HEADER KETOLISOMERASE 28-NOV-97 1A0E COMPND XYLOSE ISOMERASE; COMPND 3 CHAIN: A, D; COMPND 4 SYNONYM: GLUCOSE ISOMERASE; COMPND 5 EC: 5.3.1.5; COMPND 6 ENGINEERED: YES; COMPND 7 BIOLOGICAL_UNIT: TETRAMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA NEAPOLITANA; SOURCE 3 STRAIN: 5068; SOURCE 4 CELLULAR_LOCATION: CYTOPLASM; SOURCE 5 GENE: XYLA; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HB101; SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PTNE2; SOURCE 11 EXPRESSION_SYSTEM_GENE: XYLA AUTHOR O.GALLAY,R.CHOPRA,E.CONTI,P.BRICK,D.BLOW HET CO A 491 1 HET CO A 492 1 HET CO A 493 1 HET CO D 491 1 HET CO D 492 1 HET CO D 493 1 SITE 1 CO1 5 GLU A 231 GLU A 267 ASP A 295 ASP A 338 SITE 1 CO2 5 GLU A 267 HIS A 270 HOH A 626 HOH A 627 SITE 1 CO3 1 GLU A 2 SITE 1 CO4 5 GLU D 231 GLU D 267 ASP D 295 ASP D 338 SITE 1 CO5 5 GLU D 267 HIS D 270 HOH D 626 HOH D 627 SITE 1 CO6 1 GLU D 2 >ALA.A 1 75.51 -1.57 29.46 75.43 -0.63 30.69 75.47 -1.10 30.08 2 0 9.05 -999 ? CO CO A 493 >GLU.A 2 79.74 -3.47 27.14 81.74 -3.10 26.82 80.74 -3.28 26.98 2 0 -2.81 -999 ? CO CO A 493s >PHE.A 3 75.95 -2.96 22.12 77.66 -4.51 20.55 76.80 -3.74 21.34 3 0 5.52 -999 ? CO CO A 493 >PHE.A 4 71.29 -0.42 23.93 70.95 -2.04 21.66 71.12 -1.23 22.80 3 0 10.63 -999 ? CO CO A 493 >PRO.A 5 75.97 3.75 26.66 74.55 2.31 27.61 75.26 3.03 27.14 3 0 10.00 -999 ? CO CO A 493 >GLU.A 6 71.28 6.03 26.34 72.70 5.19 25.00 71.99 5.61 25.67 2 0 13.01 -999 ? CO CO A 493 >ILE.A 7 68.58 1.92 27.82 68.07 2.35 27.25 68.33 2.14 27.54 3 0 14.64 -999 ? CO CO A 493 >PRO.A 8 67.14 2.46 32.90 68.72 1.30 31.85 67.93 1.88 32.38 3 0 16.43 -999 ? CO CO A 493 >LYS.A 9 67.04 -2.52 32.86 66.43 -8.60 34.21 66.74 -5.56 33.54 2 0 17.58 -999 ? CO CO A 493 >VAL.A 10 63.32 -1.79 32.70 62.15 -0.90 31.08 62.74 -1.35 31.89 3 0 19.77 -999 ? CO CO A 493 >GLN.A 11 63.20 -2.18 37.13 63.98 -1.61 39.03 63.59 -1.90 38.08 2 0 22.29 -999 ? CO CO A 493 >PHE.A 12 55.13 -3.10 37.26 52.40 -2.61 37.60 53.77 -2.85 37.43 3 0 28.44 -999 ? CO CO A 491 >GLU.A 13 58.41 2.63 37.55 59.21 4.52 36.99 58.81 3.58 37.27 2 0 26.56 -999 ? CO CO A 493 >GLY.A 14 52.47 0.88 37.85 52.78 1.29 37.27 52.62 1.08 37.56 1 0 30.27 -999 ? CO CO A 491 >LYS.A 15 49.41 2.43 36.22 44.40 1.96 40.22 46.90 2.20 38.22 2 0 34.54 -999 ? CO CO A 491 >GLU.A 16 48.16 6.59 38.73 47.59 7.02 40.70 47.88 6.80 39.71 2 0 36.38 -999 ? CO CO A 491 >SER.A 17 53.79 5.93 36.21 55.97 5.10 35.67 54.88 5.51 35.94 2 0 28.93 -999 ? CO CO A 493 >THR.A 18 55.01 8.83 34.13 55.72 10.61 35.20 55.37 9.72 34.66 2 0 31.31 -999 ? CO CO A 493 >ASN.A 19 59.48 7.04 34.08 61.18 6.19 33.16 60.33 6.61 33.62 2 0 24.08 -999 ? CO CO A 493 >PRO.A 20 59.93 8.36 29.07 58.63 6.81 30.01 59.28 7.59 29.54 3 0 25.39 -999 ? CO CO A 493 >LEU.A 21 62.65 4.11 30.33 63.92 4.69 28.67 63.29 4.40 29.50 3 0 20.44 -999 ? CO CO A 493 >ALA.A 22 58.85 2.01 32.67 58.51 2.87 33.86 58.68 2.44 33.26 2 0 25.33 -999 ? CO CO A 493 >PHE.A 23 57.28 -2.85 31.73 59.06 -4.24 30.07 58.17 -3.55 30.90 3 0 22.17 -999 ? CO CO A 491 >LYS.A 24 52.77 0.70 33.36 55.66 4.57 30.58 54.21 2.64 31.97 2 0 25.82 -999 ? CO CO A 491 >PHE.A 25 49.13 -1.10 31.49 48.24 1.50 30.98 48.68 0.20 31.23 3 0 24.84 -999 ? CO CO A 491 >TYR.A 26 54.73 -6.68 30.83 55.95 -9.17 30.57 55.34 -7.92 30.70 3 0 20.62 -999 ? CO CO A 491 >ASP.A 27 53.74 -6.75 36.77 54.85 -7.35 38.49 54.29 -7.05 37.63 2 0 28.40 -999 ? CO CO A 491 >PRO.A 28 58.25 -8.02 33.62 56.44 -9.05 34.41 57.34 -8.54 34.02 3 0 23.88 -999 ? CO CO A 491 >GLU.A 29 58.59 -11.94 39.14 59.80 -12.51 37.50 59.20 -12.22 38.32 2 0 25.70 -999 ? CO CO A 493 >GLU.A 30 50.55 -10.22 38.42 49.34 -8.53 38.03 49.94 -9.37 38.22 2 0 28.45 -999 ? CO CO A 491 >ILE.A 31 51.99 -15.72 39.80 51.95 -16.44 41.09 51.97 -16.08 40.45 3 0 30.59 -999 ? CO CO A 491 >ILE.A 32 47.70 -14.66 35.98 46.86 -13.63 35.32 47.28 -14.15 35.65 3 0 26.66 -999 ? CO CO A 491 >ASP.A 33 46.18 -19.42 36.34 44.31 -18.50 36.05 45.25 -18.96 36.19 2 0 28.81 -999 ? CO CO A 491 >GLY.A 34 50.19 -20.19 39.03 50.15 -19.72 38.40 50.17 -19.95 38.72 1 0 30.37 -999 ? CO CO A 491 >LYS.A 35 52.21 -18.71 36.14 50.86 -21.72 30.72 51.54 -20.21 33.43 2 0 23.19 -999 ? CO CO A 491 >PRO.A 36 56.17 -16.69 35.96 53.96 -16.16 36.11 55.07 -16.42 36.03 3 0 26.10 -999 ? CO CO A 491 >LEU~A 37 52.33 -11.51 33.81 50.69 -10.49 32.86 51.51 -11.00 33.34 3 0 23.28 -999 ? CO CO A 491 >LYS~A 38 55.68 -13.44 31.40 60.92 -15.84 33.82 58.30 -14.64 32.61 2 0 24.43 -999 ? CO CO A 493 >ASP~A 39 54.92 -18.18 31.82 56.96 -18.51 32.36 55.94 -18.34 32.09 2 0 23.10 -999 ? CO CO A 491 >HIS~A 40 49.75 -16.07 31.55 48.99 -17.13 33.19 49.37 -16.60 32.37 3 0 23.35 -999 ? CO CO A 491 >LEU~A 41 52.67 -12.14 27.52 50.92 -11.04 28.14 51.80 -11.59 27.83 3 0 17.80 -999 ? CO CO A 491 >LYS.A 42 55.83 -15.02 25.92 56.08 -20.77 24.59 55.95 -17.90 25.26 2 0 16.95 -999 ? CO CO A 491 >PHE.A 43 55.80 -9.75 25.52 53.44 -8.40 26.19 54.62 -9.07 25.86 3 0 15.67 -999 ? CO CO A 491 >SER.A 44 59.68 -12.05 21.76 60.32 -13.37 19.82 60.00 -12.71 20.79 2 0 10.78 -999 ? CO CO A 491 >VAL.A 45 61.86 -9.69 19.69 63.55 -8.98 20.89 62.70 -9.34 20.29 3 0 12.48 -999 ? CO CO A 491 >ALA.A 46 62.13 -9.83 15.92 61.05 -9.26 15.04 61.59 -9.55 15.48 2 0 7.64 -999 ? CO CO A 491 >PHE~A 47 68.17 -10.63 14.63 70.89 -10.04 14.64 69.53 -10.34 14.64 3 0 14.78 -999 ? CO CO A 491 >TRP~A 48 61.58 -8.50 10.63 61.13 -11.97 12.44 61.35 -10.24 11.54 3 0 6.18 -999 ? CO CO A 491 >HIS~A 49 60.65 -5.26 11.93 59.33 -5.35 10.30 59.99 -5.31 11.12 3 0 7.09 -999 ? CO CO A 492 >THR~A 50 65.04 -4.31 15.70 64.38 -4.75 17.71 64.71 -4.53 16.71 2 0 13.41 -999 ? CO CO A 491 >PHE.A 51 69.00 -6.40 16.92 68.19 -6.47 19.59 68.60 -6.44 18.25 3 0 14.03 -999 ? CO CO A 493 >VAL.A 52 68.92 -5.13 11.03 69.14 -6.92 9.76 69.03 -6.02 10.40 3 0 14.68 -999 ? CO CO A 491 >ASN.A 53 64.78 -2.72 10.32 63.60 -1.02 9.84 64.19 -1.87 10.08 2 0 11.92 -999 ? CO CO A 492 >GLU.A 54 69.84 0.65 10.27 71.73 0.63 9.36 70.79 0.64 9.82 2 0 18.84 -999 ? CO CO A 493 >GLY.A 55 64.35 3.13 8.81 64.76 2.78 8.25 64.56 2.95 8.53 1 0 15.21 -999 ? CO CO A 492 >ARG.A 56 66.68 1.19 2.12 69.66 1.44 1.47 68.17 1.32 1.80 2 0 19.39 -999 ? CO CO A 492 >ASP.A 57 60.27 4.20 3.76 60.36 6.32 3.38 60.32 5.26 3.57 2 0 16.49 -999 ? CO CO A 492 >PRO.A 58 58.48 2.94 0.06 60.69 3.19 0.10 59.58 3.07 0.08 3 0 14.88 -999 ? CO CO A 492 >PHE.A 59 58.96 7.45 -1.68 56.93 6.46 -3.35 57.94 6.96 -2.52 3 0 18.93 -999 ? CO CO A 492 >GLY.A 60 64.04 7.53 1.68 64.07 6.77 1.53 64.06 7.15 1.61 1 0 19.65 -999 ? CO CO A 492 >ASP.A 61 68.66 7.40 3.05 69.17 7.93 1.07 68.92 7.66 2.06 2 0 23.11 -999 ? CO CO A 492 >PRO.A 62 69.85 3.91 5.53 67.94 5.02 5.82 68.89 4.47 5.67 3 0 19.54 -999 ? CO CO A 492 >THR.A 63 67.56 7.14 9.53 65.47 7.65 9.28 66.51 7.39 9.41 2 0 19.47 -999 ? CO CO A 492 >ALA.A 64 68.30 4.88 12.51 68.09 3.37 12.52 68.20 4.13 12.51 2 0 18.58 -999 ? CO CO A 492 >ASP.A 65 70.95 7.00 15.80 72.79 7.66 16.59 71.87 7.33 16.20 2 0 17.10 -999 ? CO CO A 493 >ARG.A 66 69.73 1.23 16.13 66.95 2.51 15.93 68.34 1.87 16.03 2 0 18.15 -999 ? CO CO A 493 >PRO~A 67 74.21 0.44 19.33 75.05 1.77 17.75 74.63 1.11 18.54 3 0 10.75 -999 ? CO CO A 493 >TRP~A 68 74.25 -2.33 14.07 71.74 -2.26 17.10 72.99 -2.30 15.58 3 0 12.46 -999 ? CO CO A 493 >ASN~A 69 76.01 2.18 12.43 74.45 1.37 11.22 75.23 1.78 11.82 2 0 16.35 -999 ? CO CO A 493 >ARG.A 70 81.35 1.96 17.22 84.36 2.49 17.41 82.85 2.23 17.31 2 0 11.09 -999 ? CO CO A 493 >TYR.A 71 81.54 -2.75 14.66 81.93 -2.65 17.42 81.73 -2.70 16.04 3 0 9.15 -999 ? CO CO A 493 >THR.A 72 82.17 -1.36 8.73 83.60 -0.31 7.47 82.89 -0.84 8.10 2 0 18.21 -999 ? CO CO A 493 >ASP.A 73 84.54 -5.58 9.30 85.06 -7.57 8.72 84.80 -6.57 9.01 2 0 16.90 -999 ? CO CO A 493 >PRO~A 74 80.68 -6.63 5.48 80.84 -6.65 7.70 80.76 -6.64 6.59 3 0 18.36 -999 ? CO CO A 493 >MET~A 75 81.27 -9.74 10.24 81.03 -12.96 9.60 81.15 -11.35 9.92 2 0 17.26 -999 ? CO CO A 493 >ASP~A 76 83.03 -6.10 12.97 85.10 -6.64 12.96 84.07 -6.37 12.97 2 0 12.75 -999 ? CO CO A 493 >LYS~A 77 78.61 -5.88 12.55 76.04 -1.43 8.85 77.32 -3.65 10.70 2 0 17.10 -999 ? CO CO A 493 >ALA~A 78 77.04 -9.37 12.52 77.42 -10.50 11.57 77.23 -9.94 12.05 2 0 14.82 -999 ? CO CO A 493 >PHE~A 79 80.59 -11.72 15.53 81.39 -14.20 14.53 80.99 -12.96 15.03 3 0 12.70 -999 ? CO CO A 493 >ALA~A 80 78.04 -6.67 17.31 78.38 -5.36 16.62 78.21 -6.01 16.96 2 0 8.63 -999 ? CO CO A 493 >ARG~A 81 73.03 -6.46 13.05 73.32 -4.99 10.37 73.18 -5.73 11.71 2 0 16.35 -999 ? CO CO A 493 >VAL~A 82 74.28 -10.65 18.40 74.91 -12.65 17.87 74.59 -11.65 18.13 3 0 11.40 -999 ? CO CO A 493 >ASP~A 83 77.05 -8.28 21.60 78.67 -9.67 21.41 77.86 -8.97 21.51 2 0 6.27 -999 ? CO CO A 493 >ALA~A 84 73.18 -6.08 21.27 73.06 -5.11 20.11 73.12 -5.59 20.69 2 0 9.15 -999 ? CO CO A 493 >LEU~A 85 70.48 -9.92 20.12 68.88 -11.39 20.21 69.68 -10.65 20.17 3 0 13.42 -999 ? CO CO A 493 >PHE~A 86 72.04 -12.42 23.87 71.80 -14.77 22.36 71.92 -13.60 23.12 3 0 12.58 -999 ? CO CO A 493 >GLU~A 87 72.75 -4.63 26.68 74.04 -3.08 26.07 73.40 -3.86 26.38 2 0 7.17 -999 ? CO CO A 493 >PHE~A 88 66.83 -4.84 22.65 64.52 -3.46 21.88 65.68 -4.15 22.27 3 0 15.43 -999 ? CO CO A 493 >CYH~A 89 66.41 -8.56 25.82 66.14 -10.24 23.65 66.27 -9.40 24.73 2 0 15.71 -999 ? CO CO A 493 >GLU~A 90 69.86 -8.71 30.97 71.93 -9.12 31.24 70.90 -8.91 31.11 2 0 11.75 -999 ? CO CO A 493 >LYS~A 91 67.13 -4.69 29.82 72.11 -0.98 28.78 69.62 -2.84 29.30 2 0 10.38 -999 ? CO CO A 493 >LEU~A 92 63.43 -4.82 26.70 62.58 -2.92 26.12 63.00 -3.87 26.41 3 0 17.96 -999 ? CO CO A 493 >ASN.A 93 61.90 -7.62 31.06 62.31 -7.77 33.13 62.10 -7.70 32.10 2 0 20.51 -999 ? CO CO A 493 >ILE.A 94 62.34 -9.81 25.73 61.64 -9.38 24.60 61.99 -9.60 25.16 3 0 16.28 -999 ? CO CO A 491 >GLU.A 95 62.69 -14.39 29.46 61.76 -15.47 30.99 62.22 -14.93 30.23 2 0 21.90 -999 ? CO CO A 491 >TYR.A 96 60.67 -16.68 24.01 59.77 -18.75 25.64 60.22 -17.72 24.82 3 0 16.41 -999 ? CO CO A 491 >PHE.A 97 66.20 -14.30 19.63 68.07 -16.25 18.95 67.14 -15.28 19.29 3 0 15.17 -999 ? CO CO A 491 >CYH.A 98 63.03 -14.85 16.36 60.34 -15.42 16.93 61.68 -15.14 16.65 2 0 9.05 -999 ? CO CO A 491 >PHE.A 99 67.29 -16.07 13.92 68.05 -18.77 13.89 67.67 -17.42 13.90 3 0 14.04 -999 ? CO CO A 491 >HIS.A 100 64.10 -13.77 8.47 62.14 -13.02 8.34 63.12 -13.39 8.40 3 0 8.17 -999 ? CO CO A 491 >ASP~A 101 68.96 -18.36 7.83 67.90 -18.18 6.01 68.43 -18.27 6.92 2 0 14.81 -999 ? CO CO A 491 >ARG~A 102 70.93 -15.29 3.76 71.50 -18.28 3.36 71.22 -16.79 3.56 2 0 18.81 -999 ? CO CO A 491 >ASP~A 103 68.27 -11.68 10.44 66.35 -11.31 9.61 67.31 -11.50 10.03 2 0 10.96 -999 ? CO CO A 491 >ILE~A 104 72.06 -14.29 12.45 71.32 -15.49 12.88 71.69 -14.89 12.66 3 0 16.76 -999 ? CO CO A 491 >ALA.A 105 75.05 -13.69 8.99 75.51 -15.13 9.19 75.28 -14.41 9.09 2 0 19.46 -999 ? CO CO A 493 >PRO.A 106 78.14 -11.69 6.85 76.06 -12.31 6.36 77.10 -12.00 6.60 3 0 19.95 -999 ? CO CO A 493 >GLU.A 107 74.16 -15.43 1.31 72.63 -15.26 -0.14 73.40 -15.34 0.58 2 0 20.52 -999 ? CO CO A 491 >GLY.A 108 78.98 -15.81 0.67 78.23 -15.76 0.31 78.61 -15.78 0.49 1 0 25.84 -999 ? CO CO A 491 >THR.A 110 78.26 -20.03 -2.76 80.12 -21.16 -2.98 79.19 -20.60 -2.87 2 0 29.69 -999 ? CO CO A 491 >LEU~A 111 74.79 -22.86 -0.85 73.02 -23.26 0.27 73.90 -23.06 -0.29 3 0 24.26 -999 ? CO CO A 491 >ARG~A 112 81.88 -25.94 0.37 80.62 -28.78 0.35 81.25 -27.36 0.36 2 0 32.15 -999 ? CO CO A 491 >GLU~A 113 82.17 -19.01 0.41 82.85 -17.37 1.54 82.51 -18.19 0.98 2 0 26.51 -999 ? CO CO A 493 >THR~A 114 77.30 -18.90 3.17 75.48 -18.16 2.24 76.39 -18.53 2.71 2 0 22.64 -999 ? CO CO A 491 >ASN~A 115 76.42 -23.30 5.08 74.40 -23.55 4.42 75.41 -23.43 4.75 2 0 23.25 -999 ? CO CO A 491 >LYS~A 116 80.26 -21.67 6.89 85.64 -23.83 4.28 82.95 -22.75 5.59 2 0 28.35 -999 ? CO CO A 493 >ILE~A 117 79.50 -16.85 6.61 79.87 -15.59 5.90 79.68 -16.22 6.26 3 0 21.80 -999 ? CO CO A 493 >LEU~A 118 75.33 -19.47 8.40 73.25 -19.30 8.88 74.29 -19.38 8.64 3 0 20.51 -999 ? CO CO A 491 >ASP~A 119 78.75 -22.56 11.19 77.62 -24.12 10.32 78.18 -23.34 10.75 2 0 24.30 -999 ? CO CO A 493 >VAL~A 121 77.53 -16.50 14.16 76.59 -15.37 12.54 77.06 -15.93 13.35 3 0 16.38 -999 ? CO CO A 493 >VAL~A 122 75.29 -19.37 15.28 74.04 -20.92 14.34 74.66 -20.15 14.81 3 0 19.27 -999 ? CO CO A 493 >ARG~A 124 80.16 -13.62 19.02 83.11 -12.99 19.63 81.64 -13.31 19.32 2 0 9.87 -999 ? CO CO A 493 >ILE~A 125 73.52 -17.12 18.48 72.40 -16.64 17.69 72.96 -16.88 18.08 3 0 15.86 -999 ? CO CO A 493 >LYS~A 126 74.67 -20.26 21.48 75.58 -25.62 19.38 75.12 -22.94 20.43 2 0 22.05 -999 ? CO CO A 493 >GLU~A 127 79.69 -19.50 22.85 81.34 -18.50 21.92 80.52 -19.00 22.39 2 0 13.90 -999 ? CO CO A 493 >MET~A 129 72.35 -17.95 24.96 70.01 -19.88 22.14 71.18 -18.92 23.55 2 0 18.67 -999 ? CO CO A 493 >SER.A 132 71.57 -15.83 29.40 70.30 -13.92 28.57 70.93 -14.88 28.99 2 0 14.36 -999 ? CO CO A 493 >VAL.A 134 66.72 -15.83 26.20 67.96 -14.32 25.14 67.34 -15.07 25.67 3 0 16.93 -999 ? CO CO A 493 >LYS.A 135 65.52 -18.63 23.91 62.65 -19.26 28.22 64.09 -18.94 26.07 2 0 20.73 -999 ? CO CO A 491 >LEU.A 136 65.42 -20.03 19.35 65.52 -19.78 17.22 65.47 -19.91 18.28 3 0 15.27 -999 ? CO CO A 491 >LEU.A 137 59.99 -17.65 19.84 57.91 -17.67 20.34 58.95 -17.66 20.09 3 0 12.00 -999 ? CO CO A 491 >TRP^A 138 57.84 -18.04 16.10 58.92 -15.72 13.10 58.38 -16.88 14.60 3 0 7.42 -999 ? CO CO A 491 >GLY^A 139 63.44 -19.57 13.24 62.65 -19.85 13.08 63.05 -19.71 13.16 1 0 11.71 -999 ? CO CO A 491 >THR^A 140 62.85 -19.13 9.53 61.57 -17.45 8.96 62.21 -18.29 9.24 2 0 8.66 -999 ? CO CO A 491 >ALA.A 141 64.63 -18.93 6.19 64.76 -20.17 5.30 64.69 -19.55 5.75 2 0 13.70 -999 ? CO CO A 491 >ASN.A 142 65.54 -14.50 4.39 65.13 -12.82 3.13 65.33 -13.66 3.76 2 0 12.20 -999 ? CO CO A 491 >LEU.A 143 62.53 -18.20 0.73 63.17 -20.21 1.20 62.85 -19.20 0.97 3 0 14.25 -999 ? CO CO A 491 >PHE.A 144 61.43 -12.55 1.45 62.00 -11.76 4.08 61.71 -12.15 2.77 3 0 9.91 -999 ? CO CO A 491 >SER.A 145 65.23 -10.89 -0.40 65.23 -9.98 1.86 65.23 -10.43 0.73 2 0 12.78 -999 ? CO CO A 492 >HIS.A 146 69.90 -13.71 -3.35 71.37 -14.10 -4.78 70.64 -13.91 -4.07 3 0 21.13 -999 ? CO CO A 491 >PRO~A 147 68.98 -10.05 -6.33 67.56 -11.69 -5.84 68.27 -10.87 -6.08 3 0 20.17 -999 ? CO CO A 492 >ARG~A 148 68.60 -18.33 -4.72 70.59 -17.01 -2.78 69.60 -17.67 -3.75 2 0 20.83 -999 ? CO CO A 491 >TYR~A 149 64.41 -16.55 -3.41 65.90 -18.51 -2.09 65.15 -17.53 -2.75 3 0 17.43 -999 ? CO CO A 491 >MET.A 150 62.33 -12.82 -7.89 64.62 -11.98 -11.20 63.48 -12.40 -9.55 2 0 22.29 -999 ? CO CO A 492 >HIS.A 151 60.83 -15.47 -11.76 61.38 -14.23 -13.35 61.10 -14.85 -12.56 3 0 22.81 -999 ? CO CO A 492 >GLY.A 152 59.44 -17.19 -6.01 60.20 -17.21 -6.33 59.82 -17.20 -6.17 1 0 17.55 -999 ? CO CO A 492 >ALA.A 153 61.17 -19.97 -4.11 61.30 -19.90 -2.61 61.23 -19.93 -3.36 2 0 16.54 -999 ? CO CO A 491 >ALA.A 154 59.16 -23.21 -4.15 58.31 -23.76 -3.02 58.73 -23.49 -3.58 2 0 18.38 -999 ? CO CO A 491 >THR.A 155 56.97 -21.60 -6.82 55.52 -20.46 -5.66 56.25 -21.03 -6.24 2 0 18.38 -999 ? CO CO A 491 >THR.A 156 59.90 -20.43 -8.96 62.02 -20.90 -9.01 60.96 -20.67 -8.98 2 0 22.53 -999 ? CO CO A 491 >CYH.A 157 60.13 -21.29 -12.65 60.78 -18.83 -13.79 60.46 -20.06 -13.22 2 0 25.24 -999 ? CO CO A 492 >SER.A 158 63.78 -22.35 -12.23 66.14 -21.78 -12.07 64.96 -22.07 -12.15 2 0 26.92 -999 ? CO CO A 491 >ALA~A 159 64.62 -25.77 -10.78 64.75 -27.07 -11.57 64.69 -26.42 -11.18 2 0 28.48 -999 ? CO CO A 491 >ASP~A 160 68.99 -23.61 -10.48 70.17 -24.81 -11.79 69.58 -24.21 -11.13 2 0 29.76 -999 ? CO CO A 491 >VAL~A 161 66.22 -21.92 -7.44 65.41 -19.90 -7.66 65.82 -20.91 -7.55 3 0 22.76 -999 ? CO CO A 491 >PHE~A 162 62.17 -26.54 -6.18 60.46 -28.19 -4.70 61.32 -27.37 -5.44 3 0 23.16 -999 ? CO CO A 491 >ALA~A 163 67.06 -26.61 -5.22 68.09 -27.11 -6.23 67.57 -26.86 -5.73 2 0 26.07 -999 ? CO CO A 491 >TYR~A 164 69.95 -21.42 -3.35 71.53 -19.82 -1.71 70.74 -20.62 -2.53 3 0 22.01 -999 ? CO CO A 491 >ALA~A 165 65.59 -22.94 -1.58 64.25 -22.58 -2.19 64.92 -22.76 -1.89 2 0 18.93 -999 ? CO CO A 491 >ALA~A 166 65.32 -26.57 -0.42 65.15 -27.80 -1.31 65.23 -27.19 -0.87 2 0 22.28 -999 ? CO CO A 491 >ALA~A 167 68.97 -26.50 0.64 70.12 -26.27 -0.31 69.55 -26.39 0.17 2 0 23.41 -999 ? CO CO A 491 >GLN~A 168 68.23 -20.71 2.88 67.84 -18.78 2.06 68.03 -19.74 2.47 2 0 16.62 -999 ? CO CO A 491 >VAL~A 169 65.50 -24.41 4.34 63.35 -24.55 3.98 64.42 -24.48 4.16 3 0 16.96 -999 ? CO CO A 491 >LYS~A 170 67.40 -27.60 5.25 71.66 -30.84 5.11 69.53 -29.22 5.18 2 0 25.78 -999 ? CO CO A 491 >LYS~A 171 70.13 -25.53 6.91 74.97 -25.65 9.02 72.55 -25.59 7.96 2 0 24.15 -999 ? CO CO A 491 >ALA~A 172 67.52 -23.30 8.54 66.47 -22.51 7.79 66.99 -22.91 8.17 2 0 15.79 -999 ? CO CO A 491 >LEU~A 173 65.16 -27.51 9.28 63.04 -27.88 9.21 64.10 -27.69 9.24 3 0 18.38 -999 ? CO CO A 491 >GLU~A 174 70.27 -29.10 9.64 71.80 -29.20 8.18 71.03 -29.15 8.91 2 0 24.20 -999 ? CO CO A 491 >ILE~A 175 70.86 -23.11 12.59 71.16 -22.18 11.50 71.01 -22.65 12.04 3 0 19.21 -999 ? CO CO A 491 >THR~A 176 66.68 -23.96 14.52 64.75 -23.20 13.81 65.72 -23.58 14.16 2 0 15.33 -999 ? CO CO A 491 >LYS~A 177 66.80 -27.44 16.04 68.17 -33.51 16.23 67.48 -30.48 16.14 2 0 26.07 -999 ? CO CO A 491 >GLU~A 178 72.78 -26.88 16.96 74.36 -26.47 15.63 73.57 -26.68 16.30 2 0 24.33 -999 ? CO CO A 493 >LEU.A 179 69.14 -22.08 18.25 70.91 -21.00 17.58 70.03 -21.54 17.91 3 0 19.23 -999 ? CO CO A 491 >GLY.A 180 66.20 -25.15 20.52 66.14 -24.59 19.98 66.17 -24.87 20.25 1 0 20.10 -999 ? CO CO A 491 >GLY.A 181 63.47 -23.30 18.62 63.43 -24.05 18.95 63.45 -23.67 18.79 1 0 16.46 -999 ? CO CO A 491 >GLU.A 182 59.49 -23.19 21.97 58.23 -22.08 23.26 58.86 -22.63 22.62 2 0 16.87 -999 ? CO CO A 491 >GLY^A 183 58.78 -23.57 15.97 59.53 -23.26 16.02 59.15 -23.42 15.99 1 0 13.69 -999 ? CO CO A 491 >TYR^A 184 61.24 -23.76 10.44 62.63 -22.87 8.18 61.93 -23.32 9.31 3 0 13.51 -999 ? CO CO A 491 >VAL^A 185 57.88 -20.46 10.28 57.10 -18.54 10.97 57.49 -19.50 10.62 3 0 8.24 -999 ? CO CO A 491 >PHE^A 186 57.24 -22.77 6.01 58.68 -25.17 6.25 57.96 -23.97 6.13 3 0 13.39 -999 ? CO CO A 491 >TRP.A 187 54.83 -14.21 5.07 57.10 -11.48 3.34 55.96 -12.85 4.20 3 0 6.32 -999 ? CO CO A 492 >GLY.A 188 55.85 -17.24 1.37 55.78 -16.54 1.75 55.82 -16.89 1.56 1 0 10.70 -999 ? CO CO A 491 >GLY.A 189 56.88 -13.67 0.61 56.84 -14.26 0.12 56.86 -13.97 0.36 1 0 9.68 -999 ? CO CO A 492 >ARG.A 190 59.69 -12.04 -3.80 60.32 -9.04 -3.62 60.01 -10.54 -3.71 2 0 13.29 -999 ? CO CO A 492 >GLU.A 191 56.55 -18.84 -1.50 57.85 -20.07 -2.68 57.20 -19.46 -2.09 2 0 15.81 -999 ? CO CO A 491 >GLY.A 192 52.47 -15.82 -5.23 53.20 -15.89 -5.71 52.83 -15.86 -5.47 1 0 15.50 -999 ? CO CO A 492 >TYR.A 193 49.77 -14.27 -9.36 47.04 -13.67 -9.15 48.41 -13.97 -9.26 3 0 19.26 -999 ? CO CO A 492 >GLU.A 194 53.62 -8.23 -10.50 55.38 -7.15 -10.14 54.50 -7.69 -10.32 2 0 18.37 -999 ? CO CO A 492 >THR.A 195 50.51 -11.37 -13.14 51.21 -11.11 -15.17 50.86 -11.24 -14.15 2 0 23.71 -999 ? CO CO A 492 >LEU.A 196 46.99 -14.54 -14.12 45.86 -15.37 -12.49 46.43 -14.95 -13.31 3 0 23.82 -999 ? CO CO A 492 >LEU.A 197 49.99 -12.64 -18.51 48.41 -11.37 -19.31 49.20 -12.00 -18.91 3 0 27.80 -999 ? CO CO A 492 >ASN.A 198 54.35 -14.89 -16.92 54.55 -13.85 -15.05 54.45 -14.37 -15.99 2 0 23.89 -999 ? CO CO A 492 >THR.A 199 51.76 -17.94 -14.23 51.52 -17.18 -12.21 51.64 -17.56 -13.22 2 0 22.42 -999 ? CO CO A 492 >ASP.A 200 51.84 -22.74 -14.90 50.86 -24.65 -14.98 51.35 -23.70 -14.94 2 0 28.59 -999 ? CO CO A 492 >LEU~A 201 47.54 -20.94 -10.99 46.71 -19.94 -9.27 47.13 -20.44 -10.13 3 0 23.13 -999 ? CO CO A 492 >GLY~A 202 48.41 -25.22 -10.86 49.11 -24.83 -10.95 48.76 -25.02 -10.90 1 0 26.17 -999 ? CO CO A 492 >PHE~A 203 54.26 -26.40 -12.63 56.79 -27.58 -12.68 55.52 -26.99 -12.65 3 0 27.75 -999 ? CO CO A 491 >GLU~A 204 53.97 -21.41 -10.08 54.12 -19.29 -9.95 54.05 -20.35 -10.01 2 0 21.22 -999 ? CO CO A 492 >LEU~A 205 49.36 -24.68 -6.22 48.28 -22.92 -5.51 48.82 -23.80 -5.87 3 0 21.42 -999 ? CO CO A 491 >GLU~A 206 50.63 -29.42 -8.66 49.34 -30.06 -7.11 49.98 -29.74 -7.88 2 0 26.21 -999 ? CO CO A 491 >ASN~A 207 56.59 -26.61 -7.30 57.30 -27.55 -9.08 56.94 -27.08 -8.19 2 0 25.29 -999 ? CO CO A 491 >LEU~A 208 53.77 -24.45 -3.21 53.69 -23.04 -1.58 53.73 -23.75 -2.39 3 0 17.77 -999 ? CO CO A 491 >ALA~A 209 53.22 -28.66 -1.82 51.94 -29.30 -2.32 52.58 -28.98 -2.07 2 0 22.13 -999 ? CO CO A 491 >ARG~A 210 56.70 -31.89 -6.51 54.81 -31.45 -8.86 55.75 -31.67 -7.68 2 0 27.72 -999 ? CO CO A 491 >PHE~A 211 59.66 -26.22 -0.82 61.85 -24.81 0.19 60.76 -25.51 -0.32 3 0 18.41 -999 ? CO CO A 491 >LEU~A 212 54.89 -27.85 2.28 54.75 -25.69 2.16 54.82 -26.77 2.22 3 0 17.30 -999 ? CO CO A 491 >ARG~A 213 54.78 -35.41 1.57 53.60 -33.70 -0.76 54.19 -34.56 0.41 2 0 24.88 -999 ? CO CO A 491 >MET~A 214 60.02 -32.47 1.70 61.84 -31.98 -1.93 60.93 -32.22 -0.11 2 0 24.72 -999 ? CO CO A 491 >ALA~A 215 60.51 -30.07 4.59 60.00 -28.65 4.62 60.25 -29.36 4.61 2 0 18.64 -999 ? CO CO A 491 >VAL~A 216 58.29 -32.15 6.91 56.18 -32.25 6.27 57.24 -32.20 6.59 3 0 21.09 -999 ? CO CO A 491 >ASP~A 217 60.16 -35.95 4.50 58.28 -36.67 3.79 59.22 -36.31 4.14 2 0 26.15 -999 ? CO CO A 491 >TYR~A 218 65.65 -32.60 6.29 68.28 -32.31 7.17 66.96 -32.45 6.73 3 0 24.17 -999 ? CO CO A 491 >ALA~A 219 62.24 -32.46 9.94 60.96 -31.67 10.15 61.60 -32.07 10.04 2 0 20.89 -999 ? CO CO A 491 >LYS~A 220 61.54 -36.13 10.79 55.94 -37.72 8.29 58.74 -36.93 9.54 2 0 26.28 -999 ? CO CO A 491 >ILE~A 222 67.09 -33.57 11.54 67.06 -32.40 10.78 67.07 -32.99 11.16 3 0 24.43 -999 ? CO CO A 491 >GLY.A 223 64.33 -35.44 14.98 64.45 -34.77 14.56 64.39 -35.10 14.77 1 0 25.92 -999 ? CO CO A 491 >PHE.A 224 62.59 -29.54 13.96 61.64 -26.97 14.52 62.12 -28.25 14.24 3 0 18.42 -999 ? CO CO A 491 >THR.A 225 60.20 -31.37 17.32 61.20 -32.06 19.10 60.70 -31.72 18.21 2 0 23.04 -999 ? CO CO A 491 >GLY.A 226 59.26 -27.73 16.80 58.97 -28.38 16.38 59.12 -28.06 16.59 1 0 17.84 -999 ? CO CO A 491 >GLN^A 227 53.40 -25.92 15.57 52.64 -27.82 14.97 53.02 -26.87 15.27 2 0 17.15 -999 ? CO CO A 491 >PHE^A 228 56.80 -27.50 10.12 59.21 -28.53 9.16 58.01 -28.02 9.64 3 0 16.70 -999 ? CO CO A 491 >LEU^A 229 54.33 -21.45 12.31 54.07 -21.44 14.44 54.20 -21.45 13.37 3 0 10.43 -999 ? CO CO A 491 >ILE^A 230 51.67 -21.72 7.17 51.32 -22.27 5.98 51.50 -22.00 6.57 3 0 11.82 -999 ? CO CO A 491 >GLU.A 231 53.19 -14.95 8.97 54.85 -13.85 9.70 54.02 -14.40 9.34 2 0 -2.49 -999 ? CO CO A 491s >PRO.A 232 48.19 -17.28 7.34 49.93 -16.22 6.42 49.06 -16.75 6.88 3 0 8.95 -999 ? CO CO A 491 >LYS.A 233 49.69 -12.65 4.00 54.06 -8.16 3.74 51.87 -10.40 3.87 2 0 4.43 -999 ? CO CO A 492 >PRO.A 234 46.89 -9.64 2.51 47.74 -11.56 1.80 47.32 -10.60 2.15 3 0 9.48 -999 ? CO CO A 492 >LYS.A 235 49.95 -9.52 -0.81 45.10 -5.75 -1.23 47.53 -7.64 -1.02 2 0 13.35 -999 ? CO CO A 492 >GLU.A 236 53.99 -5.44 0.72 53.63 -3.47 1.32 53.81 -4.45 1.02 2 0 8.36 -999 ? CO CO A 492 >PRO.A 237 57.15 -9.32 -1.90 55.43 -7.95 -1.61 56.29 -8.64 -1.75 3 0 10.14 -999 ? CO CO A 492 >THR.A 238 53.46 -9.81 -4.63 53.44 -11.89 -3.96 53.45 -10.85 -4.30 2 0 12.70 -999 ? CO CO A 492 >LYS.A 239 50.09 -8.82 -6.18 46.01 -7.16 -9.24 48.05 -7.99 -7.71 2 0 19.30 -999 ? CO CO A 492 >HIS.A 240 46.94 -13.90 -5.05 45.84 -15.39 -4.05 46.39 -14.65 -4.55 3 0 16.27 -999 ? CO CO A 492 >GLN.A 241 51.87 -14.61 -0.22 52.90 -13.65 1.36 52.39 -14.13 0.57 2 0 8.81 -999 ? CO CO A 492 >TYR.A 242 50.28 -18.97 -4.16 50.76 -18.74 -6.90 50.52 -18.85 -5.53 3 0 17.73 -999 ? CO CO A 492 >ASP.A 243 49.74 -18.50 2.64 50.92 -20.20 2.13 50.33 -19.35 2.39 2 0 12.80 -999 ? CO CO A 491 >PHE.A 244 44.32 -14.00 0.20 43.04 -11.52 -0.14 43.68 -12.76 0.03 3 0 14.09 -999 ? CO CO A 492 >ASP.A 245 43.50 -15.11 4.85 41.84 -15.88 3.73 42.67 -15.49 4.29 2 0 15.24 -999 ? CO CO A 492 >VAL~A 246 43.90 -18.74 7.25 43.46 -18.91 9.39 43.68 -18.82 8.32 3 0 13.98 -999 ? CO CO A 491 >ALA~A 247 41.04 -20.20 5.24 39.70 -19.54 4.98 40.37 -19.87 5.11 2 0 18.46 -999 ? CO CO A 491 >THR~A 248 42.95 -20.06 1.94 43.25 -18.49 0.48 43.10 -19.28 1.21 2 0 16.90 -999 ? CO CO A 492 >ALA~A 249 46.16 -21.57 3.36 47.04 -20.94 4.42 46.60 -21.25 3.89 2 0 13.95 -999 ? CO CO A 491 >TYR~A 250 42.32 -25.21 6.64 41.34 -27.72 7.43 41.83 -26.47 7.03 3 0 20.47 -999 ? CO CO A 491 >ALA~A 251 42.34 -25.04 1.91 41.65 -24.02 1.01 41.99 -24.53 1.46 2 0 20.83 -999 ? CO CO A 491 >PHE~A 252 48.09 -25.13 -0.47 50.56 -26.06 -1.37 49.33 -25.60 -0.92 3 0 19.06 -999 ? CO CO A 491 >LEU~A 253 47.28 -27.28 4.60 48.98 -26.18 5.31 48.13 -26.73 4.96 3 0 17.71 -999 ? CO CO A 491 >LYS~A 254 43.90 -29.78 3.62 40.83 -33.24 6.25 42.36 -31.51 4.94 2 0 26.48 -999 ? CO CO A 491 >SER~A 255 43.74 -30.17 -0.17 43.64 -29.36 -2.47 43.69 -29.77 -1.32 2 0 24.95 -999 ? CO CO A 491 >HIS~A 256 48.23 -30.21 -2.04 47.92 -29.20 -3.85 48.08 -29.70 -2.95 3 0 23.71 -999 ? CO CO A 491 >GLY.A 257 47.20 -33.65 3.01 47.59 -32.99 2.90 47.40 -33.32 2.96 1 0 24.73 -999 ? CO CO A 491 >LEU.A 258 50.49 -30.32 3.94 51.70 -31.06 2.29 51.10 -30.69 3.12 3 0 20.95 -999 ? CO CO A 491 >ASP~A 259 45.81 -29.66 7.18 44.75 -31.48 7.12 45.28 -30.57 7.15 2 0 22.86 -999 ? CO CO A 491 >GLU~A 260 48.01 -34.56 11.38 48.01 -36.67 11.11 48.01 -35.61 11.24 2 0 26.22 -999 ? CO CO A 491 >TYR~A 261 52.66 -32.79 8.94 52.71 -35.53 8.39 52.68 -34.16 8.66 3 0 22.86 -999 ? CO CO A 491 >PHE^A 262 52.06 -26.87 8.09 54.28 -27.42 6.49 53.17 -27.15 7.29 3 0 16.08 -999 ? CO CO A 491 >LYS^A 263 49.55 -24.38 12.47 48.62 -26.50 18.32 49.08 -25.44 15.39 2 0 18.25 -999 ? CO CO A 491 >PHE^A 264 47.28 -21.02 10.25 46.05 -22.77 8.44 46.67 -21.90 9.35 3 0 13.61 -999 ? CO CO A 491 >ASN^A 265 52.86 -17.58 12.57 53.81 -15.91 13.47 53.34 -16.74 13.02 2 0 5.59 -999 ? CO CO A 491 >ILE^A 266 47.36 -14.95 13.17 46.77 -15.59 13.06 47.06 -15.27 13.12 3 0 9.55 -999 ? CO CO A 491 >GLU^A 267 51.54 -9.53 11.15 53.42 -9.38 10.23 52.48 -9.46 10.69 2 0 2.50 -999 ? CO CO A 492s >ALA~A 268 47.54 -8.34 12.80 47.70 -7.31 13.92 47.62 -7.83 13.36 2 0 8.77 -999 ? CO CO A 492 >ASN~A 269 49.94 -5.54 9.60 49.74 -3.74 8.45 49.84 -4.64 9.03 2 0 6.37 -999 ? CO CO A 492 >HIS~A 270 50.54 -10.41 7.49 52.64 -10.40 7.35 51.59 -10.41 7.42 3 0 -3.52 -999 ? CO CO A 492s >ALA~A 271 44.79 -9.98 8.64 44.42 -10.14 10.11 44.60 -10.06 9.38 2 0 10.21 -999 ? CO CO A 492 >THR~A 272 43.58 -6.44 7.98 44.43 -5.24 9.55 44.01 -5.84 8.77 2 0 10.36 -999 ? CO CO A 492 >LEU~A 273 46.81 -6.39 4.42 48.16 -4.82 3.79 47.49 -5.61 4.11 3 0 8.32 -999 ? CO CO A 492 >ALA.A 274 43.27 -9.22 3.47 43.55 -10.63 3.95 43.41 -9.92 3.71 2 0 11.74 -999 ? CO CO A 492 >GLY.A 275 40.11 -7.40 4.52 40.47 -7.92 5.01 40.29 -7.66 4.77 1 0 14.63 -999 ? CO CO A 492 >HIS.A 276 39.96 -11.55 6.77 39.36 -12.69 5.12 39.66 -12.12 5.95 3 0 15.26 -999 ? CO CO A 492 >THR.A 277 39.94 -8.11 11.43 37.95 -8.06 12.30 38.94 -8.09 11.87 2 0 16.82 -999 ? CO CO A 492 >PHE~A 278 44.70 -9.32 15.24 46.92 -10.54 16.42 45.81 -9.93 15.83 3 0 11.15 -999 ? CO CO A 491 >GLN~A 279 38.20 -11.60 17.45 36.59 -10.72 18.57 37.39 -11.16 18.01 2 0 20.55 -999 ? CO CO A 491 >HIS~A 280 37.63 -13.14 10.40 36.89 -14.55 9.03 37.26 -13.84 9.72 3 0 17.96 -999 ? CO CO A 492 >GLU~A 281 43.57 -14.31 9.96 42.42 -14.79 8.22 42.99 -14.55 9.09 2 0 13.53 -999 ? CO CO A 492 >LEU~A 282 42.66 -14.74 16.39 44.60 -13.79 16.64 43.63 -14.26 16.52 3 0 13.56 -999 ? CO CO A 491 >ARG~A 283 36.14 -16.80 17.46 34.27 -14.71 18.70 35.21 -15.76 18.08 2 0 22.94 -999 ? CO CO A 491 >MET~A 284 39.31 -19.08 12.33 37.16 -19.11 9.81 38.23 -19.10 11.07 2 0 19.78 -999 ? CO CO A 491 >ALA~A 285 42.73 -20.42 13.28 43.93 -19.54 13.66 43.33 -19.98 13.47 2 0 14.39 -999 ? CO CO A 491 >ARG~A 286 40.05 -19.85 19.98 37.09 -19.12 20.18 38.57 -19.48 20.08 2 0 22.12 -999 ? CO CO A 491 >ILE~A 287 36.85 -22.87 14.95 36.00 -21.93 14.36 36.43 -22.40 14.66 3 0 22.30 -999 ? CO CO A 491 >LEU.A 288 41.24 -24.46 11.87 40.22 -24.06 10.04 40.73 -24.26 10.95 3 0 19.45 -999 ? CO CO A 491 >GLY.A 289 42.71 -25.93 16.02 42.95 -25.48 15.38 42.83 -25.71 15.70 1 0 20.02 -999 ? CO CO A 491 >LYS.A 290 45.70 -24.20 14.45 45.74 -28.74 10.92 45.72 -26.47 12.69 2 0 19.76 -999 ? CO CO A 491 >LEU^A 291 45.20 -20.43 17.49 45.29 -18.35 18.13 45.25 -19.39 17.81 3 0 14.84 -999 ? CO CO A 491 >GLY^A 292 49.91 -21.49 16.60 49.60 -20.80 16.77 49.75 -21.14 16.68 1 0 12.96 -999 ? CO CO A 491 >SER^A 293 51.58 -18.17 17.36 53.86 -17.50 17.87 52.72 -17.84 17.62 2 0 9.69 -999 ? CO CO A 491 >ILE^A 294 50.17 -13.76 17.93 48.87 -13.20 18.33 49.52 -13.48 18.13 3 0 9.92 -999 ? CO CO A 491 >ASP^A 295 53.55 -11.54 13.85 55.16 -12.81 13.34 54.35 -12.17 13.59 2 0 -3.21 -999 ? CO CO A 491s >ALA.A 296 52.11 -8.71 17.45 52.29 -8.72 18.96 52.20 -8.72 18.20 2 0 9.54 -999 ? CO CO A 491 >ASN.A 297 52.77 -5.44 14.11 51.95 -6.51 12.46 52.36 -5.98 13.29 2 0 5.16 -999 ? CO CO A 492 >GLN.A 298 48.05 -1.00 15.17 47.91 0.35 16.80 47.98 -0.32 15.99 2 0 13.73 -999 ? CO CO A 492 >GLY.A 299 48.56 -1.79 10.78 48.12 -1.53 11.43 48.34 -1.66 11.11 1 0 8.98 -999 ? CO CO A 492 >ASP.A 300 47.77 2.65 9.20 46.67 4.48 9.16 47.22 3.57 9.18 2 0 14.83 -999 ? CO CO A 492 >LEU.A 301 42.24 0.43 9.04 42.11 -1.13 10.55 42.17 -0.35 9.79 3 0 14.51 -999 ? CO CO A 492 >LEU.A 302 43.25 5.16 6.57 41.24 5.86 7.07 42.25 5.51 6.82 3 0 16.46 -999 ? CO CO D 492 >LEU.A 303 48.09 2.95 5.05 48.74 4.89 5.67 48.42 3.92 5.36 3 0 13.77 -999 ? CO CO A 492 >GLY.A 304 47.09 -0.14 1.79 47.73 0.09 2.14 47.41 -0.02 1.96 1 0 12.55 -999 ? CO CO A 492 >TRP.A 305 52.92 0.78 3.94 51.18 4.04 2.50 52.05 2.41 3.22 3 0 11.94 -999 ? CO CO A 492 >ASP.A 306 52.96 -4.27 6.28 53.17 -5.71 4.81 53.07 -4.99 5.54 2 0 4.34 -999 ? CO CO A 492 >THR.A 307 52.88 -0.25 8.34 51.08 0.83 8.70 51.98 0.29 8.52 2 0 9.61 -999 ? CO CO A 492 >ASP.A 308 55.44 -3.35 10.40 55.20 -5.26 9.50 55.32 -4.30 9.95 2 0 3.39 -999 ? CO CO A 492 >GLN.A 309 52.51 1.59 12.77 50.77 2.81 12.64 51.64 2.20 12.70 2 0 12.41 -999 ? CO CO A 492 >PHE.A 310 56.23 -1.09 18.49 58.84 -1.98 18.08 57.54 -1.54 18.28 3 0 12.57 -999 ? CO CO A 492 >PRO.A 311 51.55 -4.16 19.79 51.12 -2.22 18.79 51.34 -3.19 19.29 3 0 12.56 -999 ? CO CO A 492 >THR.A 312 49.01 0.61 21.13 50.20 2.21 20.27 49.60 1.41 20.70 2 0 16.49 -999 ? CO CO A 492 >ASN.A 313 44.76 -0.22 19.51 42.67 0.02 19.31 43.72 -0.10 19.41 2 0 18.07 -999 ? CO CO A 492 >VAL~A 314 43.55 -1.89 23.88 43.46 -0.56 25.65 43.50 -1.22 24.76 3 0 20.98 -999 ? CO CO A 492 >TYR~A 315 38.81 -0.92 21.65 37.31 1.07 22.91 38.06 0.08 22.28 3 0 21.65 -999 ? CO CO D 492 >ASP~A 316 43.70 -4.38 18.50 42.86 -3.16 16.99 43.28 -3.77 