REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUL-01 1JOP COMPND YHCH PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: PROTEIN HI0227; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; SOURCE 3 ORGANISM_TAXID: 727; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.TEPLYAKOV,G.OBMOLOVA,G.L.GILLILAND,STRUCTURE 2 FUNCTION AUTHOR 2 PROJECT (S2F) HET HG A 201 1 HET HG A 202 1 HET HG A 203 1 HET HG B 201 1 HET HG B 202 1 HET HG B 203 1 HET HG C 201 1 HET HG C 202 1 HET HG C 203 1 HET HG D 201 1 HET HG D 202 1 HET HG D 203 1 SITE 1 AC1 5 ILE A 19 VAL A 22 CYS A 23 VAL A 71 SITE 1 AC2 6 GLU A 63 HIS A 65 ASP A 70 HIS A 130 SITE 1 AC3 3 CYS A 105 ALA A 106 ASP A 107 SITE 1 AC4 4 ILE B 19 VAL B 22 CYS B 23 HOH B 206 SITE 1 AC5 6 GLU B 63 HIS B 65 ASP B 70 HIS B 130 SITE 1 AC6 3 CYS B 105 ALA B 106 ASP B 107 SITE 1 AC7 3 LEU C 6 CYS C 23 HOH C 225 SITE 1 AC8 4 HIS C 65 ASP C 70 HIS C 130 HOH C 205 SITE 1 AC9 4 LYS C 92 TYR C 93 CYS C 105 ASP C 107 SITE 1 BC1 4 LEU D 6 CYS D 23 PHE D 121 HOH D 206 SITE 1 BC2 5 GLU D 63 HIS D 65 ASP D 70 HIS D 130 SITE 1 BC3 3 CYS D 105 ASP D 107 HOH D 211 >MET.A 1 4.28 63.13 30.45 7.89 64.62 29.10 6.09 63.87 29.78 2 0 12.06 -999 ? HG HG A 202 >ILE^A 2 4.28 58.49 30.66 3.44 57.50 31.35 3.86 58.00 31.00 3 0 9.28 -999 ? HG HG A 201 >ILE^A 3 9.64 58.90 29.19 10.56 59.75 28.53 10.10 59.33 28.86 3 0 12.87 -999 ? HG HG A 201 >SER^A 4 9.15 54.26 29.53 8.43 52.46 30.94 8.79 53.36 30.24 2 0 10.35 -999 ? HG HG A 201 >SER^A 5 9.93 51.11 27.50 11.70 50.09 26.25 10.82 50.60 26.87 2 0 11.84 -999 ? HG HG A 201 >LEU.A 6 7.13 48.16 24.58 5.27 49.31 23.74 6.20 48.74 24.16 3 0 7.02 -999 ? HG HG A 201 >THR.A 7 10.61 46.27 26.88 12.36 45.92 25.53 11.49 46.10 26.21 2 0 13.78 -999 ? HG HG A 201 >ASN.A 8 11.36 47.96 31.31 10.92 49.93 30.62 11.14 48.94 30.97 2 0 12.49 -999 ? HG HG A 201 >PRO.A 9 11.33 44.41 33.75 9.53 44.71 32.43 10.43 44.56 33.09 3 0 15.34 -999 ? HG HG A 201 >ASN.A 10 7.94 47.16 36.16 7.97 45.54 37.56 7.96 46.35 36.86 2 0 16.48 -999 ? HG HG A 201 >PHE.A 11 5.77 48.64 30.14 3.77 47.03 28.90 4.77 47.83 29.52 3 0 8.01 -999 ? HG HG A 201 >LYS.A 12 2.85 48.97 33.20 -0.69 45.35 30.82 1.08 47.16 32.01 2 0 9.27 -999 ? HG HG A 201 >VAL.A 13 3.31 50.43 36.76 4.42 49.86 38.58 3.86 50.14 37.67 3 0 13.64 -999 ? HG HG A 201 >GLY.A 14 1.31 53.59 37.17 1.15 53.12 36.61 1.23 53.35 36.89 1 0 12.59 -999 ? HG HG A 201 >LEU.A 15 0.15 52.82 32.59 1.91 53.04 31.59 1.03 52.93 32.09 3 0 7.46 -999 ? HG HG A 201 >PRO~A 16 -2.62 56.52 32.43 -3.03 54.47 33.09 -2.82 55.49 32.76 3 0 9.17 -999 ? HG HG A 201 >LYS~A 17 -5.39 51.16 32.05 -8.67 51.12 37.37 -7.03 51.14 34.71 2 0 15.48 -999 ? HG HG A 201 >VAL~A 18 -6.24 52.23 28.58 -7.77 53.44 27.97 -7.01 52.83 28.27 3 0 8.03 -999 ? HG HG A 201 >ILE~A 19 -1.88 54.21 28.16 -1.21 55.48 27.99 -1.54 54.85 28.08 3 0 -4.57 -999 ? HG HG A 201s >ALA~A 20 -1.81 49.90 29.36 -2.06 49.67 30.81 -1.93 49.78 30.09 2 0 7.00 -999 ? HG HG A 201 >GLU~A 21 -6.82 47.25 28.32 -8.76 48.18 28.58 -7.79 47.71 28.45 2 0 10.56 -999 ? HG HG A 201 >VAL~A 22 -2.74 49.00 24.42 -2.80 50.62 23.00 -2.77 49.81 23.71 3 0 -3.96 -999 ? HG HG A 201s >CYH~A 23 0.95 48.64 25.18 2.27 51.05 25.91 1.61 49.84 25.55 2 0 -2.72 -999 ? HG HG A 201s >ASP~A 24 -1.30 44.36 26.70 -1.07 44.60 28.81 -1.19 44.48 27.76 2 0 8.79 -999 ? HG HG A 201 >TYR~A 25 -3.03 45.21 20.43 -3.50 45.43 17.65 -3.26 45.32 19.04 3 0 9.61 -999 ? HG HG A 201 >LEU~A 26 2.28 47.71 20.96 1.29 49.56 20.58 1.78 48.63 20.77 3 0 5.60 -999 ? HG HG A 201 >ASN~A 27 3.81 43.52 23.86 5.22 44.87 24.71 4.52 44.20 24.29 2 0 8.97 -999 ? HG HG A 201 >THR~A 28 1.58 41.37 20.30 -0.38 40.54 20.45 0.60 40.95 20.37 2 0 10.14 -999 ? HG HG C 203 >LEU~A 29 1.95 44.42 16.68 -0.15 44.82 17.03 0.90 44.62 16.86 3 0 10.99 -999 ? HG HG A 201 >ASP~A 30 5.25 41.50 13.66 7.14 41.35 12.54 6.19 41.42 13.10 2 0 14.62 -999 ? HG HG B 201 >LEU~A 31 6.62 46.81 16.35 5.25 47.59 17.88 5.94 47.20 17.12 3 0 10.80 -999 ? HG HG A 201 >ASN~A 32 9.97 45.34 12.47 11.08 45.54 14.30 10.53 45.44 13.38 2 0 14.03 -999 ? HG HG B 201 >ALA~A 33 6.27 44.63 9.86 5.73 43.12 9.92 6.00 43.88 9.89 2 0 17.43 -999 ? HG HG B 201 >LEU~A 34 3.51 48.08 11.67 2.43 47.58 13.40 2.97 47.83 12.54 3 0 13.26 -999 ? HG HG A 201 >GLU.A 35 1.68 48.10 5.21 0.16 