40.45 -999 ? CO CO C 601 >ASP.A 483 -56.85 8.73 109.09 -55.84 7.49 110.47 -56.34 8.11 109.78 2 0 42.88 -999 ? CO CO C 601 >GLY.A 484 -58.88 11.20 106.57 -58.08 11.00 106.47 -58.48 11.10 106.52 1 0 39.90 -999 ? CO CO C 601 >VAL^A 485 -55.94 11.56 104.22 -54.44 11.83 105.76 -55.19 11.70 104.99 3 0 39.53 -999 ? CO CO C 601 >TRP^A 486 -56.38 8.76 98.96 -59.12 11.59 99.03 -57.75 10.17 98.99 3 0 33.02 -999 ? CO CO C 601 >LEU^A 487 -50.47 7.97 102.28 -51.05 6.51 103.74 -50.76 7.24 103.01 3 0 37.34 -999 ? CL CL A 586 >LEU^A 488 -47.21 6.73 98.26 -46.16 6.62 96.39 -46.68 6.67 97.32 3 0 31.22 -999 ? CL CL A 586 >GLY~A 489 -49.39 2.64 98.26 -48.64 2.99 98.17 -49.01 2.82 98.21 1 0 33.02 -999 ? CO CO C 601 >ASN~A 490 -46.94 -1.00 100.40 -47.31 -0.45 102.43 -47.12 -0.72 101.42 2 0 37.11 -999 ? CO CO C 601 >ALA~A 491 -46.47 -0.88 95.83 -47.64 -0.88 94.84 -47.05 -0.88 95.34 2 0 30.59 -999 ? CO CO C 601 >CYH~A 492 -44.64 2.30 94.81 -46.85 3.40 93.53 -45.74 2.85 94.17 2 0 30.22 -999 ? CL CL A 586 >ARG~A 493 -44.98 3.50 101.28 -46.75 4.63 103.51 -45.87 4.07 102.40 2 0 37.12 -999 ? CL CL A 586 >GLU~A 494 -42.44 -2.27 98.42 -41.27 -2.65 100.15 -41.85 -2.46 99.29 2 0 36.82 -999 ? CL CL A 586 >ILE~A 495 -40.88 1.18 92.79 -40.93 -0.11 92.07 -40.91 0.54 92.43 3 0 29.16 -999 ? CL CL A 586 >LEU~A 496 -39.95 5.41 95.70 -40.82 5.82 93.75 -40.38 5.61 94.72 3 0 27.50 -999 ? CL CL A 586 >ARG~A 497 -38.63 0.42 100.74 -39.76 1.42 103.42 -39.19 0.92 102.08 2 0 36.69 -999 ? CL CL A 586 >LYS.A 498 -34.11 2.42 95.80 -33.16 -2.72 97.75 -33.64 -0.15 96.77 2 0 34.19 -999 ? CL CL A 586 >VAL.A 499 -33.19 6.07 95.18 -34.69 7.60 94.72 -33.94 6.84 94.95 3 0 26.06 -999 ? CL CL A 586 >GLU.A 500 -28.78 9.25 97.40 -29.03 10.94 98.64 -28.91 10.10 98.02 2 0 27.80 -999 ? CL CL A 586 >GLU.B 9 -57.80 44.83 33.66 -55.95 45.67 34.29 -56.88 45.25 33.98 2 0 18.61 -999 ? CL CL B 584 >GLY~B 10 -53.36 43.56 32.47 -53.92 43.04 32.75 -53.64 43.30 32.61 1 0 22.08 -999 ? CL CL B 584 >ARG~B 11 -55.42 39.04 37.84 -53.89 36.70 39.13 -54.66 37.87 38.48 2 0 15.41 -999 ? CO CO B 601 >ARG~B 12 -56.54 36.44 29.89 -59.20 36.52 31.40 -57.87 36.48 30.64 2 0 17.75 -999 ? CO CO B 601 >GLU~B 13 -51.87 40.67 28.94 -50.71 42.15 27.96 -51.29 41.41 28.45 2 0 25.30 -999 ? CO CO B 601 >GLN~B 14 -49.77 37.71 36.15 -49.84 38.90 37.93 -49.80 38.31 37.04 2 0 19.04 -999 ? CO CO B 601 >LEU~B 15 -54.08 34.79 34.02 -55.18 34.82 35.88 -54.63 34.81 34.95 3 0 14.74 -999 ? CO CO B 601 >ILE~B 16 -51.97 34.27 29.11 -52.57 34.41 27.77 -52.27 34.34 28.44 3 0 18.80 -999 ? CO CO B 601 >ALA~B 17 -48.09 33.63 31.02 -47.38 34.82 31.62 -47.73 34.22 31.32 2 0 19.26 -999 ? CO CO B 601 >GLN~B 18 -48.99 32.96 36.05 -50.08 33.26 37.85 -49.53 33.11 36.95 2 0 14.15 -999 ? CO CO B 601 >VAL~B 19 -50.54 28.78 32.11 -52.64 28.72 31.60 -51.59 28.75 31.86 3 0 13.31 -999 ? CO CO B 601 >GLU~B 20 -48.61 30.76 27.75 -49.12 29.73 25.97 -48.87 30.24 26.86 2 0 19.39 -999 ? CO CO B 601 >SER~B 21 -45.10 28.39 31.76 -43.76 28.79 33.72 -44.43 28.59 32.74 2 0 17.44 -999 ? CO CO B 601 >ILE~B 22 -48.15 25.29 34.05 -48.96 25.04 35.27 -48.55 25.16 34.66 3 0 11.93 -999 ? CO CO B 601 >LEU~B 23 -48.15 24.38 28.88 -50.31 24.20 28.80 -49.23 24.29 28.84 3 0 15.45 -999 ? CO CO B 601 >ALA~B 24 -43.69 24.50 28.98 -43.03 25.87 29.04 -43.36 25.19 29.01 2 0 19.71 -999 ? CO CO B 601 >SER~B 25 -42.54 22.21 31.81 -43.97 22.25 33.80 -43.25 22.23 32.81 2 0 15.83 -999 ? CO CO B 601 >ALA.B 26 -44.49 19.32 30.28 -45.43 19.45 29.09 -44.96 19.38 29.69 2 0 17.69 -999 ? CO CO B 601 >ALA.B 27 -42.39 16.14 30.55 -41.00 16.66 30.82 -41.70 16.40 30.68 2 0 20.60 -999 ? CO CO B 601 >ASP.B 28 -41.89 12.56 33.13 -39.79 12.21 33.01 -40.84 12.39 33.07 2 0 22.17 -999 ? CO CO B 601 >GLY.B 29 -46.33 12.61 31.20 -45.98 13.15 31.67 -46.16 12.88 31.44 1 0 18.03 -999 ? CO CO B 601 >ARG.B 30 -45.49 12.87 36.02 -45.40 13.59 39.02 -45.45 13.23 37.52 2 0 15.18 -999 ? CO CO B 601 >VAL.B 31 -46.50 19.17 34.15 -48.22 20.06 33.21 -47.36 19.61 33.68 3 0 13.25 -999 ? CO CO B 601 >GLN.B 32 -43.49 19.56 38.65 -44.31 17.64 38.13 -43.90 18.60 38.39 2 0 14.57 -999 ? CO CO B 601 >LYS.B 33 -46.07 24.11 39.10 -51.77 24.10 41.46 -48.92 24.11 40.28 2 0 6.40 -999 ? CO CO B 601 >THR~B 34 -43.72 26.71 40.56 -42.69 27.30 38.76 -43.21 27.01 39.66 2 0 16.26 -999 ? CO CO B 601 >LYS~B 35 -44.14 29.16 43.41 -43.00 32.97 46.85 -43.57 31.07 45.13 2 0 19.21 -999 ? CO CO B 601 >GLU~B 36 -42.58 32.67 39.96 -42.87 34.72 40.48 -42.72 33.70 40.22 2 0 19.67 -999 ? CO CO B 601 >THR~B 37 -47.78 29.73 39.17 -46.78 28.99 37.39 -47.28 29.36 38.28 2 0 13.69 -999 ? CO CO B 601 >GLN~B 38 -48.94 27.06 44.75 -48.04 27.50 46.64 -48.49 27.28 45.70 2 0 12.35 -999 ? CO CO B 601 >SER.B 39 -52.49 29.24 42.24 -52.45 31.01 43.90 -52.47 30.12 43.07 2 0 10.78 -999 ? CO CO B 601 >VAL.B 40 -53.29 27.81 38.81 -52.25 27.77 36.92 -52.77 27.79 37.87 3 0 8.50 -999 ? CO CO B 601 >ASP^B 41 -57.69 26.03 39.04 -58.88 25.08 40.49 -58.28 25.56 39.77 2 0 -3.42 -999 ? CO CO B 601s >PHE^B 42 -53.16 21.39 37.83 -50.60 22.14 37.01 -51.88 21.76 37.42 3 0 -7.19 -999 ? CO CO B 601s >LYS^B 43 -58.96 20.29 36.86 -62.45 20.16 41.00 -60.71 20.23 38.93 2 0 5.01 -999 ? CO CO B 601 >GLU.B 44 -59.44 14.32 35.46 -58.76 12.61 36.51 -59.10 13.46 35.98 2 0 10.65 -999 ? CO CO B 601 >GLU.B 45 -64.18 15.73 31.22 -64.23 15.52 29.11 -64.21 15.63 30.16 2 0 15.36 -999 ? CO CO B 601 >ALA.B 46 -65.14 14.46 35.53 -66.00 15.15 36.58 -65.57 14.81 36.05 2 0 11.74 -999 ? CO CO B 601 >GLY.B 47 -67.12 11.33 34.63 -66.36 11.39 34.44 -66.74 11.36 34.54 1 0 15.72 -999 ? CO CO B 601 >ARG.B 48 -63.52 11.37 29.80 -60.86 12.36 28.69 -62.19 11.86 29.24 2 0 16.29 -999 ? CO CO B 601 >ARG^B 49 -59.99 8.21 36.82 -56.93 8.38 36.65 -58.46 8.30 36.73 2 0 14.46 -999 ? CO CO B 601 >ASN^B 50 -63.61 3.17 33.85 -65.21 1.77 33.55 -64.41 2.47 33.70 2 0 22.94 -999 ? CO CO B 601 >GLY.B 51 -61.20 2.58 38.09 -60.92 3.07 37.47 -61.06 2.82 37.78 1 0 19.99 -999 ? CO CO B 601 >PRO.B 52 -58.52 -0.21 36.09 -58.35 1.81 37.01 -58.43 0.80 36.55 3 0 21.75 -999 ? CO CO B 601 >GLN^B 53 -59.64 1.02 32.37 -61.01 0.82 30.74 -60.32 0.92 31.56 2 0 23.94 -999 ? CO CO B 601 >ILE^B 54 -59.33 7.57 32.22 -58.09 8.33 32.59 -58.71 7.95 32.41 3 0 16.73 -999 ? CO CO B 601 >GLU.B 55 -64.75 5.43 29.94 -64.24 3.70 28.82 -64.50 4.57 29.38 2 0 23.14 -999 ? CO CO B 601 >PRO.B 56 -63.40 7.00 24.99 -62.26 8.15 26.50 -62.83 7.58 25.75 3 0 21.91 -999 ? CO CO B 601 >GLY.B 57 -63.08 12.29 26.05 -63.22 11.81 25.44 -63.15 12.05 25.74 1 0 18.97 -999 ? CO CO B 601 >LYS.B 58 -66.38 13.10 24.42 -68.66 9.02 22.56 -67.52 11.06 23.49 2 0 25.37 -999 ? CO CO B 601 >PRO.B 59 -68.22 15.36 21.23 -66.98 15.83 23.02 -67.60 15.60 22.12 3 0 22.61 -999 ? CO CO B 601 >GLU.B 60 -71.63 18.48 23.60 -73.20 18.38 22.19 -72.41 18.43 22.90 2 0 24.94 -999 ? CO CO B 601 >ASN~B 61 -69.08 15.63 29.26 -69.33 14.42 30.98 -69.21 15.03 30.12 2 0 17.32 -999 ? CO CO B 601 >PRO~B 62 -74.43 15.93 30.40 -72.78 17.40 30.38 -73.60 16.66 30.39 3 0 20.02 -999 ? CO CO B 601 >GLU~B 63 -70.83 14.50 35.64 -70.56 12.45 36.02 -70.70 13.48 35.83 2 0 16.83 -999 ? CO CO B 601 >ALA~B 64 -68.26 17.82 33.61 -67.25 17.47 32.54 -67.76 17.65 33.08 2 0 13.76 -999 ? CO CO B 601 >ALA~B 65 -69.99 21.06 32.65 -71.13 21.20 31.67 -70.56 21.13 32.16 2 0 16.56 -999 ? CO CO B 601 >ASP~B 66 -72.30 19.99 36.77 -74.29 20.07 36.04 -73.29 20.03 36.41 2 0 17.46 -999 ? CO CO B 601 >LYS~B 67 -68.20 20.43 38.13 -69.66 17.15 41.19 -68.93 18.79 39.66 2 0 12.80 -999 ? CO CO B 601 >LEU~B 68 -66.14 22.88 34.43 -64.43 21.54 34.38 -65.29 22.21 34.40 3 0 10.30 -999 ? CO CO B 601 >ALA~B 69 -69.23 25.53 36.26 -70.70 25.24 36.00 -69.97 25.39 36.13 2 0 14.38 -999 ? CO CO B 601 >ASP~B 70 -69.24 23.91 40.81 -71.28 23.46 41.10 -70.26 23.68 40.96 2 0 13.56 -999 ? CO CO B 601 >GLU~B 71 -62.79 24.74 39.69 -62.35 23.94 41.62 -62.57 24.34 40.66 2 0 4.95 -999 ? CO CO B 601 >VAL~B 72 -65.42 28.59 37.65 -65.71 28.86 35.51 -65.56 28.72 36.58 3 0 11.38 -999 ? CO CO B 601 >ALA~B 73 -67.71 30.31 40.13 -69.04 29.82 40.63 -68.38 30.06 40.38 2 0 13.72 -999 ? CO CO B 601 >CSS~B 74 -65.14 29.63 42.90 -64.96 27.24 44.37 -65.05 28.44 43.64 2 0 9.34 -999 ? CO CO B 601 >MET?B 75 -62.50 31.39 40.94 -59.26 30.52 40.41 -60.88 30.96 40.67 2 0 8.73 -999 ? CO CO B 601 >ALA~B 76 -64.69 34.23 39.80 -65.95 34.06 38.99 -65.32 34.15 39.40 2 0 14.78 -999 ? CO CO B 601 >ASN~B 77 -66.44 33.65 44.29 -68.44 33.34 43.66 -67.44 33.49 43.97 2 0 15.71 -999 ? CO CO B 601 >THR~B 78 -62.15 35.05 44.79 -60.60 33.64 44.31 -61.38 34.34 44.55 2 0 12.32 -999 ? CO CO B 601 >PRO.B 79 -60.08 38.39 46.48 -61.00 37.93 44.49 -60.54 38.16 45.48 3 0 16.33 -999 ? CL CL B 584 >GLY.B 80 -58.44 38.72 41.13 -59.08 38.22 41.17 -58.76 38.47 41.15 1 0 16.76 -999 ? CO CO B 601 >GLY.B 81 -60.02 35.61 39.66 -59.27 35.76 40.02 -59.65 35.69 39.84 1 0 13.93 -999 ? CO CO B 601 >GLY^B 82 -57.61 33.00 38.35 -58.26 33.06 37.80 -57.94 33.03 38.08 1 0 11.46 -999 ? CO CO B 601 >ALA^B 83 -57.03 30.42 35.61 -55.83 30.68 34.74 -56.43 30.55 35.17 2 0 11.18 -999 ? CO CO B 601 >LEU^B 84 -59.49 26.44 35.26 -60.85 26.89 36.86 -60.17 26.66 36.06 3 0 7.55 -999 ? CO CO B 601 >ILE^B 85 -55.02 23.83 33.24 -53.67 24.06 32.59 -54.35 23.94 32.91 3 0 9.45 -999 ? CO CO B 601 >VAL^B 86 -58.94 21.25 32.29 -61.03 21.39 31.97 -59.98 21.32 32.13 3 0 9.62 -999 ? CO CO B 601 >GLY.B 87 -57.26 18.00 31.42 -57.00 18.31 32.14 -57.13 18.15 31.78 1 0 10.83 -999 ? CO CO B 601 >ILE.B 88 -53.80 19.20 34.45 -53.30 19.41 33.79 -53.55 19.30 34.12 3 0 8.91 -999 ? CO CO B 601 >GLU.B 89 -54.66 13.57 38.69 -53.96 11.57 38.70 -54.31 12.57 38.69 2 0 11.44 -999 ? CO CO B 601 >ASP.B 90 -56.32 17.78 41.39 -56.10 19.17 42.97 -56.21 18.48 42.18 2 0 -3.61 -999 ? CO CO B 601s >LYS.B 91 -51.98 17.62 42.85 -55.97 18.38 46.54 -53.97 18.00 44.70 2 0 6.48 -999 ? CO CO B 601 >THR.B 92 -50.06 15.20 40.57 -51.37 13.54 40.15 -50.72 14.37 40.36 2 0 10.70 -999 ? CO CO B 601 >GLY.B 93 -50.06 17.32 37.44 -50.17 16.51 37.39 -50.12 16.92 37.41 1 0 9.91 -999 ? CO CO B 601 >ARG.B 94 -51.38 11.20 37.06 -49.96 8.76 38.24 -50.67 9.98 37.65 2 0 15.71 -999 ? CO CO B 601 >ILE.B 95 -50.99 15.32 30.44 -50.38 15.89 30.21 -50.68 15.60 30.32 3 0 14.69 -999 ? CO CO B 601 >ILE.B 96 -56.27 13.48 32.09 -56.41 12.08 32.61 -56.34 12.78 32.35 3 0 13.05 -999 ? CO CO B 601 >GLY.B 97 -56.69 15.44 28.24 -57.15 15.36 28.88 -56.92 15.40 28.56 1 0 14.81 -999 ? CO CO B 601 >THR.B 98 -60.05 16.91 27.21 -60.82 18.33 28.59 -60.43 17.62 27.90 2 0 13.73 -999 ? CO CO B 601 >GLU.B 99 -61.29 14.40 23.36 -59.75 15.17 22.10 -60.52 14.79 22.73 2 0 20.63 -999 ? CO CO B 601 >LEU.B 100 -65.01 19.67 26.65 -66.00 18.70 28.30 -65.50 19.18 27.47 3 0 16.23 -999 ? CO CO B 601 >ASP~B 101 -67.15 21.43 21.80 -67.43 23.00 20.41 -67.29 22.22 21.10 2 0 23.18 -999 ? CO CO B 601 >ILE~B 102 -64.19 26.18 22.62 -63.10 26.77 23.50 -63.65 26.48 23.06 3 0 19.84 -999 ? CO CO B 601 >ASP~B 103 -68.71 27.06 20.83 -67.62 28.49 19.73 -68.16 27.77 20.28 2 0 24.73 -999 ? CO CO B 601 >TRP~B 104 -72.56 21.76 24.25 -71.04 20.08 27.47 -71.80 20.92 25.86 3 0 21.00 -999 ? CO CO B 601 >LEU~B 105 -67.18 23.92 27.50 -66.39 23.32 29.40 -66.78 23.62 28.45 3 0 15.91 -999 ? CO CO B 601 >ARG~B 106 -66.24 30.35 26.26 -66.59 33.40 26.21 -66.42 31.88 26.23 2 0 20.99 -999 ? CO CO B 601 >GLN~B 107 -74.79 27.73 25.59 -75.57 29.71 25.84 -75.18 28.72 25.71 2 0 24.90 -999 ? CO CO B 601 >GLY~B 108 -73.01 25.25 29.00 -72.71 26.00 29.14 -72.86 25.63 29.07 1 0 19.94 -999 ? CO CO B 601 >ILE~B 109 -69.76 27.40 32.02 -68.45 27.25 32.66 -69.10 27.33 32.34 3 0 15.48 -999 ? CO CO B 601 >PHE~B 110 -73.58 32.26 29.55 -75.09 34.61 29.34 -74.34 33.44 29.45 3 0 19.70 -999 ? CL CL B 584 >THR~B 111 -76.32 28.87 31.23 -77.57 27.68 29.91 -76.95 28.27 30.57 2 0 23.60 -999 ? CO CO B 601 >ARG~B 112 -73.62 24.77 33.62 -74.36 22.19 32.17 -73.99 23.48 32.90 2 0 18.99 -999 ? CO CO B 601 >ILE.B 113 -72.29 29.67 36.29 -70.81 29.88 36.21 -71.55 29.77 36.25 3 0 16.64 -999 ? CO CO B 601 >ASP.B 114 -75.14 34.28 35.28 -77.24 34.16 34.96 -76.19 34.22 35.12 2 0 16.65 -999 ? CL CL B 584 >VAL.B 115 -70.71 33.84 33.23 -69.17 33.49 34.76 -69.94 33.67 34.00 3 0 17.10 -999 ? CL CL B 584 >ALA.B 116 -68.85 32.76 30.08 -69.47 33.05 28.73 -69.16 32.90 29.40 2 0 20.52 -999 ? CO CO B 601 >PRO.B 117 -65.60 30.49 31.81 -65.84 32.48 30.86 -65.72 31.48 31.34 3 0 15.99 -999 ? CO CO B 601 >ASP^B 118 -61.68 33.98 27.79 -62.68 35.84 27.58 -62.18 34.91 27.68 2 0 20.23 -999 ? CO CO B 601 >VAL^B 119 -61.38 29.31 27.32 -62.57 27.50 27.05 -61.97 28.41 27.19 3 0 16.21 -999 ? CO CO B 601 >VAL^B 120 -58.59 28.40 24.91 -57.22 30.06 25.23 -57.90 29.23 25.07 3 0 17.94 -999 ? CO CO B 601 >ALA^B 121 -57.32 25.05 23.65 -57.91 24.33 22.45 -57.61 24.69 23.05 2 0 19.17 -999 ? CO CO B 601 >LYS^B 122 -53.67 24.13 24.16 -52.77 29.27 24.87 -53.22 26.70 24.51 2 0 18.83 -999 ? CO CO B 601 >ARG^B 123 -52.90 19.86 20.22 -55.05 17.66 20.28 -53.98 18.76 20.25 2 0 21.81 -999 ? CO CO B 601 >VAL.B 124 -48.97 19.62 26.04 -50.03 19.29 27.90 -49.50 19.46 26.97 3 0 16.91 -999 ? CO CO B 601 >LEU.B 125 -46.84 15.23 26.34 -45.74 16.51 27.69 -46.29 15.87 27.02 3 0 19.47 -999 ? CO CO B 601 >GLY.B 126 -49.72 15.94 22.41 -50.01 16.16 23.16 -49.86 16.05 22.79 1 0 21.58 -999 ? CO CO B 601 >GLN.B 127 -52.28 14.00 26.28 -53.82 12.73 25.54 -53.05 13.36 25.91 2 0 18.86 -999 ? CO CO B 601 >ARG^B 128 -58.51 19.39 22.10 -61.12 20.83 22.85 -59.82 20.11 22.48 2 0 18.95 -999 ? CO CO B 601 >VAL^B 129 -56.18 20.71 27.52 -54.21 20.51 28.42 -55.20 20.61 27.97 3 0 13.83 -999 ? CO CO B 601 >LEU^B 130 -60.04 23.62 28.00 -60.45 22.55 26.18 -60.24 23.08 27.09 3 0 14.64 -999 ? CO CO B 601 >ALA^B 131 -57.13 26.79 29.66 -55.91 27.55 29.17 -56.52 27.17 29.42 2 0 13.64 -999 ? CO CO B 601 >ILE^B 132 -61.22 27.82 31.94 -62.50 27.15 31.89 -61.86 27.48 31.92 3 0 11.75 -999 ? CO CO B 601 >TYR^B 133 -57.42 32.48 30.69 -55.02 31.47 29.65 -56.22 31.98 30.17 3 0 15.18 -999 ? CO CO B 601 >VAL^B 134 -61.91 33.78 34.52 -62.81 32.81 36.25 -62.36 33.30 35.39 3 0 13.64 -999 ? CO CO B 601 >ALA.B 135 -61.96 37.36 35.83 -62.19 38.55 34.92 -62.07 37.95 35.38 2 0 16.10 -999 ? CL CL B 584 >ALA.B 136 -63.13 38.46 39.30 -62.34 39.38 40.21 -62.73 38.92 39.75 2 0 13.91 -999 ? CL CL B 584 >ALA.B 137 -66.90 38.96 39.27 -67.93 37.90 39.62 -67.42 38.43 39.45 2 0 11.87 -999 ? CL CL B 584 >ALA.B 138 -68.42 42.35 40.08 -69.04 43.28 39.05 -68.73 42.81 39.57 2 0 7.02 -999 ? CL CL B 584 >GLU.B 139 -72.58 40.30 40.95 -74.67 40.40 40.81 -73.63 40.35 40.88 2 0 8.47 -999 ? CL CL B 584 >PRO.B 140 -72.47 38.05 45.66 -70.97 37.80 44.03 -71.72 37.93 44.85 3 0 11.03 -999 ? CL CL B 584 >ILE.B 141 -70.45 33.99 40.49 -71.07 34.64 39.44 -70.76 34.31 39.97 3 0 14.49 -999 ? CL CL B 584 >GLU.B 142 -75.34 32.79 44.30 -76.94 32.49 45.62 -76.14 32.64 44.96 2 0 17.00 -999 ? CL CL B 584 >ASP.B 143 -71.82 27.19 42.23 -72.51 26.14 43.92 -72.17 26.67 43.07 2 0 15.47 -999 ? CO CO B 601 >THR.B 144 -75.18 25.11 40.60 -74.02 23.71 39.53 -74.60 24.41 40.07 2 0 16.42 -999 ? CO CO B 601 >SER.B 145 -76.04 24.66 44.27 -74.73 22.59 44.41 -75.39 23.63 44.34 2 0 17.18 -999 ? CO CO B 601 >ASP.B 146 -78.33 28.21 45.63 -79.69 29.01 44.23 -79.01 28.61 44.93 2 0 20.88 -999 ? CL CL B 584 >ARG.B 147 -72.24 24.75 47.22 -70.63 22.36 46.18 -71.43 23.55 46.70 2 0 13.66 -999 ? CO CO B 601 >LEU.B 148 -71.49 32.44 46.99 -71.16 34.09 48.31 -71.33 33.27 47.65 3 0 16.34 -999 ? CL CL B 584 >ARG^B 149 -68.87 26.67 47.27 -67.29 24.07 47.51 -68.08 25.37 47.39 2 0 11.43 -999 ? CO CO B 601 >TRP^B 150 -63.34 31.93 49.42 -63.10 35.74 50.36 -63.22 33.84 49.89 3 0 15.51 -999 ? CO CO B 601 >ARG^B 151 -59.69 27.32 44.30 -56.85 26.99 43.11 -58.27 27.15 43.71 2 0 5.35 -999 ? CO CO B 601 >VAL.B 152 -58.19 29.27 49.06 -58.88 29.43 51.14 -58.54 29.35 50.10 3 0 11.36 -999 ? CO CO B 601 >GLY.B 153 -55.77 26.37 48.90 -56.37 26.55 48.31 -56.07 26.46 48.61 1 0 8.86 -999 ? CO CO B 601 >ASP.B 154 -55.24 22.73 45.87 -55.67 21.69 44.12 -55.46 22.21 44.99 2 0 -3.41 -999 ? CO CO B 601s >SER.B 155 -59.56 23.60 47.07 -59.04 21.34 47.75 -59.30 22.47 47.41 2 0 6.43 -999 ? CO CO B 601 >CSS^B 156 -62.22 26.24 47.56 -63.42 26.04 44.93 -62.82 26.14 46.24 2 0 7.74 -999 ? CO CO B 601 >ARG^B 157 -61.46 26.75 53.33 -61.87 27.93 56.15 -61.67 27.34 54.74 2 0 15.72 -999 ? CL CL A 585 >PRO^B 158 -67.96 27.08 52.92 -67.05 28.27 51.29 -67.50 27.67 52.11 3 0 15.47 -999 ? CO CO B 601 >VAL.B 159 -67.90 32.40 52.31 -66.30 33.18 51.14 -67.10 32.79 51.72 3 0 17.55 -999 ? CO CO B 601 >ASP~B 160 -70.87 34.86 55.11 -69.30 35.72 56.26 -70.09 35.29 55.69 2 0 18.70 -999 ? CL CL A 585 >ARG~B 161 -74.99 37.97 49.97 -75.71 36.39 47.44 -75.35 37.18 48.71 2 0 13.67 -999 ? CL CL B 584 >ALA~B 162 -70.38 39.86 54.82 -70.59 39.43 56.24 -70.49 39.65 55.53 2 0 17.04 -999 ? CL CL B 584 >GLU~B 163 -64.61 37.67 55.03 -63.62 35.76 54.99 -64.12 36.71 55.01 2 0 14.79 -999 ? CL CL A 585 >TRP~B 164 -66.83 36.80 47.75 -68.14 39.61 45.35 -67.49 38.21 46.55 3 0 12.42 -999 ? CL CL B 584 >TRP~B 165 -71.43 41.61 49.41 -70.88 43.35 45.94 -71.15 42.48 47.68 3 0 8.44 -999 ? CL CL B 584 >GLU~B 166 -65.25 42.34 54.40 -64.98 42.18 56.49 -65.12 42.26 55.45 2 0 15.62 -999 ? CL CL A 585 >TYR~B 167 -61.88 39.97 51.49 -59.86 39.37 53.36 -60.87 39.67 52.43 3 0 15.12 -999 ? CL CL A 585 >GLN~B 168 -66.63 43.72 46.25 -66.24 45.07 44.63 -66.43 44.39 45.44 2 0 7.76 -999 ? CL CL B 584 >ARG~B 169 -67.41 47.19 50.88 -70.00 45.84 51.79 -68.70 46.51 51.34 2 0 10.51 -999 ? CL CL B 584 >ALA~B 170 -60.94 46.44 49.31 -60.45 45.73 50.57 -60.69 46.09 49.94 2 0 15.18 -999 ? CL CL B 584 >GLN~B 171 -58.91 42.40 47.69 -57.56 40.89 48.37 -58.23 41.64 48.03 2 0 17.68 -999 ? CL CL A 585 >SER~B 172 -61.48 44.76 43.42 -62.30 42.48 43.71 -61.89 43.62 43.56 2 0 12.12 -999 ? CL CL B 584 >GLY.B 173 -63.06 47.12 40.92 -63.34 46.91 41.67 -63.20 47.01 41.30 1 0 9.75 -999 ? CL CL B 584 >PHE.B 174 -65.70 52.40 42.93 -67.61 54.06 44.13 -66.65 53.23 43.53 3 0 7.77 -999 ? CL CL B 584 >ASP~B 175 -69.22 47.86 43.22 -68.77 46.27 41.92 -69.00 47.07 42.57 2 0 4.49 -999 ? CL CL B 584 >PRO~B 176 -71.46 52.16 41.27 -70.25 51.89 43.11 -70.85 52.02 42.19 3 0 3.93 -999 ? CL CL B 584 >MET?B 177 -73.49 50.74 45.18 -76.57 51.86 44.96 -75.03 51.30 45.07 2 0 -5.94 -999 ? CL CL B 584s >ALA~B 178 -71.22 48.63 47.44 -70.33 47.52 46.92 -70.78 48.08 47.18 2 0 5.54 -999 ? CL CL B 584 >GLN~B 179 -68.74 54.27 48.42 -69.17 56.09 47.38 -68.95 55.18 47.90 2 0 9.92 -999 ? CL CL B 584 >VAL.B 180 -69.76 52.75 52.31 -68.52 52.01 53.95 -69.14 52.38 53.13 3 0 12.30 -999 ? CL CL B 584 >THR.B 181 -72.12 55.47 53.58 -74.06 54.66 53.14 -73.09 55.06 53.36 2 0 12.80 -999 ? CL CL B 584 >THR.B 182 -72.73 57.14 56.91 -72.50 59.25 56.52 -72.62 58.19 56.72 2 0 18.05 -999 ? CL CL B 584 >ALA.B 183 -76.03 55.36 57.51 -76.98 54.94 56.40 -76.50 55.15 56.95 2 0 16.35 -999 ? CL CL B 584 >THR~B 184 -75.88 53.19 60.63 -75.67 54.48 62.32 -75.78 53.84 61.48 2 0 21.40 -999 ? CL CL B 584 >LEU~B 185 -77.73 49.45 63.05 -78.76 47.75 63.87 -78.24 48.60 63.46 3 0 22.18 -999 ? CL CL B 584 >GLY~B 186 -80.56 52.90 63.50 -80.32 52.90 62.72 -80.44 52.90 63.11 1 0 23.33 -999 ? CL CL B 584 >ASP~B 187 -80.05 55.08 59.24 -79.03 56.69 60.17 -79.54 55.89 59.71 2 0 20.93 -999 ? CL CL B 584 >ALA~B 188 -82.86 51.27 59.01 -82.31 49.88 59.24 -82.58 50.57 59.13 2 0 19.82 -999 ? CL CL B 584 >ARG~B 189 -87.83 54.23 56.38 -90.69 55.09 56.97 -89.26 54.66 56.68 2 0 24.35 -999 ? CL CL B 584 >PRO~B 190 -89.38 50.55 62.01 -87.98 49.45 60.71 -88.68 50.00 61.36 3 0 25.18 -999 ? CL CL B 584 >ALA~B 191 -90.91 48.68 58.24 -91.57 49.90 57.60 -91.24 49.29 57.92 2 0 24.56 -999 ? CL CL B 584 >ALA~B 192 -88.31 47.63 55.68 -87.09 48.46 55.30 -87.70 48.04 55.49 2 0 19.63 -999 ? CL CL B 584 >LEU~B 193 -86.32 45.26 59.39 -84.29 45.81 59.83 -85.30 45.53 59.61 3 0 21.90 -999 ? CL CL B 584 >ALA~B 194 -90.38 43.69 