17.74 2 0 15.28 -999 ? CO CO A 492 >THR~A 317 44.82 -6.49 22.18 46.01 -4.92 23.02 45.42 -5.71 22.60 2 0 17.08 -999 ? CO CO A 491 >THR~A 318 41.72 -7.41 24.17 40.39 -6.42 25.51 41.06 -6.91 24.84 2 0 21.92 -999 ? CO CO A 491 >LEU~A 319 39.20 -8.57 20.14 37.53 -7.34 20.85 38.36 -7.95 20.49 3 0 20.11 -999 ? CO CO A 492 >ALA~A 320 43.16 -10.85 20.23 44.45 -10.12 19.89 43.81 -10.48 20.06 2 0 14.58 -999 ? CO CO A 491 >MET~A 321 44.03 -12.11 23.69 47.07 -11.97 23.92 45.55 -12.04 23.80 2 0 15.90 -999 ? CO CO A 491 >TYR~A 322 37.92 -13.12 24.02 35.54 -14.52 24.40 36.73 -13.82 24.21 3 0 23.35 -999 ? CO CO A 491 >GLU~A 323 40.26 -14.31 19.33 38.25 -15.00 19.31 39.25 -14.65 19.32 2 0 19.66 -999 ? CO CO A 491 >VAL~A 324 44.26 -16.96 22.81 46.30 -16.14 22.73 45.28 -16.55 22.77 3 0 16.77 -999 ? CO CO A 491 >ILE~A 325 42.23 -16.41 27.19 42.20 -15.61 28.38 42.21 -16.01 27.79 3 0 22.29 -999 ? CO CO A 491 >LYS~A 326 39.86 -19.36 24.71 34.81 -19.54 25.62 37.33 -19.45 25.16 2 0 26.85 -999 ? CO CO A 491 >ALA~A 327 42.30 -21.48 22.66 43.24 -20.92 21.60 42.77 -21.20 22.13 2 0 19.03 -999 ? CO CO A 491 >GLY.A 328 43.97 -22.40 25.92 44.30 -21.76 25.53 44.14 -22.08 25.72 1 0 22.15 -999 ? CO CO A 491 >GLY.A 329 46.88 -19.99 25.88 46.74 -20.60 25.31 46.81 -20.29 25.59 1 0 19.60 -999 ? CO CO A 491 >PHE.A 330 50.84 -18.17 23.34 50.12 -15.71 22.18 50.48 -16.94 22.76 3 0 14.38 -999 ? CO CO A 491 >THR.A 331 51.93 -23.84 23.66 51.07 -25.76 23.28 51.50 -24.80 23.47 2 0 19.68 -999 ? CO CO A 491 >LYS.A 332 54.83 -23.54 21.24 57.49 -28.31 21.52 56.16 -25.92 21.38 2 0 20.24 -999 ? CO CO A 491 >GLY.A 333 54.28 -19.90 20.32 54.27 -19.95 21.16 54.28 -19.93 20.74 1 0 13.03 -999 ? CO CO A 491 >GLY.A 334 53.97 -16.37 21.64 53.92 -16.30 20.82 53.94 -16.33 21.23 1 0 12.33 -999 ? CO CO A 491 >LEU.A 335 53.12 -11.72 21.96 51.00 -11.68 22.37 52.06 -11.70 22.16 3 0 12.24 -999 ? CO CO A 491 >ASN.A 336 57.12 -12.87 17.46 58.81 -12.05 16.44 57.97 -12.46 16.95 2 0 6.94 -999 ? CO CO A 491 >PHE.A 337 56.63 -6.94 20.23 54.89 -6.51 22.38 55.76 -6.73 21.30 3 0 11.92 -999 ? CO CO A 491 >ASP.A 338 56.38 -9.25 13.41 57.05 -9.19 11.42 56.71 -9.22 12.42 2 0 -3.03 -999 ? CO CO A 491s >ALA.A 339 56.85 -4.42 14.43 55.99 -3.94 15.61 56.42 -4.18 15.02 2 0 8.77 -999 ? CO CO A 492 >LYS.A 340 59.25 -1.52 13.83 58.90 -0.72 7.57 59.08 -1.12 10.70 2 0 8.86 -999 ? CO CO A 492 >VAL.A 341 59.75 2.10 14.92 61.73 2.26 15.84 60.74 2.18 15.38 3 0 14.23 -999 ? CO CO A 492 >ARG.A 342 55.41 4.85 12.67 55.53 2.17 11.17 55.47 3.51 11.92 2 0 10.90 -999 ? CO CO A 492 >ARG.A 343 62.05 7.03 6.77 63.65 9.26 5.42 62.85 8.15 6.09 2 0 20.05 -999 ? CO CO A 492 >ALA.A 344 61.33 9.49 12.51 60.24 10.55 12.39 60.79 10.02 12.44 2 0 20.16 -999 ? CO CO A 492 >SER.A 345 61.55 7.57 15.80 59.21 7.32 16.30 60.38 7.44 16.05 2 0 18.23 -999 ? CO CO A 492 >TYR.A 346 66.38 9.18 14.24 67.44 11.63 15.09 66.91 10.41 14.67 3 0 23.11 -999 ? CO CO A 493 >LYS.A 347 66.84 7.25 18.35 68.45 13.10 19.43 67.64 10.18 18.89 2 0 22.56 -999 ? CO CO A 493 >VAL~A 348 67.91 4.16 20.31 69.87 3.29 20.73 68.89 3.72 20.52 3 0 15.40 -999 ? CO CO A 493 >GLU~A 349 65.87 7.55 23.18 68.02 7.93 22.66 66.94 7.74 22.92 2 0 18.32 -999 ? CO CO A 493 >ASP~A 350 62.49 5.54 19.42 62.49 7.64 19.67 62.49 6.59 19.55 2 0 21.26 -999 ? CO CO A 492 >LEU~A 351 64.74 0.47 19.96 65.39 -0.64 18.26 65.06 -0.08 19.11 3 0 17.32 -999 ? CO CO A 491 >PHE~A 352 65.10 0.33 24.99 67.39 -1.27 24.94 66.25 -0.47 24.96 3 0 15.29 -999 ? CO CO A 493 >ILE~A 353 59.90 4.46 23.74 59.67 5.86 24.03 59.78 5.16 23.88 3 0 21.37 -999 ? CO CO A 492 >GLY~A 354 58.20 1.21 21.19 58.48 0.90 21.90 58.34 1.06 21.54 1 0 16.56 -999 ? CO CO A 492 >HIS~A 355 60.44 -3.64 21.59 61.25 -4.36 19.80 60.84 -4.00 20.70 3 0 13.86 -999 ? CO CO A 491 >ILE~A 356 58.11 -0.02 27.00 58.71 0.46 28.22 58.41 0.22 27.61 3 0 21.05 -999 ? CO CO A 491 >ALA~A 357 54.30 0.40 24.65 54.28 1.44 23.57 54.29 0.92 24.11 2 0 18.19 -999 ? CO CO A 492 >GLY~A 358 53.47 -2.83 22.85 53.67 -2.73 23.64 53.57 -2.78 23.24 1 0 15.31 -999 ? CO CO A 491 >MET~A 359 54.06 -4.93 25.94 58.11 -5.43 26.07 56.09 -5.18 26.00 2 0 17.03 -999 ? CO CO A 491 >ASP~A 360 52.11 -1.17 28.35 53.34 -0.71 30.02 52.72 -0.94 29.18 2 0 22.50 -999 ? CO CO A 491 >THR~A 361 49.03 -2.66 25.64 48.65 -1.41 23.94 48.84 -2.04 24.79 2 0 18.07 -999 ? CO CO A 492 >PHE~A 362 49.73 -7.61 23.08 48.85 -8.23 20.49 49.29 -7.92 21.79 3 0 13.43 -999 ? CO CO A 491 >ALA~A 363 49.46 -6.95 29.00 50.55 -6.38 29.91 50.01 -6.66 29.45 2 0 20.76 -999 ? CO CO A 491 >LEU~A 364 46.40 -3.25 29.49 44.94 -1.89 30.33 45.67 -2.57 29.91 3 0 23.58 -999 ? CO CO A 491 >GLY~A 365 44.47 -6.35 26.96 44.87 -6.70 27.60 44.67 -6.52 27.28 1 0 20.52 -999 ? CO CO A 491 >PHE~A 366 46.72 -11.58 29.44 46.57 -13.94 30.97 46.64 -12.76 30.21 3 0 21.70 -999 ? CO CO A 491 >LYS~A 367 43.91 -8.68 31.69 47.39 -6.83 36.36 45.65 -7.75 34.02 2 0 27.58 -999 ? CO CO A 491 >VAL~A 368 40.67 -7.29 30.18 40.08 -5.42 29.22 40.38 -6.36 29.70 3 0 25.01 -999 ? CO CO A 491 >ALA~A 369 40.19 -10.50 28.19 41.11 -10.99 27.08 40.65 -10.74 27.64 2 0 21.99 -999 ? CO CO A 491 >TYR~A 370 42.30 -13.43 33.23 42.47 -15.50 35.09 42.38 -14.46 34.16 3 0 27.26 -999 ? CO CO A 491 >LYS~A 371 37.98 -10.89 33.10 38.92 -7.01 36.40 38.45 -8.95 34.75 2 0 31.12 -999 ? CO CO A 491 >LEU~A 372 35.99 -10.78 28.66 35.43 -8.97 27.65 35.71 -9.87 28.15 3 0 26.58 -999 ? CO CO A 491 >VAL~A 373 36.48 -14.90 30.00 37.93 -16.05 28.85 37.21 -15.48 29.42 3 0 26.63 -999 ? CO CO A 491 >LYS~A 374 36.21 -15.42 33.76 38.97 -14.84 39.38 37.59 -15.13 36.57 2 0 33.50 -999 ? CO CO A 491 >ASP~A 375 32.64 -12.14 34.24 33.58 -11.08 35.82 33.11 -11.61 35.03 2 0 33.52 -999 ? CO CO A 491 >GLY.A 376 31.86 -15.53 31.17 31.66 -14.77 31.39 31.76 -15.15 31.28 1 0 31.67 -999 ? CO CO A 491 >VAL~A 377 29.78 -12.49 30.19 30.18 -10.36 29.90 29.98 -11.42 30.05 3 0 31.53 -999 ? CO CO D 492 >LEU~A 378 31.20 -12.82 25.52 31.86 -10.92 24.68 31.53 -11.87 25.10 3 0 28.06 -999 ? CO CO A 491 >ASP~A 379 30.64 -17.81 27.41 32.62 -17.81 26.62 31.63 -17.81 27.02 2 0 28.68 -999 ? CO CO A 491 >LYS~A 380 26.38 -16.59 28.49 28.29 -15.91 34.34 27.33 -16.25 31.42 2 0 36.45 -999 ? CO CO A 491 >PHE~A 381 24.59 -12.32 24.30 23.14 -11.48 22.06 23.86 -11.90 23.18 3 0 27.08 -999 ? CO CO D 492 >ILE~A 382 27.34 -16.94 22.75 28.39 -17.01 21.76 27.87 -16.98 22.25 3 0 30.49 -999 ? CO CO A 491 >GLU~A 383 24.17 -21.10 27.20 24.81 -21.42 29.19 24.49 -21.26 28.20 2 0 37.26 -999 ? CO CO A 491 >LYS~A 385 21.23 -16.75 21.79 24.31 -14.55 16.73 22.77 -15.65 19.26 2 0 26.11 -999 ? CO CO D 492 >TYR.A 386 23.64 -19.88 18.96 25.21 -18.17 17.41 24.43 -19.03 18.19 3 0 30.79 -999 ? CO CO D 492 >ARG~A 387 17.13 -20.45 25.86 15.23 -19.83 28.18 16.18 -20.14 27.02 2 0 33.03 -999 ? CO CO D 493 >SER~A 388 16.60 -23.25 20.56 16.63 -22.06 18.43 16.62 -22.65 19.49 2 0 35.01 -999 ? CO CO D 492 >PHE~A 389 20.15 -24.69 17.16 19.49 -23.40 14.76 19.82 -24.05 15.96 3 0 35.38 -999 ? CO CO D 492 >GLU.A 391 14.97 -25.98 24.85 13.78 -24.34 25.52 14.38 -25.16 25.19 2 0 36.22 -999 ? CO CO D 493 >GLY~A 392 12.80 -29.34 20.63 13.51 -29.35 20.56 13.16 -29.35 20.59 1 0 40.64 -999 ? CO CO D 493 >ILE~A 393 12.35 -29.10 15.79 12.33 -29.31 14.99 12.34 -29.20 15.39 3 0 41.12 -999 ? CO CO D 493 >GLY~A 394 16.50 -27.73 17.29 16.32 -28.53 17.43 16.41 -28.13 17.36 1 0 39.91 -999 ? CO CO D 492 >ASP~A 396 15.18 -33.14 16.00 13.95 -34.17 17.39 14.56 -33.66 16.69 2 0 45.92 -999 ? CO CO D 493 >ILE~A 397 18.17 -29.48 13.55 17.82 -28.33 12.79 17.99 -28.90 13.17 3 0 39.81 -999 ? CO CO D 492 >VAL~A 398 21.80 -30.99 15.43 22.71 -29.68 16.91 22.26 -30.34 16.17 3 0 38.56 -999 ? CO CO A 491 >GLY.A 400 20.61 -35.50 12.74 20.08 -35.66 13.32 20.35 -35.58 13.03 1 0 42.33 -999 ? CO CO A 491 >VAL.A 402 15.62 -34.44 10.94 14.66 -32.59 11.59 15.14 -33.51 11.26 3 0 44.66 -999 ? CO CO D 492 >ASP.A 403 15.36 -35.39 6.34 13.38 -36.24 6.48 14.37 -35.81 6.41 2 0 47.52 -999 ? CO CO D 492 >PHE~A 404 15.41 -30.38 3.03 17.52 -28.60 2.61 16.47 -29.49 2.82 3 0 40.40 -999 ? CO CO D 492 >GLU~A 405 10.94 -35.00 2.62 10.90 -36.97 1.81 10.92 -35.98 2.21 2 0 49.20 -999 ? CO CO D 492 >LEU~A 407 12.65 -29.40 8.16 14.30 -29.13 9.51 13.47 -29.26 8.83 3 0 40.88 -999 ? CO CO D 492 >GLU~A 408 7.33 -29.00 3.81 7.39 -29.44 1.74 7.36 -29.22 2.77 2 0 43.58 -999 ? CO CO D 492 >TYR~A 410 8.72 -28.21 13.09 9.05 -26.35 15.17 8.88 -27.28 14.13 3 0 38.66 -999 ? CO CO D 493 >ILE~A 411 8.53 -25.14 9.29 8.33 -23.79 8.81 8.43 -24.46 9.05 3 0 37.61 -999 ? CO CO D 493 >ASP.A 413 0.67 -24.72 9.48 -0.37 -25.74 7.92 0.15 -25.23 8.70 2 0 38.21 -999 ? CO CO D 493 >THR.A 416 5.07 -16.09 13.17 4.43 -14.14 13.80 4.75 -15.12 13.49 2 0 25.66 -999 ? CO CO D 493 >ILE.A 417 9.60 -17.40 13.13 10.34 -18.43 12.42 9.97 -17.91 12.78 3 0 30.86 -999 ? CO CO D 493 >LEU.A 419 14.04 -13.19 15.61 14.57 -14.33 13.86 14.30 -13.76 14.73 3 0 27.36 -999 ? CO CO D 492 >PRO.A 420 16.94 -14.71 19.52 15.86 -12.81 19.03 16.40 -13.76 19.27 3 0 28.20 -999 ? CO CO D 492 >SER.A 421 17.78 -8.99 19.17 18.42 -6.72 19.75 18.10 -7.86 19.46 2 0 22.22 -999 ? CO CO D 492 >GLY.A 422 21.44 -9.13 18.16 21.16 -8.64 18.78 21.30 -8.88 18.47 1 0 22.37 -999 ? CO CO D 492 >LYS.A 423 22.43 -6.72 20.93 18.32 -5.42 23.88 20.38 -6.07 22.40 2 0 23.55 -999 ? CO CO D 493 >GLN~A 424 27.28 -5.03 17.33 27.64 -4.83 15.25 27.46 -4.93 16.29 2 0 16.71 -999 ? CO CO D 492 >GLU~A 425 24.14 -0.45 18.95 23.08 -1.73 17.62 23.61 -1.09 18.28 2 0 15.95 -999 ? CO CO D 492 >TYR~A 426 23.99 -5.07 25.82 24.37 -6.02 28.41 24.18 -5.54 27.11 3 0 25.40 -999 ? CO CO D 492 >LEU~A 427 28.07 -7.19 22.66 26.54 -8.65 23.07 27.30 -7.92 22.87 3 0 23.74 -999 ? CO CO D 492 >GLU~A 428 30.27 -3.32 20.01 30.13 -2.18 18.23 30.20 -2.75 19.12 2 0 16.82 -999 ? CO CO D 492 >SER~A 429 29.38 -1.07 25.51 27.11 -1.57 26.27 28.25 -1.32 25.89 2 0 22.45 -999 ? CO CO D 492 >LEU~A 430 29.74 -5.56 27.43 28.29 -6.45 28.77 29.02 -6.00 28.10 3 0 26.52 -999 ? CO CO D 492 >ILE~A 431 34.27 -4.36 24.77 34.39 -5.11 24.34 34.33 -4.74 24.56 3 0 24.17 -999 ? CO CO D 492 >ASN~A 432 33.22 0.53 26.96 33.93 1.25 25.09 33.58 0.89 26.02 2 0 21.51 -999 ? CO CO D 492 >SER~A 433 32.79 -1.53 30.90 30.45 -1.10 31.01 31.62 -1.32 30.95 2 0 26.79 -999 ? CO CO D 492 >TYR~A 434 34.36 -6.59 31.27 32.55 -8.26 32.59 33.45 -7.42 31.93 3 0 31.04 -999 ? CO CO A 491 >ILE~A 435 38.23 -1.14 28.90 38.92 -0.81 27.67 38.57 -0.98 28.28 3 0 26.51 -999 ? CO CO A 492 >VAL~A 436 37.01 0.38 32.97 35.63 2.08 33.08 36.32 1.23 33.03 3 0 29.31 -999 ? CO CO D 492 >LYS~A 437 36.56 -2.48 35.49 31.91 -6.72 35.40 34.23 -4.60 35.44 2 0 33.39 -999 ? CO CO D 492 >THR~A 438 40.05 -3.87 34.89 40.64 -5.32 33.42 40.34 -4.60 34.15 2 0 28.06 -999 ? CO CO A 491 >ILE~A 439 41.42 0.75 34.17 41.82 1.82 33.29 41.62 1.29 33.73 3 0 29.99 -999 ? CO CO A 491 >LEU~A 440 38.75 0.11 38.85 37.55 1.88 38.49 38.15 0.99 38.67 3 0 35.09 -999 ? CO CO D 492 >GLU~A 441 39.77 -4.73 39.67 38.97 -6.64 39.23 39.37 -5.68 39.45 2 0 33.56 -999 ? CO CO A 491 >LEU.A 442 45.33 -1.44 36.98 45.21 -2.48 35.08 45.27 -1.96 36.03 3 0 29.18 -999 ? CO CO A 491 >ALA.D 1 5.08 6.47 28.93 5.17 5.74 30.30 5.12 6.11 29.61 2 0 9.05 -999 ? CO CO D 493 >GLU.D 2 0.85 7.93 26.33 -1.15 7.51 26.08 -0.15 7.72 26.21 2 0 -2.81 -999 ? CO CO D 493s >PHE.D 3 4.63 6.60 21.46 2.91 7.87 19.66 3.77 7.23 20.56 3 0 5.52 -999 ? CO CO D 493 >PHE.D 4 9.30 4.41 23.66 9.63 5.63 21.15 9.46 5.02 22.41 3 0 10.63 -999 ? CO CO D 493 >PRO.D 5 4.63 0.75 27.07 6.05 2.33 27.75 5.34 1.54 27.41 3 0 10.00 -999 ? CO CO D 493 >GLU.D 6 9.33 -1.54 27.12 7.91 -0.94 25.66 8.62 -1.24 26.39 2 0 13.01 -999 ? CO CO D 493 >ILE.D 7 12.02 2.77 27.88 12.53 2.25 27.39 12.27 2.51 27.64 3 0 14.64 -999 ? CO CO D 493 >PRO.D 8 13.47 3.10 32.98 11.88 4.06 31.75 12.68 3.58 32.36 3 0 16.43 -999 ? CO CO D 493 >LYS.D 9 13.55 8.00 32.10 14.15 14.22 32.41 13.85 11.11 32.25 2 0 17.58 -999 ? CO CO D 493 >VAL.D 10 17.28 7.26 32.05 18.44 6.12 30.60 17.86 6.69 31.33 3 0 19.77 -999 ? CO CO D 493 >GLN.D 11 17.41 8.39 36.36 16.63 8.15 38.33 17.02 8.27 37.34 2 0 22.29 -999 ? CO CO D 493 >PHE.D 12 25.48 9.33 36.31 28.20 8.92 36.72 26.84 9.13 36.52 3 0 28.44 -999 ? CO CO D 491 >GLU.D 13 22.21 3.73 37.56 21.42 1.77 37.34 21.81 2.75 37.45 2 0 26.56 -999 ? CO CO D 493 >GLY.D 14 28.15 5.52 37.55 27.84 5.02 37.05 28.00 5.27 37.30 1 0 30.27 -999 ? CO CO D 491 >LYS.D 15 31.21 3.72 36.20 36.23 4.88 40.05 33.72 4.30 38.12 2 0 34.54 -999 ? CO CO D 491 >GLU.D 16 32.48 0.05 39.37 33.05 -0.04 41.38 32.76 0.01 40.37 2 0 36.38 -999 ? CO CO D 491 >SER.D 17 26.84 0.27 36.78 24.66 0.99 36.12 25.75 0.63 36.45 2 0 28.93 -999 ? CO CO D 493 >THR.D 18 25.62 -2.95 35.23 24.92 -4.52 36.58 25.27 -3.73 35.90 2 0 31.31 -999 ? CO CO D 493 >ASN.D 19 21.15 -1.21 34.89 19.44 -0.52 33.84 20.30 -0.86 34.37 2 0 24.08 -999 ? CO CO D 493 >PRO.D 20 20.69 -3.35 30.17 21.99 -1.66 30.84 21.34 -2.51 30.51 3 0 25.39 -999 ? CO CO D 493 >LEU.D 21 17.96 1.04 30.71 16.69 0.20 29.18 17.33 0.62 29.94 3 0 20.44 -999 ? CO CO D 493 >ALA.D 22 21.76 3.52 32.65 22.11 2.87 33.97 21.93 3.19 33.31 2 0 25.33 -999 ? CO CO D 493 >PHE.D 23 23.31 8.15 30.91 21.52 9.25 29.04 22.42 8.70 29.97 3 0 22.17 -999 ? CO CO D 491 >LYS.D 24 27.84 4.94 33.10 24.96 0.65 31.01 26.40 2.79 32.05 2 0 25.82 -999 ? CO CO D 491 >PHE.D 25 31.47 6.41 30.94 32.36 3.76 30.87 31.92 5.09 30.91 3 0 24.84 -999 ? CO CO D 491 >TYR.D 26 25.85 11.78 29.37 24.63 14.19 28.69 25.24 12.99 29.03 3 0 20.62 -999 ? CO CO D 491 >ASP.D 27 26.86 12.86 35.21 25.75 13.74 36.80 26.30 13.30 36.01 2 0 28.41 -999 ? CO CO D 491 >PRO.D 28 22.33 13.57 31.90 24.15 14.72 32.51 23.24 14.15 32.20 3 0 23.88 -999 ? CO CO D 491 >GLU.D 29 21.99 18.35 36.69 20.77 18.64 34.97 21.38 18.50 35.83 2 0 25.70 -999 ? CO CO D 493 >GLU.D 30 30.04 16.56 36.24 31.25 14.83 36.14 30.65 15.70 36.19 2 0 28.45 -999 ? CO CO D 491 >ILE.D 31 28.58 22.22 36.68 28.63 23.14 37.83 28.60 22.68 37.26 3 0 30.59 -999 ? CO CO D 491 >ILE.D 32 32.87 20.54 33.08 33.71 19.42 32.60 33.29 19.98 32.84 3 0 26.66 -999 ? CO CO D 491 >ASP.D 33 34.37 25.30 32.63 36.25 24.34 32.50 35.31 24.82 32.57 2 0 28.81 -999 ? CO CO D 491 >GLY.D 34 30.36 26.49 35.17 30.41 25.93 34.62 30.39 26.21 34.90 1 0 30.37 -999 ? CO CO D 491 >LYS.D 35 28.34 24.55 32.58 29.67 26.60 26.72 29.01 25.57 29.65 2 0 23.19 -999 ? CO CO D 491 >PRO.D 36 24.39 22.52 32.74 26.60 22.02 32.98 25.50 22.27 32.86 3 0 26.10 -999 ? CO CO D 491 >LEU~D 37 28.24 17.06 31.49 29.88 15.90 30.72 29.06 16.48 31.11 3 0 23.28 -999 ? CO CO D 491 >LYS~D 38 24.88 18.55 28.79 19.64 21.31 30.79 22.26 19.93 29.79 2 0 24.43 -999 ? CO CO D 493 >ASP~D 39 25.63 23.29 28.41 23.59 23.70 28.90 24.61 23.49 28.65 2 0 23.10 -999 ? CO CO D 491 >HIS~D 40 30.81 21.17 28.48 31.56 22.50 29.92 31.18 21.84 29.20 3 0 23.35 -999 ? CO CO D 491 >LEU~D 41 27.88 16.62 25.18 29.65 15.64 25.97 28.76 16.13 25.57 3 0 17.80 -999 ? CO CO D 491 >LYS.D 42 24.71 19.18 23.13 24.45 24.63 20.85 24.58 21.90 21.99 2 0 16.95 -999 ? CO CO D 491 >PHE.D 43 24.76 13.91 23.62 27.12 12.71 24.51 25.94 13.31 24.06 3 0 15.67 -999 ? CO CO D 491 >SER.D 44 20.87 15.55 19.53 20.22 16.51 17.41 20.54 16.03 18.47 2 0 10.78 -999 ? CO CO D 491 >VAL.D 45 18.69 12.87 17.90 17.01 12.36 19.21 17.85 12.61 18.56 3 0 12.48 -999 ? CO CO D 491 >ALA.D 46 18.41 12.37 14.16 19.49 11.65 13.38 18.95 12.01 13.77 2 0 7.64 -999 ? CO CO D 491 >PHE~D 47 12.37 12.92 12.77 9.64 12.34 12.88 11.01 12.63 12.83 3 0 14.78 -999 ? CO CO D 491 >TRP~D 48 18.95 10.17 9.17 19.40 13.90 10.37 19.17 12.03 9.77 3 0 6.18 -999 ? CO CO D 491 >HIS~D 49 19.89 7.20 10.99 21.21 7.01 9.37 20.55 7.11 10.18 3 0 7.09 -999 ? CO CO D 492 >THR~D 50 15.51 6.88 14.88 16.18 7.66 16.78 15.85 7.27 15.83 2 0 13.41 -999 ? CO CO D 491 >PHE.D 51 11.55 9.14 15.73 12.36 9.66 18.36 11.96 9.40 17.05 3 0 14.02 -999 ? CO CO D 493 >VAL.D 52 11.63 6.90 10.15 11.40 8.44 8.60 11.51 7.67 9.37 3 0 14.68 -999 ? CO CO D 491 >ASN.D 53 15.77 4.41 9.84 16.96 2.65 9.65 16.36 3.53 9.74 2 0 11.92 -999 ? CO CO D 492 >GLU.D 54 10.72 1.07 10.38 8.83 0.93 9.48 9.77 1.00 9.93 2 0 18.84 -999 ? CO CO D 493 >GLY.D 55 16.22 -1.61 9.34 15.80 -1.36 8.72 16.01 -1.48 9.03 1 0 15.21 -999 ? CO CO D 492 >ARG.D 56 13.87 -0.83 2.42 10.88 -1.19 1.83 12.37 -1.01 2.13 2 0 19.39 -999 ? CO CO D 492 >ASP.D 57 20.28 -3.50 4.53 20.20 -5.65 4.51 20.24 -4.58 4.52 2 0 16.49 -999 ? CO CO D 492 >PRO.D 58 22.07 -2.88 0.66 19.85 -3.13 0.75 20.96 -3.00 0.70 3 0 14.88 -999 ? CO CO D 492 >PHE.D 59 21.60 -7.62 -0.30 23.62 -6.92 -2.11 22.61 -7.27 -1.20 3 0 18.93 -999 ? CO CO D 492 >GLY.D 60 16.52 -7.14 3.04 16.48 -6.42 2.77 16.50 -6.78 2.91 1 0 19.65 -999 ? CO CO D 492 >ASP.D 61 11.90 -6.80 4.38 11.39 -7.65 2.52 11.65 -7.23 3.45 2 0 23.11 -999 ? CO CO D 492 >PRO.D 62 10.71 -2.95 6.24 12.63 -3.98 6.72 11.67 -3.46 6.48 3 0 19.54 -999 ? CO CO D 492 >THR.D 63 13.02 -5.45 10.73 15.11 -5.99 10.56 14.06 -5.72 10.64 2 0 19.47 -999 ? CO CO D 492 >ALA.D 64 12.28 -2.73 13.28 12.48 -1.23 13.04 12.38 -1.98 13.16 2 0 18.58 -999 ? CO CO D 492 >ASP.D 65 9.64 -4.27 16.90 7.80 -4.79 17.79 8.72 -4.53 17.34 2 0 17.10 -999 ? CO CO D 493 >ARG.D 66 10.84 1.48 16.25 13.63 0.19 16.25 12.24 0.83 16.25 2 0 18.15 -999 ? CO CO D 493 >PRO~D 67 6.37 2.78 19.28 5.53 1.20 17.94 5.95 1.99 18.61 3 0 10.75 -999 ? CO CO D 493 >TRP~D 68 6.31 4.63 13.62 8.82 5.08 16.61 7.57 4.86 15.12 3 0 12.46 -999 ? CO CO D 493 >ASN~D 69 4.56 -0.10 12.78 6.11 0.50 11.44 5.34 0.20 12.11 2 0 16.35 -999 ? CO CO D 493 >ARG.D 70 -0.77 0.91 17.47 -3.78 0.41 17.76 -2.27 0.66 17.61 2 0 11.09 -999 ? CO CO D 493 >TYR.D 71 -0.98 5.12 14.16 -1.36 5.49 16.89 -1.17 5.31 15.53 3 0 9.15 -999 ? CO CO D 493 >THR.D 72 -1.62 2.75 8.54 -3.05 1.51 7.49 -2.34 2.13 8.02 2 0 18.21 -999 ? CO CO D 493 >ASP.D 73 -4.00 7.00 8.40 -4.52 8.87 7.50 -4.26 7.93 7.95 2 0 16.90 -999 ? CO CO D 493 >PRO~D 74 -0.16 7.41 4.45 -0.31 7.80 6.64 -0.23 7.60 5.54 3 0 18.36 -999 ? CO CO D 493 >MET~D 75 -0.74 11.28 8.62 -0.51 14.34 7.45 -0.63 12.81 8.03 2 0 17.26 -999 ? CO CO D 493 >ASP~D 76 -2.49 8.14 11.93 -4.56 8.67 11.84 -3.52 8.40 11.89 2 0 12.75 -999 ? CO CO D 493 >LYS~D 77 1.93 7.86 11.54 4.51 2.86 8.64 3.22 5.36 10.09 2 0 17.10 -999 ? CO CO D 493 >ALA~D 78 3.49 11.30 10.92 3.11 12.26 9.80 3.30 11.78 10.36 2 0 14.82 -999 ? CO CO D 493 >PHE~D 79 -0.06 14.12 13.51 -0.87 16.39 12.10 -0.46 15.25 12.80 3 0 12.70 -999 ? CO CO D 493 >ALA~D 80 2.52 9.44 16.10 2.17 8.03 15.64 2.34 8.74 15.87 2 0 8.63 -999 ? CO CO D 493 >ARG~D 81 7.52 8.54 11.92 7.22 6.63 9.53 7.37 7.59 10.73 2 0 16.35 -999 ? CO CO D 493 >VAL~D 82 6.27 13.56 16.49 5.63 15.44 15.64 5.95 14.50 16.07 3 0 11.40 -999 ? CO CO D 493 >ASP~D 83 3.51 11.76 20.06 1.88 13.09 19.64 2.69 12.42 19.85 2 0 6.27 -999 ? CO CO D 493 >ALA~D 84 7.38 9.54 20.09 7.51 8.39 19.11 7.44 8.96 19.60 2 0 9.15 -999 ? CO CO D 493 >LEU~D 85 10.07 13.14 18.31 11.67 14.61 18.15 10.87 13.87 18.23 3 0 13.42 -999 ? CO CO D 493 >PHE~D 86 8.51 16.23 21.59 8.74 18.30 19.70 8.62 17.27 20.65 3 0 12.58 -999 ? CO CO D 493 >GLU~D 87 7.83 9.02 25.67 6.54 7.39 25.33 7.18 8.21 25.50 2 0 7.17 -999 ? CO CO D 493 >PHE~D 88 13.73 8.57 21.65 16.05 7.08 21.11 14.89 7.82 21.38 3 0 15.43 -999 ? CO CO D 493 >CYH~D 89 14.16 12.77 24.14 14.42 14.06 21.72 14.29 13.41 22.93 2 0 15.71 -999 ? CO CO D 493 >GLU~D 90 10.71 13.77 29.20 8.65 14.21 29.41 9.68 13.99 29.31 2 0 11.75 -999 ? CO CO D 493 >LYS~D 91 13.45 9.63 28.74 8.49 5.78 28.35 10.97 7.70 28.54 2 0 10.38 -999 ? CO CO D 493 >LEU~D 92 17.15 9.24 25.64 18.01 7.27 25.37 17.58 8.25 25.50 3 0 17.96 -999 ? CO CO D 493 >ASN.D 93 18.68 12.74 29.45 18.27 13.23 31.47 18.48 12.98 30.46 2 0 20.51 -999 ? CO CO D 493 >ILE.D 94 18.22 14.00 23.83 18.92 13.38 22.79 18.57 13.69 23.31 3 0 16.28 -999 ? CO CO D 491 >GLU.D 95 17.86 19.14 26.74 18.80 20.46 28.07 18.33 19.80 27.40 2 0 21.90 -999 ? CO CO D 491 >TYR.D 96 19.87 20.49 20.97 20.77 22.80 22.24 20.32 21.64 21.61 3 0 16.41 -999 ? CO CO D 491 >PHE.D 97 14.33 17.38 17.08 12.46 19.19 16.08 13.40 18.29 16.58 3 0 15.17 -999 ? CO CO D 491 >CYH.D 98 17.49 17.39 13.76 20.19 18.06 14.21 18.84 17.72 13.98 2 0 9.05 -999 ? CO CO D 491 >PHE.D 99 13.22 18.17 11.15 12.46 20.82 10.67 12.84 19.49 10.91 3 0 14.04 -999 ? CO CO D 491 >HIS.D 100 16.42 14.99 6.16 18.37 14.24 6.15 17.39 14.61 6.15 3 0 8.17 -999 ? CO CO D 491 >ASP~D 101 11.53 19.40 4.77 12.59 18.92 3.00 12.06 19.16 3.88 2 0 14.81 -999 ? CO CO D 491 >ARG~D 102 9.57 15.68 1.27 8.99 18.57 0.38 9.28 17.12 0.83 2 0 18.81 -999 ? CO CO D 491 >ASP~D 103 12.25 13.26 8.46 14.17 12.76 7.70 13.21 13.01 8.08 2 0 10.96 -999 ? CO CO D 491 >ILE~D 104 8.46 16.16 10.01 9.19 17.41 10.23 8.83 16.78 10.12 3 0 16.76 -999 ? CO CO D 491 >ALA.D 105 5.46 14.97 6.71 4.99 16.43 6.67 5.23 15.70 6.69 2 0 19.46 -999 ? CO CO D 493 >PRO.D 106 2.37 12.63 4.94 4.45 13.16 4.35 3.41 12.90 4.65 3 0 19.95 -999 ? CO CO D 493 >GLU.D 107 6.33 15.39 -1.15 7.86 14.99 -2.56 7.09 15.19 -1.86 2 0 20.52 -999 ? CO CO D 491 >GLY.D 108 1.51 15.65 -1.84 2.26 15.54 -2.19 1.88 15.60 -2.01 1 0 25.84 -999 ? CO CO D 491 >THR.D 110 2.21 19.24 -5.93 0.35 20.31 -6.33 1.28 19.78 -6.13 2 0 29.69 -999 ? CO CO D 491 >LEU~D 111 5.68 22.36 -4.53 7.45 22.95 -3.50 6.56 22.65 -4.02 3 0 24.26 -999 ? CO CO D 491 >ARG~D 112 -1.42 25.59 -3.83 -0.17 28.38 -4.33 -0.79 26.98 -4.08 2 0 32.15 -999 ? CO CO D 491 >GLU~D 113 -1.69 18.76 -2.62 -2.36 17.32 -1.23 -2.03 18.04 -1.92 2 0 26.51 -999 ? CO CO D 493 >THR~D 114 3.18 19.12 0.11 5.01 18.25 -0.69 4.10 18.68 -0.29 2 0 22.64 -999 ? CO CO D 491 >ASN~D 115 4.05 23.79 1.24 6.07 23.93 0.54 5.06 23.86 0.89 2 0 23.25 -999 ? CO CO D 491 >LYS~D 116 0.23 22.47 3.32 -5.17 24.15 0.40 -2.47 23.31 1.86 2 0 28.35 -999 ? CO CO D 493 >ILE~D 117 1.00 17.68 3.85 0.63 16.32 3.36 0.82 17.00 3.60 3 0 21.80 -999 ? CO CO D 493 >LEU~D 118 5.16 20.57 5.16 7.25 20.49 5.66 6.21 20.53 5.41 3 0 20.51 -999 ? CO CO D 491 >ASP~D 119 1.75 24.08 7.40 2.87 25.48 6.28 2.31 24.78 6.84 2 0 24.30 -999 ? CO CO D 493 >VAL~D 121 2.99 18.60 11.35 3.93 17.22 9.93 3.46 17.91 10.64 3 0 16.38 -999 ? CO CO D 493 >VAL~D 122 5.22 21.63 11.95 6.47 23.01 10.77 5.85 22.32 11.36 3 0 19.27 -999 ? CO CO D 493 >ARG~D 124 0.37 16.58 16.62 -2.57 16.05 17.34 -1.10 16.31 16.98 2 0 9.87 -999 ? CO CO D 493 >ILE~D 125 7.00 19.95 15.48 8.12 19.35 14.78 7.56 19.65 15.13 3 0 15.86 -999 ? CO CO D 493 >LYS~D 126 5.86 23.55 17.92 4.92 28.48 14.94 5.39 26.01 16.43 2 0 22.05 -999 ? CO CO D 493 >GLU~D 127 0.84 23.02 19.41 -0.82 21.87 18.66 0.01 22.45 19.04 2 0 13.90 -999 ? CO CO D 493 >MET~D 129 8.19 21.87 21.73 10.51 23.30 18.62 9.35 22.58 20.17 2 0 18.67 -999 ? CO CO D 493 >SER.D 132 8.98 20.53 26.47 10.26 18.50 25.97 9.62 19.52 26.22 2 0 14.36 -999 ? CO CO D 493 >VAL.D 134 13.82 20.00 23.29 12.59 18.32 22.51 13.21 19.16 22.90 3 0 16.93 -999 ? CO CO D 493 >LYS.D 135 15.01 22.37 20.57 17.89 23.73 24.70 16.45 23.05 22.64 2 0 20.73 -999 ? CO CO D 491 >LEU.D 136 15.10 22.99 15.83 14.99 22.39 13.77 15.04 22.69 14.80 3 0 15.27 -999 ? CO CO D 491 >LEU.D 137 20.53 20.74 16.70 22.61 20.85 17.19 21.57 20.80 16.94 3 0 12.00 -999 ? CO CO D 491 >TRP^D 138 22.67 20.50 12.94 21.59 17.70 10.38 22.13 19.10 11.66 3 0 7.42 -999 ? CO CO D 491 >GLY^D 139 17.06 21.51 9.88 17.86 21.76 9.67 17.46 21.64 9.78 1 0 11.71 -999 ? CO CO D 491 >THR^D 140 17.65 20.46 6.30 18.93 18.71 6.01 18.29 19.58 6.15 2 0 8.66 -999 ? CO CO D 491 >ALA.D 141 15.86 19.70 3.05 15.73 20.77 1.96 15.80 20.23 2.50 2 0 13.70 -999 ? CO CO D 491 >ASN.D 142 14.97 15.02 2.02 15.37 13.15 1.06 15.17 14.09 1.54 2 0 12.19 -999 ? CO CO D 491 >LEU.D 143 17.95 18.06 -2.22 17.31 20.12 -2.09 17.63 19.09 -2.15 3 0 14.25 -999 ? CO CO D 491 >PHE.D 144 19.07 12.62 -0.56 18.51 12.27 2.17 18.79 12.45 0.80 3 0 9.91 -999 ? CO CO D 491 >SER.D 145 15.27 10.65 -2.10 15.28 10.14 0.28 15.28 10.40 -0.91 2 0 12.78 -999 ? CO CO D 492 >HIS.D 146 10.59 12.93 -5.47 9.11 13.08 -6.95 9.85 13.00 -6.21 3 0 21.13 -999 ? CO CO D 491 >PRO~D 147 11.51 8.83 -7.79 12.93 10.53 -7.59 12.22 9.68 -7.69 3 0 20.17 -999 ? CO CO D 492 >ARG~D 148 11.87 17.26 -7.60 9.89 16.28 -5.46 10.88 16.77 -6.53 2 0 20.83 -999 ? CO CO D 491 >TYR~D 149 16.07 15.74 -6.02 14.58 17.89 -5.05 15.32 16.81 -5.53 3 0 17.43 -999 ? CO CO D 491 >MET.D 150 18.15 11.31 -9.82 15.85 9.92 -12.93 17.00 10.61 -11.38 2 0 22.29 -999 ? CO CO D 492 >HIS.D 151 19.64 13.27 -14.07 19.08 11.79 -15.44 19.36 12.53 -14.76 3 0 22.81 -999 ? CO CO D 492 >GLY.D 152 21.03 15.94 -8.70 20.27 15.91 -9.02 20.65 15.92 -8.86 1 0 17.55 -999 ? CO CO D 492 >ALA.D 153 19.30 19.00 -7.30 19.17 19.18 -5.80 19.24 19.09 -6.55 2 0 16.54 -999 ? CO CO D 491 >ALA.D 154 21.30 22.19 -7.88 22.15 22.93 -6.86 21.72 22.56 -7.37 2 0 18.38 -999 ? CO CO D 491 >THR.D 155 23.49 20.16 -10.26 24.94 19.24 -8.92 24.21 19.70 -9.59 2 0 18.37 -999 ? CO CO D 491 >THR.D 156 20.56 18.64 -12.15 18.44 19.09 -12.27 19.50 18.86 -12.21 2 0 22.53 -999 ? CO CO D 491 >CYH.D 157 20.31 18.87 -15.93 19.67 16.25 -16.64 19.99 17.56 -16.29 2 0 25.24 -999 ? CO CO D 492 >SER.D 158 16.66 19.98 -15.70 14.30 19.43 -15.43 15.48 19.71 -15.56 2 0 26.92 -999 ? CO CO D 491 >ALA~D 159 15.82 23.59 -14.84 15.68 24.73 -15.83 15.75 24.16 -15.34 2 0 28.48 -999 ? CO CO D 491 >ASP~D 160 11.45 21.50 -14.16 10.27 22.45 -15.65 10.86 21.97 -14.91 2 0 29.76 -999 ? CO CO D 491 >VAL~D 161 14.23 20.34 -10.89 15.05 18.32 -10.77 14.64 19.33 -10.83 3 0 22.76 -999 ? CO CO D 491 >PHE~D 162 18.27 25.12 -10.43 19.99 27.01 -9.26 19.13 26.06 -9.84 3 0 23.16 -999 ? CO CO D 491 >ALA~D 163 13.39 25.34 -9.49 12.35 25.66 -10.57 12.87 25.50 -10.03 2 0 26.07 -999 ? CO CO D 491 >TYR~D 164 10.52 20.53 -6.76 8.94 19.23 -4.88 9.73 19.88 -5.82 3 0 22.01 -999 ? CO CO D 491 >ALA~D 165 14.88 22.34 -5.29 16.21 21.88 -5.83 15.54 22.11 -5.56 2 0 18.93 -999 ? CO CO D 491 >ALA~D 166 15.14 26.11 -4.76 15.30 27.18 -5.84 15.22 26.65 -5.30 2 0 22.28 -999 ? CO CO D 491 >ALA~D 167 11.48 26.21 -3.68 10.33 25.83 -4.58 10.91 26.02 -4.13 2 0 23.41 -999 ? CO CO D 491 >GLN~D 168 12.25 20.88 -0.51 12.64 18.84 -0.99 12.45 19.86 -0.75 2 0 16.62 -999 ? CO CO D 491 >VAL~D 169 14.97 24.79 0.30 17.13 24.87 -0.08 16.05 24.83 0.11 3 0 16.96 -999 ? CO CO D 491 >LYS~D 170 13.06 28.07 0.67 8.79 31.24 0.00 10.93 29.66 0.33 2 0 25.78 -999 ? CO CO D 491 >LYS~D 171 10.34 26.31 2.65 5.51 26.77 4.73 7.93 26.54 3.69 2 0 24.15 -999 ? CO CO D 491 >ALA~D 172 12.97 24.39 4.64 14.02 23.49 4.03 13.49 23.94 4.33 2 0 15.79 -999 ? CO CO D 491 >LEU~D 173 15.31 28.67 4.65 17.43 29.03 4.51 16.37 28.85 4.58 3 0 18.38 -999 ? CO CO D 491 >GLU~D 174 10.20 30.29 4.74 8.66 30.13 3.29 9.43 30.21 4.02 2 0 24.20 -999 ? CO CO D 491 >ILE~D 175 9.64 24.88 8.66 9.34 23.77 7.75 9.49 24.33 8.20 3 0 19.21 -999 ? CO CO D 491 >THR~D 176 13.81 26.05 10.41 15.75 25.19 9.84 14.78 25.62 10.13 2 0 15.33 -999 ? CO CO D 491 >LYS~D 177 13.69 29.73 11.33 12.30 35.75 10.50 13.00 32.74 10.92 2 0 26.07 -999 ? CO CO D 491 >GLU~D 178 7.71 29.32 12.34 6.13 28.69 11.11 6.92 29.01 11.73 2 0 24.33 -999 ? CO CO D 493 >LEU.D 179 11.37 24.81 14.41 9.60 23.64 13.94 10.48 24.23 14.17 3 0 19.23 -999 ? CO CO D 491 >GLY.D 180 14.31 28.23 16.12 14.37 27.59 15.69 14.34 27.91 15.90 1 0 20.10 -999 ? CO CO D 491 >GLY.D 181 17.03 26.09 14.56 17.07 26.89 14.76 17.05 26.49 14.66 1 0 16.46 -999 ? CO CO D 491 >GLU.D 182 21.02 26.56 17.87 22.29 25.69 19.33 21.66 26.12 18.60 2 0 16.87 -999 ? CO CO D 491 >GLY^D 183 21.72 25.93 11.88 20.97 25.63 12.00 21.35 25.78 11.94 1 0 13.69 -999 ? CO CO D 491 >TYR^D 184 19.25 25.18 6.41 17.86 23.92 4.34 18.55 24.55 5.38 3 0 13.51 -999 ? CO CO D 491 >VAL^D 185 22.61 21.90 6.80 23.40 20.14 7.80 23.01 21.02 7.30 3 0 8.24 -999 ? CO CO D 491 >PHE^D 186 23.24 23.47 2.20 21.80 25.87 2.04 22.52 24.67 2.12 3 0 13.39 -999 ? CO CO D 491 >TRP.D 187 25.68 14.88 2.71 23.41 11.90 1.46 24.54 13.39 2.08 3 0 6.32 -999 ? CO CO D 492 >GLY.D 188 24.64 17.25 -1.45 24.71 16.61 -0.95 24.67 16.93 -1.20 1 0 10.70 -999 ? CO CO D 491 >GLY.D 189 23.62 13.59 -1.60 23.65 14.09 -2.18 23.64 13.84 -1.89 1 0 9.68 -999 ? CO CO D 492 >ARG.D 190 20.80 11.24 -5.66 20.18 8.30 -4.98 20.49 9.77 -5.32 2 0 13.29 -999 ? CO CO D 492 >GLU.D 191 23.92 18.34 -4.54 22.63 19.34 -5.91 23.27 18.84 -5.22 2 0 15.81 -999 ? CO CO D 491 >GLY.D 192 28.01 14.74 -7.73 27.27 14.73 -8.21 27.64 14.74 -7.97 1 0 15.51 -999 ? CO CO D 492 >TYR.D 193 30.70 12.52 -11.54 33.44 11.98 -11.24 32.07 12.25 -11.39 3 0 19.26 -999 ? CO CO D 492 >GLU.D 194 26.87 6.37 -11.63 25.11 5.36 -11.09 25.99 5.86 -11.36 2 0 18.37 -999 ? CO CO D 492 >THR.D 195 29.96 9.03 -14.77 29.26 8.43 -16.73 29.61 8.73 -15.75 2 0 23.71 -999 ? CO CO D 492 >LEU.D 196 33.47 12.00 -16.28 34.60 13.09 -14.82 34.04 12.55 -15.55 3 0 23.82 -999 ? CO CO D 492 >LEU.D 197 30.46 9.38 -20.28 32.05 8.00 -20.86 31.26 8.69 -20.57 3 0 27.80 -999 ? CO CO D 492 >ASN.D 198 26.11 11.85 -19.08 25.91 11.14 -17.07 26.01 11.49 -18.08 2 0 23.89 -999 ? CO CO D 492 >THR.D 199 28.69 15.32 -16.95 28.94 14.91 -14.83 28.82 15.11 -15.89 2 0 22.42 -999 ? CO CO D 492 >ASP.D 200 28.60 19.94 -18.42 29.57 21.81 -18.82 29.08 20.88 -18.62 2 0 28.59 -999 ? CO CO D 492 >LEU~D 201 32.91 18.83 -14.28 33.75 18.14 -12.42 33.33 18.49 -13.35 3 0 23.13 -999 ? CO CO D 492 >GLY~D 202 32.03 23.07 -14.86 31.32 22.67 -14.88 31.67 22.87 -14.87 1 0 26.17 -999 ? CO CO D 492 >PHE~D 203 26.17 23.92 -16.79 23.64 25.07 -17.03 24.91 24.49 -16.91 3 0 27.75 -999 ? CO CO D 491 >GLU~D 204 26.48 19.43 -13.44 26.34 17.36 -12.95 26.41 18.40 -13.20 2 0 21.22 -999 ? CO CO D 492 >LEU~D 205 31.09 23.32 -10.19 32.17 21.71 -9.21 31.63 22.51 -9.70 3 0 21.42 -999 ? CO CO D 491 >GLU~D 206 29.80 27.58 -13.39 31.09 28.47 -11.98 30.45 28.03 -12.69 2 0 26.21 -999 ? CO CO D 491 >ASN~D 207 23.85 25.02 -11.56 23.13 25.65 -13.48 23.49 25.33 -12.52 2 0 25.29 -999 ? CO CO D 491 >LEU~D 208 26.68 23.59 -7.18 26.77 22.47 -5.33 26.73 23.03 -6.25 3 0 17.77 -999 ? CO CO D 491 >ALA~D 209 27.22 27.97 -6.52 28.50 28.52 -7.12 27.86 28.24 -6.82 2 0 22.13 -999 ? CO CO D 491 >ARG~D 210 23.73 30.36 -11.67 25.61 29.53 -13.92 24.67 29.95 -12.80 2 0 27.72 -999 ? CO CO D 491 >PHE~D 211 20.80 25.72 -5.11 18.61 24.49 -3.87 19.70 25.10 -4.49 3 0 18.41 -999 ? CO CO D 491 >LEU~D 212 25.57 27.85 -2.34 25.71 25.70 -2.09 25.64 26.78 -2.21 3 0 17.31 -999 ? CO CO D 491 >ARG~D 213 25.65 35.19 -4.30 26.83 33.11 -6.31 26.24 34.15 -5.31 2 0 24.88 -999 ? CO CO D 491 >MET~D 214 20.42 32.29 -3.67 18.60 31.20 -7.16 19.51 31.75 -5.41 2 0 24.72 -999 ? CO CO D 491 >ALA~D 215 19.95 30.42 -0.42 20.46 29.02 -0.15 20.21 29.72 -0.28 2 0 18.64 -999 ? CO CO D 491 >VAL~D 216 22.16 32.86 1.52 24.27 32.86 0.86 23.22 32.86 1.19 3 0 21.09 -999 ? CO CO D 491 >ASP~D 217 20.28 36.20 -1.50 22.15 36.79 -2.32 21.21 36.50 -1.91 2 0 26.15 -999 ? CO CO D 491 >TYR~D 218 14.80 33.19 0.85 12.18 33.04 1.77 13.49 33.11 1.31 3 0 24.17 -999 ? CO CO D 491 >ALA~D 219 18.22 33.67 4.45 19.50 32.93 4.80 18.86 33.30 4.63 2 0 20.89 -999 ? CO CO D 491 >LYS~D 220 18.91 37.43 4.68 24.50 38.60 1.93 21.70 38.01 3.31 2 0 26.28 -999 ? CO CO D 491 >ILE~D 222 13.37 35.02 5.86 13.40 33.74 5.31 13.39 34.38 5.59 3 0 24.43 -999 ? CO CO D 491 >GLY.D 223 16.14 37.45 8.94 16.01 36.72 8.63 16.07 37.08 8.78 1 0 25.92 -999 ? CO CO D 491 >PHE.D 224 17.89 31.47 8.92 18.84 29.02 9.90 18.37 30.25 9.41 3 0 18.42 -999 ? CO CO D 491 >THR.D 225 20.27 33.84 11.91 19.28 34.82 13.56 19.78 34.33 12.73 2 0 23.04 -999 ? CO CO D 491 >GLY.D 226 21.23 30.17 12.01 21.52 30.74 11.48 21.37 30.45 11.74 1 0 17.84 -999 ? CO CO D 491 >GLN^D 227 27.09 28.19 11.09 27.85 29.97 10.18 27.47 29.08 10.63 2 0 17.15 -999 ? CO CO D 491 >PHE^D 228 23.67 28.82 5.46 21.26 29.67 4.34 22.47 29.25 4.90 3 0 16.70 -999 ? CO CO D 491 >LEU^D 229 26.17 23.23 8.63 26.43 23.59 10.72 26.30 23.41 9.68 3 0 10.43 -999 ? CO CO D 491 >ILE^D 230 28.81 22.65 3.51 29.16 22.99 2.24 28.99 22.82 2.87 3 0 11.82 -999 ? CO CO D 491 >GLU.D 231 27.32 16.27 6.42 25.67 15.30 7.34 26.49 15.78 6.88 2 0 -2.49 -999 ? CO CO D 491s >PRO.D 232 32.31 18.30 4.41 30.57 17.10 3.69 31.44 17.70 4.05 3 0 8.95 -999 ? CO CO D 491 >LYS.D 233 30.82 13.18 1.90 26.46 8.69 2.41 28.64 10.93 2.16 2 0 4.43 -999 ? CO CO D 492 >PRO.D 234 33.62 9.96 0.93 32.76 11.74 -0.09 33.19 10.85 0.42 3 0 9.48 -999 ? CO CO D 492 >LYS.D 235 30.55 9.28 -2.32 35.42 5.51 -2.10 32.99 7.39 -2.21 2 0 13.35 -999 ? CO CO D 492 >GLU.D 236 26.54 5.50 -0.11 26.90 3.66 0.82 26.72 4.58 0.35 2 0 8.36 -999 ? CO CO D 492 >PRO.D 237 23.36 8.89 -3.33 25.08 7.58 -2.82 24.22 8.23 -3.08 3 0 10.14 -999 ? CO CO D 492 >THR.D 238 27.04 8.92 -6.12 27.05 11.08 -5.81 27.04 10.00 -5.96 2 0 12.70 -999 ? CO CO D 492 >LYS.D 239 30.40 7.69 -7.48 34.49 5.54 -10.24 32.45 6.61 -8.86 2 0 19.30 -999 ? CO CO D 492 >HIS.D 240 33.55 12.90 -7.24 34.64 14.54 -6.50 34.09 13.72 -6.87 3 0 16.27 -999 ? CO CO D 492 >GLN.D 241 28.62 14.39 -2.58 27.60 13.70 -0.86 28.11 14.05 -1.72 2 0 8.81 -999 ? CO CO D 492 >TYR.D 242 30.19 18.03 -7.20 29.70 17.34 -9.87 29.95 17.68 -8.54 3 0 17.73 -999 ? CO CO D 492 >ASP.D 243 30.75 18.72 -0.42 29.57 20.30 -1.20 30.16 19.51 -0.81 2 0 12.80 -999 ? CO CO D 491 >PHE.D 244 36.18 13.88 -2.09 37.46 11.38 -2.00 36.82 12.63 -2.04 3 0 14.09 -999 ? CO CO D 492 >ASP.D 245 37.01 15.76 2.31 38.66 16.33 1.07 37.83 16.05 1.69 2 0 15.24 -999 ? CO CO D 492 >VAL~D 246 36.60 19.74 4.07 37.04 20.26 6.15 36.82 20.00 5.11 3 0 13.98 -999 ? CO CO D 491 >ALA~D 247 39.45 20.85 1.83 40.79 20.15 1.69 40.12 20.50 1.76 2 0 18.46 -999 ? CO CO D 491 >THR~D 248 37.53 20.15 -1.39 37.23 18.36 -2.57 37.38 19.26 -1.98 2 0 16.90 -999 ? CO CO D 492 >ALA~D 249 34.32 21.86 -0.24 33.44 21.42 0.92 33.88 21.64 0.34 2 0 13.95 -999 ? CO CO D 491 >TYR~D 250 38.15 26.02 2.38 39.13 28.63 2.72 38.64 27.32 2.55 3 0 20.47 -999 ? CO CO D 491 >ALA~D 251 38.12 25.05 -2.26 38.82 23.90 -2.98 38.47 24.48 -2.62 2 0 20.83 -999 ? CO CO D 491 >PHE~D 252 32.37 24.73 -4.61 29.89 25.49 -5.64 31.13 25.11 -5.12 3 0 19.06 -999 ? CO CO D 491 >LEU~D 253 33.19 27.70 0.03 31.49 26.73 0.92 32.34 27.22 0.47 3 0 17.71 -999 ? CO CO D 491 >LYS~D 254 36.56 30.01 -1.37 39.62 33.87 0.64 38.09 31.94 -0.36 2 0 26.48 -999 ? CO CO D 491 >SER~D 255 36.70 29.76 -5.17 36.81 28.57 -7.30 36.75 29.17 -6.24 2 0 24.95 -999 ? CO CO D 491 >HIS~D 256 32.21 29.47 -7.01 32.52 28.17 -8.63 32.36 28.82 -7.82 3 0 23.71 -999 ? CO CO D 491 >GLY.D 257 33.24 33.72 -2.61 32.85 33.05 -2.60 33.05 33.39 -2.61 1 0 24.73 -999 ? CO CO D 491 >LEU.D 258 29.96 30.58 -1.13 28.75 31.03 -2.87 29.35 30.81 -2.00 3 0 20.95 -999 ? CO CO D 491 >ASP~D 259 34.65 30.49 2.17 35.71 32.27 1.80 35.18 31.38 1.98 2 0 22.86 -999 ? CO CO D 491 >GLU~D 260 32.45 36.02 5.49 32.44 38.05 4.87 32.44 37.03 5.18 2 0 26.22 -999 ? CO CO D 491 >TYR~D 261 27.80 33.85 3.39 27.74 36.46 2.39 27.77 35.16 2.89 3 0 22.86 -999 ? CO CO D 491 >PHE^D 262 28.41 27.87 3.55 26.19 28.15 1.89 27.30 28.01 2.72 3 0 16.08 -999 ? CO CO D 491 >LYS^D 263 30.94 26.16 8.28 31.88 29.24 13.68 31.41 27.70 10.98 2 0 18.25 -999 ? CO CO D 491 >PHE^D 264 33.21 22.49 6.65 34.43 23.91 4.57 33.82 23.20 5.61 3 0 13.61 -999 ? CO CO D 491 >ASN^D 265 27.65 19.47 9.53 26.70 17.97 10.70 27.18 18.72 10.11 2 0 5.59 -999 ? CO CO D 491 >ILE^D 266 33.16 17.00 10.55 33.75 17.61 10.33 33.45 17.30 10.44 3 0 9.56 -999 ? CO CO D 491 >GLU^D 267 29.00 11.30 9.48 27.11 10.99 8.60 28.05 11.14 9.04 2 0 2.50 -999 ? CO CO D 492s >ALA~D 268 33.00 10.41 11.29 32.85 9.58 12.57 32.92 10.00 11.93 2 0 8.77 -999 ? CO CO D 492 >ASN~D 269 30.60 7.11 8.62 30.80 5.14 7.79 30.70 6.12 8.20 2 0 6.37 -999 ? CO CO D 492 >HIS~D 270 29.98 11.55 5.72 27.88 11.51 5.59 28.93 11.53 5.65 3 0 -3.52 -999 ? CO CO D 492s >ALA~D 271 35.74 11.34 6.91 36.11 11.74 8.33 35.92 11.54 7.62 2 0 10.21 -999 ? CO CO D 492 >THR~D 272 36.95 7.74 6.86 36.11 6.82 8.61 36.53 7.28 7.73 2 0 10.36 -999 ? CO CO D 492 >LEU~D 273 33.71 7.08 3.36 32.37 5.42 3.01 33.04 6.25 3.19 3 0 8.32 -999 ? CO CO D 492 >ALA.D 274 37.25 9.72 1.94 36.96 11.19 2.18 37.10 10.45 2.06 2 0 11.74 -999 ? CO CO D 492 >GLY.D 275 40.42 8.11 3.28 40.05 8.71 3.67 40.23 8.41 3.47 1 0 14.63 -999 ? CO CO D 492 >HIS.D 276 40.56 12.58 4.80 41.15 13.43 2.98 40.85 13.00 3.89 3 0 15.26 -999 ? CO CO D 492 >THR.D 277 40.60 9.98 9.97 42.59 10.08 10.82 41.59 10.03 10.40 2 0 16.82 -999 ? CO CO D 492 >PHE~D 278 35.84 11.79 13.53 33.61 13.19 14.49 34.72 12.49 14.01 3 0 11.15 -999 ? CO CO D 491 >GLN~D 279 42.34 14.43 15.31 43.96 13.75 16.56 43.15 14.09 15.93 2 0 20.55 -999 ? CO CO D 491 >HIS~D 280 42.88 14.77 8.10 43.62 15.92 6.51 43.25 15.35 7.30 3 0 17.96 -999 ? CO CO D 492 >GLU~D 281 36.94 15.83 7.49 38.09 16.01 5.69 37.52 15.92 6.59 2 0 13.53 -999 ? CO CO D 492 >LEU~D 282 37.87 17.33 13.75 35.93 16.44 14.16 36.90 16.89 13.95 3 0 13.57 -999 ? CO CO D 491 >ARG~D 283 44.38 19.57 14.44 46.26 17.72 16.01 45.32 18.64 15.22 2 0 22.94 -999 ? CO CO D 491 >MET~D 284 41.20 20.94 9.01 43.34 20.56 6.51 42.27 20.75 7.76 2 0 19.78 -999 ? CO CO D 491 >ALA~D 285 37.77 22.42 9.73 36.58 21.60 10.25 37.18 22.01 9.99 2 0 14.39 -999 ? CO CO D 491 >ARG~D 286 40.47 22.98 16.42 43.43 22.31 16.73 41.95 22.64 16.57 2 0 22.12 -999 ? CO CO D 491 >ILE~D 287 43.65 25.12 10.95 44.50 24.10 10.52 44.07 24.61 10.73 3 0 22.30 -999 ? CO CO D 491 >LEU.D 288 39.24 26.16 7.66 40.27 25.46 5.91 39.76 25.81 6.78 3 0 19.45 -999 ? CO CO D 491 >GLY.D 289 37.79 28.31 11.50 37.54 27.76 10.94 37.66 28.03 11.22 1 0 20.02 -999 ? CO CO D 491 >LYS.D 290 34.79 26.33 10.26 34.74 30.21 6.01 34.76 28.27 8.13 2 0 19.76 -999 ? CO CO D 491 >LEU^D 291 35.31 23.13 13.88 35.23 21.19 14.86 35.27 22.16 14.37 3 0 14.84 -999 ? CO CO D 491 >GLY^D 292 30.59 24.00 12.83 30.91 23.35 13.12 30.75 23.68 12.98 1 0 12.96 -999 ? CO CO D 491 >SER^D 293 28.94 20.86 14.15 26.66 20.28 14.77 27.80 20.57 14.46 2 0 9.69 -999 ? CO CO D 491 >ILE^D 294 30.37 16.61 15.45 31.66 16.13 15.93 31.02 16.37 15.69 3 0 9.92 -999 ? CO CO D 491 >ASP^D 295 26.98 13.72 11.81 25.37 14.89 11.09 26.17 14.30 11.45 2 0 -3.21 -999 ? CO CO D 491s >ALA.D 296 28.44 11.54 15.83 28.26 11.81 17.32 28.35 11.68 16.57 2 0 9.54 -999 ? CO CO D 491 >ASN.D 297 27.78 7.76 13.09 28.59 8.53 11.28 28.18 8.15 12.19 2 0 5.16 -999 ? CO CO D 492 >GLN.D 298 32.52 3.57 14.87 32.66 2.51 16.71 32.59 3.04 15.79 2 0 13.73 -999 ? CO CO D 492 >GLY.D 299 31.99 3.62 10.41 32.44 3.47 11.09 32.22 3.54 10.75 1 0 8.98 -999 ? CO CO D 492 >ASP.D 300 32.79 -1.03 9.60 33.90 -2.84 9.86 33.35 -1.93 9.73 2 0 14.83 -999 ? CO CO D 492 >LEU.D 301 38.32 1.15 9.05 38.45 2.94 10.27 38.38 2.04 9.66 3 0 14.51 -999 ? CO CO D 492 >LEU.D 302 37.31 -3.93 7.41 39.32 -4.54 8.02 38.32 -4.24 7.72 3 0 16.43 -999 ? CO CO A 492 >LEU.D 303 32.47 -2.02 5.55 31.82 -3.84 6.50 32.14 -2.93 6.03 3 0 13.77 -999 ? CO CO D 492 >GLY.D 304 33.45 0.47 1.82 32.81 0.31 2.21 33.13 0.39 2.01 1 0 12.55 -999 ? CO CO D 492 >TRP.D 305 27.63 -0.08 4.11 29.38 -3.53 3.24 28.50 -1.81 3.67 3 0 11.94 -999 ? CO CO D 492 >ASP.D 306 27.57 5.29 5.57 27.36 6.46 3.87 27.46 5.87 4.72 2 0 4.34 -999 ? CO CO D 492 >THR.D 307 27.67 1.67 8.27 29.48 0.68 8.80 28.57 1.17 8.54 2 0 9.61 -999 ? CO CO D 492 >ASP.D 308 25.11 5.07 9.79 25.34 6.80 8.58 25.23 5.93 9.19 2 0 3.39 -999 ? CO CO D 492 >GLN.D 309 28.05 0.60 12.94 29.80 -0.62 13.02 28.93 -0.01 12.98 2 0 12.41 -999 ? CO CO D 492 >PHE.D 310 24.34 4.20 18.15 21.72 5.00 17.59 23.03 4.60 17.87 3 0 12.57 -999 ? CO CO D 492 >PRO.D 311 29.01 7.46 18.90 29.45 5.38 18.24 29.23 6.42 18.57 3 0 12.56 -999 ? CO CO D 492 >THR.D 312 31.57 2.98 21.01 30.39 1.26 20.44 30.98 2.12 20.73 2 0 16.49 -999 ? CO CO D 492 >ASN.D 313 35.81 3.54 19.27 37.90 3.28 19.11 36.86 3.41 19.19 2 0 18.07 -999 ? CO CO D 492 >VAL~D 314 37.03 5.92 23.29 37.13 4.91 25.26 37.08 5.42 24.28 3 0 20.98 -999 ? CO CO D 492 >TYR~D 315 41.76 4.61 21.25 43.27 2.86 22.82 42.52 3.73 22.03 3 0 21.75 -999 ? CO CO A 492 >ASP~D 316 36.86 7.48 17.57 37.70 6.02 16.29 37.28 6.75 16.93 2 0 15.28 -999 ? CO CO D 492 >THR~D 317 35.74 10.17 20.84 34.56 8.77 21.94 35.15 9.47 21.39 2 0 17.08 -999 ? CO CO D 491 >THR~D 318 38.84 11.42 22.64 40.18 10.67 24.13 39.51 11.05 23.39 2 0 21.92 -999 ? CO CO D 491 >LEU~D 319 41.35 11.89 18.47 43.03 10.80 19.38 42.19 11.35 18.92 3 0 20.11 -999 ? CO CO D 492 >ALA~D 320 37.38 14.14 18.18 36.10 13.36 17.98 36.74 13.75 18.08 2 0 14.58 -999 ? CO CO D 491 >MET~D 321 36.52 15.97 21.39 33.48 15.86 21.64 35.00 15.91 21.51 2 0 15.90 -999 ? CO CO D 491 >TYR~D 322 42.63 17.03 21.53 45.00 18.49 21.66 43.81 17.76 21.59 3 0 23.35 -999 ? CO CO D 491 >GLU~D 323 40.27 17.41 16.71 42.28 18.09 16.57 41.28 17.75 16.64 2 0 19.66 -999 ? CO CO D 491 >VAL~D 324 36.27 20.60 19.71 34.24 19.78 19.77 35.25 20.19 