46.76 4.57 0.92 47.43 4.89 2 0 20.88 -999 ? HG HG A 201 >ASN.A 36 4.18 53.77 6.56 6.25 53.25 6.68 5.21 53.51 6.62 2 0 17.40 -999 ? HG HG A 202 >GLY^A 37 -0.12 54.42 7.51 0.10 54.17 8.32 -0.01 54.29 7.91 1 0 15.46 -999 ? HG HG A 202 >ARG^A 38 -6.61 56.32 10.12 -7.79 58.45 11.84 -7.20 57.39 10.98 2 0 13.32 -999 ? HG HG A 202 >HIS^A 39 -2.12 50.10 11.06 -0.54 49.46 9.82 -1.33 49.78 10.44 3 0 14.56 -999 ? HG HG A 201 >ASP^A 40 -8.87 51.38 12.93 -9.46 53.33 12.18 -9.17 52.35 12.56 2 0 15.84 -999 ? HG HG A 201 >ILE.A 41 -6.70 50.35 17.85 -5.64 50.46 18.95 -6.17 50.41 18.40 3 0 9.13 -999 ? HG HG A 201 >ASN.A 42 -11.05 50.58 19.99 -10.11 49.55 21.67 -10.58 50.06 20.83 2 0 11.06 -999 ? HG HG A 201 >ASP.A 43 -15.02 52.32 18.01 -16.15 51.01 16.76 -15.58 51.66 17.38 2 0 18.20 -999 ? HG HG A 201 >GLN.A 44 -13.22 54.79 21.07 -14.28 56.04 22.38 -13.75 55.41 21.73 2 0 15.11 -999 ? HG HG A 201 >ILE.A 45 -7.46 53.80 20.28 -7.11 53.37 21.37 -7.28 53.58 20.83 3 0 8.50 -999 ? HG HG A 201 >TYR^A 46 -6.50 56.78 14.72 -6.26 59.64 14.77 -6.38 58.21 14.75 3 0 11.14 -999 ? HG HG A 202 >MET^A 47 -2.49 54.30 15.10 -0.35 51.08 16.23 -1.42 52.69 15.67 2 0 8.58 -999 ? HG HG A 201 >ASN^A 48 -0.35 57.50 12.49 -2.29 58.19 12.05 -1.32 57.85 12.27 2 0 10.24 -999 ? HG HG A 202 >VAL^A 49 2.93 54.35 11.57 3.10 52.26 11.60 3.01 53.31 11.59 3 0 13.47 -999 ? HG HG A 201 >MET^A 50 5.42 56.58 9.78 4.03 59.39 12.51 4.72 57.98 11.14 2 0 8.67 -999 ? HG HG A 202 >GLU.A 51 9.45 53.97 8.14 9.84 52.60 6.63 9.65 53.29 7.39 2 0 19.12 -999 ? HG HG A 202 >PRO.A 52 10.79 60.16 9.63 10.30 59.15 7.70 10.54 59.65 8.66 3 0 14.47 -999 ? HG HG A 202 >LYS.A 61 7.84 73.65 14.71 5.52 75.81 9.71 6.68 74.73 12.21 2 0 10.89 -999 ? HG HG A 203 >ALA^A 62 6.47 72.23 17.85 7.00 72.50 19.23 6.73 72.37 18.54 2 0 6.11 -999 ? HG HG A 203 >GLU^A 63 2.08 69.29 16.52 2.09 67.30 15.86 2.08 68.29 16.19 2 0 -3.87 -999 ? HG HG A 202s >LEU^A 64 0.59 71.20 22.06 -0.99 72.62 22.48 -0.20 71.91 22.27 3 0 8.09 -999 ? HG HG A 202 >HIS.A 65 -1.98 66.63 20.15 -0.44 66.00 18.86 -1.21 66.32 19.50 3 0 -3.26 -999 ? HG HG A 202s >HIS.A 66 -6.89 71.58 22.02 -6.25 73.53 21.55 -6.57 72.56 21.78 3 0 11.64 -999 ? HG HG A 202 >GLU.A 67 -10.10 67.24 20.36 -11.02 67.08 18.35 -10.56 67.16 19.35 2 0 12.84 -999 ? HG HG A 202 >TYR^A 68 -6.87 62.39 19.85 -9.11 61.76 18.39 -7.99 62.07 19.12 3 0 9.99 -999 ? HG HG A 202 >LEU^A 69 -2.92 61.30 25.32 -3.10 59.21 25.44 -3.01 60.25 25.38 3 0 8.61 -999 ? HG HG A 201 >ASP^A 70 1.18 61.28 21.37 0.58 62.87 20.04 0.88 62.08 20.70 2 0 -2.53 -999 ? HG HG A 202s >VAL^A 71 1.57 57.42 22.88 0.79 55.84 23.99 1.18 56.63 23.43 3 0 -4.65 -999 ? HG HG A 201s >GLN^A 72 5.01 60.02 20.89 5.36 61.35 19.25 5.19 60.69 20.07 2 0 5.14 -999 ? HG HG A 202 >VAL^A 73 6.74 54.40 20.21 5.63 52.64 20.81 6.19 53.52 20.51 3 0 7.45 -999 ? HG HG A 201 >LEU^A 74 11.31 54.76 19.13 12.91 55.40 18.03 12.11 55.08 18.58 3 0 13.72 -999 ? HG HG A 201 >ILE^A 75 9.28 50.70 15.61 8.12 50.19 15.13 8.70 50.44 15.37 3 0 12.78 -999 ? HG HG A 201 >ARG^A 76 14.19 48.59 12.22 15.46 48.74 9.45 14.83 48.67 10.83 2 0 16.25 -999 ? HG HG B 201 >GLY.A 77 16.33 54.20 14.95 16.08 53.88 15.73 16.21 54.04 15.34 1 0 18.56 -999 ? HG HG A 202 >THR.A 78 17.01 56.70 17.68 18.79 56.70 18.82 17.90 56.70 18.25 2 0 18.89 -999 ? HG HG D 203 >GLU^A 79 13.07 60.82 16.88 10.97 60.86 16.89 12.02 60.84 16.89 2 0 10.35 -999 ? HG HG A 202 >ASN^A 80 16.40 64.00 19.89 18.25 63.22 20.44 17.33 63.61 20.17 2 0 16.80 -999 ? HG HG A 202 >ILE^A 81 10.83 63.72 21.31 9.96 62.95 21.22 10.40 63.34 21.26 3 0 9.25 -999 ? HG HG A 202 >GLU^A 82 13.30 69.84 21.84 14.38 70.91 20.39 13.84 70.37 21.12 2 0 10.62 -999 ? HG HG A 203 >VAL^A 83 9.09 68.18 24.91 9.19 66.30 26.11 9.14 67.24 25.51 3 0 10.37 -999 ? HG HG A 202 >GLY.A 84 7.87 70.65 27.43 7.40 70.02 27.36 7.64 70.33 27.39 1 0 10.78 -999 ? HG HG A 203 >ALA.A 85 6.23 70.06 30.67 6.80 69.04 31.66 6.52 69.55 31.16 2 0 11.66 -999 ? HG HG D 201 >THR.A 86 5.25 73.50 31.77 6.30 75.15 32.61 5.78 74.33 32.19 2 0 12.94 -999 ? HG HG A 203 >TYR.A 87 -0.63 74.86 30.60 -3.11 74.90 29.37 -1.87 74.88 29.98 3 0 13.75 -999 ? HG HG A 203 >PRO.A 88 0.53 75.24 26.23 2.17 75.78 27.65 1.35 75.51 26.94 3 0 9.35 -999 ? HG HG A 203 >ASN~A 89 3.02 81.07 26.60 2.36 83.21 26.42 2.69 82.14 