58.55 -91.55 44.56 58.94 -90.96 44.12 58.75 2 0 24.23 -999 ? CO CO A 601 >LEU~B 195 -90.79 44.38 53.78 -92.41 45.67 53.27 -91.60 45.03 53.53 3 0 22.46 -999 ? CL CL B 584 >ALA~B 196 -87.40 41.72 54.63 -86.15 42.34 55.22 -86.78 42.03 54.92 2 0 19.89 -999 ? CL CL B 584 >ARG~B 197 -88.17 40.41 60.60 -85.42 40.01 61.82 -86.79 40.21 61.21 2 0 16.82 -999 ? CO CO A 601 >LYS~B 198 -91.79 38.44 55.13 -96.35 41.76 52.80 -94.07 40.10 53.97 2 0 26.91 -999 ? CL CL B 584 >TRP~B 199 -92.13 39.52 50.14 -90.72 43.18 50.40 -91.43 41.35 50.27 3 0 21.74 -999 ? CL CL B 584 >ASP~B 200 -86.25 35.80 52.95 -84.90 34.21 52.82 -85.58 35.01 52.88 2 0 20.58 -999 ? CO CO A 601 >PRO~B 201 -89.32 31.84 55.08 -88.54 33.76 55.87 -88.93 32.80 55.47 3 0 19.23 -999 ? CO CO A 601 >ALA~B 202 -84.99 32.46 56.87 -83.98 32.36 55.73 -84.48 32.41 56.30 2 0 17.11 -999 ? CO CO A 601 >PHE~B 203 -83.48 37.10 56.68 -82.21 37.07 54.19 -82.85 37.08 55.44 3 0 19.04 -999 ? CO CO A 601 >ALA~B 204 -86.89 34.88 61.22 -87.90 33.75 61.08 -87.40 34.32 61.15 2 0 14.62 -999 ? CO CO A 601 >GLU~B 205 -84.39 31.61 64.83 -83.80 29.58 64.76 -84.10 30.60 64.80 2 0 8.15 -999 ? CO CO A 601 >LEU~B 206 -80.73 36.77 62.32 -80.76 35.93 60.35 -80.75 36.35 61.33 3 0 13.61 -999 ? CO CO A 601 >THR~B 207 -81.76 40.30 64.92 -80.06 40.43 66.23 -80.91 40.36 65.58 2 0 14.02 -999 ? CO CO A 601 >ASP~B 208 -82.90 44.67 63.17 -85.02 44.55 63.45 -83.96 44.61 63.31 2 0 19.59 -999 ? CO CO A 601 >GLU~B 209 -76.16 44.23 63.99 -74.97 44.35 65.75 -75.56 44.29 64.87 2 0 18.54 -999 ? CO CO A 601 >GLU~B 210 -78.39 38.85 63.67 -78.02 37.37 65.13 -78.21 38.11 64.40 2 0 11.98 -999 ? CO CO A 601 >LEU~B 211 -81.34 40.83 59.45 -82.88 41.10 57.95 -82.11 40.96 58.70 3 0 18.80 -999 ? CO CO A 601 >LEU~B 212 -78.51 44.98 58.21 -80.14 46.36 57.94 -79.33 45.67 58.08 3 0 17.65 -999 ? CL CL B 584 >ARG~B 213 -72.03 41.42 60.40 -72.59 43.58 62.52 -72.31 42.50 61.46 2 0 19.90 -999 ? CO CO A 601 >GLY~B 214 -75.91 38.80 56.64 -75.95 39.52 56.28 -75.93 39.16 56.46 1 0 17.89 -999 ? CL CL B 584 >ILE~B 215 -78.48 40.95 53.15 -79.77 41.42 53.74 -79.13 41.18 53.44 3 0 15.07 -999 ? CL CL B 584 >GLY.B 216 -73.91 42.21 53.17 -74.60 42.56 53.41 -74.26 42.39 53.29 1 0 12.91 -999 ? CL CL B 584 >ALA.B 217 -75.58 45.56 53.74 -77.06 45.78 53.85 -76.32 45.67 53.80 2 0 12.95 -999 ? CL CL B 584 >LEU.B 218 -74.64 45.73 58.47 -74.52 47.05 60.16 -74.58 46.39 59.32 3 0 17.57 -999 ? CL CL B 584 >ASP.B 219 -69.88 48.48 57.57 -68.16 48.70 56.43 -69.02 48.59 57.00 2 0 15.12 -999 ? CL CL B 584 >ALA.B 220 -67.93 45.77 60.08 -66.53 45.33 59.72 -67.23 45.55 59.90 2 0 16.73 -999 ? CL CL A 585 >GLU.B 221 -65.69 50.58 61.04 -64.65 49.44 59.60 -65.17 50.01 60.32 2 0 17.80 -999 ? CL CL A 585 >GLY.B 222 -71.61 49.35 61.47 -71.22 49.73 60.85 -71.42 49.54 61.16 1 0 19.53 -999 ? CL CL B 584 >PHE.B 223 -70.46 53.16 58.77 -69.55 54.99 60.69 -70.00 54.07 59.73 3 0 18.77 -999 ? CL CL B 584 >LEU.B 224 -76.17 51.04 55.58 -77.81 50.22 56.65 -76.99 50.63 56.12 3 0 14.93 -999 ? CL CL B 584 >SER~B 225 -73.43 50.16 52.06 -74.41 48.14 51.06 -73.92 49.15 51.56 2 0 9.25 -999 ? CL CL B 584 >GLN~B 226 -74.75 54.09 47.51 -74.41 55.92 48.55 -74.58 55.01 48.03 2 0 10.03 -999 ? CL CL B 584 >ALA~B 227 -77.27 49.76 48.40 -76.87 48.42 47.83 -77.07 49.09 48.11 2 0 7.20 -999 ? CL CL B 584 >GLY~B 228 -78.21 48.80 51.95 -78.22 49.54 51.56 -78.21 49.17 51.76 1 0 11.41 -999 ? CL CL B 584 >LYS~B 229 -78.91 52.48 52.66 -77.01 58.57 52.47 -77.96 55.52 52.57 2 0 15.15 -999 ? CL CL B 584 >LEU~B 230 -80.63 53.03 48.18 -81.51 52.62 46.25 -81.07 52.83 47.22 3 0 10.79 -999 ? CL CL B 584 >LEU~B 231 -82.34 48.42 50.07 -82.66 47.49 48.14 -82.50 47.96 49.11 3 0 12.16 -999 ? CL CL B 584 >PHE~B 232 -82.84 47.80 54.74 -82.97 45.08 54.10 -82.91 46.44 54.42 3 0 16.25 -999 ? CL CL B 584 >THR~B 233 -83.44 53.92 54.65 -81.76 54.98 55.47 -82.60 54.45 55.06 2 0 17.50 -999 ? CL CL B 584 >SER.B 234 -85.73 56.73 53.55 -86.78 57.24 55.67 -86.25 56.98 54.61 2 0 21.50 -999 ? CL CL B 584 >LEU.B 235 -84.62 57.18 48.85 -86.48 56.75 47.89 -85.55 56.97 48.37 3 0 16.68 -999 ? CL CL B 584 >ASP.B 236 -85.29 62.08 51.24 -84.91 61.85 53.31 -85.10 61.96 52.28 2 0 21.35 -999 ? CL CL B 584 >ARG.B 237 -85.58 61.37 44.38 -83.37 59.38 43.56 -84.47 60.37 43.97 2 0 15.33 -999 ? CL CL B 584 >THR.B 238 -90.43 59.02 45.20 -92.44 59.26 44.45 -91.44 59.14 44.83 2 0 22.64 -999 ? CL CL B 584 >ALA.B 239 -88.66 56.04 43.71 -88.12 54.91 44.57 -88.39 55.47 44.14 2 0 16.93 -999 ? CL CL B 584 >ILE^B 240 -91.39 53.04 41.76 -91.93 51.72 41.80 -91.66 52.38 41.78 3 0 19.39 -999 ? CL CL B 584 >GLU^B 241 -94.42 57.85 40.21 -94.71 59.93 40.14 -94.56 58.89 40.17 2 0 24.89 -999 ? CL CL B 584 >LEU^B 242 -98.97 53.04 40.23 -100.29 51.65 39.24 -99.63 52.35 39.74 3 0 27.34 -999 ? CL CL B 584 >SER^B 243 -100.45 56.24 37.23 -98.61 57.80 36.93 -99.53 57.02 37.08 2 0 28.02 -999 ? CL CL B 584 >ILE^B 244 -104.75 54.08 37.13 -105.35 53.03 37.88 -105.05 53.55 37.50 3 0 33.09 -999 ? CL CL B 584 >PHE^B 245 -103.03 56.81 31.68 -101.06 58.81 31.90 -102.04 57.81 31.79 3 0 32.46 -999 ? CL CL B 584 >ASP.B 246 -109.34 56.06 30.85 -111.28 55.27 30.88 -110.31 55.66 30.87 2 0 40.75 -999 ? CL CL B 584 >VAL.B 247 -106.98 54.75 27.27 -108.10 55.56 25.63 -107.54 55.16 26.45 3 0 38.76 -999 ? CL CL B 584 >HIS.B 248 -101.56 54.94 24.21 -99.50 55.31 24.05 -100.53 55.13 24.13 3 0 33.76 -999 ? CL CL B 584 >GLY.B 249 -103.53 59.24 25.75 -103.91 58.89 26.42 -103.72 59.06 26.08 1 0 36.49 -999 ? CL CL B 584 >GLY.B 250 -104.44 61.29 28.81 -104.66 60.55 28.62 -104.55 60.92 28.72 1 0 36.70 -999 ? CL CL B 584 >GLN.B 251 -109.70 59.58 30.56 -110.82 61.37 30.19 -110.26 60.47 30.38 2 0 41.96 -999 ? CL CL B 584 >VAL^B 252 -105.75 60.09 34.48 -104.00 61.07 35.34 -104.87 60.58 34.91 3 0 35.12 -999 ? CL CL B 584 >LEU^B 253 -108.54 56.35 35.90 -110.20 55.45 34.84 -109.37 55.90 35.37 3 0 38.03 -999 ? CL CL B 584 >ASN^B 254 -106.66 56.53 40.20 -106.52 56.81 42.32 -106.59 56.67 41.26 2 0 34.86 -999 ? CL CL B 584 >ARG^B 255 -100.05 61.18 40.01 -98.92 61.53 37.16 -99.48 61.36 38.59 2 0 29.70 -999 ? CL CL B 584 >VAL^B 256 -100.75 56.57 43.55 -100.54 54.45 43.98 -100.64 55.51 43.76 3 0 28.90 -999 ? CL CL B 584 >VAL.B 257 -97.42 57.74 44.92 -97.58 59.80 44.26 -97.50 58.77 44.59 3 0 27.00 -999 ? CL CL B 584 >PRO.B 258 -93.94 55.59 46.40 -95.73 56.57 47.29 -94.83 56.08 46.84 3 0 23.93 -999 ? CL CL B 584 >GLU.B 259 -96.42 58.91 52.40 -97.45 57.06 52.41 -96.94 57.99 52.41 2 0 28.22 -999 ? CL CL B 584 >PRO.B 260 -91.83 62.19 50.76 -91.58 60.00 50.41 -91.71 61.10 50.59 3 0 24.39 -999 ? CL CL B 584 >GLU.B 261 -91.60 60.51 55.10 -93.60 60.45 54.36 -92.60 60.48 54.73 2 0 27.09 -999 ? CL CL B 584 >LYS.B 262 -90.44 55.16 52.78 -96.45 53.04 52.67 -93.45 54.10 52.72 2 0 26.47 -999 ? CL CL B 584 >SER~B 263 -87.43 53.05 51.65 -87.55 50.95 52.76 -87.49 52.00 52.20 2 0 18.54 -999 ? CL CL B 584 >CYH~B 264 -87.29 51.28 48.29 -85.31 52.23 46.65 -86.30 51.76 47.47 2 0 13.99 -999 ? CL CL B 584 >LEU~B 265 -87.77 47.36 51.08 -86.41 45.71 50.76 -87.09 46.53 50.92 3 0 17.09 -999 ? CL CL B 584 >GLU~B 266 -90.88 50.50 53.69 -90.52 52.05 55.05 -90.70 51.27 54.37 2 0 22.41 -999 ? CL CL B 584 >GLN~B 267 -91.18 54.26 48.32 -90.11 55.82 47.36 -90.65 55.04 47.84 2 0 19.67 -999 ? CL CL B 584 >LEU~B 268 -90.59 47.81 46.06 -90.17 46.26 44.62 -90.38 47.03 45.34 3 0 18.10 -999 ? CL CL B 584 >ASP~B 269 -94.11 46.78 49.85 -95.73 45.72 50.69 -94.92 46.25 50.27 2 0 24.83 -999 ? CL CL B 584 >TYR~B 270 -97.49 52.32 48.85 -99.68 54.00 49.35 -98.58 53.16 49.10 3 0 27.28 -999 ? CL CL B 584 >LEU~B 271 -95.40 50.10 43.58 -96.20 51.84 42.60 -95.80 50.97 43.09 3 0 23.30 -999 ? CL CL B 584 >GLU~B 272 -94.85 44.97 44.33 -93.73 43.30 45.07 -94.29 44.13 44.70 2 0 21.94 -999 ? CL CL B 584 >GLN~B 273 -99.12 47.04 49.23 -100.12 45.65 50.50 -99.62 46.35 49.86 2 0 28.90 -999 ? CL CL B 584 >ALA~B 274 -101.79 49.01 44.50 -101.23 50.38 44.15 -101.51 49.70 44.33 2 0 28.72 -999 ? CL CL B 584 >LEU~B 275 -99.50 46.90 40.85 -98.81 47.75 39.02 -99.15 47.33 39.94 3 0 26.61 -999 ? CL CL B 584 >ASN~B 276 -102.00 43.43 44.18 -102.87 41.51 44.53 -102.44 42.47 44.36 2 0 31.13 -999 ? CL CL B 584 >VAL~B 277 -105.71 45.75 43.02 -106.43 46.94 44.70 -106.07 46.35 43.86 3 0 33.54 -999 ? CL CL B 584 >VAL~B 278 -105.52 47.45 39.62 -104.46 49.22 39.03 -104.99 48.33 39.32 3 0 32.44 -999 ? CL CL B 584 >ASN~B 279 -103.83 43.05 38.54 -102.95 42.10 36.84 -103.39 42.57 37.69 2 0 31.40 -999 ? CL CL B 584 >LYS.B 280 -108.66 43.49 37.38 -111.17 47.59 35.02 -109.92 45.54 36.20 2 0 39.15 -999 ? CL CL B 584 >ASN.B 281 -108.21 39.46 39.12 -108.59 37.45 39.74 -108.40 38.45 39.43 2 0 37.67 -999 ? CL CL B 584 >VAL.B 293 -106.56 34.60 37.01 -105.89 33.10 35.58 -106.22 33.85 36.30 3 0 36.42 -999 ? CO CO D 601 >PRO.B 294 -103.58 37.77 37.63 -105.61 37.61 36.77 -104.60 37.69 37.20 3 0 34.07 -999 ? CL CL B 584 >GLU.B 295 -106.57 42.12 33.49 -107.35 43.58 32.21 -106.96 42.85 32.85 2 0 36.39 -999 ? CL CL B 584 >ILE.B 296 -100.45 41.58 33.40 -99.62 42.58 32.75 -100.04 42.08 33.08 3 0 29.51 -999 ? CL CL B 584 >PRO~B 297 -98.52 36.95 33.24 -99.92 37.81 34.74 -99.22 37.38 33.99 3 0 29.90 -999 ? CL CL B 584 >ARG~B 298 -100.42 39.62 41.04 -103.51 39.38 41.21 -101.97 39.50 41.13 2 0 32.20 -999 ? CL CL B 584 >LEU~B 299 -94.78 35.61 37.43 -92.87 34.67 37.21 -93.82 35.14 37.32 3 0 25.48 -999 ? CL CL B 584 >ALA~B 300 -94.56 39.18 34.96 -95.54 39.20 33.79 -95.05 39.19 34.38 2 0 26.04 -999 ? CL CL B 584 >VAL~B 301 -95.51 42.39 36.78 -97.40 43.31 37.34 -96.46 42.85 37.06 3 0 24.96 -999 ? CL CL B 584 >ARG~B 302 -93.31 39.31 42.92 -95.90 37.61 43.17 -94.60 38.46 43.04 2 0 25.71 -999 ? CL CL B 584 >GLU~B 303 -89.14 39.43 35.89 -88.30 38.31 37.50 -88.72 38.87 36.69 2 0 19.23 -999 ? CL CL B 584 >ALA~B 304 -90.92 44.29 35.36 -92.19 44.70 34.64 -91.56 44.50 35.00 2 0 21.22 -999 ? CL CL B 584 >MET?B 305 -90.99 46.09 38.71 -94.06 47.76 39.53 -92.53 46.92 39.12 2 0 21.56 -999 ? CL CL B 584 >LEU~B 306 -88.11 42.88 40.78 -88.40 42.49 42.85 -88.25 42.68 41.82 3 0 16.66 -999 ? CL CL B 584 >ASN~B 307 -86.56 44.41 35.85 -85.36 42.77 35.30 -85.96 43.59 35.57 2 0 15.47 -999 ? CL CL B 584 >ALA~B 308 -86.67 48.66 36.77 -88.01 49.34 36.54 -87.34 49.00 36.66 2 0 16.31 -999 ? CL CL B 584 >MET?B 309 -86.04 48.80 40.50 -87.96 50.42 42.69 -87.00 49.61 41.60 2 0 15.44 -999 ? CL CL B 584 >ILE~B 310 -82.36 45.72 40.19 -82.01 44.46 40.76 -82.18 45.09 40.47 3 0 10.25 -999 ? CL CL B 584 >HIS~B 311 -81.08 46.55 35.82 -80.68 44.52 36.15 -80.88 45.53 35.98 3 0 10.62 -999 ? CL CL B 584 >ARG~B 312 -84.95 54.30 40.04 -84.48 57.32 39.96 -84.71 55.81 40.00 2 0 14.87 -999 ? CL CL B 584 >ASP.B 313 -80.67 56.52 36.39 -78.85 57.52 35.99 -79.76 57.02 36.19 2 0 12.46 -999 ? CL CL B 584 >TRP.B 314 -80.82 52.57 41.48 -84.21 53.56 43.20 -82.51 53.06 42.34 3 0 10.85 -999 ? CL CL B 584 >ASN.B 315 -77.53 59.19 39.25 -75.81 59.24 40.52 -76.67 59.22 39.88 2 0 11.25 -999 ? CL CL B 584 >ARG.B 316 -81.35 59.54 34.64 -83.76 60.58 33.05 -82.56 60.06 33.85 2 0 18.67 -999 ? CL CL B 584 >SER.B 317 -84.69 62.64 39.83 -83.83 64.91 39.83 -84.26 63.78 39.83 2 0 19.94 -999 ? CL CL B 584 >GLU.B 318 -86.85 61.09 35.60 -85.50 62.66 35.22 -86.17 61.87 35.41 2 0 20.25 -999 ? CL CL B 584 >PRO.B 319 -90.22 59.83 41.01 -89.03 58.89 39.39 -89.62 59.36 40.20 3 0 20.21 -999 ? CL CL B 584 >ILE^B 320 -89.71 53.55 38.41 -89.09 52.25 38.29 -89.40 52.90 38.35 3 0 17.68 -999 ? CL CL B 584 >ASP^B 321 -93.14 56.81 34.86 -95.08 57.61 34.58 -94.11 57.21 34.72 2 0 25.30 -999 ? CL CL B 584 >VAL^B 322 -95.37 52.73 35.89 -95.90 51.29 37.46 -95.63 52.01 36.68 3 0 23.84 -999 ? CL CL B 584 >ARG^B 323 -97.32 55.35 31.03 -96.63 58.33 31.12 -96.98 56.84 31.08 2 0 28.09 -999 ? CL CL B 584 >TRP^B 324 -104.49 49.51 34.49 -103.11 45.85 34.89 -103.80 47.68 34.69 3 0 32.00 -999 ? CL CL B 584 >ILE^B 325 -103.55 51.14 29.09 -103.56 52.50 28.67 -103.55 51.82 28.88 3 0 33.72 -999 ? CL CL B 584 >GLU.B 326 -108.21 51.06 33.83 -108.61 49.33 34.99 -108.41 50.20 34.41 2 0 36.64 -999 ? CL CL B 584 >LEU.B 327 -109.19 50.55 27.12 -111.07 50.64 26.06 -110.13 50.60 26.59 3 0 40.57 -999 ? CL CL B 584 >ASP.B 328 -104.77 48.38 25.81 -105.30 50.29 25.11 -105.03 49.34 25.46 2 0 36.80 -999 ? CL CL B 584 >SER.B 329 -105.09 45.99 29.83 -107.19 44.78 29.69 -106.14 45.39 29.76 2 0 36.85 -999 ? CL CL B 584 >THR^B 330 -101.41 46.84 29.48 -101.44 47.81 27.54 -101.43 47.33 28.51 2 0 32.22 -999 ? CL CL B 584 >LEU^B 331 -98.39 46.98 33.00 -97.24 47.11 34.83 -97.82 47.05 33.92 3 0 26.47 -999 ? CL CL B 584 >ILE^B 332 -96.01 51.48 30.18 -96.18 52.10 28.91 -96.10 51.79 29.55 3 0 26.74 -999 ? CL CL B 584 >VAL^B 333 -92.64 50.92 33.20 -92.21 49.51 34.79 -92.43 50.22 33.99 3 0 21.39 -999 ? CL CL B 584 >ARG^B 334 -91.52 57.54 30.84 -93.28 57.37 28.32 -92.40 57.45 29.58 2 0 26.27 -999 ? CL CL B 584 >SER^B 335 -87.26 53.65 33.97 -85.42 52.21 34.66 -86.34 52.93 34.31 2 0 15.17 -999 ? CL CL B 584 >PRO^B 336 -85.06 56.45 36.43 -85.35 56.10 34.26 -85.20 56.28 35.34 3 0 16.17 -999 ? CL CL B 584 >GLY.B 337 -81.60 55.79 32.26 -82.33 55.62 31.87 -81.97 55.70 32.06 1 0 15.08 -999 ? CL CL B 584 >GLY.B 338 -80.80 53.65 29.23 -80.24 53.53 29.83 -80.52 53.59 29.53 1 0 15.97 -999 ? CL CL B 584 >PHE.B 339 -80.51 49.16 26.70 -83.07 48.18 26.17 -81.79 48.67 26.43 3 0 18.04 -999 ? CL CL B 584 >PRO.B 340 -75.87 48.52 30.64 -76.12 50.44 29.53 -75.99 49.48 30.09 3 0 12.40 -999 ? CL CL B 584 >ALA.B 341 -73.02 51.40 26.75 -71.98 52.52 26.81 -72.50 51.96 26.78 2 0 15.71 -999 ? CL CL B 584 >ALA.B 342 -72.57 47.77 25.65 -71.82 47.21 26.86 -72.20 47.49 26.26 2 0 15.21 -999 ? CL CL B 584 >ILE.B 343 -76.96 46.32 27.11 -76.64 44.97 27.52 -76.80 45.64 27.31 3 0 15.52 -999 ? CL CL B 584 >THR.B 344 -78.45 46.72 22.74 -78.11 45.80 20.78 -78.28 46.26 21.76 2 0 22.06 -999 ? CL CL B 584 >SER.B 345 -82.15 45.98 22.12 -84.43 46.67 21.53 -83.29 46.33 21.83 2 0 23.68 -999 ? CL CL B 584 >GLU.B 346 -81.37 43.02 17.82 -82.60 44.73 18.03 -81.98 43.88 17.92 2 0 26.22 -999 ? CL CL B 584 >ASN.B 347 -77.41 42.22 23.26 -76.12 41.05 24.48 -76.76 41.63 23.87 2 0 19.36 -999 ? CL CL B 584 >VAL.B 348 -81.23 41.70 26.38 -82.64 43.35 26.62 -81.94 42.53 26.50 3 0 19.03 -999 ? CL CL B 584 >LEU.B 349 -83.70 37.53 25.89 -85.40 38.37 24.87 -84.55 37.95 25.38 3 0 23.01 -999 ? CL CL B 584 >SER.B 350 -79.15 37.02 27.32 -77.87 37.81 25.41 -78.51 37.42 26.36 2 0 20.43 -999 ? CL CL B 584 >ASN.B 351 -77.48 41.38 28.74 -76.52 42.65 30.17 -77.00 42.02 29.45 2 0 13.76 -999 ? CL CL B 584 >ARG.B 352 -77.96 36.57 32.05 -80.15 34.95 30.62 -79.06 35.76 31.34 2 0 19.23 -999 ? CL CL B 584 >ALA.B 353 -74.58 42.27 33.54 -73.60 42.97 32.59 -74.09 42.62 33.06 2 0 10.96 -999 ? CL CL B 584 >ALA.B 354 -76.10 45.03 35.69 -76.61 44.52 37.01 -76.35 44.78 36.35 2 0 7.52 -999 ? CL CL B 584 >ARG.B 355 -77.00 52.28 36.33 -78.08 52.80 33.54 -77.54 52.54 34.94 2 0 10.91 -999 ? CL CL B 584 >TYR~B 356 -76.41 50.40 40.40 -76.51 53.07 39.65 -76.46 51.73 40.02 3 0 -5.34 -999 ? CL CL B 584s >PRO~B 357 -72.21 45.18 39.13 -74.01 45.39 40.41 -73.11 45.29 39.77 3 0 -3.96 -999 ? CL CL B 584s >ALA~B 358 -73.88 45.35 44.38 -73.19 46.50 45.06 -73.53 45.93 44.72 2 0 -3.72 -999 ? CL CL B 584s >LEU~B 359 -77.97 47.75 43.57 -79.96 47.91 44.40 -78.97 47.83 43.98 3 0 6.66 -999 ? CL CL B 584 >ALA~B 360 -78.51 43.58 42.22 -77.89 43.21 40.87 -78.20 43.40 41.54 2 0 7.55 -999 ? CL CL B 584 >ASP~B 361 -75.36 41.26 45.14 -74.88 39.49 46.19 -75.12 40.38 45.67 2 0 10.22 -999 ? CL CL B 584 >LEU~B 362 -78.47 44.18 48.27 -78.71 44.78 50.34 -78.59 44.48 49.30 3 0 10.26 -999 ? CL CL B 584 >TYR~B 363 -82.97 43.78 44.95 -84.29 46.21 45.26 -83.63 45.00 45.11 3 0 11.95 -999 ? CL CL B 584 >ARG~B 364 -79.12 36.04 42.95 -80.08 33.10 43.21 -79.60 34.57 43.08 2 0 17.17 -999 ? CL CL B 584 >ALA~B 365 -79.47 38.17 49.10 -78.55 39.16 49.78 -79.01 38.66 49.44 2 0 13.54 -999 ? CL CL B 584 >LEU~B 366 -83.51 40.67 49.97 -82.75 41.80 51.65 -83.13 41.24 50.81 3 0 15.52 -999 ? CL CL B 584 >GLY.B 367 -84.32 36.37 48.25 -84.43 37.18 48.09 -84.37 36.77 48.17 1 0 17.98 -999 ? CL CL B 584 >LEU.B 368 -86.17 40.36 46.40 -86.87 41.10 48.32 -86.52 40.73 47.36 3 0 16.79 -999 ? CL CL B 584 >VAL.B 369 -84.95 37.71 42.68 -83.71 39.45 42.39 -84.33 38.58 42.53 3 0 15.35 -999 ? CL CL B 584 >ASP.B 370 -84.21 34.06 39.76 -86.20 34.80 39.64 -85.21 34.43 39.70 2 0 19.43 -999 ? CL CL B 584 >LYS.B 371 -80.01 34.28 39.20 -78.27 29.44 36.26 -79.14 31.86 37.73 2 0 20.71 -999 ? CL CL B 584 >GLN~B 372 -79.24 38.35 34.84 -80.43 40.13 35.08 -79.84 39.24 34.96 2 0 13.37 -999 ? CL CL B 584 >GLY~B 373 -81.87 35.81 33.05 -82.12 35.56 33.83 -81.99 35.69 33.44 1 0 18.07 -999 ? CL CL B 584 >VAL~B 374 -84.22 33.48 34.87 -83.81 31.92 36.33 -84.01 32.70 35.60 3 0 20.51 -999 ? CL CL B 584 >GLY~B 375 -86.19 36.63 35.68 -85.98 36.37 34.94 -86.09 36.50 35.31 1 0 19.10 -999 ? CL CL B 584 >VAL~B 376 -86.60 38.46 32.38 -85.15 39.12 30.88 -85.88 38.79 31.63 3 0 19.42 -999 ? CL CL B 584 >ASP~B 377 -85.93 33.90 30.82 -84.18 34.24 29.70 -85.06 34.07 30.26 2 0 22.09 -999 ? CL CL B 584 >ARG~B 378 -88.57 32.01 36.26 -89.55 32.19 39.15 -89.06 32.10 37.70 2 0 23.69 -999 ? CL CL B 584 >MET?B 379 -91.43 37.04 32.30 -90.78 41.25 32.40 -91.10 39.15 32.35 2 0 21.76 -999 ? CL CL B 584 >TYR~B 380 -89.68 37.20 27.12 -88.73 39.54 25.92 -89.20 38.37 26.52 3 0 24.83 -999 ? CL CL B 584 >GLN~B 381 -92.22 31.17 31.09 -93.73 29.67 30.94 -92.98 30.42 31.02 2 0 29.19 -999 ? CO CO D 601 >ALA~B 382 -95.28 33.80 31.29 -95.12 34.84 32.40 -95.20 34.32 31.84 2 0 28.00 -999 ? CL CL B 584 >MET?B 383 -96.95 35.79 28.52 -97.35 38.72 30.12 -97.15 37.25 29.32 2 0 29.10 -999 ? CL CL B 584 >ILE~B 384 -94.65 32.78 25.46 -94.30 33.41 24.23 -94.48 33.09 24.84 3 0 31.76 -999 ? CL CL B 584 >ALA~B 385 -97.82 30.56 27.60 -97.27 29.94 28.86 -97.54 30.25 28.23 2 0 31.11 -999 ? CO CO D 601 >LEU~B 386 -101.15 33.59 29.24 -100.81 33.28 31.34 -100.98 33.43 30.29 3 0 34.17 -999 ? CL CL B 584 >GLY.B 387 -101.27 33.67 24.55 -100.89 34.15 25.04 -101.08 33.91 24.80 1 0 36.66 -999 ? CL CL B 584 >HIS.B 388 -101.38 37.73 27.43 -103.11 37.42 28.57 -102.25 37.57 28.00 3 0 34.52 -999 ? CL CL B 584 >ARG.B 389 -98.59 42.26 21.73 -99.89 44.93 21.02 -99.24 43.59 21.38 2 0 34.56 -999 ? CL CL B 584 >PRO.B 390 -93.28 38.69 22.41 -94.51 38.79 24.25 -93.89 38.74 23.33 3 0 29.92 -999 ? CL CL B 584 >PRO.B 391 -91.97 40.34 28.24 -93.20 41.22 26.60 -92.58 40.78 27.42 3 0 25.88 -999 ? CL CL B 584 >THR^B 392 -91.42 44.44 24.59 -92.78 44.74 22.92 -92.10 44.59 23.76 2 0 27.98 -999 ? CL CL B 584 >ILE^B 393 -87.71 45.69 27.27 -86.45 45.33 27.84 -87.08 45.51 27.56 3 0 20.63 -999 ? CL CL B 584 >GLU^B 394 -87.31 49.95 21.91 -88.59 50.85 20.48 -87.95 50.40 21.20 2 0 26.87 -999 ? CL CL B 584 >GLU^B 395 -82.71 53.64 25.63 -80.58 53.53 25.45 -81.64 53.58 25.54 2 0 19.00 -999 ? CL CL B 584 >ILE^B 396 -88.08 56.23 25.33 -88.99 56.08 24.22 -88.54 56.16 24.78 3 0 24.63 -999 ? CL CL B 584 >ALA.B 397 -84.94 59.16 24.41 -85.11 60.20 23.32 -85.02 59.68 23.86 2 0 25.29 -999 ? CL CL B 584 >GLY.B 398 -84.23 60.69 27.80 -83.50 60.47 27.49 -83.86 60.58 27.64 1 0 21.98 -999 ? CL CL B 584 >PRO.B 399 -80.71 58.33 29.92 -82.34 59.02 28.59 -81.53 58.67 29.25 3 0 18.54 -999 ? CL CL B 584 >PHE^B 400 -87.11 57.78 30.27 -87.96 59.47 32.34 -87.54 58.62 31.31 3 0 20.92 -999 ? CL CL B 584 >VAL^B 401 -86.13 52.36 29.25 -84.51 50.92 29.25 -85.32 51.64 29.25 3 0 18.23 -999 ? CL CL B 584 >GLU^B 402 -91.01 52.25 27.44 -92.41 53.79 26.98 -91.71 53.02 27.21 2 0 25.36 -999 ? CL CL B 584 >THR^B 403 -91.11 47.59 29.39 -90.11 46.03 30.48 -90.61 46.81 29.94 2 0 21.06 -999 ? CL CL B 584 >THR^B 404 -94.63 46.99 28.07 -94.55 48.44 26.47 -94.59 47.72 27.27 2 0 26.84 -999 ? CL CL B 584 >LEU^B 405 -96.70 43.42 30.38 -94.94 43.21 31.64 -95.82 43.32 31.01 3 0 26.16 -999 ? CL CL B 584 >VAL^B 406 -100.08 