19.74 3 0 16.77 -999 ? CO CO D 491 >ILE~D 325 38.32 20.79 24.11 38.35 20.21 25.42 38.34 20.50 24.77 3 0 22.29 -999 ? CO CO D 491 >LYS~D 326 40.67 23.30 21.16 45.72 23.64 22.02 43.20 23.47 21.59 2 0 26.85 -999 ? CO CO D 491 >ALA~D 327 38.22 25.03 18.79 37.27 24.31 17.84 37.75 24.67 18.32 2 0 19.03 -999 ? CO CO D 491 >GLY.D 328 36.56 26.49 21.86 36.22 25.79 21.58 36.39 26.14 21.72 1 0 22.15 -999 ? CO CO D 491 >GLY.D 329 33.65 24.09 22.23 33.79 24.60 21.56 33.72 24.35 21.90 1 0 19.60 -999 ? CO CO D 491 >PHE.D 330 29.69 21.87 20.05 30.42 19.25 19.31 30.06 20.56 19.68 3 0 14.38 -999 ? CO CO D 491 >THR.D 331 28.58 27.50 19.41 29.44 29.33 18.71 29.01 28.42 19.06 2 0 19.68 -999 ? CO CO D 491 >LYS.D 332 25.68 26.79 17.08 23.01 31.53 16.57 24.35 29.16 16.82 2 0 20.24 -999 ? CO CO D 491 >GLY.D 333 26.23 23.05 16.78 26.25 23.24 17.60 26.24 23.15 17.19 1 0 13.03 -999 ? CO CO D 491 >GLY.D 334 26.57 19.80 18.68 26.61 19.58 17.88 26.59 19.69 18.28 1 0 12.33 -999 ? CO CO D 491 >LEU.D 335 27.43 15.27 19.77 29.55 15.31 20.18 28.49 15.29 19.97 3 0 12.24 -999 ? CO CO D 491 >ASN.D 336 23.41 15.63 15.15 21.73 14.65 14.29 22.57 15.14 14.72 2 0 6.94 -999 ? CO CO D 491 >PHE.D 337 23.93 10.26 18.88 25.67 10.20 21.06 24.80 10.23 19.97 3 0 11.92 -999 ? CO CO D 491 >ASP.D 338 24.16 11.39 11.77 23.49 10.99 9.82 23.82 11.19 10.80 2 0 -3.03 -999 ? CO CO D 491s >ALA.D 339 23.71 6.79 13.59 24.56 6.52 14.83 24.14 6.66 14.21 2 0 8.77 -999 ? CO CO D 492 >LYS.D 340 21.31 3.83 13.49 21.65 1.99 7.45 21.48 2.91 10.47 2 0 8.85 -999 ? CO CO D 492 >VAL.D 341 20.83 0.45 15.17 18.84 0.44 16.11 19.84 0.44 15.64 3 0 14.23 -999 ? CO CO D 492 >ARG.D 342 25.17 -2.63 13.40 25.03 -0.24 11.48 25.10 -1.44 12.44 2 0 10.90 -999 ? CO CO D 492 >ARG.D 343 18.52 -5.80 7.97 16.92 -8.22 7.02 17.72 -7.01 7.50 2 0 20.04 -999 ? CO CO D 492 >ALA.D 344 19.26 -7.25 14.04 20.35 -8.31 14.10 19.80 -7.78 14.07 2 0 20.16 -999 ? CO CO D 492 >SER.D 345 19.05 -4.80 16.96 21.39 -4.47 17.41 20.22 -4.63 17.19 2 0 18.23 -999 ? CO CO D 492 >TYR.D 346 14.21 -6.67 15.72 13.17 -8.94 16.97 13.69 -7.81 16.34 3 0 23.11 -999 ? CO CO D 493 >LYS.D 347 13.76 -4.08 19.44 12.17 -9.67 21.49 12.96 -6.87 20.46 2 0 22.56 -999 ? CO CO D 493 >VAL~D 348 12.68 -0.70 20.85 10.72 0.22 21.12 11.70 -0.24 20.98 3 0 15.40 -999 ? CO CO D 493 >GLU~D 349 14.74 -3.55 24.25 12.59 -4.03 23.80 13.66 -3.79 24.02 2 0 18.32 -999 ? CO CO D 493 >ASP~D 350 18.10 -2.20 20.20 18.11 -4.22 20.80 18.11 -3.21 20.50 2 0 21.26 -999 ? CO CO D 492 >LEU~D 351 15.84 2.88 19.88 15.18 3.69 18.02 15.51 3.29 18.95 3 0 17.32 -999 ? CO CO D 491 >PHE~D 352 15.49 3.87 24.81 13.19 5.43 24.51 14.34 4.65 24.66 3 0 15.29 -999 ? CO CO D 493 >ILE~D 353 20.70 -0.40 24.26 20.93 -1.73 24.78 20.82 -1.06 24.52 3 0 21.37 -999 ? CO CO D 492 >GLY~D 354 22.39 2.38 21.20 22.10 2.80 21.85 22.24 2.59 21.52 1 0 16.56 -999 ? CO CO D 492 >HIS~D 355 20.13 7.22 20.79 19.32 7.63 18.90 19.72 7.43 19.84 3 0 13.86 -999 ? CO CO D 491 >ILE~D 356 22.49 4.57 26.72 21.88 4.30 28.00 22.18 4.44 27.36 3 0 21.05 -999 ? CO CO D 491 >ALA~D 357 26.29 3.77 24.47 26.31 2.56 23.58 26.30 3.17 24.02 2 0 18.19 -999 ? CO CO D 492 >GLY~D 358 27.11 6.66 22.14 26.91 6.69 22.94 27.01 6.67 22.54 1 0 15.31 -999 ? CO CO D 491 >MET~D 359 26.51 9.24 24.84 22.46 9.74 24.90 24.49 9.49 24.87 2 0 17.03 -999 ? CO CO D 491 >ASP~D 360 28.49 5.95 27.84 27.26 5.77 29.57 27.87 5.86 28.70 2 0 22.50 -999 ? CO CO D 491 >THR~D 361 31.55 6.97 24.91 31.94 5.45 23.44 31.74 6.21 24.18 2 0 18.07 -999 ? CO CO D 492 >PHE~D 362 30.83 11.41 21.56 31.70 11.59 18.90 31.27 11.50 20.23 3 0 13.43 -999 ? CO CO D 491 >ALA~D 363 31.11 11.76 27.50 30.03 11.34 28.50 30.57 11.55 28.00 2 0 20.76 -999 ? CO CO D 491 >LEU~D 364 34.19 8.20 28.60 35.65 7.01 29.65 34.92 7.60 29.13 3 0 23.58 -999 ? CO CO D 491 >GLY~D 365 36.10 10.83 25.58 35.71 11.29 26.16 35.90 11.06 25.87 1 0 20.52 -999 ? CO CO D 491 >PHE~D 366 33.85 16.41 27.16 33.99 18.98 28.26 33.92 17.70 27.71 3 0 21.70 -999 ? CO CO D 491 >LYS~D 367 36.67 13.93 29.85 33.20 12.88 34.77 34.93 13.40 32.31 2 0 27.58 -999 ? CO CO D 491 >VAL~D 368 39.90 12.32 28.59 40.50 10.31 27.96 40.20 11.31 28.27 3 0 25.01 -999 ? CO CO D 491 >ALA~D 369 40.38 15.15 26.08 39.45 15.44 24.91 39.91 15.29 25.50 2 0 21.99 -999 ? CO CO D 491 >TYR~D 370 38.26 18.87 30.56 38.10 21.23 32.05 38.18 20.05 31.31 3 0 27.26 -999 ? CO CO D 491 >LYS~D 371 42.60 16.36 30.85 41.67 13.09 34.76 42.13 14.72 32.80 2 0 31.12 -999 ? CO CO D 491 >LEU~D 372 44.58 15.51 26.49 45.14 13.56 25.79 44.86 14.54 26.14 3 0 26.58 -999 ? CO CO D 491 >VAL~D 373 44.07 19.80 27.12 42.62 20.73 25.79 43.35 20.27 26.45 3 0 26.63 -999 ? CO CO D 491 >LYS~D 374 44.35 20.95 30.73 41.61 21.31 36.39 42.98 21.13 33.56 2 0 33.50 -999 ? CO CO D 491 >ASP~D 375 47.93 17.80 31.75 47.00 17.02 33.49 47.46 17.41 32.62 2 0 33.52 -999 ? CO CO D 491 >GLY.D 376 48.69 20.63 28.16 48.89 19.92 28.50 48.79 20.27 28.33 1 0 31.67 -999 ? CO CO D 491 >VAL~D 377 50.78 17.47 27.70 50.39 15.32 27.77 50.58 16.40 27.74 3 0 31.67 -999 ? CO CO A 492 >LEU~D 378 49.35 17.01 23.04 48.70 14.99 22.53 49.02 16.00 22.79 3 0 28.06 -999 ? CO CO D 491 >ASP~D 379 49.90 22.24 24.07 47.92 22.11 23.29 48.91 22.18 23.68 2 0 28.68 -999 ? CO CO D 491 >LYS~D 380 54.16 21.24 25.33 52.27 21.54 31.21 53.22 21.39 28.27 2 0 36.45 -999 ? CO CO D 491 >PHE~D 381 55.96 16.33 21.91 57.41 15.12 19.83 56.69 15.73 20.87 3 0 27.22 -999 ? CO CO A 492 >ILE~D 382 53.19 20.62 19.60 52.14 20.52 18.62 52.67 20.57 19.11 3 0 30.49 -999 ? CO CO D 491 >GLU~D 383 56.36 25.47 23.28 55.72 26.12 25.20 56.04 25.79 24.24 2 0 37.26 -999 ? CO CO D 491 >LYS~D 385 59.31 20.28 18.68 56.22 17.25 14.07 57.76 18.77 16.37 2 0 26.23 -999 ? CO CO A 492 >TYR.D 386 56.88 22.88 15.37 55.31 20.94 14.13 56.09 21.91 14.75 3 0 30.90 -999 ? CO CO A 492 >ARG~D 387 63.40 24.63 22.05 65.30 24.41 24.44 64.35 24.52 23.25 2 0 33.22 -999 ? CO CO A 493 >SER~D 388 63.91 26.49 16.36 63.88 24.96 14.46 63.89 25.73 15.41 2 0 35.13 -999 ? CO CO A 492 >PHE~D 389 60.35 27.33 12.78 61.01 25.66 10.62 60.68 26.50 11.70 3 0 35.49 -999 ? CO CO A 492 >GLU.D 391 65.54 29.91 20.13 66.74 28.41 21.06 66.14 29.16 20.59 2 0 36.41 -999 ? CO CO A 493 >GLY~D 392 67.69 32.52 15.39 66.98 32.52 15.32 67.33 32.52 15.36 1 0 40.82 -999 ? CO CO A 493 >ILE~D 393 68.13 31.47 10.67 68.15 31.54 9.84 68.14 31.50 10.25 3 0 41.27 -999 ? CO CO A 493 >GLY~D 394 63.99 30.36 12.38 64.17 31.17 12.39 64.08 30.76 12.39 1 0 40.02 -999 ? CO CO A 492 >ASP~D 396 65.29 35.48 10.20 66.52 36.74 11.39 65.91 36.11 10.79 2 0 46.08 -999 ? CO CO A 493 >ILE~D 397 62.31 31.45 8.41 62.66 30.19 7.85 62.48 30.82 8.13 3 0 39.91 -999 ? CO CO A 492 >VAL~D 398 58.68 33.25 10.02 57.77 32.20 11.70 58.22 32.73 10.86 3 0 38.56 -999 ? CO CO D 491 >GLY.D 400 59.84 37.25 6.60 60.38 37.50 7.15 60.11 37.37 6.87 1 0 42.33 -999 ? CO CO D 491 >VAL.D 402 64.83 35.90 4.99 65.80 34.20 5.94 65.32 35.05 5.47 3 0 44.76 -999 ? CO CO A 492 >ASP.D 403 65.08 36.08 0.30 67.06 36.94 0.29 66.07 36.51 0.30 2 0 47.60 -999 ? CO CO A 492 >PHE~D 404 65.04 30.58 -2.12 62.93 28.75 -2.24 63.99 29.66 -2.18 3 0 40.47 -999 ? CO CO A 492 >GLU~D 405 69.50 35.08 -3.32 69.53 36.88 -4.44 69.51 35.98 -3.88 2 0 49.26 -999 ? CO CO A 492 >LEU~D 407 67.82 30.48 3.09 66.17 30.43 4.47 66.99 30.46 3.78 3 0 40.97 -999 ? CO CO A 492 >GLU~D 408 73.12 29.37 -1.15 73.07 29.46 -3.26 73.09 29.41 -2.20 2 0 43.65 -999 ? CO CO A 492 >TYR~D 410 71.76 30.15 8.15 71.44 28.67 10.51 71.60 29.41 9.33 3 0 38.82 -999 ? CO CO A 493 >ILE~D 411 71.95 26.48 4.91 72.15 25.07 4.66 72.05 25.78 4.79 3 0 37.74 -999 ? CO CO A 493 >ASP.D 413 79.81 26.12 5.15 80.84 26.86 3.44 80.33 26.49 4.29 2 0 38.35 -999 ? CO CO A 493 >THR.D 416 75.44 18.22 10.25 76.09 16.41 11.20 75.77 17.32 10.72 2 0 25.79 -999 ? CO CO A 493 >ILE.D 417 70.91 19.50 10.00 70.16 20.39 9.14 70.54 19.94 9.57 3 0 30.98 -999 ? CO CO A 493 >LEU.D 419 66.49 15.76 13.17 65.95 16.58 11.24 66.22 16.17 12.20 3 0 27.47 -999 ? CO CO A 492 >PRO.D 420 63.60 17.90 16.77 64.68 15.95 16.60 64.14 16.92 16.68 3 0 28.34 -999 ? CO CO A 492 >SER.D 421 62.76 12.20 17.39 62.14 10.06 18.35 62.45 11.13 17.87 2 0 22.36 -999 ? CO CO A 492 >GLY.D 422 59.10 12.15 16.38 59.39 11.78 17.08 59.24 11.97 16.73 1 0 22.50 -999 ? CO CO A 492 >LYS.D 423 58.13 10.24 19.51 62.25 9.47 22.64 60.19 9.86 21.08 2 0 23.65 -999 ? CO CO A 493 >GLN~D 424 53.27 7.96 16.26 52.92 7.42 14.25 53.09 7.69 15.26 2 0 16.84 -999 ? CO CO A 492 >GLU~D 425 56.43 3.73 18.62 57.49 4.77 17.09 56.96 4.25 17.86 2 0 16.10 -999 ? CO CO A 492 >TYR~D 426 56.59 9.44 24.62 56.21 10.81 27.01 56.40 10.12 25.82 3 0 25.55 -999 ? CO CO A 492 >LEU~D 427 52.49 10.98 21.16 54.02 12.49 21.31 53.26 11.74 21.24 3 0 23.89 -999 ? CO CO A 492 >GLU~D 428 50.30 6.72 19.21 50.43 5.30 17.64 50.37 6.01 18.42 2 0 16.95 -999 ? CO CO A 492 >SER~D 429 51.20 5.43 25.00 53.48 6.05 25.66 52.34 5.74 25.33 2 0 22.60 -999 ? CO CO A 492 >LEU~D 430 50.83 10.18 26.14 52.28 11.28 27.31 51.56 10.73 26.72 3 0 26.66 -999 ? CO CO A 492 >ILE~D 431 46.31 8.54 23.74 46.19 9.20 23.18 46.25 8.87 23.46 3 0 24.30 -999 ? CO CO A 492 >ASN~D 432 47.38 4.09 26.71 46.66 3.06 24.98 47.02 3.57 25.85 2 0 21.63 -999 ? CO CO A 492 >SER~D 433 47.80 6.78 30.24 50.14 6.38 30.42 48.97 6.58 30.33 2 0 26.93 -999 ? CO CO A 492 >TYR~D 434 46.22 11.82 29.77 48.03 13.69 30.78 47.13 12.76 30.27 3 0 31.04 -999 ? CO CO D 491 >ILE~D 435 42.37 6.05 28.35 41.67 5.51 27.20 42.02 5.78 27.77 3 0 26.51 -999 ? CO CO D 492 >VAL~D 436 43.60 5.23 32.62 44.98 3.58 33.01 44.29 4.40 32.82 3 0 29.43 -999 ? CO CO A 492 >LYS~D 437 44.05 8.48 34.62 48.69 12.66 33.80 46.37 10.57 34.21 2 0 33.53 -999 ? CO CO A 492 >THR~D 438 40.54 9.73 33.80 39.96 10.92 32.11 40.25 10.33 32.96 2 0 28.06 -999 ? CO CO D 491 >ILE~D 439 39.19 5.06 33.88 38.79 3.85 33.18 38.99 4.45 33.53 3 0 29.99 -999 ? CO CO D 491 >LEU~D 440 41.87 6.49 38.37 43.08 4.68 38.31 42.47 5.58 38.34 3 0 35.21 -999 ? CO CO A 492 >GLU~D 441 40.84 11.39 38.37 41.63 13.20 37.61 41.23 12.29 37.99 2 0 33.56 -999 ? CO CO D 491 >LEU.D 442 35.27 7.68 36.28 35.39 8.38 34.23 35.33 8.03 35.26 3 0 29.18 -999 ? CO CO D 491