26.51 2 0 9.09 -999 ? HG HG A 203 >LEU~A 90 -2.40 79.39 24.74 -2.99 77.44 25.07 -2.70 78.41 24.91 3 0 10.81 -999 ? HG HG A 203 >SER~A 91 -0.95 83.25 23.20 0.38 84.96 24.20 -0.28 84.11 23.70 2 0 10.08 -999 ? HG HG A 203 >LYS~A 92 2.20 82.68 21.18 7.76 82.03 23.73 4.98 82.35 22.45 2 0 5.05 -999 ? HG HG A 203 >TYR~A 93 0.89 77.51 20.79 2.60 75.53 21.63 1.75 76.52 21.21 3 0 5.74 -999 ? HG HG A 203 >GLU.A 94 1.40 79.26 14.24 2.47 78.05 12.84 1.94 78.65 13.54 2 0 8.61 -999 ? HG HG A 203 >ASP.A 95 -5.25 79.36 16.03 -5.25 80.75 14.48 -5.25 80.05 15.25 2 0 13.68 -999 ? HG HG A 203 >TYR.A 96 -7.30 73.81 18.09 -8.51 71.36 18.59 -7.90 72.58 18.34 3 0 12.28 -999 ? HG HG A 202 >ASN.A 97 -5.80 72.61 12.82 -6.48 71.64 11.08 -6.14 72.12 11.95 2 0 13.09 -999 ? HG HG A 202 >GLU.A 98 -12.22 72.56 15.94 -13.25 74.44 15.91 -12.73 73.50 15.93 2 0 17.93 -999 ? HG HG A 202 >ALA.A 99 -9.63 68.84 12.13 -9.40 69.06 10.68 -9.51 68.95 11.40 2 0 14.32 -999 ? HG HG A 202 >ASP.A 100 -5.04 67.43 12.39 -5.02 66.30 10.60 -5.03 66.87 11.49 2 0 10.65 -999 ? HG HG A 202 >ASP.A 101 -6.67 67.17 17.66 -6.92 67.68 19.67 -6.79 67.42 18.66 2 0 9.03 -999 ? HG HG A 202 >TYR.A 102 -2.27 70.45 14.73 -2.06 71.25 12.08 -2.16 70.85 13.41 3 0 8.92 -999 ? HG HG A 202 >GLN^A 103 -3.14 74.78 19.08 -3.53 76.02 20.70 -3.34 75.40 19.89 2 0 10.86 -999 ? HG HG A 203 >LEU^A 104 2.23 74.80 15.06 1.83 73.08 13.84 2.03 73.94 14.45 3 0 8.86 -999 ? HG HG A 203 >CYH^A 105 4.61 77.32 17.89 5.30 78.74 20.52 4.95 78.03 19.20 2 0 -1.76 -999 ? HG HG A 203s >ALA.A 106 8.25 77.65 17.07 8.86 78.95 16.63 8.56 78.30 16.85 2 0 -3.99 -999 ? HG HG A 203s >ASP.A 107 9.76 78.52 20.99 11.41 79.28 19.91 10.59 78.90 20.45 2 0 -4.47 -999 ? HG HG A 203s >ILE.A 108 9.19 73.70 23.62 8.51 72.30 23.55 8.85 73.00 23.59 3 0 6.78 -999 ? HG HG A 203 >ASP.A 109 8.67 77.92 27.61 7.45 78.90 26.06 8.06 78.41 26.84 2 0 5.94 -999 ? HG HG A 203 >ASP.A 110 9.96 74.70 30.70 9.48 76.50 31.69 9.72 75.60 31.20 2 0 11.99 -999 ? HG HG A 203 >LYS.A 111 12.33 72.53 27.06 13.01 75.44 21.48 12.67 73.99 24.27 2 0 6.89 -999 ? HG HG A 203 >PHE^A 112 13.15 68.07 29.31 10.91 66.62 30.32 12.03 67.35 29.82 3 0 15.37 -999 ? HG HG A 202 >THR^A 113 15.32 66.66 25.12 16.57 66.82 23.35 15.95 66.74 24.24 2 0 15.46 -999 ? HG HG A 203 >VAL^A 114 14.22 63.00 25.45 12.42 62.17 26.36 13.32 62.59 25.90 3 0 13.87 -999 ? HG HG A 202 >THR^A 115 16.24 60.66 23.24 18.36 60.52 22.70 17.30 60.59 22.97 2 0 17.44 -999 ? HG HG D 203 >MET^A 116 14.19 57.61 22.29 10.68 58.72 23.18 12.44 58.16 22.73 2 0 11.78 -999 ? HG HG A 202 >LYS.A 117 15.61 54.24 21.66 21.29 53.67 22.68 18.45 53.95 22.17 2 0 13.81 -999 ? HG HG D 203 >PRO.A 118 15.67 51.02 18.86 14.31 51.75 20.41 14.99 51.38 19.63 3 0 15.70 -999 ? HG HG A 201 >LYS.A 119 11.27 50.21 22.83 15.15 45.52 22.39 13.21 47.87 22.61 2 0 13.41 -999 ? HG HG B 201 >MET^A 120 11.00 53.69 24.44 14.05 55.70 25.66 12.53 54.69 25.05 2 0 14.33 -999 ? HG HG A 201 >PHE^A 121 5.87 53.84 26.06 4.72 53.12 28.43 5.30 53.48 27.25 3 0 5.85 -999 ? HG HG A 201 >ALA^A 122 6.26 58.58 25.44 7.14 59.53 24.69 6.70 59.05 25.07 2 0 9.66 -999 ? HG HG A 202 >VAL^A 123 2.86 59.80 26.31 1.61 58.54 27.42 2.23 59.17 26.86 3 0 7.52 -999 ? HG HG A 201 >PHE^A 124 4.21 63.78 24.44 6.88 63.13 23.74 5.55 63.46 24.09 3 0 6.74 -999 ? HG HG A 202 >TYR.A 125 -1.52 63.32 29.59 -1.42 60.94 31.02 -1.47 62.13 30.30 3 0 11.45 -999 ? HG HG A 201 >PRO.A 126 -4.92 65.86 25.85 -2.88 66.58 25.90 -3.90 66.22 25.88 3 0 9.07 -999 ? HG HG A 202 >TYR.A 127 -3.17 71.87 26.40 -5.62 72.90 25.59 -4.39 72.39 26.00 3 0 12.03 -999 ? HG HG A 202 >GLU.A 128 2.11 67.32 28.66 2.45 65.30 29.30 2.28 66.31 28.98 2 0 10.54 -999 ? HG HG A 202 >PRO.A 129 4.96 71.76 25.26 3.81 70.03 24.38 4.39 70.89 24.82 3 0 8.98 -999 ? HG HG A 202 >HIS^A 130 4.71 66.40 21.31 2.64 66.19 21.02 3.68 66.29 21.17 3 0 -3.46 -999 ? HG HG A 202s >LYS^A 131 8.62 68.27 18.68 11.49 73.91 17.59 10.05 71.09 18.14 2 0 6.93 -999 ? HG HG A 203 >PRO^A 132 7.44 64.21 17.33 9.37 65.52 17.46 8.41 64.86 17.40 3 0 6.94 -999 ? HG HG A 202 >CYH^A 133 12.24 66.73 14.70 13.40 67.91 16.87 12.82 67.32 15.78 2 0 12.34 -999 ? HG HG A 202 >CYH^A 134 15.44 65.12 14.61 15.62 66.52 12.33 15.53 65.82 13.47 2 0 15.52 -999 ? HG HG A 202 >VAL.A 135 18.82 63.46 14.35 19.34 63.74 