43.51 27.21 -100.55 44.19 25.22 -100.32 43.85 26.22 3 0 32.18 -999 ? CL CL B 584 >GLY.B 407 -102.51 41.44 29.21 -102.83 41.91 28.67 -102.67 41.68 28.94 1 0 33.24 -999 ? CL CL B 584 >GLY.B 408 -106.18 40.54 29.12 -105.69 39.91 29.36 -105.93 40.22 29.24 1 0 36.79 -999 ? CL CL B 584 >ARG.B 409 -112.11 37.29 28.31 -113.63 35.58 30.35 -112.87 36.44 29.33 2 0 43.08 -999 ? CO CO D 601 >PRO.B 410 -107.12 33.37 29.84 -106.52 34.82 28.27 -106.82 34.10 29.06 3 0 38.49 -999 ? CO CO D 601 >VAL~B 411 -106.48 32.60 24.64 -105.11 32.43 22.96 -105.79 32.51 23.80 3 0 38.69 -999 ? CO CO D 601 >LEU~B 412 -109.45 28.83 25.40 -110.20 29.86 27.14 -109.82 29.34 26.27 3 0 37.48 -999 ? CO CO D 601 >PRO~B 413 -107.20 29.03 21.24 -106.95 27.64 22.96 -107.07 28.33 22.10 3 0 37.08 -999 ? CO CO D 601 >VAL~B 414 -103.06 28.30 23.48 -101.77 30.09 23.19 -102.42 29.20 23.34 3 0 34.87 -999 ? CO CO D 601 >LEU~B 415 -104.52 27.60 28.09 -104.38 29.57 28.95 -104.45 28.58 28.52 3 0 33.09 -999 ? CO CO D 601 >GLU~B 416 -106.08 23.49 23.80 -107.80 22.67 22.87 -106.94 23.08 23.33 2 0 33.46 -999 ? CO CO D 601 >LEU~B 417 -101.43 24.56 22.61 -99.53 23.87 21.84 -100.48 24.22 22.23 3 0 31.05 -999 ? CO CO D 601 >VAL~B 418 -99.59 23.89 26.64 -98.74 25.66 27.59 -99.17 24.78 27.11 3 0 28.27 -999 ? CO CO D 601 >SER~B 419 -101.69 21.52 28.76 -103.47 22.89 29.65 -102.58 22.20 29.21 2 0 27.85 -999 ? CO CO D 601 >SER~B 420 -100.84 18.75 26.27 -102.81 19.16 24.94 -101.82 18.95 25.60 2 0 27.32 -999 ? CO CO D 601 >ILE.B 421 -96.36 20.57 26.91 -95.68 21.06 25.76 -96.02 20.81 26.34 3 0 24.50 -999 ? CO CO D 601 >VAL.B 422 -95.19 16.15 27.30 -96.32 14.32 27.42 -95.76 15.24 27.36 3 0 19.96 -999 ? CO CO D 601 >PRO~B 423 -90.89 16.18 29.09 -93.02 15.75 28.69 -91.95 15.97 28.89 3 0 18.19 -999 ? CO CO D 601 >GLU~B 424 -96.90 18.29 33.64 -97.83 17.56 35.39 -97.37 17.92 34.52 2 0 18.69 -999 ? CO CO D 601 >ALA~B 425 -92.15 19.55 33.06 -90.95 18.87 33.72 -91.55 19.21 33.39 2 0 17.79 -999 ? CO CO D 601 >ARG~B 426 -89.96 18.98 26.87 -86.98 18.52 27.35 -88.47 18.75 27.11 2 0 20.61 -999 ? CO CO D 601 >GLN~B 427 -96.84 21.86 30.09 -98.27 20.97 31.42 -97.56 21.41 30.75 2 0 22.99 -999 ? CO CO D 601 >ASP.B 428 -93.41 26.40 33.19 -92.41 24.97 34.37 -92.91 25.68 33.78 2 0 23.50 -999 ? CO CO D 601 >ASP~B 429 -89.50 24.37 29.23 -87.51 24.36 28.51 -88.50 24.36 28.87 2 0 24.73 -999 ? CO CO D 601 >TYR~B 430 -86.92 30.92 28.20 -85.87 33.05 26.70 -86.40 31.99 27.45 3 0 25.96 -999 ? CL CL B 584 >ARG~B 431 -84.58 25.91 27.50 -83.40 23.06 27.45 -83.99 24.48 27.48 2 0 24.54 -999 ? CO CO D 601 >ILE~B 432 -90.82 24.37 24.57 -91.46 24.37 25.09 -91.14 24.37 24.83 3 0 26.98 -999 ? CO CO D 601 >ALA~B 433 -91.86 28.86 24.69 -91.80 29.68 25.97 -91.83 29.27 25.33 2 0 30.90 -999 ? CO CO D 601 >ILE~B 434 -88.02 31.03 22.58 -87.83 32.55 22.65 -87.93 31.79 22.62 3 0 29.81 -999 ? CL CL B 584 >VAL~B 435 -89.63 27.97 19.85 -88.78 26.00 19.52 -89.20 26.98 19.69 3 0 32.05 -999 ? CO CO D 601 >LEU~B 436 -94.30 27.33 21.10 -95.10 25.35 21.28 -94.70 26.34 21.19 3 0 31.36 -999 ? CO CO D 601 >TYR~B 437 -93.95 33.92 20.45 -94.82 36.49 19.78 -94.38 35.20 20.12 3 0 33.59 -999 ? CL CL B 584 >LEU~B 438 -90.24 31.13 16.69 -88.40 32.21 17.07 -89.32 31.67 16.88 3 0 34.54 -999 ? CL CL B 584 >LEU~B 439 -93.96 27.60 15.38 -92.48 26.33 14.49 -93.22 26.96 14.94 3 0 35.74 -999 ? CO CO D 601 >PHE~B 440 -97.38 30.83 18.27 -97.98 28.82 20.13 -97.68 29.83 19.20 3 0 35.95 -999 ? CO CO D 601 >GLN~B 441 -94.50 35.60 15.80 -96.40 36.53 15.99 -95.45 36.07 15.89 2 0 37.20 -999 ? CL CL B 584 >ARG~B 442 -89.59 33.34 11.81 -87.89 33.10 9.27 -88.74 33.22 10.54 2 0 39.25 -999 ? CL CL B 584 >PRO.B 443 -93.48 30.52 7.22 -94.06 29.98 9.28 -93.77 30.25 8.25 3 0 42.93 -999 ? CO CO D 601 >PHE.B 444 -89.35 28.30 7.56 -87.65 30.27 6.54 -88.50 29.29 7.05 3 0 42.82 -999 ? CO CO D 601 >ILE.B 445 -88.50 27.74 13.52 -88.15 28.22 14.07 -88.32 27.98 13.79 3 0 36.84 -999 ? CO CO D 601 >THR~B 446 -84.39 27.47 11.55 -82.96 28.27 10.11 -83.68 27.87 10.83 2 0 39.16 -999 ? CL CL B 584 >ILE~B 447 -80.28 26.30 13.73 -78.95 26.01 13.70 -79.61 26.15 13.72 3 0 35.55 -999 ? CO CO B 601 >ASP~B 448 -80.04 31.31 11.85 -78.46 30.24 10.96 -79.25 30.77 11.40 2 0 36.49 -999 ? CL CL B 584 >VAL~B 449 -83.96 32.08 13.67 -85.70 32.09 12.37 -84.83 32.08 13.02 3 0 35.47 -999 ? CL CL B 584 >VAL~B 450 -84.24 30.33 17.03 -84.54 28.26 17.57 -84.39 29.29 17.30 3 0 33.43 -999 ? CL CL B 584 >ALA~B 451 -80.89 31.81 18.02 -79.60 31.64 17.22 -80.24 31.72 17.62 2 0 30.78 -999 ? CL CL B 584 >ARG~B 452 -81.52 37.84 14.85 -80.35 35.67 12.98 -80.94 36.76 13.92 2 0 32.65 -999 ? CL CL B 584 >GLY~B 453 -85.25 34.67 19.29 -84.45 34.59 19.55 -84.85 34.63 19.42 1 0 29.43 -999 ? CL CL B 584 >LEU~B 454 -82.47 32.23 22.36 -83.35 30.35 22.78 -82.91 31.29 22.57 3 0 27.92 -999 ? CL CL B 584 >GLN~B 455 -82.49 38.13 21.86 -82.58 40.12 22.59 -82.54 39.13 22.22 2 0 23.36 -999 ? CL CL B 584 >SER.B 456 -78.15 33.73 22.19 -77.29 31.97 23.62 -77.72 32.85 22.90 2 0 25.17 -999 ? CL CL B 584 >GLY~B 457 -75.55 31.87 20.16 -76.27 31.54 20.35 -75.91 31.70 20.25 1 0 27.62 -999 ? CL CL B 584 >LYS~B 458 -75.87 28.91 17.84 -71.42 28.67 13.92 -73.64 28.79 15.88 2 0 31.45 -999 ? CO CO B 601 >GLU~B 459 -73.07 25.72 21.45 -73.62 23.73 20.97 -73.34 24.73 21.21 2 0 25.95 -999 ? CO CO B 601 >ALA~B 460 -78.30 27.73 22.89 -78.47 29.13 23.41 -78.39 28.43 23.15 2 0 27.49 -999 ? CL CL B 584 >ALA~B 461 -80.46 27.58 19.76 -80.16 28.31 18.47 -80.31 27.94 19.12 2 0 31.92 -999 ? CL CL B 584 >ARG~B 462 -76.85 22.48 16.71 -74.27 24.02 16.02 -75.56 23.25 16.36 2 0 30.39 -999 ? CO CO B 601 >ASN~B 463 -79.48 23.69 23.63 -80.10 22.93 25.51 -79.79 23.31 24.57 2 0 26.28 -999 ? CO CO D 601 >ALA~B 464 -83.56 24.69 22.42 -83.83 26.15 22.06 -83.70 25.42 22.24 2 0 30.08 -999 ? CO CO D 601 >LEU~B 465 -83.71 23.15 17.81 -84.31 24.21 16.04 -84.01 23.68 16.92 3 0 31.83 -999 ? CO CO D 601 >GLU~B 466 -81.11 18.47 20.10 -82.12 16.77 19.34 -81.61 17.62 19.72 2 0 26.10 -999 ? CO CO D 601 >ALA~B 467 -85.58 20.02 23.45 -85.43 21.11 24.48 -85.51 20.56 23.96 2 0 24.53 -999 ? CO CO D 601 >ALA~B 468 -88.36 21.21 21.16 -88.21 22.36 20.19 -88.29 21.79 20.67 2 0 28.33 -999 ? CO CO D 601 >ARG~B 469 -86.13 16.38 16.16 -83.16 15.70 15.98 -84.65 16.04 16.07 2 0 28.23 -999 ? CO CO D 601 >GLN~B 470 -85.74 15.41 22.16 -84.31 14.64 23.53 -85.02 15.02 22.84 2 0 21.10 -999 ? CO CO D 601 >THR~B 471 -91.32 17.65 23.32 -91.51 19.52 24.35 -91.41 18.58 23.84 2 0 23.69 -999 ? CO CO D 601 >THR^B 472 -94.60 16.00 22.40 -95.23 14.04 23.01 -94.91 15.02 22.70 2 0 22.29 -999 ? CO CO D 601 >VAL^B 473 -98.26 17.03 22.10 -99.02 18.79 21.11 -98.64 17.91 21.61 3 0 26.72 -999 ? CO CO D 601 >ALA.B 474 -101.28 14.90 21.18 -101.96 15.66 20.04 -101.62 15.28 20.61 2 0 28.25 -999 ? CO CO D 601 >GLY.B 475 -98.82 12.06 20.69 -98.64 12.76 20.35 -98.73 12.41 20.52 1 0 24.74 -999 ? CO CO D 601 >ALA^B 476 -96.58 13.77 18.18 -97.30 14.07 16.88 -96.94 13.92 17.53 2 0 28.08 -999 ? CO CO D 601 >PRO^B 477 -92.82 14.82 16.42 -93.95 15.43 18.25 -93.39 15.13 17.34 3 0 27.04 -999 ? CO CO D 601 >LEU.B 478 -93.22 20.61 19.73 -94.12 21.86 21.23 -93.67 21.24 20.48 3 0 28.01 -999 ? CO CO D 601 >ILE^B 479 -90.88 21.38 15.68 -89.87 22.04 16.42 -90.38 21.71 16.05 3 0 31.18 -999 ? CO CO D 601 >ILE^B 480 -92.86 17.80 11.74 -92.40 17.34 10.42 -92.63 17.57 11.08 3 0 33.47 -999 ? CO CO D 601 >ALA^B 481 -88.65 18.43 10.00 -87.39 17.58 10.11 -88.02 18.01 10.05 2 0 33.97 -999 ? CO CO D 601 >HIS^B 482 -90.69 20.60 4.74 -91.51 20.51 2.81 -91.10 20.56 3.78 3 0 41.12 -999 ? CO CO D 601 >ASP.B 483 -86.17 20.41 3.09 -87.18 19.67 1.38 -86.68 20.04 2.24 2 0 42.79 -999 ? CO CO D 601 >GLY.B 484 -83.60 21.52 6.15 -84.39 21.78 6.16 -84.00 21.65 6.15 1 0 39.50 -999 ? CO CO D 601 >VAL^B 485 -86.21 23.32 8.23 -86.96 25.29 7.63 -86.59 24.31 7.93 3 0 39.20 -999 ? CO CO D 601 >TRP^B 486 -87.38 20.16 13.14 -83.54 21.04 13.04 -85.46 20.60 13.09 3 0 32.91 -999 ? CO CO D 601 >LEU^B 487 -92.63 23.75 9.82 -93.11 22.41 8.20 -92.87 23.08 9.01 3 0 37.98 -999 ? CO CO D 601 >LEU^B 488 -96.09 24.48 13.85 -96.73 25.04 15.82 -96.41 24.76 14.84 3 0 35.04 -999 ? CO CO D 601 >GLY~B 489 -96.62 19.86 13.60 -97.04 20.54 13.76 -96.83 20.20 13.68 1 0 33.26 -999 ? CO CO D 601 >ASN~B 490 -100.72 18.10 11.63 -99.94 18.26 9.66 -100.33 18.18 10.64 2 0 36.81 -999 ? CO CO D 601 >ALA~B 491 -101.01 18.34 16.09 -100.03 17.64 17.03 -100.52 17.99 16.56 2 0 30.57 -999 ? CO CO D 601 >CYH~B 492 -100.58 21.93 17.26 -98.34 21.69 18.86 -99.46 21.81 18.06 2 0 30.79 -999 ? CO CO D 601 >ARG~B 493 -99.82 23.18 10.72 -97.72 23.35 8.48 -98.77 23.26 9.60 2 0 39.53 -999 ? CO CO D 601 >GLU~B 494 -105.26 19.64 13.35 -106.45 20.30 11.73 -105.85 19.97 12.54 2 0 38.74 -999 ? CO CO D 601 >ILE~B 495 -104.24 22.98 19.18 -104.96 22.06 20.03 -104.60 22.52 19.60 3 0 33.49 -999 ? CO CO D 601 >LEU~B 496 -102.81 27.18 16.57 -101.73 27.15 18.45 -102.27 27.16 17.51 3 0 36.67 -999 ? CO CO D 601 >ARG~B 497 -106.28 24.59 11.09 -105.38 25.92 8.48 -105.83 25.25 9.78 2 0 43.45 -999 ? CO CO D 601 >LYS.B 498 -109.41 27.30 16.77 -109.76 22.72 20.62 -109.59 25.01 18.70 2 0 35.91 -999 ? CO CO D 601 >VAL.B 499 -108.18 30.77 17.71 -106.24 31.46 18.44 -107.21 31.12 18.07 3 0 41.18 -999 ? CO CO D 601 >GLU.B 500 -112.91 34.51 16.59 -114.17 35.78 17.70 -113.54 35.14 17.15 2 0 48.16 -999 ? CO CO D 601 >PRO.B 501 -110.53 34.26 12.29 -109.17 34.64 14.02 -109.85 34.45 13.15 3 0 47.47 -999 ? CO CO D 601 >SER.B 502 -107.72 38.63 14.53 -107.90 38.16 16.92 -107.81 38.40 15.72 2 0 44.48 -999 ? CL CL B 584 >PRO.B 503 -105.96 42.50 15.58 -105.27 40.57 14.72 -105.61 41.53 15.15 3 0 43.08 -999 ? CL CL B 584 >PHE.B 504 -101.87 41.49 18.27 -101.46 44.26 18.27 -101.67 42.88 18.27 3 0 37.90 -999 ? CL CL B 584 >SER.B 505 -103.49 35.90 16.74 -104.71 35.69 14.64 -104.10 35.80 15.69 2 0 44.05 -999 ? CL CL B 584 >PRO.B 506 -102.25 31.92 17.87 -101.56 33.45 16.42 -101.90 32.68 17.15 3 0 40.62 -999 ? CO CO D 601 >VAL.B 507 -100.49 30.83 13.10 -101.12 29.03 14.15 -100.81 29.93 13.63 3 0 40.52 -999 ? CO CO D 601 >ARG.B 508 -102.67 36.91 11.87 -103.80 39.11 10.04 -103.23 38.01 10.95 2 0 45.60 -999 ? CL CL B 584 >TYR.B 509 -97.85 30.71 9.05 -97.09 28.86 11.00 -97.47 29.78 10.02 3 0 42.01 -999 ? CO CO D 601 >LEU.B 510 -102.36 28.02 9.06 -101.09 26.56 10.02 -101.72 27.29 9.54 3 0 42.06 -999 ? CO CO D 601 >SER.B 511 -104.30 30.74 5.43 -105.51 32.83 5.04 -104.91 31.78 5.23 2 0 49.93 -999 ? CO CO D 601 >THR.B 512 -105.21 30.80 1.75 -107.17 30.63 0.82 -106.19 30.71 1.28 2 0 52.41 -999 ? CO CO D 601 >ASP~B 513 -104.47 35.40 3.02 -104.28 37.47 2.68 -104.38 36.44 2.85 2 0 51.66 -999 ? CL CL B 584 >GLN~B 514 -102.97 35.90 -3.43 -104.17 34.20 -2.94 -103.57 35.05 -3.18 2 0 56.24 -999 ? CO CO D 601 >ALA~B 515 -100.32 38.08 1.42 -100.97 39.15 2.28 -100.64 38.61 1.85 2 0 49.66 -999 ? CL CL B 584 >GLU~B 516 -101.53 35.32 5.73 -100.17 36.12 7.14 -100.85 35.72 6.43 2 0 46.10 -999 ? CL CL B 584 >LEU~B 517 -99.66 32.31 0.02 -101.06 30.66 -0.07 -100.36 31.49 -0.03 3 0 51.41 -999 ? CO CO D 601 >THR~B 518 -96.34 35.29 -0.29 -96.45 37.08 -1.54 -96.39 36.18 -0.91 2 0 50.91 -999 ? CL CL B 584 >ASN~B 519 -95.41 36.56 4.32 -94.00 36.90 5.89 -94.70 36.73 5.11 2 0 43.53 -999 ? CL CL B 584 >ALA~B 520 -94.21 32.39 3.64 -95.32 31.35 3.69 -94.76 31.87 3.66 2 0 47.36 -999 ? CO CO D 601 >ALA~B 521 -92.74 31.72 0.20 -93.51 31.86 -1.11 -93.13 31.79 -0.45 2 0 50.70 -999 ? CL CL B 584 >MET?B 522 -90.61 34.86 0.46 -90.18 37.00 -2.03 -90.40 35.93 -0.79 2 0 48.77 -999 ? CL CL B 584 >LEU~B 523 -90.07 33.44 5.07 -90.67 34.73 6.70 -90.37 34.09 5.89 3 0 42.73 -999 ? CL CL B 584 >TRP~B 524 -87.49 28.12 0.29 -88.44 24.87 2.30 -87.96 26.50 1.29 3 0 45.98 -999 ? CO CO D 601 >LEU~B 525 -87.15 32.69 -1.85 -88.40 32.07 -3.49 -87.77 32.38 -2.67 3 0 49.84 -999 ? CL CL B 584 >SER~B 526 -84.58 34.60 1.27 -86.31 35.63 2.63 -85.45 35.11 1.95 2 0 43.61 -999 ? CL CL B 584 >GLU~B 527 -84.81 33.62 5.69 -85.71 33.67 7.57 -85.26 33.64 6.63 2 0 39.70 -999 ? CL CL B 584 >VAL~B 528 -83.65 28.58 2.95 -85.16 27.11 3.42 -84.40 27.84 3.19 3 0 45.21 -999 ? CO CO D 601 >GLY.B 529 -83.08 28.41 -0.80 -83.90 28.47 -0.69 -83.49 28.44 -0.74 1 0 48.42 -999 ? CL CL B 584 >ASP.B 530 -84.18 26.68 -5.18 -82.25 27.34 -5.70 -83.21 27.01 -5.44 2 0 52.76 -999 ? CO CO D 601 >LEU.B 531 -89.30 28.70 -2.86 -91.35 28.78 -2.19 -90.32 28.74 -2.53 3 0 50.48 -999 ? CO CO D 601 >ALA~B 532 -90.19 24.37 -4.39 -89.74 22.95 -4.15 -89.96 23.66 -4.27 2 0 49.21 -999 ? CO CO D 601 >THR~B 533 -93.93 24.47 -4.94 -95.17 23.42 -6.35 -94.55 23.94 -5.64 2 0 51.93 -999 ? CO CO D 601 >SER~B 534 -94.20 21.47 -2.61 -93.30 19.78 -4.10 -93.75 20.62 -3.35 2 0 48.25 -999 ? CO CO D 601 >ASP~B 535 -91.16 23.95 0.26 -89.60 22.61 -0.30 -90.38 23.28 -0.02 2 0 45.58 -999 ? CO CO D 601 >LEU~B 536 -95.32 27.04 -1.15 -96.53 28.65 -0.33 -95.92 27.84 -0.74 3 0 49.12 -999 ? CO CO D 601 >MET?B 537 -97.88 23.69 0.56 -98.74 20.95 -2.49 -98.31 22.32 -0.96 2 0 48.16 -999 ? CO CO D 601 >ALA~B 538 -96.41 22.30 3.77 -95.14 21.48 3.85 -95.78 21.89 3.81 2 0 41.99 -999 ? CO CO D 601 >MET?B 539 -95.70 25.80 5.08 -92.43 28.33 3.89 -94.06 27.06 4.49 2 0 45.04 -999 ? CO CO D 601 >CYH~B 540 -99.25 27.17 4.90 -98.25 29.47 3.69 -98.75 28.32 4.30 2 0 46.83 -999 ? CO CO D 601 >GLY~B 541 -101.03 23.82 4.60 -101.10 24.53 4.13 -101.06 24.17 4.36 1 0 43.88 -999 ? CO CO D 601 >VAL.B 542 -102.75 24.78 1.36 -102.05 26.87 1.29 -102.40 25.83 1.32 3 0 47.95 -999 ? CO CO D 601 >SER~B 543 -103.84 23.13 -1.92 -106.20 23.76 -1.71 -105.02 23.44 -1.82 2 0 50.83 -999 ? CO CO D 601 >ARG~B 544 -99.48 20.09 -7.05 -96.44 19.98 -6.57 -97.96 20.04 -6.81 2 0 51.08 -999 ? CO CO D 601 >GLY~B 545 -103.48 24.85 -6.73 -103.15 25.00 -5.98 -103.31 24.93 -6.35 1 0 54.66 -999 ? CO CO D 601 >THR~B 546 -103.43 27.48 -3.99 -104.73 27.59 -2.27 -104.08 27.54 -3.13 2 0 52.48 -999 ? CO CO D 601 >ALA~B 547 -99.64 27.26 -3.81 -98.87 26.03 -3.36 -99.26 26.64 -3.58 2 0 51.06 -999 ? CO CO D 601 >LYS~B 548 -99.02 27.32 -7.58 -98.18 25.51 -12.57 -98.60 26.42 -10.08 2 0 58.87 -999 ? CO CO D 601 >ALA~B 549 -101.08 30.51 -7.70 -102.41 30.69 -6.98 -101.74 30.60 -7.34 2 0 57.18 -999 ? CO CO D 601 >CYH~B 550 -98.75 32.38 -5.36 -97.71 33.40 -2.97 -98.23 32.89 -4.16 2 0 53.64 -999 ? CL CL B 584 >VAL~B 551 -95.65 30.99 -7.07 -94.70 29.03 -7.09 -95.18 30.01 -7.08 3 0 55.50 -999 ? CO CO D 601 >ASP~B 552 -98.23 31.56 -11.09 -98.27 29.51 -11.63 -98.25 30.53 -11.36 2 0 59.71 -999 ? CO CO D 601 >GLY~B 553 -97.66 35.51 -9.33 -96.95 35.08 -9.29 -97.31 35.30 -9.31 1 0 58.55 -999 ? CL CL B 584 >LEU~B 554 -93.50 34.86 -6.96 -94.16 34.81 -4.90 -93.83 34.83 -5.93 3 0 54.15 -999 ? CL CL B 584 >VAL~B 555 -93.00 34.79 -11.55 -92.80 32.79 -12.39 -92.90 33.79 -11.97 3 0 59.49 -999 ? CL CL B 584 >ASP~B 556 -96.80 37.37 -13.11 -97.74 35.98 -14.42 -97.27 36.67 -13.77 2 0 63.00 -999 ? CL CL B 584 >GLU~B 557 -95.65 40.38 -9.36 -96.15 40.85 -7.36 -95.90 40.61 -8.36 2 0 55.19 -999 ? CL CL B 584 >GLU.B 558 -90.22 39.54 -14.38 -89.53 40.96 -15.74 -89.88 40.25 -15.06 2 0 60.62 -999 ? CL CL B 584 >ARG.B 559 -90.78 40.45 -6.35 -92.44 40.12 -3.78 -91.61 40.28 -5.07 2 0 50.57 -999 ? CL CL B 584 >VAL^B 560 -88.29 34.68 -8.96 -89.61 33.69 -7.53 -88.95 34.18 -8.24 3 0 54.72 -999 ? CL CL B 584 >VAL^B 561 -87.54 32.53 -12.01 -85.71 32.64 -13.21 -86.62 32.58 -12.61 3 0 58.57 -999 ? CL CL B 584 >ALA^B 562 -88.22 28.84 -12.75 -89.21 28.35 -13.79 -88.71 28.59 -13.27 2 0 60.21 -999 ? CO CO D 601 >VAL^B 563 -85.30 26.34 -12.76 -83.84 26.37 -11.12 -84.57 26.36 -11.94 3 0 57.76 -999 ? CO CO D 601 >GLY.B 564 -85.15 22.61 -13.58 -85.77 23.13 -13.85 -85.46 22.87 -13.72 1 0 57.84 -999 ? CO CO D 601 >GLY~B 565 -88.06 20.43 -14.68 -87.64 20.02 -14.11 -87.85 20.23 -14.40 1 0 58.13 -999 ? CO CO D 601 >GLY~B 566 -90.33 17.67 -13.40 -90.16 18.34 -12.96 -90.25 18.01 -13.18 1 0 56.18 -999 ? CO CO D 601 >ARG~B 567 -91.96 14.16 -10.73 -94.02 12.00 -9.98 -92.99 13.08 -10.36 2 0 51.93 -999 ? CO CO D 601 >SER~B 568 -87.12 18.77 -9.51 -85.83 17.95 -11.43 -86.48 18.36 -10.47 2 0 54.33 -999 ? CO CO D 601 >ARG~B 569 -90.94 23.93 -12.96 -90.47 24.93 -15.81 -90.71 24.43 -14.38 2 0 60.76 -999 ? CO CO D 601 >ARG^B 570 -85.63 22.97 -5.66 -86.08 21.96 -2.80 -85.85 22.47 -4.23 2 0 47.56 -999 ? CO CO D 601 >TYR^B 571 -90.32 28.61 -8.54 -92.23 27.14 -9.97 -91.27 27.87 -9.25 3 0 56.01 -999 ? CO CO D 601 >ARG^B 572 -81.27 30.96 -7.53 -80.08 28.34 -8.56 -80.67 29.65 -8.04 2 0 54.94 -999 ? CL CL B 584 >LEU^B 573 -85.90 35.56 -5.24 -84.66 35.43 -3.51 -85.28 35.50 -4.37 3 0 49.79 -999 ? CL CL B 584 >VAL.B 574 -83.53 37.56 -8.25 -84.87 37.91 -9.91 -84.20 37.74 -9.08 3 0 53.46 -999 ? CL CL B 584 >GLU~C 9 -78.59 -23.48 77.66 -77.88 -25.40 77.08 -78.24 -24.44 77.37 2 0 18.12 -999 ? CL CL C 584 >GLY~C 10 -74.01 -25.19 79.38 -74.25 -24.49 79.00 -74.13 -24.84 79.19 1 0 22.28 -999 ? CL CL C 584 >ARG~C 11 -73.69 -20.00 74.34 -70.97 -19.28 73.07 -72.33 -19.64 73.71 2 0 15.85 -999 ? CO CO C 601 >ARG~C 12 -73.27 -17.00 81.84 -75.77 -16.19 80.25 -74.52 -16.59 81.05 2 0 18.14 -999 ? CO CO C 601 >GLU~C 13 -71.46 -23.48 83.16 -72.69 -25.17 82.91 -72.08 -24.33 83.04 2 0 25.04 -999 ? CO CO C 601 >GLN~C 14 -68.17 -22.13 75.83 -68.95 -23.12 74.10 -68.56 -22.62 74.96 2 0 19.21 -999 ? CO CO C 601 >LEU~C 15 -69.99 -17.43 78.06 -70.94 -17.09 76.14 -70.47 -17.26 77.10 3 0 15.07 -999 ? CO CO C 601 >ILE~C 16 -67.95 -18.06 82.87 -68.59 -18.07 84.04 -68.27 -18.06 83.46 3 0 18.88 -999 ? CO CO C 601 >ALA~C 17 -64.41 -19.69 80.85 -64.46 -21.10 80.30 -64.44 -20.39 80.58 2 0 19.31 -999 ? CO CO C 601 >GLN~C 18 -64.78 -18.64 75.80 -66.12 -18.30 74.22 -65.45 -18.47 75.01 2 0 14.29 -999 ? CO CO C 601 >VAL~C 19 -63.68 -14.44 79.75 -65.25 -13.04 80.32 -64.47 -13.74 80.03 3 0 13.32 -999 ? CO CO C 601 >GLU~C 20 -62.85 -17.21 84.26 -62.45 -15.64 85.61 -62.65 -16.43 84.94 2 0 19.05 -999 ? CO CO C 601 >SER~C 21 -58.99 -17.11 79.80 -58.46 -17.40 77.48 -58.72 -17.25 78.64 2 0 16.41 -999 ? CO CO C 601 >ILE~C 22 -59.85 -12.82 77.67 -60.32 -12.08 76.47 -60.09 -12.45 77.07 3 0 11.80 -999 ? CO CO C 601 >LEU~C 23 -59.37 -11.97 82.88 -60.91 -10.47 82.98 -60.14 -11.22 82.93 3 0 15.21 -999 ? CO CO C 601 >ALA~C 24 -55.77 -14.61 82.63 -55.96 -16.11 82.51 -55.86 -15.36 82.57 2 0 19.40 -999 ? CO CO C 601 >SER~C 25 -53.49 -13.26 79.86 -54.68 -12.29 78.03 -54.09 -12.77 78.94 2 0 15.55 -999 ? CO CO C 601 >ALA.C 26 -53.40 -9.81 81.44 -54.18 -9.42 82.69 -53.79 -9.62 82.07 2 0 17.56 -999 ? CO CO C 601 >ALA.C 27 -49.90 -8.37 81.08 -49.06 -9.58 80.72 -49.48 -8.97 80.90 2 0 20.30 -999 ? CO CO C 601 >ASP.C 28 -47.73 -5.43 78.73 -45.99 -4.34 78.34 -46.86 -4.88 78.54 2 0 21.35 -999 ? CO CO C 601 >GLY.C 29 -51.51 -3.06 80.72 -51.46 -3.70 80.26 -51.48 -3.38 80.49 1 0 17.66 -999 ? CO CO C 601 >ARG.C 30 -51.84 -5.13 74.87 -50.55 -6.14 72.28 -51.20 -5.64 73.58 2 0 15.51 -999 ? CO CO C 601 >VAL.C 31 -55.17 -8.46 77.59 -57.06 -8.25 78.59 -56.12 -8.36 78.09 3 0 12.92 -999 ? CO CO C 601 >GLN.C 32 -52.63 -10.02 73.70 -50.67 -10.74 73.26 -51.65 -10.38 73.48 2 0 16.66 -999 ? CO CO C 601 >LYS.C 33 -57.51 -12.82 72.71 -62.14 -9.44 70.57 -59.82 -11.13 71.64 2 0 6.19 -999 ? CO CO C 601 >THR.C 34 -56.97 -16.39 71.57 -56.97 -18.03 72.98 -56.97 -17.21 72.28 2 0 16.38 -999 ? CO CO C 601 >LYS.C 35 -58.65 -18.57 68.91 -59.19 -21.86 64.67 -58.92 -20.22 66.79 2 0 19.52 -999 ? CO CO C 601 >GLU.C 36 -60.40 -22.26 72.07 -62.17 -23.02 71.20 -61.28 -22.64 71.63 2 0 18.91 -999 ? CO CO C 601 >THR.C 37 -62.03 -16.49 72.88 -60.57 -16.37 74.45 -61.30 -16.43 73.67 2 0 13.57 -999 ? CO CO C 601 >GLN.C 38 -61.76 -14.26 67.08 -61.56 -15.33 65.24 -61.66 -14.79 66.16 2 0 12.81 -999 ? CO CO C 601 >SER.C 39 -65.68 -13.70 69.84 -66.63 -15.35 68.30 -66.16 -14.53 69.07 2 0 11.11 -999 ? CO CO C 601 >VAL.C 40 -65.64 -12.25 73.36 -64.80 -12.85 75.28 -65.22 -12.55 74.32 3 0 8.92 -999 ? CO CO C 601 >ASP^C 41 -68.15 -8.25 72.90 -68.58 -6.50 71.81 -68.36 -7.37 72.36 2 0 -3.60 -999 ? CO CO C 601s >PHE^C 42 -61.95 -6.96 74.32 -60.39 -9.26 74.80 -61.17 -8.11 74.56 3 0 -7.16 -999 ? CO CO C 601s >LYS^C 43 -65.93 -2.59 75.31 -69.24 -1.00 71.05 -67.58 -1.80 73.18 2 0 4.88 -999 ? CO CO C 601 >GLU.C 44 -63.11 2.62 76.74 -61.66 3.63 75.60 -62.39 3.12 76.17 2 0 10.45 -999 ? CO CO C 601 >GLU.C 45 -67.86 3.95 81.07 -67.52 4.41 83.11 -67.69 4.18 82.09 2 0 15.49 -999 ? CO CO C 601 >ALA.C 46 -67.90 5.69 76.77 -69.00 5.64 75.71 -68.45 5.67 76.24 2 0 11.80 -999 ? CO CO C 601 >GLY.C 47 -67.67 9.31 77.89 -67.02 8.88 77.96 -67.34 9.10 77.93 1 0 15.74 -999 ? CO CO C 601 >ARG.C 48 -64.72 6.98 82.61 -62.65 4.90 83.45 -63.69 5.94 83.03 2 0 16.28 -999 ? CO CO C 601 >ARG^C 49 -60.36 7.97 75.28 -58.02 6.07 75.75 -59.19 7.02 75.52 2 0 14.15 -999 ? CO CO C 601 >ASN^C 50 -60.25 13.90 78.61 -60.51 15.99 79.01 -60.38 14.94 78.81 2 0 22.80 -999 ? CO CO C 601 >GLY.C 51 -58.11 13.18 74.21 -58.12 12.65 74.85 -58.12 12.91 74.53 1 0 19.64 -999 ? CO CO C 601 >PRO.C 52 -54.38 14.18 76.21 -55.33 12.33 75.38 -54.85 13.26 75.80 3 0 21.54 -999 ? CO CO C 601 >GLN^C 53 -56.45 13.58 80.10 -55.87 15.06 81.53 -56.16 14.32 80.81 2 0 24.55 -999 ? CO CO C 601 >ILE^C 54 -58.89 7.76 80.15 -58.19 6.49 80.04 -58.54 7.12 80.10 3 0 16.73 -999 ? CO CO C 601 >GLU.C 55 -62.27 12.92 82.05 -60.67 14.00 82.95 -61.47 13.46 82.50 2 0 22.86 -999 ? CO CO C 601 >PRO.C 56 -61.95 10.80 87.18 -61.68 9.23 85.63 -61.81 10.01 86.41 3 0 21.87 -999 ? CO CO C 601 >GLY.C 57 -64.87 6.45 86.10 -64.66 6.91 86.75 -64.76 6.68 86.42 1 0 19.04 -999 ? CO CO C 601 >LYS.C 58 -68.09 7.18 87.95 -67.24 12.02 90.54 -67.66 9.60 89.25 2 0 25.97 -999 ? CO CO C 601 >PRO.C 59 -71.16 6.38 90.95 -70.24 5.30 89.22 -70.70 5.84 90.09 3 0 22.62 -999 ? CO CO C 601 >GLU.C 60 -75.41 5.91 88.75 -76.79 6.97 89.95 -76.10 6.44 89.35 2 0 25.04 -999 ? CO CO C 601 >ASN~C 61 -71.75 6.82 83.14 -71.18 7.66 81.27 -71.47 7.24 82.20 2 0 17.06 -999 ? CO CO C 601 >PRO~C 62 -76.47 9.42 82.06 -75.78 7.35 81.76 -76.12 8.38 81.91 3 0 20.00 -999 ? CO CO C 601 >GLU~C 63 -72.57 9.05 76.48 -70.93 10.41 76.29 -71.75 9.73 76.38 2 0 16.76 -999 ? CO CO C 601 >ALA~C 64 -72.22 4.82 78.64 -71.18 4.63 79.74 -71.70 4.73 79.19 2 0 14.00 -999 ? CO CO C 601 >ALA~C 65 -75.37 2.88 79.56 -76.37 3.28 80.61 -75.87 3.08 80.08 2 0 16.49 -999 ? CO CO C 601 >ASP~C 66 -76.95 5.17 75.57 -78.62 6.20 76.29 -77.79 5.68 75.93 2 0 17.60 -999 ? CO CO C 601 >LYS~C 67 -73.86 2.53 74.16 -73.88 7.29 71.82 -73.87 4.91 72.99 2 0 14.30 -999 ? CO CO C 601 >LEU~C 68 -73.45 -0.53 77.85 -71.39 -0.43 78.47 -72.42 -0.48 78.16 3 0 10.81 -999 ? CO CO C 601 >ALA~C 69 -77.40 -1.24 75.82 -78.51 -0.25 76.13 -77.96 -0.75 75.97 2 0 14.45 -999 ? CO CO C 601 >ASP~C 70 -76.59 0.27 71.30 -78.05 1.72 70.96 -77.32 1.00 71.13 2 0 13.68 -999 ? CO CO C 601 >GLU~C 71 -71.89 -4.24 72.61 -71.07 -4.06 70.67 -71.48 -4.15 71.64 2 0 5.22 -999 ? CO CO C 601 >VAL~C 72 -76.14 -5.80 74.46 -76.54 -5.96 76.59 -76.34 -5.88 75.53 3 0 11.67 -999 ? CO CO C 601 >ALA~C 73 -78.74 -5.83 71.73 -79.45 -4.64 71.12 -79.10 -5.24 71.42 2 0 13.60 -999 ? CO CO C 601 >CSS~C 74 -76.25 -6.94 68.98 -74.85 -5.09 67.47 -75.55 -6.02 68.22 2 0 9.51 -999 ? CO CO C 601 >MET?C 75 -75.18 -9.70 71.22 -72.18 -10.88 71.61 -73.68 -10.29 71.41 2 0 9.04 -999 ? CO CO C 601 >ALA~C 76 -78.63 -10.91 72.27 -79.64 -10.17 73.11 -79.14 -10.54 72.69 2 0 15.11 -999 ? CO CO C 601 >ASN~C 77 -79.83 -9.42 67.79 -81.30 -8.02 68.49 -80.56 -8.72 68.14 2 0 15.87 -999 ? CL CL C 584 >THR~C 78 -76.88 -12.97 67.48 -74.99 -11.97 67.35 -75.93 -12.47 67.41 2 0 12.21 -999 ? CO CO C 601 >PRO.C 79 -77.12 -16.93 65.63 -77.62 -16.00 67.59 -77.37 -16.47 66.61 3 0 16.11 -999 ? CL CL C 584 >GLY.C 80 -75.81 -18.17 70.78 -76.18 -17.43 70.83 -75.99 -17.80 70.80 1 0 16.91 -999 ? CO CO C 601 >GLY.C 81 -75.44 -14.73 72.31 -74.83 -15.25 71.96 -75.14 -14.99 72.14 1 0 14.12 -999 ? CO CO C 601 >GLY^C 82 -72.07 -13.81 73.75 -72.62 -13.52 74.29 -72.35 -13.66 74.02 1 0 11.63 -999 ? CO CO C 601 >ALA^C 83 -70.00 -12.19 76.49 -69.13 -13.15 77.25 -69.57 -12.67 76.87 2 0 11.43 -999 ? CO CO C 601 >LEU^C 84 -69.72 -7.43 76.53 -71.37 -7.39 75.19 -70.55 -7.41 75.86 3 0 7.66 -999 ? CO CO C 601 >ILE^C 85 -64.60 -7.84 78.79 -63.57 -8.70 79.38 -64.08 -8.27 79.09 3 0 9.51 -999 ? CO CO C 601 >VAL^C 86 -66.51 -3.58 79.75 -68.25 -2.42 80.17 -67.38 -3.00 79.96 3 0 9.65 -999 ? CO CO C 601 >GLY.C 87 -63.29 -1.78 80.59 -63.26 -2.20 79.87 -63.27 -1.99 80.23 1 0 10.71 -999 ? CO CO C 601 >ILE.C 88 -61.10 -4.72 77.50 -59.88 -5.27 78.10 -60.49 -4.99 77.80 3 0 9.04 -999 ? CO CO C 601 >GLU.C 89 -58.80 0.83 73.55 -57.25 2.29 73.69 -58.03 1.56 73.62 2 0 11.41 -999 ? CO CO C 601 >ASP.C 90 -62.58 -1.85 70.75 -62.68 -2.67 68.79 -62.63 -2.26 69.77 2 0 -4.08 -999 ? CO CO C 601s >LYS.C 91 -58.88 -3.98 69.18 -62.28 -3.16 65.10 -60.58 -3.57 67.14 2 0 6.66 -999 ? CO CO C 601 >THR.C 92 -55.88 -3.07 71.33 -56.06 -1.02 71.95 -55.97 -2.04 71.64 2 0 10.51 -999 ? CO CO C 601 >GLY.C 93 -57.03 -5.01 74.36 -56.70 -4.23 74.41 -56.87 -4.62 74.39 1 0 9.64 -999 ? CO CO C 601 >ARG.C 94 -53.72 0.49 74.86 -51.41 2.09 73.66 -52.56 1.29 74.26 2 0 16.19 -999 ? CO CO C 601 >ILE.C 95 -56.51 -2.98 81.43 -56.33 -3.86 81.81 -56.42 -3.42 81.62 3 0 14.60 -999 ? CO CO C 601 >ILE.C 96 -60.00 1.56 79.98 -59.19 2.55 79.30 -59.60 2.05 79.64 3 0 12.84 -999 ? CO CO C 601 >GLY.C 97 -61.47 0.09 83.75 -61.80 0.42 83.10 -61.63 0.26 83.43 1 0 14.66 -999 ? CO CO C 601 >THR.C 98 -64.99 1.02 84.90 -66.50 0.35 83.54 -65.75 0.69 84.22 2 0 13.88 -999 ? CO CO C 601 >GLU.C 99 -64.69 3.50 88.72 -63.76 2.05 89.94 -64.23 2.77 89.33 2 0 20.57 -999 ? CO CO C 601 >LEU.C 100 -70.58 1.14 85.46 -70.74 2.43 83.75 -70.66 1.78 84.60 3 0 16.12 -999 ? CO CO C 601 >ASP~C 101 -73.59 1.01 90.27 -74.40 -0.12 91.85 -73.99 0.45 91.06 2 0 23.36 -999 ? CO CO C 601 >ILE~C 102 -73.30 -4.65 89.24 -72.58 -5.98 89.02 -72.94 -5.31 89.13 3 0 19.90 -999 ? CO CO C 601 >ASP~C 103 -77.63 -2.54 91.42 -77.71 -4.32 92.53 -77.67 -3.43 91.98 2 0 24.97 -999 ? CO CO C 601 >TRP~C 104 -77.86 3.96 88.11 -76.10 4.32 84.61 -76.98 4.14 86.36 3 0 21.16 -999 ? CO CO C 601 >LEU~C 105 -74.80 -1.04 84.62 -73.95 -0.71 82.65 -74.38 -0.88 83.64 3 0 16.03 -999 ? CO CO C 601 >ARG~C 106 -77.64 -7.13 86.62 -80.06 -8.92 85.97 -78.85 -8.03 86.30 2 0 21.42 -999 ? CO CO C 601 >GLN~C 107 -82.99 -0.08 87.06 -84.81 -1.01 86.47 -83.90 -0.55 86.76 2 0 24.99 -999 ? CO CO C 601 >GLY~C 108 -80.34 0.83 83.34 -80.50 0.02 83.19 -80.42 0.42 83.26 1 0 20.03 -999 ? CO CO C 601 >ILE~C 109 -78.86 -2.63 80.29 -77.65 -3.13 79.71 -78.25 -2.88 80.00 3 0 15.66 -999 ? CO CO C 601 >PHE~C 110 -84.84 -4.54 82.65 -87.38 -5.66 82.85 -86.11 -5.10 82.75 3 0 20.00 -999 ? CL CL C 584 >THR~C 111 -85.01 -0.12 80.84 -85.42 1.61 82.05 -85.22 0.75 81.44 2 0 23.49 -999 ? CO CO C 601 >ARG~C 112 -80.97 1.87 78.86 -79.70 4.32 80.17 -80.33 3.10 79.51 2 0 19.01 -999 ? CO CO C 601 >ILE~C 113 -81.65 -3.14 75.75 -80.70 -4.31 75.86 -81.18 -3.73 75.80 3 0 16.20 -999 ? CO CO C 601 >ASP~C 114 -86.81 -4.76 76.56 -88.70 -3.98 77.10 -87.76 -4.37 76.83 2 0 16.97 -999 ? CL CL C 584 >VAL.C 115 -83.27 -7.21 78.75 -81.73 -7.73 77.28 -82.50 -7.47 78.01 3 0 17.42 -999 ? CL CL C 584 >ALA.C 116 -81.28 -7.62 81.96 -82.07 -7.64 83.24 -81.68 -7.63 82.60 2 0 20.56 -999 ? CL CL C 584 >PRO.C 117 -77.29 -7.36 80.36 -78.54 -8.96 81.23 -77.92 -8.16 80.79 3 0 16.23 -999 ? CO CO C 601 >ASP^C 118 -75.56 -12.53 83.99 -77.28 -13.79 83.83 -76.42 -13.16 83.91 2 0 19.83 -999 ? CO CO C 601 >VAL^C 119 -72.96 -8.87 84.83 -73.41 -6.74 85.06 -73.18 -7.81 84.94 3 0 16.48 -999 ? CO CO C 601 >VAL^C 120 -70.18 -9.67 87.30 -70.00 -11.82 87.03 -70.09 -10.75 87.17 3 0 18.25 -999 ? CO CO C 601 >ALA^C 121 -67.26 -7.50 88.25 -67.31 -6.42 89.31 -67.29 -6.96 88.78 2 0 18.91 -999 ? CO CO C 601 >LYS^C 122 -63.69 -8.69 87.92 -64.90 -13.52 87.24 -64.30 -11.10 87.58 2 0 18.99 -999 ? CO CO C 601 >ARG^C 123 -60.38 -5.72 91.85 -61.02 -2.74 91.52 -60.70 -4.23 91.69 2 0 21.60 -999 ? CO CO C 601 >VAL.C 124 -57.29 -7.66 85.86 -57.89 -6.79 84.01 -57.59 -7.22 84.94 3 0 16.82 -999 ? CO CO C 601 >LEU.C 125 -53.16 -5.19 85.64 -52.79 -6.82 84.26 -52.97 -6.01 84.95 3 0 19.39 -999 ? CO CO C 601 >GLY.C 126 -55.84 -4.28 89.70 -56.23 -4.28 88.95 -56.04 -4.28 89.32 1 0 21.62 -999 ? CO CO C 601 >GLN.C 127 -56.88 -1.19 85.83 -57.34 0.66 86.75 -57.11 -0.27 86.29 2 0 19.02 -999 ? CO CO C 601 >ARG^C 128 -65.14 -2.32 89.87 -68.10 -1.86 89.10 -66.62 -2.09 89.48 2 0 18.87 -999 ? CO CO C 601 >VAL^C 129 -63.89 -4.57 84.63 -62.19 -5.45 83.62 -63.04 -5.01 84.13 3 0 13.88 -999 ? CO CO C 601 >LEU^C 130 -68.61 -4.63 83.94 -68.52 -3.61 85.85 -68.57 -4.12 84.90 3 0 14.61 -999 ? CO CO C 601 >ALA^C 131 -68.14 -8.96 82.43 -67.60 -10.28 82.92 -67.87 -9.62 82.68 2 0 13.77 -999 ? CO CO C 601 >ILE^C 132 -72.13 -7.72 80.15 -73.01 -6.56 80.18 -72.57 -7.14 80.16 3 0 12.01 -999 ? CO CO C 601 >TYR^C 133 -71.55 -13.65 81.32 -68.95 -13.96 82.32 -70.25 -13.81 81.82 3 0 15.26 -999 ? CO CO C 601 >VAL^C 134 -75.97 -11.94 77.40 -75.89 -10.58 75.66 -75.93 -11.26 76.53 3 0 13.52 -999 ? CO CO C 601 >ALA.C 135 -78.06 -14.93 76.27 -79.02 -15.61 77.21 -78.54 -15.27 76.74 2 0 16.14 -999 ? CL CL C 584 >ALA.C 136 -79.58 -15.30 72.81 -79.40 -16.52 71.93 -79.49 -15.91 72.37 2 0 13.94 -999 ? CL CL C 584 >ALA.C 137 -82.99 -13.60 72.74 -83.22 -12.14 72.39 -83.11 -12.87 72.57 2 0 12.05 -999 ? CL CL C 584 >ALA.C 138 -86.19 -15.45 71.85 -87.20 -15.93 72.87 -86.70 -15.69 72.36 2 0 7.13 -999 ? CL CL C 584 >GLU.C 139 -88.71 -11.41 71.36 -90.66 -10.66 71.63 -89.69 -11.04 71.49 2 0 8.54 -999 ? CL CL C 584 >PRO.C 140 -87.22 -9.61 66.46 -85.79 -10.17 68.06 -86.51 -9.89 67.26 3 0 11.19 -999 ? CL CL C 584 >ILE.C 141 -83.11 -7.30 71.49 -83.89 -7.63 72.60 -83.50 -7.46 72.05 3 0 14.86 -999 ? CL CL C 584 >GLU.C 142 -86.27 -3.49 67.34 -88.12 -2.68 66.79 -87.19 -3.08 67.07 2 0 16.96 -999 ? CL CL C 584 >ASP.C 143 -80.39 -0.89 70.10 -80.22 -0.18 68.13 -80.30 -0.54 69.11 2 0 15.18 -999 ? CO CO C 601 >THR.C 144 -82.22 2.52 71.69 -80.36 3.18 72.55 -81.29 2.85 72.12 2 0 16.51 -999 ? CO CO C 601 >SER.C 145 -82.41 3.66 68.08 -80.25 4.77 67.85 -81.33 4.21 67.97 2 0 17.32 -999 ? CO CO C 601 >ASP.C 146 -86.28 1.74 66.92 -87.65 1.95 68.49 -86.96 1.84 67.70 2 0 21.33 -999 ? CL CL C 584 >ARG.C 147 -79.74 1.84 64.58 -76.98 1.75 65.88 -78.36 1.79 65.23 2 0 13.57 -999 ? CO CO C 601 >LEU.C 148 -83.41 -5.22 64.07 -83.86 -7.26 64.56 -83.64 -6.24 64.32 3 0 16.48 -999 ? CL CL C 584 >ARG^C 149 -77.65 -2.13 65.03 -75.31 -0.68 63.67 -76.48 -1.41 64.35 2 0 12.29 -999 ? CO CO C 601 >TRP^C 150 -76.23 -9.69 62.52 -78.48 -12.76 61.54 -77.35 -11.23 62.03 3 0 15.80 -999 ? CO CO C 601 >ARG^C 151 -70.79 -7.79 67.80 -68.24 -9.06 68.91 -69.52 -8.42 68.35 2 0 5.40 -999 ? CO CO C 601 >VAL.C 152 -70.52 -10.34 62.80 -71.19 -9.92 60.77 -70.85 -10.13 61.79 3 0 11.55 -999 ? CO CO C 601 >GLY.C 153 -66.84 -9.59 63.20 -67.45 -9.27 63.77 -67.14 -9.43 63.49 1 0 8.99 -999 ? CO CO C 601 >ASP.C 154 -64.40 -6.64 66.06 -64.14 -5.54 67.84 -64.27 -6.09 66.95 2 0 -3.38 -999 ? CO CO C 601s >SER.C 155 -68.39 -4.94 64.87 -68.03 -4.55 62.53 -68.21 -4.75 63.70 2 0 8.31 -999 ? CO CO C 601 >CSS^C 156 -72.04 -5.57 64.33 -72.90 -4.80 66.96 -72.47 -5.18 65.64 2 0 7.90 -999 ? CO CO C 601 >ARG^C 157 -71.60 -6.83 58.95 -72.37 -6.01 56.09 -71.98 -6.42 57.52 2 0 15.93 -999 ? CO CO C 601 >PRO^C 158 -77.37 -3.16 58.95 -77.17 -4.54 60.68 -77.27 -3.85 59.82 3 0 15.67 -999 ? CO CO C 601 >VAL.C 159 -80.20 -7.52 59.90 -80.18 -9.34 61.10 -80.19 -8.43 60.50 3 0 17.93 -999 ? CO CO C 601 >ASP~C 160 -84.27 -7.68 57.27 -83.21 -9.06 56.07 -83.74 -8.37 56.67 2 0 19.37 -999 ? CL CL C 584 >ARG~C 161 -89.43 -8.42 62.61 -89.09 -5.84 64.24 -89.26 -7.13 63.43 2 0 14.49 -999 ? CL CL C 584 >ALA~C 162 -86.68 -12.08 57.53 -86.71 -11.63 56.08 -86.69 -11.85 56.81 2 0 16.61 -999 ? CL CL C 584 >GLU~C 163 -80.59 -13.24 57.22 -78.89 -12.04 56.78 -79.74 -12.64 57.00 2 0 20.29 -999 ? CL CL C 584 >TRP~C 164 -81.91 -11.88 64.52 -84.68 -13.43 66.83 -83.29 -12.66 65.68 3 0 12.13 -999 ? CL CL C 584 >TRP~C 165 -88.29 -13.00 62.67 -89.04 -14.73 66.11 -88.67 -13.86 64.39 3 0 8.40 -999 ? CL CL C 584 >GLU~C 166 -83.28 -17.02 57.76 -82.74 -17.12 55.72 -83.01 -17.07 56.74 2 0 17.46 -999 ? CL CL C 584 >TYR~C 167 -79.59 -17.08 60.45 -77.92 -17.65 58.27 -78.76 -17.36 59.36 3 0 17.69 -999 ? CL CL C 584 >GLN~C 168 -85.77 -17.70 65.81 -85.79 -18.95 67.54 -85.78 -18.33 66.68 2 0 7.56 -999 ? CL CL C 584 >ARG~C 169 -88.56 -20.22 61.56 -89.08 -17.79 59.78 -88.82 -19.00 60.67 2 0 10.76 -999 ? CL CL C 584 >ALA~C 170 -82.47 -22.89 62.49 -81.70 -22.36 61.30 -82.08 -22.63 61.89 2 0 14.61 -999 ? CL CL C 584 >GLN~C 171 -78.51 -20.78 64.22 -76.68 -20.52 63.15 -77.59 -20.65 63.68 2 0 17.72 -999 ? CL CL C 584 >SER~C 172 -81.81 -21.43 68.51 -80.93 -19.16 68.25 -81.37 -20.29 68.38 2 0 12.19 -999 ? CL CL C 584 >GLY.C 173 -84.39 -22.32 71.14 -84.44 -22.11 70.32 -84.42 -22.21 70.73 1 0 9.47 -999 ? CL CL C 584 >PHE.C 174 -89.46 -25.37 69.23 -91.94 -25.81 68.01 -90.70 -25.59 68.62 3 0 7.41 -999 ? CL CL C 584 >ASP~C 175 -89.91 -19.49 68.70 -88.90 -18.18 70.00 -89.40 -18.83 69.35 2 0 -4.15 -999 ? CL CL C 584s >PRO~C 176 -93.93 -21.74 71.11 -92.92 -22.30 69.20 -93.43 -22.02 70.16 3 0 -3.42 -999 ? CL CL C 584s >MET?C 177 -95.21 -19.74 67.12 -98.46 -18.81 67.24 -96.84 -19.28 67.18 2 0 -6.00 -999 ? CL CL C 584s >ALA~C 178 -92.19 -19.32 64.83 -90.83 -18.87 65.35 -91.51 -19.09 65.09 2 0 4.93 -999 ? CL CL C 584 >GLN.C 179 -92.90 -25.37 63.56 -94.29 -26.82 64.24 -93.60 -26.10 63.90 2 0 9.95 -999 ? CL CL C 584 >VAL^C 180 -93.27 -23.45 59.78 -91.97 -23.45 58.01 -92.62 -23.45 58.89 3 0 11.89 -999 ? CL CL C 584 >THR^C 181 -96.75 -24.49 58.58 -97.96 -22.79 59.20 -97.36 -23.64 58.89 2 0 12.38 -999 ? CL CL C 584 >THR^C 182 -98.23 -25.72 55.29 -99.20 -27.60 55.82 -98.71 -26.66 55.56 2 0 17.68 -999 ? CL CL C 584 >ALA^C 183 -100.00 -22.41 54.67 -100.61 -21.55 55.76 -100.30 -21.98 55.21 2 0 16.19 -999 ? CL CL C 584 >THR^C 184 -98.68 -20.27 51.85 -98.93 -21.60 50.18 -98.81 -20.94 51.02 2 0 20.66 -999 ? CL CL C 584 >LEU.C 185 -98.22 -16.38 49.14 -98.12 -14.41 48.33 -98.17 -15.39 48.74 3 0 21.89 -999 ? CL CL C 584 >GLY~C 186 -102.39 -17.91 48.79 -102.22 -17.96 49.58 -102.31 -17.94 49.19 1 0 22.98 -999 ? CL CL C 584 >ASP~C 187 -103.40 -19.76 53.19 -103.22 -21.70 52.32 -103.31 -20.73 52.75 2 0 20.44 -999 ? CL CL C 584 >ALA~C 188 -103.33 -15.07 53.23 -102.13 -14.24 52.82 -102.73 -14.65 53.03 2 0 19.73 -999 ? CL CL C 584 >ARG~C 189 -109.06 -14.75 56.03 -112.01 -14.01 55.67 -110.54 -14.38 55.85 2 0 24.10 -999 ? CL CL C 584 >PRO~C 190 -108.54 -10.88 50.29 -106.74 -10.72 51.58 -107.64 -10.80 50.93 3 0 25.10 -999 ? CL CL C 584 >ALA~C 191 -108.78 -8.34 53.97 -110.03 -8.95 54.57 -109.41 -8.65 54.27 2 0 24.78 -999 ? CL CL C 584 >ALA~C 192 -106.09 -9.06 56.58 -105.65 -10.47 56.97 -105.87 -9.76 56.77 2 0 19.75 -999 ? CL CL C 584 >LEU~C 193 -103.00 -8.23 52.94 -101.63 -9.87 52.65 -102.32 -9.05 52.80 3 0 21.59 -999 ? CL CL C 584 >ALA~C 194 -105.60 -4.65 53.55 -107.05 -4.74 53.12 -106.32 -4.69 53.34 2 0 24.28 -999 ? CO CO D 601 >LEU~C 195 -106.36 -4.99 58.31 -108.33 -5.01 59.11 -107.35 -5.00 58.71 3 0 22.67 -999 ? CL CL C 584 >ALA~C 196 -102.04 -4.47 57.69 -101.28 -5.60 57.05 -101.66 -5.04 57.37 2 0 20.00 -999 ? CL CL C 584 >ARG~C 197 -101.59 -2.85 51.56 -98.99 -3.92 50.37 -100.29 -3.38 50.97 2 0 16.39 -999 ? CO CO D 601 >LYS~C 198 -104.01 0.78 56.54 -109.64 1.71 57.84 -106.82 1.25 57.19 2 0 27.92 -999 ? CO CO D 601 >TRP~C 199 -104.88 -0.11 61.57 -105.76 -3.85 62.37 -105.32 -1.98 61.97 3 0 22.14 -999 ? CL CL C 584 >ASP~C 200 -97.86 -0.32 59.17 -95.85 0.31 59.45 -96.85 0.00 59.31 2 0 20.61 -999 ? CO CO D 601 >PRO~C 201 -97.60 4.65 57.10 -98.20 2.68 56.26 -97.90 3.66 56.68 3 0 19.00 -999 ? CO CO D 601 >ALA~C 202 -94.53 1.50 55.48 -93.76 0.95 56.69 -94.14 1.22 56.09 2 0 17.21 -999 ? CO CO D 601 >PHE~C 203 -96.29 -3.03 55.49 -95.60 -3.71 58.10 -95.94 -3.37 56.80 3 0 19.15 -999 ? CO CO D 601 >ALA~C 204 -97.75 0.70 51.19 -98.11 2.15 51.52 -97.93 1.42 51.35 2 0 15.07 -999 ? CO CO D 601 >GLU~C 205 -93.46 2.20 47.40 -91.91 3.64 47.52 -92.69 2.92 47.46 2 0 8.08 -999 ? CO CO D 601 >LEU~C 206 -93.45 -3.68 49.36 -93.50 -4.08 51.46 -93.48 -3.88 50.41 3 0 13.18 -999 ? CO CO D 601 >THR~C 207 -96.25 -6.47 47.16 -94.79 -7.67 46.05 -95.52 -7.07 46.60 2 0 13.82 -999 ? CO CO D 601 >ASP~C 208 -99.56 -9.39 49.14 -101.26 -8.15 49.06 -100.41 -8.77 49.10 2 0 19.42 -999 ? CO CO D 601 >GLU~C 209 -93.93 -12.92 48.29 -93.28 -13.99 46.58 -93.60 -13.45 47.44 2 0 18.71 -999 ? CO CO D 601 >GLU~C 210 -92.24 -7.82 48.01 -91.50 -6.22 46.91 -91.87 -7.02 47.46 2 0 11.65 -999 ? CO CO D 601 >LEU~C 211 -96.40 -7.16 52.99 -97.68 -6.26 54.48 -97.04 -6.71 53.74 3 0 18.70 -999 ? CO CO D 601 >LEU~C 212 -96.30 -12.16 54.08 -98.42 -12.18 54.33 -97.36 -12.17 54.20 3 0 17.40 -999 ? CL CL C 584 >ARG~C 213 -89.08 -12.28 51.52 -90.33 -14.35 49.64 -89.71 -13.32 50.58 2 0 19.57 -999 ? CO CO D 601 >GLY~C 214 -90.68 -8.27 55.48 -91.13 -8.86 55.84 -90.91 -8.57 55.66 1 0 17.81 -999 ? CL CL C 584 >ILE~C 215 -94.08 -8.84 58.92 -95.44 -8.88 58.42 -94.76 -8.86 58.67 3 0 14.89 -999 ? CL CL C 584 >GLY.C 216 -90.92 -12.19 58.85 -91.68 -12.20 58.69 -91.30 -12.20 58.77 1 0 12.85 -999 ? CL CL C 584 >ALA.C 217 -93.87 -14.55 58.41 -95.29 -14.08 58.64 -94.58 -14.31 58.52 2 0 12.24 -999 ? CL CL C 584 >LEU.C 218 -93.37 -14.79 53.66 -94.06 -16.26 52.20 -93.71 -15.52 52.93 3 0 17.13 -999 ? CL CL C 584 >ASP.C 219 -91.11 -20.06 54.74 -89.54 -21.43 54.86 -90.32 -20.74 54.80 2 0 15.55 -999 ? CL CL C 584 >ALA.C 220 -87.74 -18.60 52.15 -86.28 -18.91 52.46 -87.01 -18.75 52.31 2 0 18.57 -999 ? CL CL C 584 >GLU.C 221 -88.84 -24.03 51.11 -86.98 -23.85 52.09 -87.91 -23.94 51.60 2 0 18.38 -999 ? CL CL D 584 >GLY.C 222 -92.88 -19.64 50.63 -92.78 -20.10 51.30 -92.83 -19.87 50.97 1 0 19.16 -999 ? CL CL C 584 >PHE^C 223 -94.22 -23.54 53.38 -94.46 -25.67 51.57 -94.34 -24.60 52.48 3 0 18.32 -999 ? CL CL C 584 >LEU^C 224 -97.59 -18.62 56.64 -98.74 -17.15 55.57 -98.16 -17.89 56.11 3 0 14.61 -999 ? CL CL C 584 >SER^C 225 -94.94 -19.42 60.14 -94.86 -17.26 61.17 -94.90 -18.34 60.66 2 0 8.89 -999 ? CL CL C 584 >GLN~C 226 -98.02 -21.99 64.75 -98.58 -23.51 63.37 -98.30 -22.75 64.06 2 0 9.77 -999 ? CL CL C 584 >ALA~C 227 -97.93 -16.67 63.68 -96.92 -15.73 64.29 -97.43 -16.20 63.99 2 0 7.32 -999 ? CL CL C 584 >GLY~C 228 -98.12 -15.71 60.03 -98.59 -16.26 60.52 -98.36 -15.99 60.28 1 0 11.37 -999 ? CL CL C 584 >LYS~C 229 -100.85 -18.31 59.60 -103.92 -22.53 60.59 -102.38 -20.42 60.10 2 0 14.76 -999 ? CL CL C 584 >LEU~C 230 -102.11 -17.28 64.16 -103.28 -17.00 65.97 -102.70 -17.14 65.07 3 0 10.86 -999 ? CL CL C 584 >LEU~C 231 -101.50 -12.61 62.11 -100.99 -12.21 64.19 -101.25 -12.41 63.15 3 0 12.26 -999 ? CL CL C 584 >PHE~C 232 -101.51 -12.01 57.45 -100.19 -9.63 58.10 -100.85 -10.82 57.77 3 0 16.32 -999 ? CL CL C 584 >THR~C 233 -105.33 -16.82 57.71 -104.44 -18.59 56.86 -104.88 -17.71 57.29 2 0 17.23 -999 ? CL CL C 584 >SER.C 234 -108.82 -17.92 58.80 -110.04 -17.79 56.70 -109.43 -17.85 57.75 2 0 21.48 -999 ? CL CL C 584 >LEU.C 235 -107.94 -19.00 63.43 -108.97 -17.67 64.74 -108.46 -18.34 64.09 3 0 16.45 -999 ? CL CL C 584 >ASP.C 236 -111.71 -22.51 61.03 -111.25 -22.41 58.95 -111.48 -22.46 59.99 2 0 21.53 -999 ? CL CL C 584 >ARG.C 237 -110.43 -21.97 67.56 -107.53 -21.30 68.42 -108.98 -21.64 67.99 2 0 14.81 -999 ? CL CL C 584 >THR.C 238 -113.83 -17.16 67.24 -115.61 -16.11 67.83 -114.72 -16.64 67.54 2 0 22.82 -999 ? CL CL C 584 >ALA.C 239 -110.75 -15.72 68.93 -109.63 -15.13 68.10 -110.19 -15.42 68.51 2 0 17.06 -999 ? CL CL C 584 >ILE^C 240 -111.33 -11.65 70.85 -111.03 -10.29 70.95 -111.18 -10.97 70.90 3 0 19.76 -999 ? CL CL C 584 >GLU^C 241 -116.81 -13.76 72.37 -118.13 -15.36 72.12 -117.47 -14.56 72.24 2 0 25.44 -999 ? CL CL C 584 >LEU^C 242 -117.52 -7.46 72.47 -118.03 -5.57 73.39 -117.78 -6.51 72.93 3 0 27.76 -999 ? CL CL C 584 >SER^C 243 -120.74 -9.02 75.25 -120.10 -11.34 75.53 -120.42 -10.18 75.39 2 0 28.64 -999 ? CL CL C 584 >ILE^C 244 -122.98 -4.70 75.43 -122.98 -3.63 74.61 -122.98 -4.17 75.02 3 0 33.70 -999 ? CL CL C 584 >PHE^C 245 -122.89 -7.82 80.91 -122.40 -10.55 80.75 -122.64 -9.18 80.83 3 0 33.02 -999 ? CL CL C 584 >ASP.C 246 -127.64 -3.62 81.93 -128.89 -1.93 81.72 -128.26 -2.78 81.83 2 0 41.34 -999 ? CL CL C 584 >VAL.C 247 -124.40 -3.51 84.93 -125.62 -3.03 86.67 -125.01 -3.27 85.80 3 0 38.96 -999 ? CL CL C 584 >HIS.C 248 -119.91 -6.80 87.59 -118.43 -8.28 87.39 -119.17 -7.54 87.49 3 0 33.50 -999 ? CL CL C 584 >GLY.C 249 -124.90 -8.46 87.67 -124.80 -8.51 86.83 -124.85 -8.49 87.25 1 0 37.97 -999 ? CL CL C 584 >GLY.C 250 -125.94 -10.14 84.48 -126.07 -9.34 84.58 -126.00 -9.74 84.53 1 0 37.06 -999 ? CL CL C 584 >GLN.C 251 -130.86 -8.08 82.06 -132.35 -9.48 82.74 -131.60 -8.78 82.40 2 0 42.42 -999 ? CL CL C 584 >VAL^C 252 -126.82 -9.40 78.54 -125.60 -10.97 77.65 -126.21 -10.19 78.09 3 0 35.26 -999 ? CL CL C 584 >LEU^C 253 -127.62 -4.99 76.69 -128.29 -3.77 78.34 -127.95 -4.38 77.51 3 0 38.53 -999 ? CL CL C 584 >ASN^C 254 -126.41 -6.28 72.44 -126.31 -6.84 70.40 -126.36 -6.56 71.42 2 0 35.33 -999 ? CL CL C 584 >ARG^C 255 -123.97 -13.17 72.68 -126.10 -13.79 74.86 -125.03 -13.48 73.77 2 0 33.82 -999 ? CL CL C 584 >VAL^C 256 -120.92 -9.13 69.06 -119.50 -7.51 68.66 -120.21 -8.32 68.86 3 0 29.10 -999 ? CL CL C 584 >VAL.C 257 -118.99 -12.14 67.79 -120.37 -13.70 68.46 -119.68 -12.92 68.13 3 0 27.32 -999 ? CL CL C 584 >PRO.C 258 -114.84 -12.22 66.46 -116.84 -12.01 65.51 -115.84 -12.11 65.98 3 0 24.04 -999 ? CL CL C 584 >GLU.C 259 -118.76 -13.57 60.23 -118.95 -11.46 60.50 -118.86 -12.51 60.36 2 0 28.47 -999 ? CL CL C 584 >PRO.C 260 -116.86 -18.73 62.10 -115.40 -17.11 62.44 -116.13 -17.92 62.27 3 0 24.31 -999 ? CL CL C 584 >GLU.C 261 -115.71 -18.06 57.77 -117.09 -16.54 58.25 -116.40 -17.30 58.01 2 0 26.77 -999 ? CL CL C 584 >LYS.C 262 -111.99 -14.04 59.64 -115.15 -9.79 58.43 -113.57 -11.92 59.04 2 0 26.39 -999 ? CL CL C 584 >SER~C 263 -108.26 -14.02 60.31 -107.31 -12.00 59.42 -107.78 -13.01 59.86 2 0 18.85 -999 ? CL CL C 584 >CYH~C 264 -107.07 -12.94 63.71 -106.01 -13.37 66.18 -106.54 -13.15 64.95 2 0 14.48 -999 ? CL CL C 584 >LEU~C 265 -105.39 -9.04 61.30 -103.34 -8.41 61.48 -104.36 -8.72 61.39 3 0 17.25 -999 ? CL CL C 584 >GLU~C 266 -109.88 -9.76 58.59 -110.49 -11.19 57.20 -110.18 -10.47 57.90 2 0 22.78 -999 ? CL CL C 584 >GLN~C 267 -111.69 -12.81 64.18 -111.83 -14.65 65.24 -111.76 -13.73 64.71 2 0 19.76 -999 ? CL CL C 584 >LEU~C 268 -107.68 -7.65 66.38 -106.53 -6.47 67.77 -107.11 -7.06 67.07 3 0 18.44 -999 ? CL CL C 584 >ASP~C 269 -110.20 -5.03 62.47 -111.06 -3.32 61.50 -110.63 -4.17 61.98 2 0 25.08 -999 ? CL CL C 584 >TYR~C 270 -115.99 -7.75 63.77 -118.76 -7.95 63.40 -117.38 -7.85 63.58 3 0 27.35 -999 ? CL CL C 584 >LEU~C 271 -112.94 -7.14 68.87 -114.46 -7.60 70.31 -113.70 -7.37 69.59 3 0 23.56 -999 ? CL CL C 584 >GLU~C 272 -109.50 -2.44 68.52 -107.63 -2.09 67.58 -108.56 -2.27 68.05 2 0 22.19 -999 ? CL CL C 584 >GLN~C 273 -114.22 -1.12 63.23 -115.18 -1.52 61.34 -114.70 -1.32 62.29 2 0 29.24 -999 ? CL CL C 584 >ALA~C 274 -117.46 -2.38 67.85 -117.89 -3.83 68.02 -117.68 -3.11 67.94 2 0 29.01 -999 ? CL CL C 584 >LEU~C 275 -114.48 -2.28 71.59 -114.21 -2.75 73.66 -114.34 -2.51 72.63 3 0 26.90 -999 ? CL CL C 584 >ASN~C 276 -114.71 2.15 68.33 -113.17 3.62 68.33 -113.94 2.89 68.33 2 0 30.07 -999 ? CL CL C 584 >VAL~C 277 -119.01 2.42 69.60 -120.38 1.95 68.01 -119.69 2.19 68.80 3 0 33.86 -999 ? CL CL C 584 >VAL~C 278 -119.61 1.04 73.06 -119.77 -1.07 73.45 -119.69 -0.02 73.26 3 0 32.73 -999 ? CL CL C 584 >ASN~C 279 -115.69 3.63 73.99 -114.37 4.11 75.59 -115.03 3.87 74.79 2 0 31.75 -999 ? CL CL C 584 >LYS.C 280 -120.03 6.05 74.59 -122.57 3.04 78.83 -121.30 4.55 76.71 2 0 37.76 -999 ? CL CL C 584 >ASN.C 281 -117.15 9.19 74.17 -116.52 11.14 73.62 -116.83 10.17 73.90 2 0 38.15 -999 ? CL CL C 584 >VAL.C 293 -113.74 12.52 76.49 -112.88 13.35 78.29 -113.31 12.94 77.39 3 0 36.86 -999 ? CO CO A 601 >PRO.C 294 -112.15 8.63 75.41 -114.10 9.39 76.11 -113.13 9.01 75.76 3 0 34.72 -999 ? CL CL C 584 >GLU.C 295 -118.01 6.32 78.59 -119.73 5.11 78.93 -118.87 5.72 78.76 2 0 36.91 -999 ? CL CL C 584 >ILE.C 296 -112.43 3.31 79.04 -112.29 2.04 79.75 -112.36 2.68 79.39 3 0 30.36 -999 ? CL CL C 584 >PRO~C 297 -108.10 5.53 79.33 -109.60 5.95 77.73 -108.85 5.74 78.53 3 0 30.37 -999 ? CL CL C 584 >ARG~C 298 -111.47 5.32 72.07 -113.28 7.62 71.11 -112.38 6.47 71.59 2 0 33.21 -999 ? CL CL C 584 >LEU~C 299 -104.22 4.63 74.85 -102.11 4.40 74.57 -103.16 4.52 74.71 3 0 25.77 -999 ? CL CL C 584 >ALA~C 300 -106.04 1.77 77.63 -106.76 2.36 78.84 -106.40 2.06 78.23 2 0 26.70 -999 ? CL CL C 584 >VAL~C 301 -108.63 -0.27 75.75 -110.69 0.01 75.10 -109.66 -0.13 75.42 3 0 25.54 -999 ? CL CL C 584 >ARG~C 302 -104.93 0.44 69.47 -107.22 2.51 69.49 -106.07 1.47 69.48 2 0 25.48 -999 ? CL CL C 584 >GLU~C 303 -101.59 -1.08 76.19 -100.59 -0.55 74.40 -101.09 -0.81 75.29 2 0 20.16 -999 ? CL CL C 584 >ALA~C 304 -105.70 -4.53 76.95 -106.93 -4.19 77.77 -106.32 -4.36 77.36 2 0 21.61 -999 ? CL CL C 584 >MET?C 305 -107.01 -5.93 73.67 -110.41 -5.74 73.04 -108.71 -5.84 73.35 2 0 21.91 -999 ? CL CL C 584 >LEU~C 306 -102.76 -5.33 71.57 -102.84 -4.14 69.80 -102.80 -4.73 70.69 3 0 17.04 -999 ? CL CL C 584 >ASN~C 307 -102.15 -7.20 76.55 -100.46 -5.98 76.87 -101.31 -6.59 76.71 2 0 16.32 -999 ? CL CL C 584 >ALA~C 308 -104.90 -10.37 75.27 -106.37 -10.07 75.41 -105.64 -10.22 75.34 2 0 16.85 -999 ? CL CL C 584 >MET?C 309 -104.63 -11.09 71.54 -107.01 -11.36 69.24 -105.82 -11.23 70.39 2 0 15.78 -999 ? CL CL C 584 >ILE~C 310 -99.88 -10.32 72.02 -98.81 -9.51 71.53 -99.34 -9.91 71.78 3 0 10.98 -999 ? CL CL C 584 >HIS~C 311 -98.70 -11.61 76.42 -96.94 -10.56 76.03 -97.82 -11.09 76.22 3 0 11.05 -999 ? CL CL C 584 >ARG~C 312 -106.13 -16.26 72.31 -107.78 -18.77 72.93 -106.96 -17.51 72.62 2 0 15.11 -999 ? CL CL C 584 >ASP.C 313 -103.97 -19.89 76.25 -103.01 -21.76 76.71 -103.49 -20.82 76.48 2 0 12.57 -999 ? CL CL C 584 >TRP.C 314 -102.31 -16.95 70.90 -105.64 -15.99 69.08 -103.97 -16.47 69.99 3 0 11.17 -999 ? CL CL C 584 >ASN.C 315 -102.69 -24.08 73.44 -102.52 -26.21 73.32 -102.60 -25.14 73.38 2 0 12.65 -999 ? CL CL C 584 >ARG.C 316 -107.12 -23.53 77.74 -108.14 -21.75 80.00 -107.63 -22.64 78.87 2 0 18.53 -999 ? CL CL C 584 >SER.C 317 -110.62 -23.22 72.61 -111.00 -25.61 72.89 -110.81 -24.42 72.75 2 0 19.54 -999 ? CL CL C 584 >GLU.C 318 -111.50 -20.87 76.89 -111.18 -22.92 77.34 -111.34 -21.89 77.11 2 0 20.15 -999 ? CL CL C 584 >PRO.C 319 -114.25 -18.02 71.64 -112.56 -17.83 73.06 -113.40 -17.93 72.35 3 0 20.57 -999 ? CL CL C 584 >ILE^C 320 -110.18 -13.06 74.06 -108.96 -12.34 73.99 -109.57 -12.70 74.02 3 0 18.10 -999 ? CL CL C 584 >ASP^C 321 -114.74 -13.87 77.65 -116.73 -13.28 78.12 -115.73 -13.57 77.89 2 0 25.71 -999 ? CL CL C 584 >VAL^C 322 -114.47 -9.23 76.72 -114.02 -7.75 75.16 -114.24 -8.49 75.94 3 0 24.33 -999 ? CL CL C 584 >ARG^C 323 -116.58 -10.10 80.49 -118.62 -11.96 81.86 -117.60 -11.03 81.18 2 0 29.10 -999 ? CL CL C 584 >TRP^C 324 -119.76 -1.01 77.66 -116.36 0.96 77.64 -118.06 -0.03 77.65 3 0 32.19 -999 ? CL CL C 584 >ILE^C 325 -120.00 -2.81 83.03 -120.78 -3.88 83.47 -120.39 -3.34 83.25 3 0 34.15 -999 ? CL CL C 584 >GLU.C 326 -123.46 -0.14 77.95 -124.78 0.80 76.57 -124.12 0.33 77.26 2 0 37.86 -999 ? CL CL C 584 >LEU.C 327 -124.58 1.18 84.37 -126.67 1.67 84.08 -125.63 1.42 84.23 3 0 40.94 -999 ? CL CL C 584 >ASP.C 328 -120.05 0.09 86.42 -121.70 -0.54 87.59 -120.88 -0.23 87.01 2 0 38.32 -999 ? CL CL C 584 >SER.C 329 -118.33 2.40 82.55 -119.23 4.64 82.42 -118.78 3.52 82.48 2 0 37.28 -999 ? CL CL C 584 >THR^C 330 -116.01 -0.55 82.99 -116.37 -1.80 84.74 -116.19 -1.18 83.86 2 0 32.46 -999 ? CL CL C 584 >LEU^C 331 -113.68 -2.53 79.43 -112.50 -3.43 77.85 -113.09 -2.98 78.64 3 0 26.97 -999 ? CL CL C 584 >ILE^C 332 -114.14 -7.43 82.44 -114.55 -7.94 83.71 -114.34 -7.69 83.08 3 0 27.43 -999 ? CL CL C 584 >VAL^C 333 -111.01 -8.81 79.36 -109.95 -7.95 77.67 -110.48 -8.38 78.51 3 0 22.07 -999 ? CL CL C 584 >ARG^C 334 -113.62 -14.45 82.18 -115.28 -12.82 84.18 -114.45 -13.63 83.18 2 0 27.16 -999 ? CL CL C 584 >SER^C 335 -108.07 -14.33 78.47 -107.07 -12.56 77.22 -107.57 -13.45 77.85 2 0 17.04 -999 ? CL CL C 584 >PRO^C 336 -107.98 -17.86 76.05 -107.81 -17.41 78.22 -107.90 -17.63 77.13 3 0 16.64 -999 ? CL CL C 584 >GLY.C 337 -104.47 -19.23 80.10 -105.01 -18.77 80.56 -104.74 -19.00 80.33 1 0 15.45 -999 ? CL CL C 584 >GLY.C 338 -102.69 -18.33 83.30 -102.20 -18.33 82.60 -102.44 -18.33 82.95 1 0 16.65 -999 ? CL CL C 584 >PHE.C 339 -99.94 -14.69 85.68 -101.43 -12.34 85.96 -100.69 -13.52 85.82 3 0 18.52 -999 ? CL CL C 584 >PRO.C 340 -95.55 -16.26 82.27 -96.75 -17.94 83.08 -96.15 -17.10 82.67 3 0 13.38 -999 ? CL CL C 584 >ALA.C 341 -95.31 -20.17 86.23 -95.15 -21.70 86.19 -95.23 -20.94 86.21 2 0 16.85 -999 ? CL CL C 584 >ALA.C 342 -92.84 -17.55 87.44 -91.85 -17.55 86.27 -92.35 -17.55 86.85 2 0 16.59 -999 ? CL CL C 584 >ILE.C 343 -95.23 -13.68 85.99 -94.20 -12.65 85.93 -94.71 -13.17 85.96 3 0 17.19 -999 ? CL CL C 584 >THR.C 344 -97.52 -13.14 89.84 -97.22 -12.69 91.95 -97.37 -12.91 90.90 2 0 23.36 -999 ? CL CL C 584 >SER.C 345 -100.16 -10.36 89.94 -102.34 -11.43 90.32 -101.25 -10.90 90.13 2 0 23.71 -999 ? CL CL C 584 >GLU.C 346 -98.67 -8.18 93.99 -99.56 -10.05 94.37 -99.12 -9.11 94.18 2 0 26.88 -999 ? CL CL C 584 >ASN.C 347 -94.12 -10.24 89.54 -92.04 -10.32 89.22 -93.08 -10.28 89.38 2 0 21.19 -999 ? CL CL C 584 >VAL.C 348 -96.44 -8.49 85.80 -98.53 -9.03 86.13 -97.49 -8.76 85.97 3 0 19.50 -999 ? CL CL C 584 >LEU.C 349 -96.19 -3.64 86.35 -98.18 -3.26 87.11 -97.18 -3.45 86.73 3 0 23.16 -999 ? CL CL C 584 >SER.C 350 -92.05 -5.59 85.36 -91.56 -7.20 87.11 -91.80 -6.39 86.24 2 0 20.84 -999 ? CL CL C 584 >ASN.C 351 -93.20 -9.86 83.32 -92.96 -11.36 81.83 -93.08 -10.61 82.57 2 0 14.10 -999 ? CL CL C 584 >ARG.C 352 -90.67 -5.41 79.61 -91.41 -3.48 81.89 -91.04 -4.44 80.75 2 0 19.49 -999 ? CL CL C 584 >ALA.C 353 -90.89 -12.23 78.58 -90.24 -13.31 79.43 -90.57 -12.77 79.00 2 0 11.39 -999 ? CL CL C 584 >ALA.C 354 -93.82 -13.18 76.36 -94.06 -12.52 75.01 -93.94 -12.85 75.69 2 0 8.14 -999 ? CL CL C 584 >ARG.C 355 -98.83 -18.42 76.15 -100.54 -18.58 78.70 -99.69 -18.50 77.42 2 0 11.69 -999 ? CL CL C 584 >TYR~C 356 -97.36 -17.65 71.77 -99.04 -19.72 72.59 -98.20 -18.68 72.18 3 0 5.72 -999 ? CL CL C 584 >PRO~C 357 -90.97 -15.64 72.82 -92.54 -14.89 71.48 -91.76 -15.26 72.15 3 0 -4.33 -999 ? CL CL C 584s >ALA~C 358 -92.55 -15.15 67.52 -92.60 -16.52 66.90 -92.58 -15.84 67.21 2 0 -3.59 -999 ? CL CL C 584s >LEU~C 359 -97.27 -14.65 68.48 -99.24 -13.82 68.14 -98.25 -14.23 68.31 3 0 7.00 -999 ? CL CL C 584 >ALA~C 360 -95.30 -10.94 69.82 -94.61 -11.01 71.16 -94.96 -10.97 70.49 2 0 7.93 -999 ? CL CL C 584 >ASP~C 361 -91.25 -10.48 67.16 -90.18 -9.43 65.68 -90.72 -9.95 66.42 2 0 10.47 -999 ? CL CL C 584 >LEU~C 362 -95.68 -11.48 64.08 -96.32 -11.83 62.02 -96.00 -11.65 63.05 3 0 10.14 -999 ? CL CL C 584 >TYR~C 363 -99.19 -8.45 67.30 -101.64 -9.75 66.95 -100.42 -9.10 67.12 3 0 12.37 -999 ? CL CL C 584 >ARG~C 364 -91.82 -4.78 69.40 -90.16 -2.19 69.64 -90.99 -3.49 69.52 2 0 16.71 -999 ? CL CL C 584 >ALA~C 365 -93.33 -5.91 62.86 -93.13 -7.28 62.22 -93.23 -6.59 62.54 2 0 13.64 -999 ? CL CL C 584 >LEU~C 366 -98.10 -5.50 62.14 -97.98 -6.97 60.58 -98.04 -6.24 61.36 3 0 15.81 -999 ? CL CL C 584 >GLY.C 367 -96.28 -1.69 64.12 -96.89 -2.28 64.20 -96.58 -1.99 64.16 1 0 18.17 -999 ? CL CL C 584 >LEU.C 368 -100.06 -3.81 65.92 -100.55 -4.12 63.82 -100.30 -3.96 64.87 3 0 17.11 -999 ? CL CL C 584 >VAL.C 369 -97.61 -2.51 69.76 -97.94 -4.63 69.99 -97.77 -3.57 69.87 3 0 15.82 -999 ? CL CL C 584 >ASP.C 370 -95.10 0.05 73.03 -96.80 1.27 72.94 -95.95 0.66 72.99 2 0 20.52 -999 ? CL CL C 584 >LYS.C 371 -91.64 -2.30 72.93 -87.19 -0.34 76.18 -89.42 -1.32 74.55 2 0 20.26 -999 ? CL CL C 584 >GLN~C 372 -92.59 -6.54 76.91 -94.15 -7.75 76.08 -93.37 -7.15 76.49 2 0 12.65 -999 ? CL CL C 584 >GLY~C 373 -93.43 -2.89 79.14 -93.57 -2.50 78.36 -93.50 -2.69 78.75 1 0 18.35 -999 ? CL CL C 584 >VAL~C 374 -94.34 0.39 77.47 -93.17 1.58 76.05 -93.75 0.99 76.76 3 0 20.86 -999 ? CL CL C 584 >GLY~C 375 -97.69 -1.16 76.59 -97.37 -0.98 77.33 -97.53 -1.07 76.96 1 0 19.35 -999 ? CL CL C 584 >VAL~C 376 -98.98 -2.01 80.03 -98.32 -3.24 81.67 -98.65 -2.63 80.85 3 0 20.29 -999 ? CL CL C 584 >ASP~C 377 -95.67 1.21 81.61 -94.57 -0.09 82.82 -95.12 0.56 82.21 2 0 22.75 -999 ? CL CL C 584 >ARG~C 378 -97.22 4.20 75.90 -98.73 5.49 73.58 -97.98 4.85 74.74 2 0 25.10 -999 ? CL CL C 584 >MET?C 379 -102.08 1.66 80.11 -104.11 -1.99 80.03 -103.10 -0.17 80.07 2 0 22.50 -999 ? CL CL C 584 >TYR~C 380 -100.91 0.39 85.27 -101.43 -2.13 86.32 -101.17 -0.87 85.80 3 0 25.30 -999 ? CL CL C 584 >GLN~C 381 -99.54 7.03 81.35 -100.28 8.99 81.74 -99.91 8.01 81.54 2 0 29.29 -999 ? CO CO A 601 >ALA~C 382 -103.31 6.65 81.02 -103.67 5.83 79.79 -103.49 6.24 80.40 2 0 28.52 -999 ? CL CL C 584 >MET?C 383 -105.76 5.51 83.70 -108.06 3.39 82.51 -106.91 4.45 83.10 2 0 29.57 -999 ? CL CL C 584 >ILE~C 384 -102.57 6.99 87.01 -102.76 6.35 88.32 -102.66 6.66 87.66 3 0 32.47 -999 ? CL CL C 584 >ALA~C 385 -103.62 10.54 84.70 -102.93 10.70 83.33 -103.27 10.62 84.01 2 0 30.77 -999 ? CO CO A 601 >LEU~C 386 -108.19 10.13 83.33 -107.65 9.97 81.22 -107.92 10.05 82.28 3 0 34.65 -999 ? CO CO A 601 >GLY.C 387 -108.00 10.13 88.14 -108.04 9.54 87.61 -108.02 9.84 87.87 1 0 36.90 -999 ? CO CO A 601 >HIS.C 388 -110.53 6.81 85.25 -111.93 7.90 84.13 -111.23 7.35 84.69 3 0 35.08 -999 ? CL CL C 584 >ARG.C 389 -111.11 1.37 90.43 -113.09 1.54 92.77 -112.10 1.46 91.60 2 0 36.61 -999 ? CL CL C 584 >PRO.C 390 -104.47 1.38 90.12 -105.62 2.02 88.32 -105.05 1.70 89.22 3 0 30.62 -999 ? CL CL C 584 >PRO.C 391 -104.25 -0.96 84.51 -105.84 -0.80 86.05 -105.04 -0.88 85.28 3 0 26.49 -999 ? CL CL C 584 >THR^C 392 -106.35 -4.69 87.72 -108.14 -4.44 88.92 -107.24 -4.56 88.32 2 0 28.24 -999 ? CL CL C 584 >ILE^C 393 -103.88 -7.62 85.05 -102.49 -7.59 84.61 -103.18 -7.60 84.83 3 0 21.27 -999 ? CL CL C 584 >GLU^C 394 -105.91 -12.13 90.33 -107.73 -12.67 91.31 -106.82 -12.40 90.82 2 0 26.77 -999 ? CL CL C 584 >GLU^C 395 -104.37 -17.19 86.92 -102.71 -18.51 87.16 -103.54 -17.85 87.04 2 0 19.92 -999 ? CL CL C 584 >ILE^C 396 -109.96 -15.95 87.13 -110.61 -15.52 88.34 -110.28 -15.74 87.74 3 0 25.10 -999 ? CL CL C 584 >ALA.C 397 -109.71 -20.29 87.93 -110.80 -20.83 88.83 -110.26 -20.56 88.38 2 0 26.17 -999 ? CL CL C 584 >GLY.C 398 -109.58 -21.76 84.45 -108.93 -22.07 84.86 -109.25 -21.91 84.66 1 0 22.36 -999 ? CL CL C 584 >PRO.C 399 -105.14 -22.02 82.86 -107.03 -21.56 83.89 -106.09 -21.79 83.37 3 0 19.13 -999 ? CL CL C 584 >PHE^C 400 -110.08 -17.80 82.17 -111.79 -18.92 80.25 -110.94 -18.36 81.21 3 0 21.27 -999 ? CL CL C 584 >VAL^C 401 -106.33 -13.83 83.21 -104.19 -13.58 82.96 -105.26 -13.71 83.09 3 0 18.76 -999 ? CL CL C 584 >GLU^C 402 -110.28 -11.04 85.49 -112.28 -11.31 86.17 -111.28 -11.18 85.83 2 0 26.35 -999 ? CL CL C 584 >THR^C 403 -107.90 -7.22 83.22 -106.21 -6.60 82.04 -107.06 -6.91 82.63 2 0 21.68 -999 ? CL CL C 584 >THR^C 404 -110.47 -4.81 84.62 -111.93 -5.44 86.09 -111.20 -5.13 85.36 2 0 28.27 -999 ? CL CL C 584 >LEU^C 405 -110.22 -0.78 82.13 -108.50 -1.51 81.06 -109.36 -1.14 81.60 3 0 26.72 -999 ? CL CL C 584 >VAL^C 406 -112.93 1.12 85.39 -113.87 0.47 87.21 -113.40 0.79 86.30 3 0 32.67 -999 ? CL CL C 584 >GLY.C 407 -113.42 4.53 83.80 -114.03 4.30 84.17 -113.72 4.41 83.99 1 0 33.92 -999 ? CL CL C 584 >GLY.C 408 -116.28 6.97 83.46 -115.51 7.23 83.30 -115.89 7.10 83.38 1 0 37.22 -999 ? CL CL C 584 >ARG.C 409 -119.34 12.62 84.85 -120.33 14.41 82.55 -119.83 13.51 83.70 2 0 43.84 -999 ? CO CO A 601 >PRO.C 410 -112.78 13.28 83.06 -113.09 11.79 84.68 -112.93 12.54 83.87 3 0 38.24 -999 ? CO CO A 601 >VAL~C 411 -111.75 13.54 88.35 -110.77 12.09 89.69 -111.26 12.82 89.02 3 0 38.71 -999 ? CO CO A 601 >LEU~C 412 -112.43 18.34 87.89 -113.85 17.79 86.35 -113.14 18.07 87.12 3 0 37.83 -999 ? CO CO A 601 >PRO~C 413 -110.37 16.70 91.85 -109.53 17.88 90.15 -109.95 17.29 91.00 3 0 37.15 -999 ? CO CO A 601 >VAL~C 414 -106.57 15.40 89.13 -106.29 13.28 89.53 -106.43 14.34 89.33 3 0 34.47 -999 ? CO CO A 601 >LEU~C 415 -108.20 16.95 84.82 -108.68 15.68 83.15 -108.44 16.32 83.98 3 0 33.01 -999 ? CO CO A 601 >GLU~C 416 -107.35 20.96 88.43 -108.88 22.37 88.98 -108.11 21.66 88.70 2 0 34.13 -999 ? CO CO A 601 >LEU~C 417 -103.35 17.77 89.96 -101.42 17.45 90.92 -102.38 17.61 90.44 3 0 30.91 -999 ? CO CO A 601 >VAL~C 418 -101.64 17.29 85.88 -101.91 15.28 85.09 -101.77 16.28 85.49 3 0 28.19 -999 ? CO CO A 601 >SER~C 419 -102.02 20.55 83.98 -104.27 20.34 83.12 -103.15 20.44 83.55 2 0 27.84 -999 ? CO CO A 601 >SER~C 420 -99.82 22.38 86.50 -101.74 23.02 87.82 -100.78 22.70 87.16 2 0 27.52 -999 ? CO CO A 601 >ILE^C 421 -97.15 18.40 85.58 -96.67 17.56 86.72 -96.91 17.98 86.15 3 0 24.28 -999 ? CO CO A 601 >VAL^C 422 -93.63 21.18 84.98 -93.42 23.32 84.78 -93.53 22.25 84.88 3 0 19.69 -999 ? CO CO A 601 >PRO~C 423 -90.07 18.79 83.18 -91.61 20.29 83.64 -90.84 19.54 83.41 3 0 17.91 -999 ? CO CO A 601 >GLU~C 424 -96.21 20.69 78.67 -96.29 21.50 76.71 -96.25 21.10 77.69 2 0 18.14 -999 ? CO CO A 601 >ALA~C 425 -93.07 16.65 79.41 -91.64 16.47 78.91 -92.35 16.56 79.16 2 0 17.64 -999 ? CO CO A 601 >ARG~C 426 -91.01 14.52 84.74 -88.21 15.48 85.59 -89.61 15.00 85.17 2 0 20.19 -999 ? CO CO A 601 >GLN~C 427 -97.86 17.75 82.02 -99.31 19.06 81.16 -98.59 18.41 81.59 2 0 23.18 -999 ? CO CO A 601 >ASP.C 428 -98.29 11.90 79.57 -97.10 12.96 78.19 -97.69 12.43 78.88 2 0 23.42 -999 ? CO CO A 601 >ASP~C 429 -93.75 11.14 83.42 -92.00 10.01 83.93 -92.88 10.57 83.67 2 0 24.54 -999 ? CO CO A 601 >TYR~C 430 -94.99 4.25 84.24 -95.44 1.82 85.60 -95.22 3.03 84.92 3 0 26.55 -999 ? CL CL C 584 >ARG~C 431 -89.45 7.30 86.09 -87.96 9.29 84.31 -88.70 8.29 85.20 2 0 23.58 -999 ? CO CO A 601 >ILE~C 432 -94.70 12.00 87.85 -95.10 12.27 87.22 -94.90 12.14 87.54 3 0 26.70 -999 ? CO CO A 601 >ALA~C 433 -98.09 8.97 87.86 -98.55 8.30 86.56 -98.32 8.64 87.21 2 0 30.62 -999 ? CO CO A 601 >ILE~C 434 -96.14 4.90 89.79 -96.88 3.62 89.90 -96.51 4.26 89.85 3 0 30.67 -999 ? CL CL C 584 >VAL~C 435 -95.65 8.27 92.62 -93.73 9.19 92.84 -94.69 8.73 92.73 3 0 31.86 -999 ? CO CO A 601 >LEU~C 436 -99.15 11.52 91.73 -98.55 13.57 91.76 -98.85 12.55 91.75 3 0 31.40 -999 ? CO CO A 601 >TYR~C 437 -102.38 5.69 92.05 -104.29 3.80 92.85 -103.34 4.75 92.45 3 0 34.19 -999 ? CL CL C 584 >LEU~C 438 -97.85 5.74 95.65 -97.04 3.75 95.52 -97.45 4.74 95.58 3 0 35.13 -999 ? CL CL C 584 >LEU~C 439 -98.74 10.53 97.51 -96.77 10.97 98.31 -97.75 10.75 97.91 3 0 35.89 -999 ? CO CO A 601 >PHE~C 440 -103.52 10.45 94.36 -102.89 12.43 92.47 -103.20 11.44 93.42 3 0 35.69 -999 ? CO CO A 601 >GLN.C 441 -103.39 4.74 96.96 -105.36 3.97 96.73 -104.38 4.36 96.84 2 0 37.30 -999 ? CL CL C 584 >ARG.C 442 -98.48 3.90 100.55 -98.84 0.85 100.86 -98.66 2.37 100.71 2 0 37.17 -999 ? CL CL C 584 >PRO.C 443 -99.81 8.53 105.46 -100.12 9.18 103.36 -99.96 8.86 104.41 3 0 42.70 -999 ? CO CO A 601 >PHE^C 444 -95.46 7.69 105.28 -95.55 5.20 106.58 -95.51 6.45 105.93 3 0 43.15 -999 ? CO CO A 601 >ILE^C 445 -94.50 7.48 99.26 -94.54 6.91 98.69 -94.52 7.20 98.98 3 0 37.05 -999 ? CO CO A 601 >THR~C 446 -91.05 5.12 101.06 -90.42 3.47 102.28 -90.73 4.30 101.67 2 0 39.42 -999 ? CL CL C 584 >ILE~C 447 -87.02 4.11 98.63 -85.70 3.62 98.57 -86.36 3.87 98.60 3 0 35.73 -999 ? CO CO C 601 >ASP~C 448 -89.43 -0.25 100.65 -87.46 -0.69 101.30 -88.44 -0.47 100.98 2 0 36.72 -999 ? CL CL C 584 >VAL~C 449 -93.12 1.08 98.52 -94.76 1.86 99.67 -93.94 1.47 99.10 3 0 35.59 -999 ? CL CL