16.46 19.08 63.60 15.41 3 0 17.84 -999 ? HG HG A 202 >ILE.A 143 13.59 57.03 12.07 13.48 57.83 13.12 13.54 57.43 12.60 3 0 15.35 -999 ? HG HG A 202 >LYS^A 144 10.44 53.94 12.16 7.01 49.06 10.40 8.73 51.50 11.28 2 0 16.18 -999 ? HG HG A 201 >LYS^A 145 7.83 54.59 14.86 9.90 60.30 14.83 8.86 57.44 14.85 2 0 10.25 -999 ? HG HG A 202 >LEU^A 146 3.69 53.46 15.44 3.48 52.20 17.29 3.59 52.83 16.37 3 0 9.03 -999 ? HG HG A 201 >VAL^A 147 2.04 57.25 17.44 2.36 59.29 17.04 2.20 58.27 17.24 3 0 6.77 -999 ? HG HG A 202 >VAL^A 148 -1.13 55.99 18.99 -1.53 54.28 20.10 -1.33 55.14 19.54 3 0 6.09 -999 ? HG HG A 201 >LYS^A 149 -4.02 58.37 19.30 -1.41 63.37 17.28 -2.72 60.87 18.29 2 0 -3.69 -999 ? HG HG A 202s >VAL^A 150 -5.93 58.14 22.54 -5.33 56.59 23.87 -5.63 57.37 23.20 3 0 7.86 -999 ? HG HG A 201 >PRO^A 151 -10.16 58.60 22.60 -8.35 59.95 23.08 -9.26 59.27 22.84 3 0 11.88 -999 ? HG HG A 201 >VAL.A 152 -8.23 62.08 26.65 -7.61 64.14 26.77 -7.92 63.11 26.71 3 0 12.51 -999 ? HG HG A 202 >LYS~A 153 -11.73 61.14 27.61 -16.55 64.68 27.26 -14.14 62.91 27.44 2 0 20.03 -999 ? HG HG A 202 >LEU~A 154 -10.33 56.73 26.69 -11.85 55.94 25.45 -11.09 56.33 26.07 3 0 12.04 -999 ? HG HG A 201 >ILE~A 155 -7.15 58.75 30.32 -5.91 58.76 29.93 -6.53 58.75 30.13 3 0 10.78 -999 ? HG HG A 201 >MET.B 1 16.51 23.49 22.07 13.04 21.68 20.76 14.78 22.59 21.41 2 0 11.93 -999 ? HG HG B 202 >ILE^B 2 16.02 28.32 22.25 16.76 29.23 23.30 16.39 28.77 22.77 3 0 9.33 -999 ? HG HG B 201 >ILE^B 3 10.82 27.36 20.77 10.25 26.31 20.14 10.54 26.84 20.45 3 0 12.60 -999 ? HG HG B 201 >SER^B 4 10.59 31.80 21.07 11.61 33.67 22.16 11.10 32.73 21.62 2 0 10.00 -999 ? HG HG B 201 >SER^B 5 9.84 34.88 18.87 8.07 36.16 17.89 8.95 35.52 18.38 2 0 11.73 -999 ? HG HG B 201 >LEU.B 6 12.15 37.95 15.80 14.02 37.35 14.81 13.09 37.65 15.30 3 0 7.23 -999 ? HG HG B 201 >THR.B 7 8.51 39.43 17.89 6.52 39.73 17.23 7.51 39.58 17.56 2 0 14.08 -999 ? HG HG B 201 >ASN.B 8 8.96 38.13 22.56 7.53 36.63 21.93 8.24 37.38 22.25 2 0 13.51 -999 ? HG HG B 201 >PRO.B 9 7.77 42.48 24.50 9.71 41.63 23.72 8.74 42.06 24.11 3 0 13.35 -999 ? HG HG A 201 >ASN.B 10 11.88 39.67 27.83 11.72 41.64 28.75 11.80 40.65 28.29 2 0 16.22 -999 ? HG HG A 201 >PHE.B 11 13.70 38.39 21.39 15.69 39.61 19.91 14.69 39.00 20.65 3 0 8.01 -999 ? HG HG B 201 >LYS.B 12 16.53 37.88 24.71 18.88 42.90 22.98 17.70 40.39 23.85 2 0 10.86 -999 ? HG HG B 201 >VAL.B 13 16.45 36.76 28.22 15.54 37.01 30.01 15.99 36.88 29.12 3 0 13.67 -999 ? HG HG B 201 >GLY.B 14 18.49 33.68 28.51 18.67 34.16 27.94 18.58 33.92 28.22 1 0 12.45 -999 ? HG HG B 201 >LEU.B 15 19.19 34.27 23.75 17.21 33.97 23.01 18.20 34.12 23.38 3 0 7.38 -999 ? HG HG B 201 >PRO~B 16 23.49 31.37 23.86 22.84 33.46 24.48 23.17 32.42 24.17 3 0 9.06 -999 ? HG HG B 201 >LYS~B 17 25.26 36.58 22.86 28.03 38.92 26.78 26.65 37.75 24.82 2 0 14.32 -999 ? HG HG B 201 >VAL~B 18 26.00 35.17 19.50 27.48 33.84 18.79 26.74 34.50 19.15 3 0 7.79 -999 ? HG HG B 201 >ILE~B 19 21.72 33.06 19.65 21.04 31.79 19.59 21.38 32.42 19.62 3 0 -4.45 -999 ? HG HG B 201s >ALA~B 20 21.02 37.27 20.55 21.01 37.68 22.03 21.02 37.47 21.29 2 0 6.86 -999 ? HG HG B 201 >GLU~B 21 26.21 39.49 19.51 28.16 38.90 18.81 27.19 39.20 19.16 2 0 10.03 -999 ? HG HG B 201 >VAL~B 22 22.19 37.67 15.45 22.89 36.06 14.17 22.54 36.87 14.81 3 0 -4.03 -999 ? HG HG B 201s >CYH~B 23 18.54 37.73 16.34 17.61 35.26 17.11 18.08 36.50 16.72 2 0 -2.30 -999 ? HG HG B 201s >ASP~B 24 20.21 42.08 17.35 19.60 42.54 19.28 19.91 42.31 18.32 2 0 8.63 -999 ? HG HG B 201 >TYR~B 25 22.20 40.75 11.39 22.85 40.84 8.67 22.52 40.79 10.03 3 0 9.25 -999 ? HG HG B 201 >LEU~B 26 17.20 38.50 12.09 18.44 36.76 11.49 17.82 37.63 11.79 3 0 5.62 -999 ? HG HG B 201 >ASN~B 27 15.48 42.58 14.76 13.86 41.39 15.26 14.67 41.99 15.01 2 0 8.97 -999 ? HG HG B 201 >THR~B 28 17.53 45.17 11.24 19.59 45.72 11.34 18.56 45.45 11.29 2 0 12.20 -999 ? HG HG B 201 >LEU~B 29 16.83 42.51 7.69 18.94 42.13 7.66 17.89 42.32 7.67 3 0 11.63 -999 ? HG HG B 201 >ASP.B 30 12.91 44.48 4.80 11.20 44.09 3.69 12.05 44.29 4.24 2 0 17.79 -999 ? HG HG B 201 >LEU.B 31 12.83 38.91 7.34 13.95 38.02 8.87 13.39 38.46 8.11 3 0 10.86 -999 ? HG HG B 201 >ASN.B 32 9.43 41.30 3.34 7.63 40.60 4.07 8.53 40.95 3.70 2 0 18.02 -999 ? HG HG B 201 >ALA.B 33 13.00 41.73 1.02 13.86 42.99 1.26 13.43 42.36 1.14 2 0 18.04 -999 ? HG HG B 201 >LEU.B 34 15.88 38.18 2.70 17.37 38.72 4.20 16.62 38.45 3.45 3 0 13.60 -999 ? HG HG B 201 >GLU.B 35 17.79 38.40 -3.48 19.45 39.63 -3.90 18.62 39.01 -3.69 2 0 20.67 -999 ? HG HG B 201 >ASN.B 36 15.35 32.43 -2.22 13.33 32.59 -1.86 14.34 32.51 -2.04 2 0 17.46 -999 ? HG HG B 202 >GLY^B 37 19.58 31.79 -1.08 19.31 32.08 -0.38 19.45 31.94 -0.73 1 0 15.44 -999 ? HG HG B 202 >ARG^B 38 26.16 30.15 1.45 28.45 29.28 3.17 27.30 29.71 2.31 2 0 14.30 -999 ? HG HG B 202 >HIS^B 39 21.45 36.41 2.38 19.81 36.78 1.14 20.63 36.60 1.76 3 0 14.56 -999 ? HG HG B 201 >ASP^B 40 28.14 35.41 3.86 28.99 33.39 3.62 28.57 34.40 3.74 2 0 15.72 -999 ? HG HG B 201 >ILE.B 41 25.94 36.80 9.19 24.75 36.82 9.97 25.34 36.81 9.58 3 0 9.05 -999 ? HG HG B 201 >ASN.B 42 30.14 36.22 10.98 29.94 37.34 12.76 30.04 36.78 11.87 2 0 11.29 -999 ? HG HG B 201 >ASP.B 43 34.70 35.47 8.41 35.32 37.22 7.26 35.01 36.34 7.83 2 0 18.30 -999 ? HG HG B 201 >GLN.B 44 34.01 32.80 12.51 35.44 31.22 12.33 34.72 32.01 12.42 2 0 16.67 -999 ? HG HG B 201 >ILE.B 45 27.64 33.35 11.60 27.03 33.34 12.90 27.34 33.34 12.25 3 0 8.78 -999 ? HG HG B 201 >TYR^B 46 26.31 30.03 6.17 26.68 27.26 6.36 26.50 28.65 6.26 3 0 11.25 -999 ? HG HG B 202 >MET^B 47 22.17 31.86 6.80 19.85 35.29 7.21 21.01 33.58 7.01 2 0 8.96 -999 ? HG HG B 201 >ASN^B 48 20.19 28.63 3.90 22.18 28.03 3.54 21.18 28.33 3.72 2 0 10.04 -999 ? HG HG B 202 >VAL^B 49 17.01 32.04 3.20 16.77 34.13 3.00 16.89 33.09 3.10 3 0 13.37 -999 ? HG HG B 201 >MET^B 50 14.26 29.93 1.59 15.44 26.27 3.36 14.85 28.10 2.47 2 0 9.18 -999 ? HG HG B 202 >GLU.B 51 9.94 32.38 -0.06 8.72 33.90 -0.98 9.33 33.14 -0.52 2 0 19.68 -999 ? HG HG B 202 >PRO.B 52 10.57 26.07 1.70 10.61 26.89 -0.37 10.59 26.48 0.66 3 0 13.72 -999 ? HG HG B 202 >LYS.B 61 13.41 12.60 6.72 15.13 8.24 2.92 14.27 10.42 4.82 2 0 9.25 -999 ? HG HG B 203 >ALA^B 62 14.64 14.25 9.91 14.28 13.90 11.35 14.46 14.07 10.63 2 0 6.25 -999 ? HG HG B 203 >GLU^B 63 19.08 17.92 9.16 18.77 19.28 7.50 18.92 18.60 8.33 2 0 -3.59 -999 ? HG HG B 202s >LEU^B 64 20.73 15.02 13.49 22.05 13.98 14.64 21.39 14.50 14.06 3 0 8.25 -999 ? HG HG B 202 >HIS.B 65 22.67 20.22 11.41 20.90 20.76 10.39 21.79 20.49 10.90 3 0 -3.10 -999 ? HG HG B 202s >HIS.B 66 27.77 15.38 13.84 27.09 13.41 13.53 27.43 14.39 13.68 3 0 11.56 -999 ? HG HG B 202 >GLU.B 67 30.78 20.04 12.70 31.25 19.92 10.63 31.01 19.98 11.66 2 0 12.45 -999 ? HG HG B 202 >TYR^B 68 27.49 24.64 11.46 29.42 25.83 9.86 28.46 25.23 10.66 3 0 10.30 -999 ? HG HG B 202 >LEU^B 69 23.42 25.48 16.90 23.32 27.38 17.84 23.37 26.43 17.37 3 0 9.02 -999 ? HG HG B 201 >ASP^B 70 19.54 24.75 12.91 20.20 23.58 11.37 19.87 24.17 12.14 2 0 -2.71 -999 ? HG HG B 202s >VAL^B 71 18.47 28.74 13.79 19.07 30.12 15.21 18.77 29.43 14.50 3 0 5.39 -999 ? HG HG B 201 >GLN^B 72 15.34 26.14 11.32 14.58 24.45 10.29 14.96 25.30 10.80 2 0 5.26 -999 ? HG HG B 202 >VAL^B 73 13.24 31.70 11.64 14.17 33.56 11.99 13.71 32.63 11.82 3 0 7.50 -999 ? HG HG B 201 >LEU^B 74 8.65 30.82 10.62 6.61 30.55 9.87 7.63 30.69 10.24 3 0 13.83 -999 ? HG HG B 201 >ILE^B 75 10.04 34.77 6.72 11.09 35.52 6.02 10.56 35.15 6.37 3 0 13.28 -999 ? HG HG B 201 >ARG^B 76 5.68 36.81 3.48 4.35 39.53 3.02 5.02 38.17 3.25 2 0 20.69 -999 ? HG HG B 201 >GLY.B 77 3.36 31.10 6.36 3.80 31.44 7.00 3.58 31.27 6.68 1 0 18.72 -999 ? HG HG B 202 >THR.B 78 2.87 28.93 9.44 1.29 28.50 10.96 2.08 28.71 10.20 2 0 18.02 -999 ? HG HG C 203 >GLU^B 79 7.48 25.03 8.44 9.47 25.80 8.51 8.47 25.42 8.47 2 0 10.55 -999 ? HG HG B 202 >ASN^B 80 4.07 21.60 11.47 2.19 22.07 12.21 3.13 21.83 11.84 2 0 16.81 -999 ? HG HG B 202 >ILE^B 81 9.54 22.05 12.78 10.73 22.76 12.63 10.14 22.41 12.71 3 0 9.11 -999 ? HG HG B 202 >GLU^B 82 7.24 16.04 12.84 6.94 13.97 12.37 7.09 15.00 12.60 2 0 9.91 -999 ? HG HG B 203 >VAL^B 83 11.42 17.99 16.79 11.37 19.98 17.85 11.40 18.98 17.32 3 0 10.52 -999 ? HG HG B 202 >GLY^B 84 12.97 15.59 19.36 13.45 16.30 19.26 13.21 15.95 19.31 1 0 10.81 -999 ? HG HG B 203 >ALA.B 85 14.98 16.36 22.45 14.47 17.52 23.43 14.73 16.94 22.94 2 0 11.83 -999 ? HG HG C 201 >THR.B 86 16.45 13.11 23.77 15.22 11.89 24.86 15.83 12.50 24.31 2 0 12.63 -999 ? HG HG C 201 >TYR.B 87 22.29 12.14 22.22 24.78 12.06 20.93 23.54 12.10 21.57 3 0 13.69 -999 ? HG