C 584 >VAL~C 450 -92.45 3.01 95.34 -91.66 4.97 94.93 -92.06 3.99 95.14 3 0 34.03 -999 ? CL CL C 584 >ALA~C 451 -90.47 -0.02 94.27 -89.28 -0.58 95.02 -89.88 -0.30 94.64 2 0 31.28 -999 ? CL CL C 584 >ARG~C 452 -94.63 -4.51 98.04 -93.29 -2.85 100.26 -93.96 -3.68 99.15 2 0 34.36 -999 ? CL CL C 584 >GLY~C 453 -95.66 -0.23 93.22 -94.93 -0.56 92.93 -95.29 -0.39 93.07 1 0 29.94 -999 ? CL CL C 584 >LEU~C 454 -92.18 0.63 89.95 -92.07 2.73 89.64 -92.13 1.68 89.80 3 0 28.56 -999 ? CL CL C 584 >GLN~C 455 -95.27 -4.06 90.19 -96.66 -5.63 89.78 -95.97 -4.85 89.99 2 0 24.16 -999 ? CL CL C 584 >SER.C 456 -89.17 -3.14 90.05 -87.69 -2.33 88.29 -88.43 -2.74 89.17 2 0 25.26 -999 ? CL CL C 584 >GLY~C 457 -85.85 -3.02 91.86 -86.31 -2.39 91.68 -86.08 -2.70 91.77 1 0 28.00 -999 ? CL CL C 584 >LYS~C 458 -84.87 -0.40 94.42 -81.91 -2.11 99.28 -83.39 -1.26 96.85 2 0 32.99 -999 ? CO CO C 601 >GLU~C 459 -80.68 0.48 91.06 -79.87 2.36 91.59 -80.27 1.42 91.33 2 0 26.18 -999 ? CO CO C 601 >ALA~C 460 -86.04 2.04 89.37 -86.94 1.00 88.72 -86.49 1.52 89.04 2 0 27.97 -999 ? CL CL C 584 >ALA~C 461 -87.69 3.28 92.56 -87.84 2.43 93.81 -87.77 2.85 93.18 2 0 32.39 -999 ? CL CL C 584 >ARG~C 462 -81.95 5.97 95.67 -80.43 3.47 96.62 -81.19 4.72 96.14 2 0 30.90 -999 ? CO CO C 601 >ASN~C 463 -84.96 5.95 88.71 -85.49 6.85 86.82 -85.22 6.40 87.76 2 0 26.22 -999 ? CO CO A 601 >ALA~C 464 -88.86 7.32 89.99 -89.87 6.21 90.26 -89.37 6.76 90.13 2 0 29.98 -999 ? CO CO A 601 >LEU~C 465 -88.12 8.78 94.62 -89.18 7.87 96.23 -88.65 8.32 95.42 3 0 31.77 -999 ? CO CO A 601 >GLU~C 466 -83.51 10.95 92.58 -83.16 12.74 93.67 -83.33 11.85 93.12 2 0 26.71 -999 ? CO CO A 601 >ALA~C 467 -87.86 12.18 88.75 -88.45 11.11 87.85 -88.15 11.65 88.30 2 0 24.57 -999 ? CO CO A 601 >ALA~C 468 -90.88 13.28 90.78 -91.74 12.37 91.65 -91.31 12.82 91.22 2 0 27.73 -999 ? CO CO A 601 >ARG~C 469 -85.68 15.35 95.48 -82.83 16.08 94.65 -84.25 15.71 95.06 2 0 25.86 -999 ? CO CO A 601 >GLN~C 470 -85.08 16.65 90.26 -83.51 15.84 89.07 -84.30 16.25 89.66 2 0 21.27 -999 ? CO CO A 601 >THR.C 471 -91.00 17.81 88.89 -92.16 16.36 87.76 -91.58 17.09 88.32 2 0 23.10 -999 ? CO CO A 601 >THR^C 472 -92.85 20.91 90.07 -91.40 22.47 89.76 -92.12 21.69 89.91 2 0 22.03 -999 ? CO CO A 601 >VAL^C 473 -96.49 21.82 90.24 -97.99 20.62 91.23 -97.24 21.22 90.73 3 0 26.53 -999 ? CO CO A 601 >ALA.C 474 -97.68 25.30 91.11 -98.74 25.01 92.16 -98.21 25.15 91.63 2 0 27.95 -999 ? CO CO A 601 >GLY.C 475 -94.10 26.38 91.76 -94.34 25.68 92.03 -94.22 26.03 91.89 1 0 24.64 -999 ? CO CO A 601 >ALA^C 476 -93.39 23.69 94.32 -94.27 23.69 95.57 -93.83 23.69 94.94 2 0 28.16 -999 ? CO CO A 601 >PRO^C 477 -90.66 20.82 95.93 -92.03 20.89 94.18 -91.35 20.86 95.05 3 0 26.89 -999 ? CO CO A 601 >LEU.C 478 -94.32 16.20 92.70 -95.73 15.87 91.11 -95.02 16.04 91.91 3 0 27.75 -999 ? CO CO A 601 >ILE^C 479 -92.56 14.01 96.61 -92.25 12.85 95.77 -92.40 13.43 96.19 3 0 30.93 -999 ? CO CO A 601 >ILE^C 480 -91.64 17.57 100.69 -90.99 18.82 100.37 -91.31 18.19 100.53 3 0 32.42 -999 ? CO CO A 601 >ALA^C 481 -88.34 14.73 101.79 -86.93 14.52 101.28 -87.64 14.63 101.53 2 0 33.11 -999 ? CO CO A 601 >HIS^C 482 -90.79 16.07 107.15 -90.83 17.31 108.85 -90.81 16.69 108.00 3 0 39.47 -999 ? CO CO A 601 >ASP.C 483 -88.69 11.92 108.71 -89.70 13.16 110.08 -89.19 12.54 109.40 2 0 42.19 -999 ? CO CO A 601 >GLY.C 484 -86.53 9.43 106.26 -87.33 9.71 106.18 -86.93 9.57 106.22 1 0 39.62 -999 ? CO CO A 601 >VAL^C 485 -89.77 9.40 104.24 -91.28 9.17 105.78 -90.52 9.29 105.01 3 0 39.47 -999 ? CO CO A 601 >TRP^C 486 -89.21 12.25 98.98 -86.55 9.35 99.02 -87.88 10.80 99.00 3 0 33.03 -999 ? CO CO A 601 >LEU^C 487 -94.67 14.29 102.81 -94.71 13.58 104.83 -94.69 13.93 103.82 3 0 37.92 -999 ? CO CO A 601 >LEU^C 488 -98.09 14.59 98.80 -98.94 14.42 96.84 -98.52 14.50 97.82 3 0 34.64 -999 ? CO CO A 601 >GLY~C 489 -96.23 18.79 98.43 -96.93 18.41 98.54 -96.58 18.60 98.49 1 0 32.55 -999 ? CO CO A 601 >ASN~C 490 -98.30 22.28 101.14 -98.24 21.44 103.11 -98.27 21.86 102.13 2 0 36.92 -999 ? CO CO A 601 >ALA~C 491 -99.58 22.56 96.65 -98.58 23.19 95.70 -99.08 22.88 96.18 2 0 30.75 -999 ? CO CO A 601 >CYH~C 492 -100.86 19.15 95.50 -98.56 18.17 94.28 -99.71 18.66 94.89 2 0 30.77 -999 ? CO CO A 601 >ARG~C 493 -101.08 17.75 101.60 -98.74 16.92 103.41 -99.91 17.34 102.50 2 0 38.42 -999 ? CO CO A 601 >GLU~C 494 -103.20 23.77 98.71 -104.27 24.30 100.46 -103.74 24.03 99.59 2 0 37.87 -999 ? CO CO A 601 >ILE~C 495 -104.79 20.62 93.13 -104.63 21.85 92.25 -104.71 21.24 92.69 3 0 33.11 -999 ? CO CO A 601 >LEU~C 496 -106.54 16.63 96.06 -104.88 15.86 94.88 -105.71 16.24 95.47 3 0 36.87 -999 ? CO CO A 601 >GLU~D 9 -87.76 -19.34 31.60 -89.49 -20.00 32.62 -88.63 -19.67 32.11 2 0 18.69 -999 ? CL CL D 584 >GLY~D 10 -92.51 -18.17 30.46 -91.88 -17.78 30.80 -92.20 -17.98 30.63 1 0 22.68 -999 ? CL CL D 584 >ARG~D 11 -90.93 -13.84 35.51 -91.52 -11.88 37.78 -91.22 -12.86 36.64 2 0 15.53 -999 ? CO CO D 601 >ARG~D 12 -88.41 -10.99 28.67 -85.78 -11.93 29.95 -87.09 -11.46 29.31 2 0 18.39 -999 ? CO CO D 601 >GLU~D 13 -94.26 -14.80 27.00 -95.44 -16.47 26.50 -94.85 -15.64 26.75 2 0 25.25 -999 ? CO CO D 601 >GLN~D 14 -95.56 -12.55 34.72 -95.72 -13.99 36.29 -95.64 -13.27 35.50 2 0 19.22 -999 ? CO CO D 601 >LEU~D 15 -91.26 -9.44 32.42 -90.28 -9.68 34.34 -90.77 -9.56 33.38 3 0 14.77 -999 ? CO CO D 601 >ILE~D 16 -93.22 -8.94 27.50 -92.68 -9.07 26.12 -92.95 -9.01 26.81 3 0 19.06 -999 ? CO CO D 601 >ALA~D 17 -97.12 -8.27 29.34 -97.88 -9.53 29.67 -97.50 -8.90 29.51 2 0 19.54 -999 ? CO CO D 601 >GLN~D 18 -96.36 -7.55 34.80 -95.10 -7.95 36.45 -95.73 -7.75 35.62 2 0 13.83 -999 ? CO CO D 601 >VAL~D 19 -94.72 -3.49 30.85 -92.57 -3.31 30.48 -93.65 -3.40 30.67 3 0 13.30 -999 ? CO CO D 601 >GLU~D 20 -96.66 -5.08 26.23 -96.64 -3.89 24.48 -96.65 -4.48 25.36 2 0 19.78 -999 ? CO CO D 601 >SER~D 21 -100.09 -2.97 30.64 -101.19 -3.34 32.78 -100.64 -3.15 31.71 2 0 16.92 -999 ? CO CO D 601 >ILE~D 22 -97.06 0.01 32.98 -96.23 0.16 34.15 -96.65 0.09 33.57 3 0 11.87 -999 ? CO CO D 601 >LEU~D 23 -96.92 1.18 27.85 -94.79 1.47 27.99 -95.86 1.33 27.92 3 0 15.32 -999 ? CO CO D 601 >ALA~D 24 -101.37 0.97 27.85 -101.92 -0.42 27.59 -101.65 0.27 27.72 2 0 19.71 -999 ? CO CO D 601 >SER.D 25 -102.57 3.22 30.68 -101.14 3.06 32.62 -101.86 3.14 31.65 2 0 15.78 -999 ? CO CO D 601 >ALA.D 26 -100.77 6.37 29.62 -99.82 6.50 28.43 -100.30 6.44 29.03 2 0 17.71 -999 ? CO CO D 601 >ALA.D 27 -102.97 9.39 30.31 -104.23 8.88 31.01 -103.60 9.14 30.66 2 0 20.18 -999 ? CO CO D 601 >ASP.D 28 -103.07 13.29 32.43 -105.09 13.79 32.15 -104.08 13.54 32.29 2 0 22.34 -999 ? CO CO D 601 >GLY.D 29 -98.66 12.60 30.38 -99.09 12.20 30.91 -98.88 12.40 30.64 1 0 18.02 -999 ? CO CO D 601 >ARG.D 30 -99.77 12.17 35.43 -101.26 10.51 37.55 -100.52 11.34 36.49 2 0 15.98 -999 ? CO CO D 601 >VAL.D 31 -98.55 6.05 33.26 -96.76 5.17 32.44 -97.65 5.61 32.85 3 0 13.06 -999 ? CO CO D 601 >GLN.D 32 -102.21 4.93 37.61 -101.41 6.84 38.15 -101.81 5.89 37.88 2 0 14.60 -999 ? CO CO D 601 >LYS.D 33 -99.07 1.12 37.90 -93.48 1.07 40.32 -96.28 1.09 39.11 2 0 6.16 -999 ? CO CO D 601 >THR.D 34 -101.63 -1.59 38.75 -102.41 -3.19 37.51 -102.02 -2.39 38.13 2 0 16.31 -999 ? CO CO D 601 >LYS.D 35 -101.48 -4.13 41.61 -102.56 -9.07 44.85 -102.02 -6.60 43.23 2 0 19.57 -999 ? CO CO D 601 >GLU.D 36 -102.38 -8.31 38.66 -101.62 -10.17 39.37 -102.00 -9.24 39.02 2 0 19.18 -999 ? CO CO D 601 >THR.D 37 -97.51 -4.74 37.73 -98.62 -3.90 36.08 -98.06 -4.32 36.91 2 0 13.73 -999 ? CO CO D 601 >GLN.D 38 -96.61 -2.31 43.42 -97.39 -2.94 45.32 -97.00 -2.63 44.37 2 0 12.27 -999 ? CO CO D 601 >SER.D 39 -92.94 -4.55 40.88 -93.19 -6.53 42.28 -93.07 -5.54 41.58 2 0 11.04 -999 ? CO CO D 601 >VAL.D 40 -92.02 -2.98 37.55 -92.95 -2.74 35.59 -92.48 -2.86 36.57 3 0 8.59 -999 ? CO CO D 601 >ASP^D 41 -87.71 -1.15 38.04 -86.39 0.00 39.24 -87.05 -0.58 38.64 2 0 -3.45 -999 ? CO CO D 601s >PHE^D 42 -92.15 3.50 36.81 -94.71 2.66 36.09 -93.43 3.08 36.45 3 0 -7.23 -999 ? CO CO D 601s >LYS^D 43 -86.32 4.74 36.04 -82.35 4.00 39.81 -84.33 4.37 37.92 2 0 5.45 -999 ? CO CO D 601 >GLU.D 44 -85.70 10.81 35.10 -86.48 12.39 36.27 -86.09 11.60 35.69 2 0 10.58 -999 ? CO CO D 601 >GLU.D 45 -80.99 9.57 30.67 -80.96 9.96 28.57 -80.97 9.76 29.62 2 0 15.57 -999 ? CO CO D 601 >ALA.D 46 -79.78 10.17 35.04 -78.72 9.31 35.71 -79.25 9.74 35.38 2 0 12.07 -999 ? CO CO D 601 >GLY.D 47 -78.00 13.49 34.60 -78.70 13.34 34.35 -78.35 13.41 34.47 1 0 15.58 -999 ? CO CO D 601 >ARG.D 48 -81.51 14.11 29.56 -84.16 12.92 28.65 -82.83 13.52 29.10 2 0 16.10 -999 ? CO CO D 601 >ARG^D 49 -85.42 16.85 36.84 -88.47 17.10 36.74 -86.95 16.98 36.79 2 0 14.82 -999 ? CO CO D 601 >ASN^D 50 -81.13 21.66 34.32 -80.13 23.54 34.53 -80.63 22.60 34.43 2 0 22.84 -999 ? CO CO D 601 >GLY.D 51 -84.03 22.38 38.22 -84.23 21.81 37.64 -84.13 22.09 37.93 1 0 20.00 -999 ? CO CO D 601 >PRO.D 52 -86.98 24.99 36.33 -86.88 22.86 37.02 -86.93 23.92 36.68 3 0 21.46 -999 ? CO CO D 601 >GLN^D 53 -84.69 23.33 32.39 -83.93 24.76 31.00 -84.31 24.04 31.69 2 0 24.25 -999 ? CO CO D 601 >ILE^D 54 -85.91 17.59 31.99 -87.18 16.91 32.37 -86.55 17.25 32.18 3 0 16.78 -999 ? CO CO D 601 >GLU.D 55 -80.25 19.92 30.07 -80.44 21.70 28.91 -80.34 20.81 29.49 2 0 23.36 -999 ? CO CO D 601 >PRO.D 56 -81.65 18.60 24.88 -82.78 17.43 26.39 -82.22 18.02 25.64 3 0 22.06 -999 ? CO CO D 601 >GLY.D 57 -81.84 13.33 25.81 -81.74 13.83 25.18 -81.79 13.58 25.49 1 0 19.12 -999 ? CO CO D 601 >LYS.D 58 -78.70 12.26 23.98 -77.92 16.96 23.11 -78.31 14.61 23.54 2 0 24.56 -999 ? CO CO D 601 >PRO.D 59 -76.64 10.08 20.89 -77.97 9.57 22.60 -77.31 9.82 21.74 3 0 22.69 -999 ? CO CO D 601 >GLU.D 60 -73.34 7.27 22.99 -71.45 7.29 22.06 -72.40 7.28 22.52 2 0 25.08 -999 ? CO CO D 601 >ASN~D 61 -75.96 9.60 28.89 -75.86 10.67 30.71 -75.91 10.13 29.80 2 0 17.30 -999 ? CO CO D 601 >PRO~D 62 -70.53 9.23 29.97 -72.26 7.84 30.03 -71.39 8.53 30.00 3 0 20.25 -999 ? CO CO D 601 >GLU~D 63 -74.29 10.66 35.33 -74.67 12.74 35.61 -74.48 11.70 35.47 2 0 17.06 -999 ? CO CO D 601 >ALA~D 64 -76.90 7.27 33.21 -77.92 7.72 32.16 -77.41 7.49 32.69 2 0 13.81 -999 ? CO CO D 601 >ALA~D 65 -75.14 4.16 31.93 -73.94 4.15 31.02 -74.54 4.16 31.48 2 0 16.81 -999 ? CO CO D 601 >ASP~D 66 -72.66 4.92 36.00 -70.64 4.76 35.37 -71.65 4.84 35.69 2 0 17.89 -999 ? CO CO D 601 >LYS~D 67 -76.74 4.40 37.44 -76.30 8.11 41.03 -76.52 6.25 39.24 2 0 12.47 -999 ? CO CO D 601 >LEU~D 68 -79.09 2.29 33.73 -80.37 3.84 32.89 -79.73 3.06 33.31 3 0 10.82 -999 ? CO CO D 601 >ALA~D 69 -75.96 -0.52 35.40 -74.47 -0.25 35.20 -75.21 -0.39 35.30 2 0 14.58 -999 ? CO CO D 601 >ASP~D 70 -76.19 0.73 40.09 -74.15 1.33 40.38 -75.17 1.03 40.24 2 0 13.54 -999 ? CO CO D 601 >GLU~D 71 -82.53 -0.03 38.62 -83.12 0.56 40.55 -82.82 0.27 39.59 2 0 5.04 -999 ? CO CO D 601 >VAL~D 72 -79.89 -3.66 36.59 -79.56 -3.81 34.43 -79.73 -3.73 35.51 3 0 11.52 -999 ? CO CO D 601 >ALA~D 73 -77.57 -5.37 39.09 -76.26 -4.81 39.65 -76.91 -5.09 39.37 2 0 13.73 -999 ? CO CO D 601 >CSS~D 74 -80.24 -4.97 41.81 -80.49 -2.81 43.57 -80.36 -3.89 42.69 2 0 9.53 -999 ? CO CO D 601 >MET?D 75 -82.83 -6.61 39.67 -86.01 -5.95 39.10 -84.42 -6.28 39.38 2 0 9.10 -999 ? CO CO D 601 >ALA~D 76 -80.54 -9.38 38.52 -79.22 -9.14 37.83 -79.88 -9.26 38.17 2 0 14.93 -999 ? CO CO D 601 >ASN~D 77 -78.92 -9.14 43.09 -76.87 -8.77 42.62 -77.90 -8.95 42.86 2 0 15.93 -999 ? CO CO D 601 >THR~D 78 -83.27 -10.40 43.26 -84.78 -8.93 42.81 -84.02 -9.66 43.03 2 0 12.30 -999 ? CO CO D 601 >PRO.D 79 -85.39 -13.82 44.79 -84.54 -13.24 42.82 -84.97 -13.53 43.81 3 0 16.37 -999 ? CL CL D 584 >GLY.D 80 -87.20 -13.80 39.56 -86.52 -13.33 39.55 -86.86 -13.57 39.56 1 0 16.70 -999 ? CO CO D 601 >GLY.D 81 -85.55 -10.78 38.01 -86.26 -10.84 38.41 -85.91 -10.81 38.21 1 0 14.05 -999 ? CO CO D 601 >GLY^D 82 -87.70 -7.93 36.75 -87.08 -8.02 36.20 -87.39 -7.97 36.48 1 0 11.50 -999 ? CO CO D 601 >ALA^D 83 -88.31 -5.27 34.14 -89.54 -5.50 33.27 -88.93 -5.38 33.71 2 0 11.36 -999 ? CO CO D 601 >LEU^D 84 -85.82 -1.27 34.32 -84.46 -2.16 35.71 -85.14 -1.72 35.02 3 0 7.72 -999 ? CO CO D 601 >ILE^D 85 -90.42 1.48 32.18 -91.77 1.38 31.57 -91.10 1.43 31.87 3 0 9.63 -999 ? CO CO D 601 >VAL^D 86 -86.24 3.80 31.56 -84.11 3.36 31.42 -85.18 3.58 31.49 3 0 9.58 -999 ? CO CO D 601 >GLY.D 87 -87.83 7.15 30.71 -88.13 6.84 31.41 -87.98 6.99 31.06 1 0 10.90 -999 ? CO CO D 601 >ILE.D 88 -91.48 6.21 33.49 -92.79 5.65 33.23 -92.14 5.93 33.36 3 0 9.18 -999 ? CO CO D 601 >GLU.D 89 -90.18 11.53 37.87 -91.12 13.39 38.06 -90.65 12.46 37.96 2 0 11.42 -999 ? CO CO D 601 >ASP.D 90 -88.95 7.25 40.81 -89.14 5.73 42.25 -89.04 6.49 41.53 2 0 -3.59 -999 ? CO CO D 601s >LYS.D 91 -93.38 7.09 42.10 -89.76 6.10 46.02 -91.57 6.59 44.06 2 0 6.57 -999 ? CO CO D 601 >THR.D 92 -95.22 9.68 39.98 -93.85 11.33 39.63 -94.54 10.51 39.80 2 0 10.58 -999 ? CO CO D 601 >GLY.D 93 -94.99 7.71 36.75 -94.93 8.53 36.75 -94.96 8.12 36.75 1 0 9.69 -999 ? CO CO D 601 >ARG.D 94 -93.68 13.96 36.35 -95.35 15.99 37.92 -94.51 14.97 37.14 2 0 15.50 -999 ? CO CO D 601 >ILE.D 95 -94.11 10.14 29.75 -94.09 8.73 29.52 -94.10 9.43 29.63 3 0 14.44 -999 ? CO CO D 601 >ILE.D 96 -88.81 11.70 31.84 -88.77 13.06 32.55 -88.79 12.38 32.19 3 0 12.84 -999 ? CO CO D 601 >GLY.D 97 -88.42 9.90 27.76 -87.97 9.95 28.43 -88.20 9.92 28.10 1 0 14.78 -999 ? CO CO D 601 >THR.D 98 -84.98 8.65 26.72 -84.04 7.33 28.09 -84.51 7.99 27.40 2 0 13.87 -999 ? CO CO D 601 >GLU.D 99 -83.87 11.11 22.75 -85.13 10.53 21.13 -84.50 10.82 21.94 2 0 21.19 -999 ? CO CO D 601 >LEU.D 100 -80.30 5.72 26.12 -79.36 6.38 27.93 -79.83 6.05 27.02 3 0 16.07 -999 ? CO CO D 601 >ASP~D 101 -77.69 4.36 21.29 -77.55 3.22 19.53 -77.62 3.79 20.41 2 0 23.47 -999 ? CO CO D 601 >ILE~D 102 -80.95 -0.36 21.75 -82.09 -0.73 22.64 -81.52 -0.54 22.20 3 0 19.80 -999 ? CO CO D 601 >ASP~D 103 -76.36 -1.19 19.88 -77.58 -2.45 18.67 -76.97 -1.82 19.27 2 0 24.80 -999 ? CO CO D 601 >TRP~D 104 -72.41 3.86 23.52 -73.74 5.25 26.94 -73.08 4.56 25.23 3 0 21.31 -999 ? CO CO D 601 >LEU~D 105 -77.89 1.44 26.76 -78.80 1.93 28.66 -78.35 1.68 27.71 3 0 16.02 -999 ? CO CO D 601 >ARG~D 106 -79.02 -4.72 24.19 -77.98 -7.53 24.89 -78.50 -6.12 24.54 2 0 21.25 -999 ? CO CO D 601 >GLN~D 107 -70.46 -1.98 24.68 -69.47 -3.87 24.59 -69.97 -2.92 24.63 2 0 25.19 -999 ? CO CO D 601 >GLY~D 108 -72.07 -0.13 28.33 -72.43 -0.86 28.37 -72.25 -0.49 28.35 1 0 20.10 -999 ? CO CO D 601 >ILE~D 109 -75.53 -2.36 31.02 -76.85 -2.23 31.66 -76.19 -2.29 31.34 3 0 15.65 -999 ? CO CO D 601 >PHE~D 110 -71.61 -7.09 28.38 -69.90 -9.29 28.10 -70.75 -8.19 28.24 3 0 20.00 -999 ? CL CL D 584 >THR~D 111 -69.01 -3.86 30.26 -67.80 -2.69 28.91 -68.40 -3.27 29.59 2 0 23.72 -999 ? CO CO D 601 >ARG~D 112 -71.49 0.11 32.67 -70.87 2.89 31.60 -71.18 1.50 32.13 2 0 19.06 -999 ? CO CO D 601 >ILE~D 113 -73.27 -4.75 35.31 -73.70 -5.10 35.88 -73.48 -4.92 35.59 3 0 16.92 -999 ? CO CO D 601 >ASP~D 114 -70.15 -9.23 34.15 -68.03 -8.90 34.08 -69.09 -9.07 34.12 2 0 17.06 -999 ? CL CL D 584 >VAL.D 115 -74.54 -8.74 32.03 -76.11 -8.51 33.57 -75.33 -8.63 32.80 3 0 17.29 -999 ? CL CL D 584 >ALA.D 116 -76.47 -7.54 28.95 -75.81 -7.70 27.58 -76.14 -7.62 28.27 2 0 20.58 -999 ? CO CO D 601 >PRO.D 117 -79.73 -5.31 30.66 -79.51 -7.27 29.64 -79.62 -6.29 30.15 3 0 16.10 -999 ? CO CO D 601 >ASP^D 118 -83.69 -8.57 26.46 -82.77 -10.45 26.15 -83.23 -9.51 26.30 2 0 20.32 -999 ? CO CO D 601 >VAL^D 119 -83.64 -3.83 26.18 -82.29 -2.11 26.01 -82.97 -2.97 26.10 3 0 16.42 -999 ? CO CO D 601 >VAL^D 120 -86.50 -2.98 23.79 -87.94 -4.55 24.26 -87.22 -3.77 24.02 3 0 17.98 -999 ? CO CO D 601 >ALA^D 121 -87.82 0.40 22.67 -87.24 1.18 21.51 -87.53 0.79 22.09 2 0 19.30 -999 ? CO CO D 601 >LYS^D 122 -91.43 1.44 23.24 -93.02 -3.94 23.37 -92.23 -1.25 23.30 2 0 19.42 -999 ? CO CO D 601 >ARG^D 123 -91.67 5.89 19.57 -90.48 8.72 19.51 -91.07 7.30 19.54 2 0 22.20 -999 ? CO CO D 601 >VAL.D 124 -96.11 6.06 24.94 -95.25 6.19 26.90 -95.68 6.13 25.92 3 0 17.18 -999 ? CO CO D 601 >LEU.D 125 -98.06 10.48 25.59 -99.00 9.12 26.98 -98.53 9.80 26.29 3 0 19.39 -999 ? CO CO D 601 >GLY.D 126 -95.27 9.83 21.61 -95.01 9.63 22.38 -95.14 9.73 22.00 1 0 21.74 -999 ? CO CO D 601 >GLN.D 127 -92.66 11.52 25.70 -91.12 12.65 24.77 -91.89 12.09 25.23 2 0 19.05 -999 ? CO CO D 601 >ARG^D 128 -86.44 6.30 21.56 -83.80 4.86 22.20 -85.12 5.58 21.88 2 0 19.02 -999 ? CO CO D 601 >VAL^D 129 -88.79 4.71 26.63 -90.81 4.79 27.44 -89.80 4.75 27.03 3 0 14.00 -999 ? CO CO D 601 >LEU^D 130 -85.03 1.90 27.28 -83.92 2.78 25.66 -84.47 2.34 26.47 3 0 14.61 -999 ? CO CO D 601 >ALA^D 131 -87.98 -1.44 28.52 -89.20 -2.11 27.92 -88.59 -1.77 28.22 2 0 13.83 -999 ? CO CO D 601 >ILE^D 132 -83.90 -2.67 30.75 -82.53 -2.08 30.68 -83.22 -2.37 30.71 3 0 12.12 -999 ? CO CO D 601 >TYR^D 133 -87.81 -7.27 29.32 -90.13 -6.03 28.36 -88.97 -6.65 28.84 3 0 15.28 -999 ? CO CO D 601 >VAL^D 134 -83.38 -8.61 33.28 -82.65 -7.66 35.10 -83.01 -8.14 34.19 3 0 13.59 -999 ? CO CO D 601 >ALA.D 135 -83.20 -12.29 34.22 -82.79 -13.34 33.22 -82.99 -12.82 33.72 2 0 16.16 -999 ? CL CL D 584 >ALA.D 136 -82.32 -13.45 37.73 -83.18 -14.38 38.57 -82.75 -13.92 38.15 2 0 14.19 -999 ? CL CL D 584 >ALA.D 137 -78.57 -14.17 37.81 -77.53 -13.16 38.26 -78.05 -13.66 38.03 2 0 11.98 -999 ? CL CL D 584 >ALA.D 138 -77.10 -17.60 38.51 -76.44 -18.49 37.47 -76.77 -18.04 37.99 2 0 7.14 -999 ? CL CL D 584 >GLU.D 139 -72.75 -15.57 39.44 -70.78 -16.14 39.11 -71.77 -15.86 39.27 2 0 8.26 -999 ? CL CL D 584 >PRO.D 140 -73.13 -13.75 44.26 -74.49 -13.28 42.56 -73.81 -13.51 43.40 3 0 11.02 -999 ? CL CL D 584 >ILE.D 141 -74.81 -9.21 39.30 -74.35 -9.96 38.13 -74.58 -9.58 38.72 3 0 14.63 -999 ? CL CL D 584 >GLU.D 142 -69.92 -8.45 43.15 -68.68 -8.40 44.87 -69.30 -8.42 44.01 2 0 16.84 -999 ? CL CL D 584 >ASP.D 143 -73.66 -2.50 41.29 -73.11 -1.56 43.11 -73.39 -2.03 42.20 2 0 15.33 -999 ? CO CO D 601 >THR.D 144 -70.18 -0.62 39.75 -71.33 0.88 38.80 -70.75 0.13 39.28 2 0 16.51 -999 ? CO CO D 601 >SER.D 145 -69.43 0.23 43.38 -70.69 2.30 43.58 -70.06 1.27 43.48 2 0 17.16 -999 ? CO CO D 601 >ASP.D 146 -67.11 -3.19 44.68 -65.74 -4.60 43.94 -66.42 -3.89 44.31 2 0 21.04 -999 ? CL CL D 584 >ARG.D 147 -73.37 -0.45 46.39 -74.68 2.20 45.63 -74.02 0.87 46.01 2 0 13.84 -999 ? CO CO D 601 >LEU.D 148 -73.62 -8.04 46.73 -74.66 -9.91 46.58 -74.14 -8.97 46.66 3 0 16.41 -999 ? CL CL D 584 >ARG.D 149 -76.57 -2.22 45.99 -78.17 0.39 46.22 -77.37 -0.92 46.11 2 0 11.19 -999 ? CO CO D 601 >TRP.D 150 -82.19 -7.61 48.21 -82.40 -11.46 49.03 -82.29 -9.54 48.62 3 0 15.62 -999 ? CO CO D 601 >ARG.D 151 -85.44 -2.91 43.07 -88.38 -2.85 42.14 -86.91 -2.88 42.60 2 0 5.93 -999 ? CO CO D 601 >VAL.D 152 -87.10 -4.91 47.92 -86.37 -4.93 49.95 -86.74 -4.92 48.93 3 0 11.34 -999 ? CO CO D 601 >GLY.D 153 -89.83 -2.31 47.84 -89.17 -2.41 47.28 -89.50 -2.36 47.56 1 0 9.07 -999 ? CO CO D 601 >ASP.D 154 -90.14 1.40 44.96 -89.60 2.57 43.32 -89.87 1.99 44.14 2 0 -3.29 -999 ? CO CO D 601s >SER.D 155 -85.91 0.79 46.33 -86.16 1.09 48.71 -86.03 0.94 47.52 2 0 8.30 -999 ? CO CO D 601 >CSS.D 156 -83.25 -1.87 46.67 -81.99 -1.54 44.11 -82.62 -1.70 45.39 2 0 7.89 -999 ? CO CO D 601 >ARG.D 157 -84.32 -1.74 51.31 -85.21 -3.20 53.89 -84.77 -2.47 52.60 2 0 14.68 -999 ? CO CO D 601 >PRO.D 158 -77.62 -3.10 52.15 -78.51 -4.04 50.36 -78.06 -3.57 51.26 3 0 15.59 -999 ? CO CO D 601 >VAL.D 159 -77.59 -8.26 51.13 -78.98 -8.95 49.61 -78.28 -8.60 50.37 3 0 17.64 -999 ? CO CO D 601 >ASP~D 160 -74.68 -11.01 53.88 -76.32 -12.09 54.69 -75.50 -11.55 54.29 2 0 19.04 -999 ? CL CL D 584 >ARG~D 161 -70.54 -14.07 48.01 -69.13 -11.96 46.26 -69.84 -13.02 47.13 2 0 14.00 -999 ? CL CL D 584 >ALA~D 162 -74.93 -15.96 52.92 -74.60 -15.87 54.40 -74.76 -15.92 53.66 2 0 16.42 -999 ? CL CL D 584 >GLU~D 163 -80.62 -13.47 53.17 -81.46 -11.77 54.12 -81.04 -12.62 53.65 2 0 20.38 -999 ? CL CL D 584 >TRP~D 164 -78.59 -12.27 46.13 -77.46 -15.19 43.75 -78.02 -13.73 44.94 3 0 12.41 -999 ? CL CL D 584 >TRP~D 165 -74.20 -17.09 47.68 -74.53 -18.96 44.25 -74.36 -18.03 45.96 3 0 8.41 -999 ? CL CL D 584 >GLU~D 166 -80.36 -17.80 52.58 -80.51 -17.56 54.67 -80.43 -17.68 53.63 2 0 17.53 -999 ? CL CL D 584 >TYR~D 167 -83.91 -15.73 49.89 -85.77 -15.25 51.94 -84.84 -15.49 50.91 3 0 18.13 -999 ? CL CL D 584 >GLN~D 168 -78.94 -19.41 44.54 -79.42 -20.46 42.74 -79.18 -19.93 43.64 2 0 7.82 -999 ? CL CL D 584 >ARG~D 169 -78.24 -22.87 48.89 -75.56 -22.02 50.11 -76.90 -22.45 49.50 2 0 10.40 -999 ? CL CL D 584 >ALA~D 170 -84.89 -21.97 47.16 -85.36 -21.28 48.43 -85.12 -21.62 47.79 2 0 15.13 -999 ? CL CL D 584 >GLN~D 171 -86.72 -17.93 45.69 -88.11 -16.68 46.71 -87.41 -17.31 46.20 2 0 18.06 -999 ? CL CL D 584 >SER~D 172 -83.91 -19.90 41.50 -83.03 -17.76 42.30 -83.47 -18.83 41.90 2 0 12.07 -999 ? CL CL D 584 >GLY.D 173 -82.39 -22.19 38.87 -82.16 -22.06 39.66 -82.28 -22.12 39.27 1 0 9.75 -999 ? CL CL D 584 >PHE.D 174 -79.86 -27.65 40.31 -78.26 -29.53 41.62 -79.06 -28.59 40.96 3 0 7.68 -999 ? CL CL D 584 >ASP.D 175 -76.20 -23.36 41.35 -76.36 -21.65 40.13 -76.28 -22.51 40.74 2 0 -4.19 -999 ? CL CL D 584s >PRO.D 176 -74.11 -27.58 38.96 -75.28 -27.42 40.85 -74.69 -27.50 39.90 3 0 3.91 -999 ? CL CL D 584 >MET?D 177 -72.25 -26.29 43.17 -69.06 -27.33 42.69 -70.66 -26.81 42.93 2 0 -5.62 -999 ? CL CL D 584s >ALA.D 178 -74.64 -24.52 45.58 -75.59 -23.43 45.11 -75.11 -23.98 45.34 2 0 5.57 -999 ? CL CL D 584 >GLN.D 179 -77.21 -30.15 46.17 -76.86 -31.95 45.09 -77.03 -31.05 45.63 2 0 10.08 -999 ? CL CL D 584 >VAL^D 180 -76.06 -28.71 50.22 -77.21 -28.06 51.98 -76.63 -28.38 51.10 3 0 12.26 -999 ? CL CL D 584 >THR^D 181 -73.55 -31.41 51.12 -71.64 -30.55 50.71 -72.60 -30.98 50.91 2 0 12.39 -999 ? CL CL D 584 >THR^D 182 -73.10 -33.46 54.26 -73.45 -35.48 53.62 -73.28 -34.47 53.94 2 0 17.61 -999 ? CL CL D 584 >ALA^D 183 -69.89 -31.66 55.16 -68.85 -31.23 54.14 -69.37 -31.45 54.65 2 0 16.15 -999 ? CL CL D 584 >THR^D 184 -69.79 -29.45 58.27 -70.34 -30.83 59.82 -70.06 -30.14 59.04 2 0 20.87 -999 ? CL CL D 584 >LEU.D 185 -67.96 -25.96 61.02 -66.84 -24.30 61.80 -67.40 -25.13 61.41 3 0 21.89 -999 ? CL CL D 584 >GLY~D 186 -65.35 -29.65 61.33 -65.52 -29.53 60.54 -65.43 -29.59 60.93 1 0 23.08 -999 ? CL CL D 584 >ASP~D 187 -65.65 -31.63 56.94 -66.88 -33.16 57.81 -66.27 -32.39 57.37 2 0 20.68 -999 ? CL CL D 584 >ALA~D 188 -63.00 -27.77 56.89 -63.55 -26.38 57.18 -63.27 -27.07 57.04 2 0 19.49 -999 ? CL CL D 584 >ARG~D 189 -58.04 -30.21 53.96 -55.77 -32.02 54.97 -56.90 -31.12 54.46 2 0 23.96 -999 ? CL CL D 584 >PRO~D 190 -56.58 -27.35 60.24 -57.82 -26.05 58.96 -57.20 -26.70 59.60 3 0 25.07 -999 ? CL CL D 584 >ALA~D 191 -54.73 -25.07 56.70 -53.87 -26.22 56.16 -54.30 -25.64 56.43 2 0 24.91 -999 ? CL CL D 584 >ALA~D 192 -57.27 -24.31 53.98 -58.45 -25.20 53.63 -57.86 -24.76 53.81 2 0 19.74 -999 ? CL CL D 584 >LEU~D 193 -59.49 -21.82 57.52 -61.49 -22.44 57.96 -60.49 -22.13 57.74 3 0 21.53 -999 ? CL CL D 584 >ALA~D 194 -55.36 -20.32 57.06 -54.22 -21.18 57.58 -54.79 -20.75 57.32 2 0 24.13 -999 ? CO CO C 601 >LEU~D 195 -54.84 -20.77 52.22 -53.10 -21.70 51.36 -53.97 -21.24 51.79 3 0 22.36 -999 ? CL CL D 584 >ALA~D 196 -58.13 -17.90 52.88 -59.49 -18.43 53.26 -58.81 -18.17 53.07 2 0 19.52 -999 ? CL CL D 584 >ARG~D 197 -57.63 -17.11 59.27 -60.35 -16.64 60.59 -58.99 -16.88 59.93 2 0 16.65 -999 ? CO CO C 601 >LYS~D 198 -53.68 -14.80 54.20 -48.92 -18.04 52.92 -51.30 -16.42 53.56 2 0 27.79 -999 ? CL CL D 584 >TRP~D 199 -53.24 -15.75 49.03 -54.56 -19.43 48.63 -53.90 -17.59 48.83 3 0 21.83 -999 ? CL CL D 584 >ASP~D 200 -59.01 -12.16 52.01 -60.36 -10.53 51.90 -59.69 -11.35 51.96 2 0 20.36 -999 ? CO CO C 601 >PRO~D 201 -56.27 -8.04 54.22 -56.83 -10.07 54.90 -56.55 -9.06 54.56 3 0 19.06 -999 ? CO CO C 601 >ALA~D 202 -60.44 -8.94 55.87 -61.40 -8.68 54.70 -60.92 -8.81 55.28 2 0 16.99 -999 ? CO CO C 601 >PHE~D 203 -61.92 -13.58 55.12 -63.13 -13.45 52.60 -62.52 -13.51 53.86 3 0 19.26 -999 ? CO CO C 601 >ALA~D 204 -58.70 -11.92 59.96 -57.42 -11.10 59.82 -58.06 -11.51 59.89 2 0 15.17 -999 ? CO CO C 601 >GLU~D 205 -60.97 -7.92 62.29 -61.83 -6.28 63.34 -61.40 -7.10 62.82 2 0 8.45 -999 ? CO CO C 601 >LEU~D 206 -64.91 -13.15 61.14 -64.90 -13.07 58.99 -64.90 -13.11 60.06 3 0 13.60 -999 ? CO CO C 601 >THR~D 207 -63.95 -16.96 63.23 -65.66 -17.19 64.53 -64.81 -17.08 63.88 2 0 14.05 -999 ? CO CO C 601 >ASP~D 208 -63.01 -21.33 61.43 -60.88 -21.46 61.40 -61.95 -21.40 61.41 2 0 19.91 -999 ? CO CO C 601 >GLU~D 209 -69.52 -20.93 62.40 -70.65 -21.07 64.18 -70.09 -21.00 63.29 2 0 18.39 -999 ? CO CO C 601 >GLU~D 210 -67.22 -15.37 62.23 -67.62 -14.07 63.87 -67.42 -14.72 63.05 2 0 11.81 -999 ? CO CO C 601 >LEU~D 211 -64.33 -17.28 57.85 -62.87 -17.25 56.23 -63.60 -17.26 57.04 3 0 18.73 -999 ? CO CO C 601 >LEU~D 212 -67.24 -21.21 56.34 -65.60 -22.58 56.07 -66.42 -21.90 56.21 3 0 17.36 -999 ? CL CL D 584 >ARG~D 213 -73.56 -17.69 58.95 -73.46 -20.25 60.66 -73.51 -18.97 59.80 2 0 20.09 -999 ? CO CO C 601 >GLY~D 214 -69.68 -14.98 55.27 -69.63 -15.66 54.85 -69.66 -15.32 55.06 1 0 17.83 -999 ? CL CL D 584 >ILE~D 215 -67.03 -16.89 51.63 -65.81 -17.54 52.17 -66.42 -17.21 51.90 3 0 14.98 -999 ? CL CL D 584 >GLY.D 216 -71.65 -17.96 51.34 -70.92 -18.34 51.52 -71.29 -18.15 51.43 1 0 12.70 -999 ? CL CL D 584 >ALA.D 217 -70.21 -21.42 51.85 -68.71 -21.59 51.89 -69.46 -21.51 51.87 2 0 12.61 -999 ? CL CL D 584 >LEU.D 218 -70.85 -22.04 56.48 -71.59 -23.60 57.74 -71.22 -22.82 57.11 3 0 16.98 -999 ? CL CL D 584 >ASP.D 219 -75.92 -24.49 55.36 -77.68 -24.60 54.25 -76.80 -24.55 54.80 2 0 14.79 -999 ? CL CL D 584 >ALA.D 220 -77.68 -21.82 58.11 -78.99 -21.11 57.86 -78.33 -21.47 57.98 2 0 18.55 -999 ? CL CL C 584 >GLU.D 221 -79.97 -26.92 58.67 -81.24 -25.44 57.88 -80.61 -26.18 58.27 2 0 18.05 -999 ? CL CL C 584 >GLY.D 222 -74.11 -25.69 59.40 -74.49 -26.00 58.72 -74.30 -25.84 59.06 1 0 19.25 -999 ? CL CL D 584 >PHE^D 223 -75.21 -29.40 56.53 -75.96 -31.41 58.34 -75.58 -30.40 57.43 3 0 18.51 -999 ? CL CL D 584 >LEU^D 224 -69.51 -27.09 53.48 -67.71 -26.37 54.37 -68.61 -26.73 53.92 3 0 14.58 -999 ? CL CL D 584 >SER^D 225 -72.16 -26.11 49.97 -71.07 -24.07 49.08 -71.61 -25.09 49.53 2 0 9.02 -999 ? CL CL D 584 >GLN~D 226 -71.16 -29.87 45.19 -71.57 -31.57 46.40 -71.36 -30.72 45.79 2 0 9.82 -999 ? CL CL D 584 >ALA~D 227 -68.38 -25.53 46.47 -68.75 -24.14 45.99 -68.56 -24.84 46.23 2 0 7.09 -999 ? CL CL D 584 >GLY~D 228 -67.67 -24.96 50.14 -67.59 -25.65 49.66 -67.63 -25.31 49.90 1 0 11.23 -999 ? CL CL D 584 >LYS~D 229 -66.80 -28.63 50.51 -68.92 -34.40 49.20 -67.86 -31.51 49.85 2 0 14.26 -999 ? CL CL D 584 >LEU~D 230 -65.11 -28.39 45.95 -64.39 -28.87 43.96 -64.75 -28.63 44.95 3 0 10.48 -999 ? CL CL D 584 >LEU~D 231 -63.12 -24.24 48.26 -63.31 -23.25 46.36 -63.22 -23.74 47.31 3 0 12.00 -999 ? CL CL D 584 >PHE~D 232 -62.82 -23.91 52.88 -62.50 -21.19 52.36 -62.66 -22.55 52.62 3 0 16.13 -999 ? CL CL D 584 >THR~D 233 -62.06 -30.02 52.35 -63.73 -31.07 53.15 -62.90 -30.54 52.75 2 0 17.32 -999 ? CL CL D 584 >SER.D 234 -59.76 -32.71 50.97 -59.70 -34.31 52.83 -59.73 -33.51 51.90 2 0 20.94 -999 ? CL CL D 584 >LEU.D 235 -61.23 -33.19 46.39 -59.58 -32.46 45.28 -60.41 -32.83 45.83 3 0 16.28 -999 ? CL CL D 584 >ASP.D 236 -60.23 -38.16 48.76 -60.54 -38.09 50.86 -60.39 -38.13 49.81 2 0 21.52 -999 ? CL CL D 584 >ARG.D 237 -59.94 -36.64 41.66 -62.71 -35.33 41.74 -61.33 -35.99 41.70 2 0 15.30 -999 ? CL CL D 584 >THR.D 238 -55.51 -34.85 42.52 -53.59 -35.29 41.69 -54.55 -35.07 42.11 2 0 22.42 -999 ? CL CL D 584 >ALA.D 239 -57.03 -31.59 41.43 -57.35 -30.46 42.37 -57.19 -31.03 41.90 2 0 16.98 -999 ? CL CL D 584 >ILE^D 240 -54.24 -28.59 39.45 -53.66 -27.27 39.40 -53.95 -27.93 39.43 3 0 19.38 -999 ? CL CL D 584 >GLU^D 241 -50.97 -33.50 37.45 -50.85 -35.63 37.39 -50.91 -34.56 37.42 2 0 25.09 -999 ? CL CL D 584 >LEU^D 242 -46.72 -28.79 38.18 -45.25 -27.44 37.34 -45.99 -28.12 37.76 3 0 27.35 -999 ? CL CL D 584 >SER^D 243 -44.95 -31.66 35.10 -46.80 -32.29 33.67 -45.87 -31.98 34.39 2 0 28.17 -999 ? CL CL D 584 >ILE^D 244 -40.68 -29.42 34.98 -40.00 -28.40 35.72 -40.34 -28.91 35.35 3 0 33.30 -999 ? CL CL D 584 >PHE^D 245 -42.48 -31.72 29.47 -44.53 -33.63 29.51 -43.51 -32.68 29.49 3 0 32.49 -999 ? CL CL D 584 >ASP^D 246 -36.08 -30.90 28.60 -34.22 -30.17 29.33 -35.15 -30.54 28.97 2 0 40.67 -999 ? CL CL D 584 >VAL^D 247 -38.53 -29.46 25.15 -37.36 -30.18 23.46 -37.94 -29.82 24.31 3 0 38.87 -999 ? CL CL D 584 >HIS.D 248 -44.12 -29.13 22.61 -46.20 -29.43 22.69 -45.16 -29.28 22.65 3 0 33.29 -999 ? CL CL D 584 >GLY.D 249 -41.98 -33.72 22.61 -41.86 -33.63 23.40 -41.92 -33.67 23.01 1 0 36.91 -999 ? CL CL D 584 >GLY^D 250 -41.09 -35.51 25.84 -40.73 -34.76 25.77 -40.91 -35.14 25.81 1 0 36.77 -999 ? CL CL D 584 >GLN^D 251 -35.96 -34.44 28.47 -34.60 -36.00 27.91 -35.28 -35.22 28.19 2 0 42.00 -999 ? CL CL D 584 >VAL^D 252 -39.99 -35.28 31.90 -41.87 -36.20 32.42 -40.93 -35.74 32.16 3 0 35.02 -999 ? CL CL D 584 >LEU^D 253 -36.84 -32.15 33.99 -35.52 -31.29 32.52 -36.18 -31.72 33.26 3 0 38.18 -999 ? CL CL D 584 >ASN^D 254 -38.69 -33.01 38.21 -39.31 -33.50 40.18 -39.00 -33.26 39.19 2 0 34.92 -999 ? CL CL D 584 >ARG^D 255 -45.20 -36.81 37.44 -43.04 -38.46 36.00 -44.12 -37.64 36.72 2 0 33.46 -999 ? CL CL D 584 >VAL^D 256 -44.77 -32.30 41.40 -44.74 -30.29 42.24 -44.75 -31.29 41.82 3 0 29.13 -999 ? CL CL D 584 >VAL.D 257 -48.23 -33.39 42.46 -48.25 -35.38 41.63 -48.24 -34.38 42.04 3 0 26.82 -999 ? CL CL D 584 >PRO.D 258 -51.63 -31.33 44.09 -49.81 -32.31 44.90 -50.72 -31.82 44.50 3 0 23.91 -999 ? CL CL D 584 >GLU.D 259 -49.38 -34.96 50.03 -48.27 -33.17 50.29 -48.82 -34.07 50.16 2 0 28.14 -999 ? CL CL D 584 >PRO.D 260 -53.60 -38.26 48.08 -53.93 -36.12 47.61 -53.76 -37.19 47.85 3 0 24.45 -999 ? CL CL D 584 >GLU.D 261 -54.40 -37.15 52.15 -52.49 -36.25 52.27 -53.44 -36.70 52.21 2 0 26.67 -999 ? CL CL D 584 >LYS.D 262 -55.61 -31.65 50.34 -49.64 -29.59 50.46 -52.62 -30.62 50.40 2 0 26.02 -999 ? CL CL D 584 >SER~D 263 -58.33 -29.08 49.61 -57.77 -27.00 50.70 -58.05 -28.04 50.15 2 0 18.63 -999 ? CL CL D 584 >CYH~D 264 -58.54 -27.18 46.34 -60.30 -28.28 44.65 -59.42 -27.73 45.49 2 0 14.02 -999 ? CL CL D 584 >LEU~D 265 -57.79 -23.30 49.08 -59.47 -21.97 48.95 -58.63 -22.63 49.01 3 0 16.81 -999 ? CL CL D 584 >GLU~D 266 -54.82 -26.82 51.65 -55.17 -28.46 52.95 -54.99 -27.64 52.30 2 0 22.26 -999 ? CL CL D 584 >GLN~D 267 -54.47 -30.38 46.16 -55.72 -31.88 45.33 -55.09 -31.13 45.74 2 0 19.58 -999 ? CL CL D 584 >LEU~D 268 -55.04 -23.76 44.19 -55.12 -21.97 42.99 -55.08 -22.86 43.59 3 0 18.18 -999 ? CL CL D 584 >ASP~D 269 -51.53 -22.63 47.96 -49.90 -21.51 48.72 -50.72 -22.07 48.34 2 0 24.66 -999 ? CL CL D 584 >TYR~D 270 -48.25 -28.29 46.82 -46.11 -30.10 46.79 -47.18 -29.20 46.81 3 0 27.06 -999 ? CL CL D 584 >LEU~D 271 -50.30 -26.04 41.83 -49.37 -27.38 40.43 -49.83 -26.71 41.13 3 0 23.25 -999 ? CL CL D 584 >GLU~D 272 -50.81 -20.87 42.69 -51.97 -19.25 43.45 -51.39 -20.06 43.07 2 0 21.72 -999 ? CL CL D 584 >GLN~D 273 -46.35 -23.18 47.37 -45.31 -21.79 48.59 -45.83 -22.49 47.98 2 0 28.93 -999 ? CL CL D 584 >ALA~D 274 -43.73 -24.81 42.49 -44.22 -26.18 42.05 -43.98 -25.50 42.27 2 0 28.84 -999 ? CL CL D 584 >LEU~D 275 -46.15 -22.47 39.06 -47.18 -23.39 37.44 -46.66 -22.93 38.25 3 0 26.36 -999 ? CL CL D 584 >ASN~D 276 -43.35 -19.42 42.63 -42.47 -17.55 43.07 -42.91 -18.49 42.85 2 0 31.25 -999 ? CL CL D 584 >VAL~D 277 -39.70 -21.61 41.37 -38.93 -22.97 42.88 -39.31 -22.29 42.13 3 0 33.70 -999 ? CL CL D 584 >VAL~D 278 -39.94 -22.92 37.81 -40.91 -24.74 37.09 -40.42 -23.83 37.45 3 0 32.62 -999 ? CL CL D 584 >ASN~D 279 -41.97 -18.63 36.99 -42.69 -17.41 35.41 -42.33 -18.02 36.20 2 0 31.32 -999 ? CL CL D 584 >LYS.D 280 -36.98 -18.87 36.79 -36.35 -22.88 35.59 -36.67 -20.87 36.19 2 0 36.88 -999 ? CL CL D 584 >ASN.D 281 -37.26 -14.59 37.40 -36.57 -12.63 37.89 -36.91 -13.61 37.64 2 0 38.17 -999 ? CL CL D 584 >VAL.D 293 -38.56 -10.09 35.74 -39.10 -8.57 34.26 -38.83 -9.33 35.00 3 0 37.18 -999 ? CO CO B 601 >PRO.D 294 -41.82 -12.87 36.50 -39.81 -12.99 35.58 -40.81 -12.93 36.04 3 0 34.23 -999 ? CL CL D 584 >GLU.D 295 -38.51 -17.42 32.37 -38.05 -19.43 31.87 -38.28 -18.43 32.12 2 0 36.15 -999 ? CL CL D 584 >ILE.D 296 -44.77 -16.83 32.07 -45.59 -17.80 31.34 -45.18 -17.31 31.71 3 0 29.79 -999 ? CL CL D 584 >PRO~D 297 -47.01 -12.54 31.84 -45.50 -13.16 33.33 -46.25 -12.85 32.58 3 0 29.92 -999 ? CL CL D 584 >ARG~D 298 -44.59 -14.42 40.07 -41.52 -14.20 40.17 -43.06 -14.31 40.12 2 0 32.90 -999 ? CL CL D 584 >LEU~D 299 -50.65 -11.28 36.46 -52.53 -10.39 36.96 -51.59 -10.83 36.71 3 0 25.33 -999 ? CL CL D 584 >ALA~D 300 -51.09 -14.45 33.57 -50.32 -14.23 32.28 -50.70 -14.34 32.93 2 0 25.89 -999 ? CL CL D 584 >VAL~D 301 -49.74 -17.65 35.06 -47.73 -18.33 35.41 -48.74 -17.99 35.23 3 0 25.42 -999 ? CL CL D 584 >ARG~D 302 -52.18 -15.81 41.73 -50.05 -13.65 41.28 -51.12 -14.73 41.50 2 0 25.13 -999 ? CL CL D 584 >GLU~D 303 -56.30 -14.78 34.71 -57.56 -13.97 36.21 -56.93 -14.37 35.46 2 0 18.81 -999 ? CL CL D 584 >ALA~D 304 -54.69 -19.16 33.67 -53.52 -19.43 32.75 -54.10 -19.30 33.21 2 0 21.31 -999 ? CL CL D 584 >MET?D 305 -54.27 -21.41 36.68 -51.35 -23.25 37.67 -52.81 -22.33 37.17 2 0 21.73 -999 ? CL CL D 584 >LEU~D 306 -57.40 -19.70 39.91 -57.76 -17.59 39.88 -57.58 -18.64 39.90 3 0 16.26 -999 ? CL CL D 584 >ASN~D 307 -58.76 -19.16 34.47 -60.04 -17.51 34.03 -59.40 -18.33 34.25 2 0 15.73 -999 ? CL CL D 584 >ALA~D 308 -58.96 -23.65 34.81 -57.66 -24.36 34.42 -58.31 -24.00 34.62 2 0 16.34 -999 ? CL CL D 584 >MET?D 309 -59.49 -24.39 38.50 -57.66 -26.14 40.88 -58.57 -25.26 39.69 2 0 15.42 -999 ? CL CL D 584 >ILE~D 310 -63.02 -21.12 38.45 -63.36 -19.89 39.08 -63.19 -20.50 38.76 3 0 10.46 -999 ? CL CL D 584 >HIS~D 311 -64.47 -21.44 34.09 -64.98 -19.47 34.62 -64.73 -20.46 34.35 3 0 10.71 -999 ? CL CL D 584 >ARG~D 312 -60.88 -29.55 37.66 -61.08 -32.58 37.35 -60.98 -31.06 37.50 2 0 14.89 -999 ? CL CL D 584 >ASP.D 313 -65.13 -31.41 33.85 -66.94 -32.54 33.75 -66.03 -31.98 33.80 2 0 12.26 -999 ? CL CL D 584 >TRP.D 314 -64.86 -28.10 39.35 -61.52 -29.23 41.07 -63.19 -28.67 40.21 3 0 10.78 -999 ? CL CL D 584 >ASN.D 315 -68.42 -34.28 36.72 -70.07 -35.17 37.75 -69.25 -34.72 37.23 2 0 11.76 -999 ? CL CL D 584 >ARG.D 316 -64.18 -34.88 31.97 -62.11 -35.03 29.74 -63.15 -34.96 30.86 2 0 18.66 -999 ? CL CL D 584 >SER.D 317 -61.06 -37.80 37.10 -62.14 -39.92 36.73 -61.60 -38.86 36.92 2 0 19.52 -999 ? CL CL D 584 >GLU.D 318 -59.17 -36.10 32.72 -60.63 -37.60 32.42 -59.90 -36.85 32.57 2 0 19.91 -999 ? CL CL D 584 >PRO.D 319 -55.61 -35.32 38.22 -56.72 -34.20 36.67 -56.16 -34.76 37.44 3 0 20.09 -999 ? CL CL D 584 >ILE^D 320 -55.98 -28.89 35.97 -56.57 -27.54 35.90 -56.27 -28.22 35.93 3 0 17.70 -999 ? CL CL D 584 >ASP^D 321 -52.44 -32.24 32.59 -50.47 -32.94 32.32 -51.46 -32.59 32.46 2 0 25.42 -999 ? CL CL D 584 >VAL^D 322 -50.16 -28.16 33.70 -49.66 -26.77 35.32 -49.91 -27.46 34.51 3 0 23.96 -999 ? CL CL D 584 >ARG^D 323 -48.92 -29.91 29.73 -48.31 -32.32 27.92 -48.62 -31.11 28.82 2 0 28.75 -999 ? CL CL D 584 >TRP^D 324 -41.01 -24.70 32.60 -42.40 -21.07 33.21 -41.70 -22.89 32.90 3 0 32.09 -999 ? CL CL D 584 >ILE^D 325 -41.73 -25.99 27.32 -41.75 -27.27 26.91 -41.74 -26.63 27.11 3 0 33.94 -999 ? CL CL D 584 >GLU.D 326 -36.93 -26.58 31.86 -36.61 -25.04 33.31 -36.77 -25.81 32.58 2 0 36.98 -999 ? CL CL D 584 >LEU.D 327 -35.67 -24.98 25.57 -33.61 -25.63 25.67 -34.64 -25.31 25.62 3 0 41.00 -999 ? CL CL D 584 >ASP.D 328 -40.51 -23.52 24.32 -40.41 -23.65 22.23 -40.46 -23.59 23.27 2 0 37.17 -999 ? CL CL D 584 >SER.D 329 -40.31 -21.00 28.17 -38.18 -19.83 28.12 -39.25 -20.41 28.14 2 0 37.04 -999 ? CL CL D 584 >THR^D 330 -43.98 -21.78 27.58 -43.87 -22.62 25.59 -43.92 -22.20 26.58 2 0 32.57 -999 ? CL CL D 584 >LEU^D 331 -47.15 -22.00 31.10 -47.85 -22.62 33.05 -47.50 -22.31 32.07 3 0 26.76 -999 ? CL CL D 584 >ILE^D 332 -49.22 -26.23 27.87 -49.26 -26.76 26.52 -49.24 -26.49 27.19 3 0 27.15 -999 ? CL CL D 584 >VAL^D 333 -52.61 -25.76 31.08 -53.07 -24.58 32.82 -52.84 -25.17 31.95 3 0 21.76 -999 ? CL CL D 584 >ARG^D 334 -54.33 -31.86 27.73 -51.90 -33.10 26.33 -53.12 -32.48 27.03 2 0 26.80 -999 ? CL CL D 584 >SER^D 335 -58.09 -28.92 31.87 -59.52 -26.97 31.52 -58.81 -27.95 31.70 2 0 16.26 -999 ? CL CL D 584 >PRO^D 336 -60.71 -31.68 33.87 -60.29 -31.14 31.77 -60.50 -31.41 32.82 3 0 16.25 -999 ? CL CL D 584 >GLY.D 337 -64.15 -30.69 29.93 -63.41 -30.52 29.57 -63.78 -30.61 29.75 1 0 15.09 -999 ? CL CL D 584 >GLY.D 338 -64.86 -28.38 27.04 -65.39 -28.25 27.63 -65.12 -28.32 27.33 1 0 16.08 -999 ? CL CL D 584 >PHE.D 339 -64.78 -23.76 24.68 -62.24 -22.60 24.46 -63.51 -23.18 24.57 3 0 18.31 -999 ? CL CL D 584 >PRO.D 340 -69.56 -22.84 28.17 -69.35 -24.82 27.17 -69.46 -23.83 27.67 3 0 13.05 -999 ? CL CL D 584 >ALA.D 341 -72.17 -25.78 24.14 -73.28 -26.83 24.17 -72.73 -26.31 24.15 2 0 16.33 -999 ? CL CL D 584 >ALA.D 342 -72.37 -22.21 22.81 -73.29 -21.62 23.88 -72.83 -21.91 23.34 2 0 16.56 -999 ? CL CL D 584 >ILE.D 343 -68.39 -20.54 24.97 -68.58 -19.15 25.18 -68.48 -19.85 25.08 3 0 16.36 -999 ? CL CL D 584 >THR.D 344 -66.15 -20.95 20.98 -66.26 -20.37 18.89 -66.21 -20.66 19.94 2 0 22.67 -999 ? CL CL D 584 >SER.D 345 -62.53 -19.79 20.60 -61.18 -21.76 20.09 -61.86 -20.78 20.35 2 0 23.44 -999 ? CL CL D 584 >GLU.D 346 -63.58 -16.89 16.83 -63.35 -18.99 16.63 -63.47 -17.94 16.73 2 0 25.99 -999 ? CL CL D 584 >ASN.D 347 -67.73 -17.04 22.25 -69.16 -16.31 20.88 -68.45 -16.67 21.57 2 0 21.19 -999 ? CL CL D 584 >VAL.D 348 -64.07 -16.80 25.17 -62.45 -18.24 25.39 -63.26 -17.52 25.28 3 0 18.97 -999 ? CL CL D 584 >LEU.D 349 -61.91 -12.43 24.90 -59.91 -12.99 24.36 -60.91 -12.71 24.63 3 0 22.73 -999 ? CL CL D 584 >SER.D 350 -66.45 -12.07 25.61 -66.28 -10.35 23.89 -66.36 -11.21 24.75 2 0 22.34 -999 ? CL CL D 584 >ASN.D 351 -67.61 -16.04 27.57 -68.86 -17.49 28.48 -68.24 -16.76 28.02 2 0 14.07 -999 ? CL CL D 584 >ARG.D 352 -67.74 -11.08 31.74 -66.12 -10.54 29.19 -66.93 -10.81 30.47 2 0 18.73 -999 ? CL CL D 584 >ALA.D 353 -71.17 -17.07 31.98 -72.14 -17.62 30.95 -71.65 -17.35 31.46 2 0 11.33 -999 ? CL CL D 584 >ALA.D 354 -69.49 -19.85 34.00 -68.89 -19.42 35.32 -69.19 -19.64 34.66 2 0 7.86 -999 ? CL CL D 584 >ARG.D 355 -68.27 -27.11 34.24 -67.46 -27.59 31.33 -67.87 -27.35 32.78 2 0 11.05 -999 ? CL CL D 584 >TYR~D 356 -69.14 -25.77 38.31 -69.13 -28.45 37.51 -69.14 -27.11 37.91 3 0 -5.41 -999 ? CL CL D 584s >PRO~D 357 -73.25 -20.41 37.50 -71.45 -20.70 38.78 -72.35 -20.56 38.14 3 0 -4.11 -999 ? CL CL D 584s >ALA~D 358 -71.62 -20.90 42.80 -72.43 -22.03 43.42 -72.02 -21.47 43.11 2 0 -3.77 -999 ? CL CL D 584s >LEU~D 359 -67.52 -23.20 41.58 -65.58 -23.62 42.51 -66.55 -23.41 42.05 3 0 6.64 -999 ? CL CL D 584 >ALA~D 360 -66.92 -18.86 40.70 -67.40 -18.31 39.37 -67.16 -18.59 40.03 2 0 8.00 -999 ? CL CL D 584 >ASP~D 361 -70.15 -16.68 43.62 -70.69 -15.15 44.96 -70.42 -15.92 44.29 2 0 10.29 -999 ? CL CL D 584 >LEU~D 362 -67.11 -20.12 46.27 -66.81 -20.97 48.20 -66.96 -20.55 47.23 3 0 9.81 -999 ? CL CL D 584 >TYR~D 363 -62.51 -19.33 43.27 -61.25 -21.80 43.48 -61.88 -20.56 43.38 3 0 11.98 -999 ? CL CL D 584 >ARG~D 364 -66.40 -11.84 41.63 -65.90 -8.80 41.88 -66.15 -10.32 41.75 2 0 16.85 -999 ? CL CL D 584 >ALA~D 365 -66.02 -13.97 47.94 -66.99 -14.98 48.52 -66.50 -14.48 48.23 2 0 13.62 -999 ? CL CL D 584 >LEU~D 366 -61.99 -16.55 48.53 -62.70 -18.29 49.62 -62.35 -17.42 49.08 3 0 15.27 -999 ? CL CL D 584 >GLY.D 367 -60.99 -12.27 46.98 -60.87 -13.07 46.81 -60.93 -12.67 46.90 1 0 18.05 -999 ? CL CL D 584 >LEU.D 368 -59.26 -16.06 44.77 -59.00 -16.77 46.81 -59.13 -16.41 45.79 3 0 16.69 -999 ? CL CL D 584 >VAL.D 369 -60.69 -13.46 41.19 -61.32 -15.18 40.06 -61.00 -14.32 40.63 3 0 15.38 -999 ? CL CL D 584 >ASP.D 370 -61.24 -9.36 38.67 -59.14 -9.46 38.86 -60.19 -9.41 38.76 2 0 20.10 -999 ? CL CL D 584 >LYS.D 371 -65.38 -9.63 38.10 -67.24 -4.99 35.07 -66.31 -7.31 36.59 2 0 20.53 -999 ? CL CL D 584 >GLN~D 372 -66.34 -13.69 33.82 -65.08 -15.40 34.21 -65.71 -14.55 