HG B 203 >PRO.B 88 20.49 11.86 18.11 19.13 10.87 19.51 19.81 11.37 18.81 3 0 9.20 -999 ? HG HG B 203 >ASN~B 89 18.67 5.40 18.77 19.70 3.51 18.41 19.19 4.46 18.59 2 0 9.09 -999 ? HG HG B 203 >LEU~B 90 23.97 7.71 16.63 24.22 9.90 17.22 24.10 8.80 16.93 3 0 10.66 -999 ? HG HG B 203 >SER~B 91 22.53 3.47 15.27 20.93 1.95 16.30 21.73 2.71 15.79 2 0 9.49 -999 ? HG HG B 203 >LYS~B 92 19.36 3.92 13.21 14.60 3.92 17.62 16.98 3.92 15.41 2 0 6.65 -999 ? HG HG B 203 >TYR~B 93 20.33 9.17 12.71 18.27 10.69 13.70 19.30 9.93 13.21 3 0 5.28 -999 ? HG HG B 203 >GLU.B 94 20.06 6.97 6.71 18.81 7.77 5.22 19.44 7.37 5.97 2 0 8.09 -999 ? HG HG B 203 >ASP.B 95 26.02 7.11 6.54 27.95 6.65 6.87 26.98 6.88 6.70 2 0 14.38 -999 ? HG HG B 203 >TYR.B 96 28.38 13.06 9.84 29.15 15.71 10.30 28.77 14.39 10.07 3 0 12.14 -999 ? HG HG B 202 >ASN.B 97 26.83 14.46 4.99 27.26 15.49 3.17 27.04 14.98 4.08 2 0 12.54 -999 ? HG HG B 202 >GLU.B 98 32.62 14.07 6.68 34.08 13.01 7.82 33.35 13.54 7.25 2 0 17.56 -999 ? HG HG B 202 >ALA.B 99 30.30 18.27 4.18 30.10 17.87 2.72 30.20 18.07 3.45 2 0 14.03 -999 ? HG HG B 202 >ASP.B 100 25.69 19.47 4.11 26.02 20.11 2.08 25.86 19.79 3.09 2 0 11.01 -999 ? HG HG B 202 >ASP.B 101 27.08 19.82 9.41 27.43 19.50 11.44 27.25 19.66 10.43 2 0 8.83 -999 ? HG HG B 202 >TYR.B 102 23.17 16.48 6.56 23.18 15.60 3.92 23.17 16.04 5.24 3 0 8.59 -999 ? HG HG B 202 >GLN^B 103 24.19 11.68 10.50 24.96 10.59 12.17 24.58 11.13 11.33 2 0 10.73 -999 ? HG HG B 203 >LEU^B 104 18.86 11.62 6.77 19.17 13.43 5.86 19.01 12.52 6.31 3 0 8.75 -999 ? HG HG B 203 >CYH^B 105 16.67 9.23 9.85 16.32 7.68 12.40 16.49 8.45 11.13 2 0 -1.71 -999 ? HG HG B 203s >ALA.B 106 12.95 8.75 9.15 12.27 7.59 8.52 12.61 8.17 8.84 2 0 -4.33 -999 ? HG HG B 203s >ASP.B 107 12.30 7.42 13.32 10.29 7.15 14.02 11.29 7.28 13.67 2 0 -4.75 -999 ? HG HG B 203s >ILE.B 108 11.89 12.50 15.53 11.86 13.84 15.54 11.88 13.17 15.53 3 0 6.98 -999 ? HG HG B 203 >ASP.B 109 13.39 8.63 19.58 13.52 6.64 18.73 13.45 7.64 19.16 2 0 6.76 -999 ? HG HG B 203 >ASP.B 110 10.95 11.66 22.66 11.92 9.92 23.62 11.43 10.79 23.14 2 0 11.99 -999 ? HG HG B 203 >LYS^B 111 8.92 13.44 18.65 9.51 10.32 13.67 9.21 11.88 16.16 2 0 5.95 -999 ? HG HG B 203 >PHE^B 112 7.66 17.83 20.97 9.84 19.34 21.96 8.75 18.58 21.47 3 0 15.31 -999 ? HG HG B 202 >THR^B 113 5.85 19.13 16.89 4.33 18.30 15.77 5.09 18.72 16.33 2 0 15.21 -999 ? HG HG B 203 >VAL^B 114 6.49 22.83 16.79 8.19 23.90 17.80 7.34 23.36 17.29 3 0 13.61 -999 ? HG HG B 202 >THR^B 115 3.96 25.07 15.01 1.82 24.89 14.58 2.89 24.98 14.79 2 0 16.93 -999 ? HG HG C 203 >MET^B 116 5.97 28.01 13.81 9.03 27.33 14.85 7.50 27.67 14.33 2 0 12.33 -999 ? HG HG B 202 >LYS.B 117 4.28 31.27 12.98 -1.36 30.54 15.59 1.46 30.91 14.28 2 0 12.37 -999 ? HG HG C 203 >PRO.B 118 3.93 34.71 10.35 5.61 33.73 11.62 4.77 34.22 10.99 3 0 15.65 -999 ? HG HG B 201 >LYS.B 119 8.79 35.43 13.69 3.69 39.54 13.95 6.24 37.49 13.82 2 0 16.48 -999 ? HG HG C 203 >MET^B 120 8.89 32.40 16.02 5.90 30.07 17.16 7.39 31.24 16.59 2 0 14.39 -999 ? HG HG B 201 >PHE^B 121 14.04 32.53 17.42 14.82 33.59 19.99 14.43 33.06 18.71 3 0 5.91 -999 ? HG HG B 201 >ALA^B 122 13.83 27.74 16.86 13.12 26.52 16.33 13.48 27.13 16.59 2 0 9.73 -999 ? HG HG B 202 >VAL^B 123 17.38 27.14 17.93 18.62 28.40 19.05 18.00 27.77 18.49 3 0 7.30 -999 ? HG HG B 201 >PHE^B 124 16.55 22.81 16.21 13.78 22.96 15.63 15.17 22.88 15.92 3 0 6.84 -999 ? HG HG B 202 >TYR.B 125 21.91 23.70 21.16 21.48 26.08 22.61 21.69 24.89 21.88 3 0 11.41 -999 ? HG HG B 201 >PRO.B 126 25.76 20.72 17.65 23.55 20.12 17.70 24.65 20.42 17.68 3 0 9.37 -999 ? HG HG B 202 >TYR.B 127 24.05 14.93 18.15 26.71 14.45 17.29 25.38 14.69 17.72 3 0 11.91 -999 ? HG HG B 202 >GLU.B 128 18.64 19.26 20.15 18.83 21.24 21.00 18.73 20.25 20.58 2 0 10.64 -999 ? HG HG B 202 >PRO.B 129 16.49 14.38 16.88 17.18 16.33 15.76 16.83 15.35 16.32 3 0 8.76 -999 ? HG HG B 202 >HIS^B 130 16.12 20.03 12.88 18.16 20.49 12.67 17.14 20.26 12.78 3 0 -3.21 -999 ? HG HG B 202s >LYS^B 131 11.87 17.39 10.47 8.23 12.72 8.21 10.05 15.06 9.34 2 0 9.03 -999 ? HG HG B 203 >PRO.B 132 12.61 21.53 9.13 10.98 20.08 9.22 11.79 20.81 9.18 3 0 7.22 -999 ? HG HG B 202 >CYH.B 133 7.66 18.61 7.51 6.30 17.52 9.83 6.98 18.07 8.67 2 0 13.07 -999 ? HG HG B 203 >CYH.B 134 5.30 20.79 5.62 5.81 19.48 3.48 5.55 20.14 4.55 2 0 14.91 -999 ? HG HG B 202 >VAL.B 135 1.54 21.13 5.51 0.03 20.90 7.19 0.78 21.02 6.35 3 0 18.55 -999 ? HG HG B 202 >ILE.B 143 6.77 27.88 3.76 7.20 26.62 4.39 6.98 27.25 4.07 3 0 14.67 -999 ? HG HG B 202 >LYS^B 144 9.14 31.56 3.72 11.37 36.70 1.39 10.25 34.13 2.55 2 0 17.01 -999 ? HG HG B 201 >LYS^B 145 11.71 30.87 6.44 11.35 24.23 6.29 11.53 27.55 6.37 2 0 9.01 -999 ? HG HG B 202 >LEU^B 146 15.98 32.63 7.03 16.09 33.61 9.00 16.03 33.12 8.01 3 0 8.95 -999 ? HG HG B 201 >VAL^B 147 17.98 29.06 8.85 18.08 26.97 8.36 18.03 28.02 8.60 3 0 6.86 -999 ? HG HG B 202 >VAL^B 148 21.06 30.63 10.41 21.42 32.64 11.29 21.24 31.63 10.85 3 0 6.25 -999 ? HG HG B 201 >LYS^B 149 24.07 28.36 10.71 21.92 23.12 9.29 22.99 25.74 10.00 2 0 -3.63 -999 ? HG HG B 202s >VAL^B 150 26.24 29.13 13.70 25.56 30.76 14.89 25.90 29.95 14.29 3 0 8.03 -999 ? HG HG B 201 >PRO^B 151 30.23 27.96 13.06 28.67 27.40 14.53 29.45 27.68 13.79 3 0 12.25 -999 ? HG HG B 201 >VAL.B 152 28.62 25.55 18.36 28.00 23.68 18.97 28.31 24.62 18.67 3 0 12.95 -999 ? HG HG B 202 >LYS~B 153 32.11 26.76 19.13 37.09 23.73 17.90 34.60 25.24 18.52 2 0 19.83 -999 ? HG HG B 202 >LEU~B 154 29.80 30.76 18.25 30.90 31.74 16.84 30.35 31.25 17.54 3 0 11.37 -999 ? HG HG B 201 >ILE~B 155 27.48 27.92 21.98 25.91 28.37 22.20 26.69 28.14 22.09 3 0 11.27 -999 ? HG HG B 201 >MET.C 1 11.63 28.42 26.18 8.55 26.32 24.68 10.09 27.37 25.43 2 0 11.81 -999 ? HG HG C 202 >ILE^C 2 15.41 25.81 27.37 16.80 26.08 27.62 16.11 25.95 27.49 3 0 9.75 -999 ? HG HG C 201 >ILE^C 3 12.34 21.96 25.04 10.91 21.47 25.06 11.63 21.72 25.05 3 0 11.59 -999 ? HG HG C 201 >SER^C 4 15.93 19.53 26.41 18.26 20.22 26.60 17.09 19.87 26.51 2 0 8.05 -999 ? HG HG C 201 >SER^C 5 17.10 16.34 28.05 17.07 14.02 27.76 17.08 15.18 27.91 2 0 8.79 -999 ? HG HG C 201 >LEU.C 6 19.61 14.83 31.98 18.96 16.60 33.11 19.28 15.72 32.54 3 0 -4.56 -999 ? HG HG C 201s >THR.C 7 20.08 12.43 27.87 18.67 11.39 26.60 19.38 11.91 27.24 2 0 11.42 -999 ? HG HG C 201 >ASN.C 8 21.70 15.98 25.17 22.77 16.63 23.44 22.23 16.31 24.30 2 0 12.56 -999 ? HG HG C 201 >PRO.C 9 26.21 13.82 24.75 25.14 14.62 26.54 25.68 14.22 25.64 3 0 13.05 -999 ? HG HG C 201 >ASN.C 10 26.55 19.06 24.64 28.49 18.16 24.41 27.52 18.61 24.52 2 0 14.84 -999 ? HG HG C 201 >PHE.C 11 22.06 18.64 29.69 23.05 18.51 32.35 22.55 18.57 31.02 3 0 6.03 -999 ? HG HG C 201 >LYS.C 12 24.43 22.09 29.22 27.65 21.03 34.56 26.04 21.56 31.89 2 0 9.97 -999 ? HG HG C 201 >VAL.C 13 25.10 23.92 25.98 26.06 23.64 24.12 25.58 23.78 25.05 3 0 13.05 -999 ? HG HG C 201 >GLY.C 14 23.79 27.45 26.14 23.71 26.98 26.78 23.75 27.22 26.46 1 0 12.96 -999 ? HG HG B 201 >LEU.C 15 21.78 25.93 30.43 20.67 24.15 30.80 21.22 25.04 30.62 3 0 7.64 -999 ? HG HG C 201 >PRO~C 16 19.86 30.42 30.71 22.01 29.65 30.99 20.93 30.03 30.85 3 0 11.62 -999 ? HG HG C 201 >LYS~C 17 24.32 29.55 34.57 29.70 32.40 33.53 27.01 30.98 34.05 2 0 17.59 -999 ? HG HG C 201 >VAL~C 18 21.53 29.60 37.16 20.07 31.16 37.78 20.80 30.38 37.47 3 0 11.65 -999 ? HG HG C 201 >ILE~C 19 19.12 27.09 33.94 17.92 26.96 33.15 18.52 27.02 33.54 3 0 7.64 -999 ? HG HG C 201 >ALA~C 20 23.01 24.91 35.11 24.23 25.27 34.32 23.62 25.09 34.71 2 0 8.66 -999 ? HG HG C 201 >GLU~C 21 25.38 27.21 39.23 25.64 29.20 39.91 25.51 28.21 39.57 2 0 13.56 -999 ? HG HG C 201 >VAL~C 22 20.51 23.75 39.06 18.52 24.42 39.42 19.52 24.08 39.24 3 0 6.75 -999 ? HG HG C 201 >CYH~C 23 20.70 20.77 36.72 19.27 21.17 34.14 19.98 20.97 35.43 2 0 -2.28 -999 ? HG HG C 201s >ASP~C 24 25.19 20.82 39.21 26.52 21.45 37.56 25.86 21.14 38.39 2 0 9.42 -999 ? HG HG C 201 >TYR~C 25 20.57 21.06 43.90 19.12 20.38 46.22 19.84 20.72 45.06 3 0 10.72 -999 ? HG HG C 201 >LEU~C 26 18.18 18.42 39.63 16.06 18.90 39.73 17.12 18.66 39.68 3 0 5.19 -999 ? HG HG C 201 >ASN~C 27 22.42 15.55 38.09 21.42 15.44 36.15 21.92 15.50 37.12 2 0 5.66 -999 ? HG HG C 201 >THR~C 28 22.75 15.02 42.83 24.01 16.28 44.14 23.38 15.65 43.48 2 0 11.82 -999 ? HG HG C 201 >LEU.C 29 18.45 14.50 44.41 18.56 16.46 45.21 18.50 15.48 44.81 3 0 10.98 -999 ? HG HG C 201 >ASP.C 30 17.16 9.49 44.93 16.49 7.47 44.33 16.82 8.48 44.63 2 0 15.52 -999 ? HG HG C 201 >LEU.C 31 14.57 12.63 40.40 15.58 14.52 39.87 15.08 13.58 40.14 3 0 8.54 -999 ? HG HG C 201 >ASN.C 32 12.62 7.87 41.66 