34.01 2 0 13.14 -999 ? CL CL D 584 >GLY~D 373 -63.84 -11.06 31.81 -63.55 -10.81 32.57 -63.70 -10.93 32.19 1 0 17.95 -999 ? CL CL D 584 >VAL~D 374 -61.40 -8.70 33.50 -61.74 -7.04 34.85 -61.57 -7.87 34.18 3 0 20.66 -999 ? CL CL D 584 >GLY~D 375 -59.49 -11.82 34.50 -59.62 -11.54 33.74 -59.56 -11.68 34.12 1 0 19.04 -999 ? CL CL D 584 >VAL~D 376 -58.73 -13.44 31.19 -59.86 -14.18 29.51 -59.29 -13.81 30.35 3 0 19.71 -999 ? CL CL D 584 >ASP~D 377 -59.52 -8.79 29.83 -61.25 -9.01 28.59 -60.38 -8.90 29.21 2 0 22.32 -999 ? CL CL D 584 >ARG~D 378 -56.70 -7.54 35.56 -55.01 -7.41 38.11 -55.86 -7.48 36.83 2 0 24.53 -999 ? CL CL D 584 >MET?D 379 -53.96 -12.16 31.28 -54.61 -16.43 30.77 -54.29 -14.30 31.03 2 0 21.97 -999 ? CL CL D 584 >TYR~D 380 -55.40 -11.95 26.05 -56.50 -14.13 24.70 -55.95 -13.04 25.37 3 0 25.11 -999 ? CL CL D 584 >GLN~D 381 -52.41 -5.78 30.51 -51.65 -4.07 29.47 -52.03 -4.93 29.99 2 0 29.34 -999 ? CO CO B 601 >ALA~D 382 -49.92 -9.07 30.67 -50.17 -10.18 31.69 -50.05 -9.63 31.18 2 0 27.98 -999 ? CL CL D 584 >MET?D 383 -48.45 -10.74 27.61 -47.96 -13.78 28.72 -48.21 -12.26 28.16 2 0 29.34 -999 ? CL CL D 584 >ILE~D 384 -50.34 -7.50 24.53 -50.55 -7.93 23.18 -50.44 -7.71 23.85 3 0 32.26 -999 ? CL CL D 584 >ALA~D 385 -47.37 -5.45 26.97 -47.75 -5.11 28.41 -47.56 -5.28 27.69 2 0 31.72 -999 ? CO CO B 601 >LEU~D 386 -43.87 -8.42 28.47 -44.43 -8.39 30.56 -44.15 -8.41 29.52 3 0 34.46 -999 ? CL CL D 584 >GLY~D 387 -43.93 -8.26 23.78 -44.34 -8.78 24.23 -44.13 -8.52 24.00 1 0 36.89 -999 ? CL CL D 584 >HIS.D 388 -43.95 -12.49 26.43 -42.38 -12.23 27.80 -43.16 -12.36 27.12 3 0 34.56 -999 ? CL CL D 584 >ARG.D 389 -46.54 -16.52 19.91 -44.89 -18.72 18.54 -45.72 -17.62 19.22 2 0 35.85 -999 ? CL CL D 584 >PRO.D 390 -51.72 -12.85 21.28 -50.45 -13.33 23.04 -51.08 -13.09 22.16 3 0 30.40 -999 ? CL CL D 584 >PRO.D 391 -53.36 -15.30 26.53 -52.05 -16.02 24.88 -52.71 -15.66 25.70 3 0 26.27 -999 ? CL CL D 584 >THR^D 392 -54.06 -19.17 22.81 -52.47 -19.85 21.49 -53.27 -19.51 22.15 2 0 28.06 -999 ? CL CL D 584 >ILE^D 393 -57.93 -20.04 25.51 -59.21 -19.53 25.96 -58.57 -19.78 25.74 3 0 20.85 -999 ? CL CL D 584 >GLU^D 394 -57.65 -25.33 20.35 -56.10 -26.28 19.23 -56.87 -25.80 19.79 2 0 27.02 -999 ? CL CL D 584 >GLU^D 395 -62.70 -27.89 23.20 -64.82 -27.69 23.03 -63.76 -27.79 23.12 2 0 19.38 -999 ? CL CL D 584 >ILE^D 396 -57.56 -30.63 23.12 -56.63 -30.34 22.07 -57.09 -30.49 22.60 3 0 24.57 -999 ? CL CL D 584 >ALA.D 397 -60.47 -33.67 21.99 -60.08 -34.68 20.93 -60.28 -34.17 21.46 2 0 25.53 -999 ? CL CL D 584 >GLY.D 398 -61.39 -35.21 25.32 -62.10 -35.02 24.99 -61.74 -35.11 25.16 1 0 21.93 -999 ? CL CL D 584 >PRO.D 399 -65.08 -32.98 27.29 -63.29 -33.63 26.12 -64.19 -33.30 26.71 3 0 18.60 -999 ? CL CL D 584 >PHE^D 400 -58.46 -32.42 27.73 -57.53 -34.25 29.66 -58.00 -33.34 28.70 3 0 21.04 -999 ? CL CL D 584 >VAL^D 401 -59.22 -27.03 27.08 -60.83 -25.65 27.40 -60.02 -26.34 27.24 3 0 18.47 -999 ? CL CL D 584 >GLU^D 402 -54.43 -26.52 24.83 -52.58 -27.27 24.10 -53.50 -26.89 24.46 2 0 26.18 -999 ? CL CL D 584 >THR^D 403 -54.27 -22.34 27.57 -55.39 -21.10 28.96 -54.83 -21.72 28.27 2 0 21.06 -999 ? CL CL D 584 >THR^D 404 -50.72 -21.76 26.27 -50.87 -22.65 24.31 -50.80 -22.20 25.29 2 0 27.25 -999 ? CL CL D 584 >LEU^D 405 -48.58 -18.41 28.81 -50.47 -18.12 29.82 -49.52 -18.26 29.31 3 0 26.46 -999 ? CL CL D 584 >VAL^D 406 -45.21 -18.17 25.59 -44.71 -18.57 23.53 -44.96 -18.37 24.56 3 0 32.56 -999 ? CL CL D 584 >GLY.D 407 -42.88 -16.11 27.77 -42.54 -16.57 27.21 -42.71 -16.34 27.49 1 0 33.48 -999 ? CL CL D 584 >GLY.D 408 -39.17 -15.35 27.81 -39.62 -14.74 28.13 -39.39 -15.05 27.97 1 0 37.01 -999 ? CL CL D 584 >ARG.D 409 -33.24 -12.48 27.23 -31.93 -11.95 29.97 -32.58 -12.22 28.60 2 0 43.96 -999 ? CL CL D 584 >PRO.D 410 -38.31 -8.42 29.31 -38.77 -9.59 27.49 -38.54 -9.00 28.40 3 0 38.76 -999 ? CO CO B 601 >VAL~D 411 -38.71 -7.24 23.95 -40.09 -6.84 22.32 -39.40 -7.04 23.13 3 0 38.96 -999 ? CO CO B 601 >LEU~D 412 -35.61 -3.72 25.07 -34.94 -4.99 26.70 -35.28 -4.35 25.88 3 0 38.01 -999 ? CO CO B 601 >PRO~D 413 -37.94 -3.50 20.88 -38.08 -2.25 22.73 -38.01 -2.88 21.80 3 0 37.38 -999 ? CO CO B 601 >VAL~D 414 -42.04 -2.76 23.02 -43.30 -4.41 22.42 -42.67 -3.58 22.72 3 0 35.14 -999 ? CO CO B 601 >LEU~D 415 -40.31 -2.56 27.55 -40.48 -4.32 28.74 -40.40 -3.44 28.15 3 0 33.57 -999 ? CO CO B 601 >GLU~D 416 -38.78 1.72 24.18 -37.09 2.76 23.39 -37.94 2.24 23.79 2 0 33.55 -999 ? CO CO B 601 >LEU~D 417 -43.47 1.13 22.48 -45.44 1.70 21.76 -44.46 1.41 22.12 3 0 31.24 -999 ? CO CO B 601 >VAL~D 418 -45.51 1.15 26.47 -46.30 -0.73 27.19 -45.90 0.21 26.83 3 0 28.82 -999 ? CO CO B 601 >SER~D 419 -43.56 3.15 29.04 -41.73 3.71 30.55 -42.64 3.43 29.79 2 0 26.68 -999 ? CO CO B 601 >SER~D 420 -44.14 6.19 26.79 -42.09 5.95 25.54 -43.12 6.07 26.17 2 0 27.53 -999 ? CO CO B 601 >ILE.D 421 -48.74 4.71 27.19 -49.58 4.46 26.02 -49.16 4.58 26.60 3 0 24.47 -999 ? CO CO B 601 >VAL.D 422 -49.70 9.11 27.88 -48.59 10.94 28.00 -49.14 10.02 27.94 3 0 20.03 -999 ? CO CO B 601 >PRO~D 423 -54.03 9.23 29.64 -51.88 9.50 29.24 -52.95 9.36 29.44 3 0 18.10 -999 ? CO CO B 601 >GLU~D 424 -48.25 6.44 34.09 -47.53 7.02 36.00 -47.89 6.73 35.04 2 0 18.96 -999 ? CO CO B 601 >ALA~D 425 -53.14 5.47 33.08 -54.36 6.22 33.59 -53.75 5.85 33.34 2 0 17.95 -999 ? CO CO B 601 >ARG~D 426 -55.19 5.95 26.85 -58.07 6.79 27.51 -56.63 6.37 27.18 2 0 20.64 -999 ? CO CO B 601 >GLN~D 427 -48.59 3.81 30.59 -46.63 4.26 31.23 -47.61 4.03 30.91 2 0 23.32 -999 ? CO CO B 601 >ASP.D 428 -51.81 -1.28 32.77 -52.68 0.20 33.99 -52.25 -0.54 33.38 2 0 23.60 -999 ? CO CO B 601 >ASP~D 429 -55.56 1.15 28.93 -57.55 1.31 28.28 -56.56 1.23 28.61 2 0 24.52 -999 ? CO CO B 601 >TYR~D 430 -58.02 -5.44 27.56 -58.89 -7.51 25.88 -58.46 -6.47 26.72 3 0 26.47 -999 ? CL CL D 584 >ARG~D 431 -60.70 -0.29 26.74 -60.85 2.62 27.69 -60.77 1.16 27.21 2 0 23.96 -999 ? CO CO B 601 >ILE~D 432 -54.24 1.34 24.30 -53.59 1.44 24.82 -53.91 1.39 24.56 3 0 26.93 -999 ? CO CO B 601 >ALA~D 433 -53.14 -3.25 24.25 -53.24 -4.17 25.47 -53.19 -3.71 24.86 2 0 31.00 -999 ? CO CO B 601 >ILE~D 434 -56.83 -5.40 21.85 -56.91 -6.87 21.66 -56.87 -6.13 21.76 3 0 30.34 -999 ? CL CL D 584 >VAL~D 435 -55.22 -2.08 19.40 -56.25 -0.19 19.35 -55.73 -1.13 19.38 3 0 32.05 -999 ? CO CO B 601 >LEU~D 436 -50.63 -1.48 20.90 -49.62 0.42 21.16 -50.13 -0.53 21.03 3 0 31.37 -999 ? CO CO B 601 >TYR~D 437 -51.32 -8.10 19.48 -50.68 -10.68 18.62 -51.00 -9.39 19.05 3 0 33.83 -999 ? CL CL D 584 >LEU~D 438 -54.63 -5.36 15.66 -56.31 -6.53 16.33 -55.47 -5.94 15.99 3 0 34.93 -999 ? CL CL D 584 >LEU~D 439 -51.08 -1.53 14.94 -52.10 0.10 13.98 -51.59 -0.72 14.46 3 0 35.83 -999 ? CO CO B 601 >PHE~D 440 -47.39 -4.68 17.86 -46.74 -2.97 19.99 -47.06 -3.82 18.93 3 0 35.92 -999 ? CO CO B 601 >GLN~D 441 -50.04 -9.15 14.67 -48.11 -10.04 14.88 -49.08 -9.59 14.78 2 0 38.14 -999 ? CL CL D 584 >ARG~D 442 -54.93 -6.73 10.95 -56.67 -6.51 8.47 -55.80 -6.62 9.71 2 0 39.77 -999 ? CL CL D 584 >PRO.D 443 -50.76 -3.62 6.53 -50.35 -3.25 8.68 -50.56 -3.44 7.61 3 0 42.97 -999 ? CO CO B 601 >PHE.D 444 -54.86 -1.20 6.97 -56.46 -2.96 5.51 -55.66 -2.08 6.24 3 0 42.72 -999 ? CO CO B 601 >ILE.D 445 -56.13 -1.49 12.84 -56.48 -2.05 13.29 -56.31 -1.77 13.06 3 0 37.06 -999 ? CO CO B 601 >THR~D 446 -60.10 -1.21 10.78 -61.44 -1.88 9.22 -60.77 -1.55 10.00 2 0 39.82 -999 ? CL CL D 584 >ILE~D 447 -64.29 0.03 12.77 -65.59 0.39 12.63 -64.94 0.21 12.70 3 0 36.14 -999 ? CO CO D 601 >ASP~D 448 -64.70 -4.85 10.66 -66.81 -5.11 10.42 -65.75 -4.98 10.54 2 0 35.85 -999 ? CL CL D 584 >VAL~D 449 -60.82 -5.77 12.79 -59.02 -5.88 11.61 -59.92 -5.82 12.20 3 0 35.89 -999 ? CL CL D 584 >VAL~D 450 -60.66 -4.11 16.18 -60.23 -2.11 16.88 -60.45 -3.11 16.53 3 0 34.00 -999 ? CL CL D 584 >ALA~D 451 -64.05 -5.65 16.94 -65.30 -5.51 16.11 -64.68 -5.58 16.53 2 0 31.37 -999 ? CL CL D 584 >ARG~D 452 -63.00 -11.10 12.76 -63.58 -8.67 10.96 -63.29 -9.89 11.86 2 0 34.37 -999 ? CL CL D 584 >GLY~D 453 -59.88 -8.48 18.29 -60.67 -8.45 18.54 -60.28 -8.47 18.41 1 0 29.91 -999 ? CL CL D 584 >LEU~D 454 -62.63 -6.30 21.57 -61.67 -4.36 21.64 -62.15 -5.33 21.60 3 0 28.52 -999 ? CL CL D 584 >GLN~D 455 -63.37 -12.74 20.38 -62.37 -14.19 21.57 -62.87 -13.47 20.97 2 0 23.61 -999 ? CL CL D 584 >SER.D 456 -66.90 -7.86 21.01 -67.89 -6.31 22.58 -67.40 -7.08 21.80 2 0 25.53 -999 ? CL CL D 584 >GLY~D 457 -69.30 -5.74 19.00 -68.59 -5.45 19.24 -68.95 -5.59 19.12 1 0 28.28 -999 ? CL CL D 584 >LYS~D 458 -68.83 -2.60 16.93 -71.66 -4.71 12.66 -70.25 -3.65 14.80 2 0 33.16 -999 ? CO CO D 601 >GLU~D 459 -71.42 0.81 21.30 -71.58 2.31 19.81 -71.50 1.56 20.56 2 0 26.35 -999 ? CO CO D 601 >ALA~D 460 -66.79 -1.63 22.00 -66.65 -3.03 22.56 -66.72 -2.33 22.28 2 0 28.17 -999 ? CL CL D 584 >ALA~D 461 -64.51 -1.52 18.93 -64.82 -2.20 17.61 -64.67 -1.86 18.27 2 0 32.48 -999 ? CL CL D 584 >ARG~D 462 -68.20 4.43 17.08 -69.74 3.10 14.76 -68.97 3.76 15.92 2 0 31.52 -999 ? CO CO D 601 >ASN~D 463 -65.34 2.02 23.08 -64.55 2.49 25.02 -64.95 2.25 24.05 2 0 26.39 -999 ? CO CO B 601 >ALA~D 464 -61.25 0.99 21.79 -61.00 -0.44 21.35 -61.12 0.28 21.57 2 0 30.30 -999 ? CO CO B 601 >LEU~D 465 -60.99 3.02 17.37 -60.51 1.73 15.72 -60.75 2.37 16.54 3 0 31.86 -999 ? CO CO B 601 >GLU~D 466 -63.68 7.07 20.19 -63.08 8.94 19.43 -63.38 8.01 19.81 2 0 26.15 -999 ? CO CO B 601 >ALA~D 467 -59.13 5.45 23.48 -59.27 4.22 24.33 -59.20 4.83 23.90 2 0 24.73 -999 ? CO CO B 601 >ALA~D 468 -56.16 4.49 21.32 -56.15 3.32 20.35 -56.15 3.90 20.83 2 0 28.24 -999 ? CO CO B 601 >ARG~D 469 -59.20 9.62 16.99 -61.24 11.84 17.56 -60.22 10.73 17.27 2 0 26.21 -999 ? CO CO B 601 >GLN~D 470 -58.79 10.82 22.45 -60.55 10.84 23.62 -59.67 10.83 23.04 2 0 21.22 -999 ? CO CO B 601 >THR~D 471 -53.52 7.95 23.58 -53.31 5.94 24.26 -53.41 6.94 23.92 2 0 23.96 -999 ? CO CO B 601 >THR^D 472 -50.17 9.51 22.79 -49.82 11.57 23.27 -49.99 10.54 23.03 2 0 22.44 -999 ? CO CO B 601 >VAL^D 473 -46.47 8.65 22.72 -46.59 6.59 22.01 -46.53 7.62 22.37 3 0 26.44 -999 ? CO CO B 601 >ALA.D 474 -43.48 10.78 21.78 -42.94 10.08 20.54 -43.21 10.43 21.16 2 0 28.31 -999 ? CO CO B 601 >GLY.D 475 -45.94 13.67 21.62 -46.09 13.02 21.19 -46.01 13.35 21.41 1 0 24.58 -999 ? CO CO B 601 >ALA^D 476 -48.11 12.22 18.83 -47.33 11.86 17.57 -47.72 12.04 18.20 2 0 28.00 -999 ? CO CO B 601 >PRO^D 477 -51.81 11.35 16.75 -50.80 10.64 18.62 -51.30 10.99 17.69 3 0 27.00 -999 ? CO CO B 601 >LEU.D 478 -51.56 5.48 20.00 -50.64 3.90 21.14 -51.10 4.69 20.57 3 0 27.95 -999 ? CO CO B 601 >ILE^D 479 -53.72 4.67 15.85 -54.71 3.87 16.54 -54.22 4.27 16.20 3 0 31.08 -999 ? CO CO B 601 >ILE^D 480 -52.05 8.69 12.19 -52.15 9.41 11.77 -52.10 9.05 11.98 3 0 32.71 -999 ? CO CO B 601 >ALA^D 481 -56.19 8.00 10.38 -57.49 8.77 10.62 -56.84 8.38 10.50 2 0 33.57 -999 ? CO CO B 601 >HIS^D 482 -54.01 6.93 5.03 -53.02 7.54 3.29 -53.51 7.23 4.16 3 0 40.36 -999 ? CO CO B 601 >ASP.D 483 -58.58 6.29 3.21 -57.68 7.02 1.41 -58.13 6.65 2.31 2 0 42.77 -999 ? CO CO B 601 >GLY.D 484 -61.10 4.99 6.17 -60.32 4.75 6.15 -60.71 4.87 6.16 1 0 39.32 -999 ? CO CO B 601 >VAL^D 485 -58.49 3.08 8.15 -57.49 2.17 6.47 -57.99 2.63 7.31 3 0 39.27 -999 ? CO CO B 601 >TRP^D 486 -57.24 5.87 13.25 -61.13 5.29 13.13 -59.19 5.58 13.19 3 0 32.73 -999 ? CO CO B 601 >LEU^D 487 -51.92 2.88 9.76 -52.02 4.14 8.02 -51.97 3.51 8.89 3 0 37.91 -999 ? CO CO B 601 >LEU^D 488 -48.70 1.78 13.90 -47.59 1.46 15.72 -48.15 1.62 14.81 3 0 34.92 -999 ? CO CO B 601 >GLY~D 489 -48.33 6.41 14.20 -47.91 5.68 14.18 -48.12 6.04 14.19 1 0 32.81 -999 ? CO CO B 601 >ASN~D 490 -44.37 8.22 11.97 -45.14 7.84 10.02 -44.75 8.03 10.99 2 0 36.75 -999 ? CO CO B 601 >ALA~D 491 -43.78 7.85 16.51 -44.68 8.57 17.52 -44.23 8.21 17.02 2 0 30.43 -999 ? CO CO B 601 >CYH~D 492 -44.23 4.22 17.61 -46.65 4.48 18.92 -45.44 4.35 18.26 2 0 30.65 -999 ? CO CO B 601 >ARG~D 493 -45.10 3.83 11.19 -47.01 3.80 8.80 -46.06 3.81 10.00 2 0 38.93 -999 ? CO CO B 601 >GLU~D 494 -39.68 6.72 14.16 -38.72 6.29 12.32 -39.20 6.51 13.24 2 0 38.22 -999 ? CO CO B 601 >ILE~D 495 -40.41 2.95 19.68 -39.56 3.77 20.49 -39.99 3.36 20.08 3 0 33.50 -999 ? CO CO B 601 >LEU~D 496 -42.21 -0.99 16.83 -43.23 -0.76 18.72 -42.72 -0.88 17.77 3 0 36.22 -999 ? CO CO B 601 >ARG.D 497 -38.09 2.21 11.94 -38.43 1.60 8.94 -38.26 1.90 10.44 2 0 43.01 -999 ? CO CO B 601 >LYS.D 498 -35.17 -1.40 17.07 -35.56 3.58 19.48 -35.37 1.09 18.28 2 0 36.30 -999 ? CO CO B 601 >VAL.D 499 -36.78 -4.84 17.38 -38.81 -5.41 17.86 -37.79 -5.13 17.62 3 0 41.29 -999 ? CO CO B 601 >GLU.D 500 -32.61 -9.07 15.95 -31.11 -9.73 17.26 -31.86 -9.40 16.60 2 0 48.01 -999 ? CO CO B 601 >PRO.D 501 -34.39 -8.24 11.64 -35.97 -8.60 13.17 -35.18 -8.42 12.41 3 0 47.76 -999 ? CO CO B 601 >SER.D 502 -37.74 -12.45 13.36 -35.85 -12.54 14.89 -36.80 -12.49 14.12 2 0 46.36 -999 ? CL CL D 584 >PRO.D 503 -39.84 -16.27 13.98 -40.31 -14.24 13.22 -40.07 -15.26 13.60 3 0 43.20 -999 ? CL CL D 584 >PHE.D 504 -43.43 -13.10 17.87 -42.90 -11.74 20.27 -43.16 -12.42 19.07 3 0 38.33 -999 ? CL CL D 584 >SER.D 505 -41.73 -9.76 15.47 -39.93 -8.23 14.94 -40.83 -9.00 15.21 2 0 44.01 -999 ? CO CO B 601 >PRO.D 506 -42.13 -5.77 17.13 -43.21 -7.00 15.62 -42.67 -6.38 16.37 3 0 40.79 -999 ? CO CO B 601 >VAL.D 507 -44.19 -4.04 12.55 -43.55 -2.28 13.67 -43.87 -3.16 13.11 3 0 40.39 -999 ? CO CO B 601 >ARG.D 508 -44.84 -9.89 10.68 -43.98 -12.84 10.86 -44.41 -11.37 10.77 2 0 42.74 -999 ? CL CL D 584 >TYR.D 509 -46.41 -3.58 8.47 -47.44 -2.02 10.56 -46.92 -2.80 9.52 3 0 41.88 -999 ? CO CO B 601 >LEU.D 510 -41.77 -0.86 8.85 -43.18 0.33 9.96 -42.48 -0.27 9.40 3 0 41.94 -999 ? CO CO B 601 >SER.D 511 -39.68 -3.25 5.09 -39.34 -5.31 6.35 -39.51 -4.28 5.72 2 0 48.17 -999 ? CO CO B 601 >THR.D 512 -38.54 -2.32 1.60 -36.53 -1.86 0.90 -37.53 -2.09 1.25 2 0 51.66 -999 ? CO CO B 601 >ASP~D 513 -38.79 -7.14 1.59 -39.37 -8.98 0.74 -39.08 -8.06 1.16 2 0 53.97 -999 ? CL CL D 584 >GLN~D 514 -40.25 -7.94 -4.07 -41.63 -9.57 -4.25 -40.94 -8.76 -4.16 2 0 56.29 -999 ? CL CL D 584 >ALA~D 515 -42.74 -9.40 -0.58 -41.92 -10.49 0.09 -42.33 -9.95 -0.25 2 0 52.52 -999 ? CL CL D 584 >GLU~D 516 -42.80 -7.83 4.54 -44.49 -8.80 5.37 -43.65 -8.32 4.95 2 0 47.51 -999 ? CL CL D 584 >LEU~D 517 -43.98 -3.72 -0.78 -42.59 -2.10 -0.48 -43.29 -2.91 -0.63 3 0 51.02 -999 ? CO CO B 601 >THR~D 518 -47.09 -6.71 -1.96 -46.70 -7.97 -3.67 -46.89 -7.34 -2.81 2 0 53.62 -999 ? CL CL D 584 >ASN~D 519 -47.91 -9.24 2.09 -48.21 -11.33 1.82 -48.06 -10.29 1.95 2 0 47.43 -999 ? CL CL D 584 >ALA~D 520 -49.49 -5.08 2.64 -48.45 -4.07 3.09 -48.97 -4.58 2.86 2 0 47.33 -999 ? CO CO B 601 >ALA~D 521 -50.85 -3.82 -0.69 -50.06 -3.77 -1.97 -50.46 -3.79 -1.33 2 0 51.10 -999 ? CO CO B 601 >MET?D 522 -52.97 -6.89 -1.23 -52.86 -8.39 -4.17 -52.92 -7.64 -2.70 2 0 51.19 -999 ? CL CL D 584 >LEU~D 523 -53.61 -6.51 3.57 -54.43 -7.04 5.50 -54.02 -6.78 4.54 3 0 43.94 -999 ? CL CL D 584 >TRP~D 524 -56.48 -0.54 -0.38 -55.97 2.42 2.16 -56.22 0.94 0.89 3 0 45.75 -999 ? CO CO B 601 >LEU~D 525 -56.32 -4.90 -3.10 -54.96 -3.98 -4.50 -55.64 -4.44 -3.80 3 0 51.22 -999 ? CL CL D 584 >SER~D 526 -58.82 -7.27 -0.29 -56.94 -8.20 0.96 -57.88 -7.73 0.33 2 0 45.29 -999 ? CL CL D 584 >GLU~D 527 -59.09 -6.64 4.61 -58.62 -6.57 6.67 -58.86 -6.61 5.64 2 0 40.46 -999 ? CL CL D 584 >VAL~D 528 -60.56 -1.61 1.91 -59.36 0.13 2.45 -59.96 -0.74 2.18 3 0 45.44 -999 ? CO CO B 601 >GLY.D 529 -60.99 -1.41 -1.85 -60.19 -1.23 -1.67 -60.59 -1.32 -1.76 1 0 49.26 -999 ? CL CL D 584 >ASP.D 530 -59.88 1.82 -5.30 -61.52 1.11 -6.44 -60.70 1.47 -5.87 2 0 52.39 -999 ? CO CO B 601 >LEU^D 531 -54.62 -0.27 -3.38 -52.46 -0.49 -3.26 -53.54 -0.38 -3.32 3 0 50.25 -999 ? CO CO B 601 >ALA^D 532 -53.82 4.26 -4.22 -54.23 5.59 -3.62 -54.02 4.93 -3.92 2 0 48.12 -999 ? CO CO B 601 >THR~D 533 -50.09 4.32 -4.82 -48.83 5.53 -6.07 -49.46 4.92 -5.45 2 0 51.11 -999 ? CO CO B 601 >SER~D 534 -49.98 6.67 -1.80 -52.14 7.86 -1.81 -51.06 7.27 -1.81 2 0 45.89 -999 ? CO CO B 601 >ASP~D 535 -52.95 3.51 0.38 -54.54 4.73 -0.29 -53.74 4.12 0.05 2 0 45.31 -999 ? CO CO B 601 >LEU~D 536 -48.37 1.22 -1.15 -47.37 -0.57 -0.46 -47.87 0.33 -0.80 3 0 48.53 -999 ? CO CO B 601 >MET?D 537 -46.47 4.61 1.18 -45.67 7.59 -1.81 -46.07 6.10 -0.31 2 0 47.21 -999 ? CO CO B 601 >ALA~D 538 -48.40 5.18 4.41 -49.83 5.70 4.46 -49.11 5.44 4.43 2 0 41.22 -999 ? CO CO B 601 >MET?D 539 -48.68 1.54 5.47 -51.64 -0.81 3.51 -50.16 0.37 4.49 2 0 44.71 -999 ? CO CO B 601 >CYH~D 540 -45.10 0.44 4.92 -46.00 -1.63 3.31 -45.55 -0.59 4.11 2 0 46.41 -999 ? CO CO B 601 >GLY.D 541 -43.72 3.97 5.12 -43.54 3.34 4.60 -43.63 3.66 4.86 1 0 42.95 -999 ? CO CO B 601 >VAL.D 542 -41.64 3.84 1.94 -42.23 1.81 1.39 -41.93 2.82 1.67 3 0 46.95 -999 ? CO CO B 601 >SER~D 543 -40.55 6.01 -1.01 -38.18 6.19 -0.44 -39.36 6.10 -0.73 2 0 48.91 -999 ? CO CO B 601 >ARG~D 544 -44.20 9.21 -6.55 -47.17 8.80 -5.88 -45.68 9.00 -6.22 2 0 50.30 -999 ? CO CO B 601 >GLY~D 545 -40.14 4.88 -6.07 -40.61 4.57 -5.44 -40.38 4.72 -5.75 1 0 53.53 -999 ? CO CO B 601 >THR~D 546 -40.17 1.67 -4.03 -38.78 1.96 -2.39 -39.48 1.82 -3.21 2 0 51.83 -999 ? CO CO B 601 >ALA~D 547 -43.93 2.05 -3.58 -44.59 3.25 -2.91 -44.26 2.65 -3.24 2 0 49.96 -999 ? CO CO B 601 >LYS~D 548 -45.07 2.58 -7.19 -46.88 3.21 -12.56 -45.98 2.89 -9.88 2 0 58.25 -999 ? CO CO B 601 >ALA~D 549 -42.61 -0.19 -8.03 -41.22 -0.33 -7.43 -41.91 -0.26 -7.73 2 0 56.26 -999 ? CO CO B 601 >CYH~D 550 -44.49 -2.85 -6.03 -45.89 -4.07 -3.94 -45.19 -3.46 -4.99 2 0 53.70 -999 ? CO CO B 601 >VAL~D 551 -47.76 -1.58 -7.52 -48.91 0.25 -7.21 -48.33 -0.66 -7.37 3 0 54.67 -999 ? CO CO B 601 >ASP~D 552 -45.18 -1.64 -11.63 -45.25 0.44 -12.00 -45.22 -0.60 -11.82 2 0 59.01 -999 ? CO CO B 601 >GLY~D 553 -45.73 -5.80 -10.13 -46.45 -5.41 -10.12 -46.09 -5.60 -10.12 1 0 59.84 -999 ? CO CO B 601 >LEU~D 554 -50.11 -5.86 -7.98 -49.52 -5.95 -5.92 -49.82 -5.91 -6.95 3 0 55.59 -999 ? CL CL D 584 >VAL~D 555 -50.43 -5.09 -12.52 -50.77 -3.00 -13.04 -50.60 -4.04 -12.78 3 0 60.60 -999 ? CO CO B 601 >ASP~D 556 -46.56 -7.25 -14.52 -45.75 -5.33 -14.96 -46.16 -6.29 -14.74 2 0 63.85 -999 ? CO CO B 601 >GLU~D 557 -47.34 -10.90 -11.00 -46.96 -11.65 -9.06 -47.15 -11.27 -10.03 2 0 57.09 -999 ? CL CL D 584 >GLU.D 558 -52.71 -10.03 -15.98 -53.77 -11.14 -17.43 -53.24 -10.58 -16.70 2 0 62.13 -999 ? CL CL D 584 >ARG.D 559 -51.61 -11.25 -8.79 -50.10 -13.92 -8.53 -50.86 -12.59 -8.66 2 0 54.80 -999 ? CL CL D 584 >VAL^D 560 -54.77 -5.37 -10.09 -53.41 -4.54 -8.57 -54.09 -4.95 -9.33 3 0 56.37 -999 ? CL CL D 584 >VAL^D 561 -55.96 -3.24 -13.03 -57.92 -3.25 -14.04 -56.94 -3.25 -13.53 3 0 59.84 -999 ? CL CL D 584 >ALA^D 562 -55.20 0.47 -13.45 -54.20 1.04 -14.44 -54.70 0.75 -13.95 2 0 59.82 -999 ? CO CO B 601 >VAL^D 563 -58.28 2.65 -12.99 -59.81 2.36 -11.45 -59.05 2.50 -12.22 3 0 57.14 -999 ? CO CO B 601 >GLY.D 564 -59.02 6.38 -12.92 -58.46 6.02 -13.40 -58.74 6.20 -13.16 1 0 56.60 -999 ? CO CO B 601 >GLY.D 565 -57.06 9.11 -14.66 -57.36 9.34 -13.95 -57.21 9.22 -14.31 1 0 57.61 -999 ? CO CO B 601 >GLY.D 566 -54.81 11.85 -13.37 -54.85 11.13 -13.00 -54.83 11.49 -13.19 1 0 55.86 -999 ? CO CO B 601 >ARG.D 567 -54.02 16.35 -9.17 -51.97 16.95 -6.95 -52.99 16.65 -8.06 2 0 49.04 -999 ? CO CO B 601 >SER.D 568 -56.94 9.99 -8.89 -58.86 10.52 -10.30 -57.90 10.26 -9.59 2 0 53.04 -999 ? CO CO B 601 >ARG.D 569 -54.15 5.15 -12.65 -51.86 4.06 -14.39 -53.00 4.60 -13.52 2 0 58.97 -999 ? CO CO B 601 >ARG^D 570 -57.66 4.97 -5.12 -58.04 6.02 -2.24 -57.85 5.50 -3.68 2 0 46.54 -999 ? CO CO B 601 >TYR^D 571 -53.37 0.79 -8.96 -51.53 2.51 -10.16 -52.45 1.65 -9.56 3 0 55.20 -999 ? CO CO B 601 >ARG^D 572 -61.59 -1.91 -10.50 -63.89 0.12 -10.28 -62.74 -0.90 -10.39 2 0 56.31 -999 ? CO CO D 601 >LEU^D 573 -57.57 -6.88 -6.79 -58.97 -7.15 -5.18 -58.27 -7.02 -5.98 3 0 51.40 -999 ? CL CL D 584 >VAL.D 574 -59.58 -8.84 -10.09 -58.15 -9.18 -11.71 -58.86 -9.01 -10.90 3 0 55.14 -999 ? CL CL D 584 >GLU.D 575 -64.03 -12.79 -8.29 -65.81 -13.40 -9.24 -64.92 -13.09 -8.77 2 0 51.13 -999 ? CL CL D 584