13.72 7.79 39.83 13.17 7.83 40.74 2 0 13.45 -999 ? HG HG C 201 >ALA.C 33 12.59 8.90 45.81 13.75 8.51 46.66 13.17 8.70 46.23 2 0 16.81 -999 ? HG HG C 201 >LEU.C 34 11.95 13.67 44.88 13.46 15.15 45.00 12.71 14.41 44.94 3 0 12.59 -999 ? HG HG C 201 >GLU.C 35 8.99 13.18 50.98 10.01 13.56 52.75 9.50 13.37 51.87 2 0 20.62 -999 ? HG HG C 201 >ASN.C 36 4.74 14.34 46.89 4.51 13.34 44.99 4.63 13.84 45.94 2 0 16.92 -999 ? HG HG C 202 >GLY^C 37 5.68 18.73 48.07 6.29 18.62 47.57 5.99 18.68 47.82 1 0 15.21 -999 ? HG HG C 202 >ARG^C 38 7.03 25.77 48.90 8.31 28.71 49.12 7.67 27.24 49.01 2 0 14.04 -999 ? HG HG C 202 >HIS^C 39 11.59 19.01 48.16 10.88 17.05 48.52 11.23 18.03 48.34 3 0 15.29 -999 ? HG HG C 201 >ASP^C 40 14.17 25.03 50.19 12.46 26.15 50.33 13.32 25.59 50.26 2 0 16.77 -999 ? HG HG C 202 >ILE.C 41 17.17 24.78 45.62 17.51 23.55 44.78 17.34 24.16 45.20 3 0 11.59 -999 ? HG HG C 201 >ASN.C 42 18.71 29.10 47.01 20.33 28.83 45.61 19.52 28.97 46.31 2 0 14.65 -999 ? HG HG C 201 >ASP.C 43 18.59 32.57 50.47 20.05 33.15 48.97 19.32 32.86 49.72 2 0 19.95 -999 ? HG HG C 201 >GLN.C 44 17.67 34.12 46.71 17.51 36.08 45.88 17.59 35.10 46.30 2 0 18.70 -999 ? HG HG C 202 >ILE.C 45 16.63 28.45 43.95 17.31 28.32 42.60 16.97 28.39 43.27 3 0 12.44 -999 ? HG HG C 201 >TYR^C 46 10.77 27.37 45.98 8.73 29.10 45.13 9.75 28.24 45.56 3 0 11.25 -999 ? HG HG C 202 >MET^C 47 10.98 23.37 43.92 13.92 20.43 43.38 12.45 21.90 43.65 2 0 9.63 -999 ? HG HG C 201 >ASN^C 48 6.26 22.42 43.51 6.11 24.50 43.94 6.19 23.46 43.73 2 0 8.94 -999 ? HG HG C 202 >VAL^C 49 7.39 17.98 43.41 8.87 16.63 43.85 8.13 17.30 43.63 3 0 13.40 -999 ? HG HG C 201 >MET^C 50 4.16 16.68 42.10 3.21 20.21 39.88 3.68 18.44 40.99 2 0 8.47 -999 ? HG HG C 202 >GLU.C 51 3.20 12.02 42.53 3.06 10.09 43.57 3.13 11.05 43.05 2 0 19.13 -999 ? HG HG C 202 >PRO.C 52 -0.32 14.23 37.61 -0.60 14.66 39.70 -0.46 14.44 38.65 3 0 14.22 -999 ? HG HG C 202 >LYS.C 61 -6.22 26.63 32.42 -11.50 27.06 34.20 -8.86 26.84 33.31 2 0 12.11 -999 ? HG HG C 203 >ALA^C 62 -3.02 28.06 30.88 -2.90 28.68 29.55 -2.96 28.37 30.21 2 0 6.81 -999 ? HG HG C 203 >GLU^C 63 0.43 29.31 35.35 0.61 27.62 36.62 0.52 28.46 35.98 2 0 3.92 -999 ? HG HG C 202 >LEU^C 64 2.33 33.33 31.77 1.19 35.31 31.59 1.76 34.32 31.68 3 0 8.37 -999 ? HG HG C 202 >HIS.C 65 4.92 31.54 36.34 4.00 29.73 36.83 4.46 30.64 36.59 3 0 -3.30 -999 ? HG HG C 202s >HIS.C 66 4.24 38.87 36.08 2.35 39.56 35.46 3.29 39.22 35.77 3 0 11.80 -999 ? HG HG C 202 >GLU.C 67 7.63 38.41 39.74 7.47 39.38 41.61 7.55 38.90 40.68 2 0 13.66 -999 ? HG HG C 202 >TYR^C 68 9.71 32.60 40.71 10.15 33.19 43.46 9.93 32.89 42.08 3 0 10.04 -999 ? HG HG C 202 >LEU^C 69 12.57 30.91 34.68 14.50 30.08 35.32 13.54 30.50 35.00 3 0 9.64 -999 ? HG HG C 202 >ASP^C 70 8.53 26.87 35.31 6.91 27.89 36.28 7.72 27.38 35.79 2 0 -2.60 -999 ? HG HG C 202s >VAL^C 71 12.47 24.69 35.27 14.57 24.44 35.66 13.52 24.56 35.47 3 0 6.69 -999 ? HG HG C 201 >GLN^C 72 7.89 22.72 34.71 5.90 23.03 33.99 6.90 22.88 34.35 2 0 4.98 -999 ? HG HG C 202 >VAL^C 73 11.70 18.14 34.67 13.56 17.46 35.54 12.63 17.80 35.10 3 0 5.46 -999 ? HG HG C 201 >LEU^C 74 9.37 14.37 32.50 7.26 14.05 32.59 8.32 14.21 32.54 3 0 11.05 -999 ? HG HG C 201 >ILE^C 75 10.28 12.78 37.87 10.36 12.76 39.24 10.32 12.77 38.55 3 0 10.80 -999 ? HG HG C 201 >ARG^C 76 9.81 6.63 37.85 11.77 4.90 39.52 10.79 5.77 38.68 2 0 16.54 -999 ? HG HG C 201 >GLY.C 77 5.47 9.36 33.19 6.16 9.55 32.89 5.82 9.45 33.04 1 0 16.02 -999 ? HG HG C 201 >THR.C 78 4.56 11.35 30.08 4.21 10.22 28.27 4.38 10.78 29.17 2 0 17.62 -999 ? HG HG C 201 >GLU^C 79 2.51 16.57 31.80 3.83 17.77 32.91 3.17 17.17 32.35 2 0 10.10 -999 ? HG HG C 202 >ASN^C 80 0.42 16.84 26.60 0.83 15.52 24.97 0.62 16.18 25.78 2 0 16.45 -999 ? HG HG C 202 >ILE^C 81 3.67 21.22 28.76 4.31 21.47 30.08 3.99 21.35 29.42 3 0 8.77 -999 ? HG HG C 202 >GLU^C 82 -1.83 22.11 25.54 -3.63 22.71 24.58 -2.73 22.41 25.06 2 0 11.91 -999 ? HG HG C 203 >VAL^C 83 2.87 26.10 25.55 4.76 25.66 26.55 3.82 25.88 26.05 3 0 9.78 -999 ? HG HG C 202 >GLY.C 84 3.28 29.27 23.46 3.86 29.18 24.01 3.57 29.22 23.74 1 0 10.54 -999 ? HG HG C 203 >ALA.C 85 6.38 31.16 22.28 7.43 30.48 21.49 6.91 30.82 21.89 2 0 13.85 -999 ? HG HG B 201 >THR.C 86 4.56 34.12 20.82 2.83 34.64 19.52 3.69 34.38 20.17 2 0 10.91 -999 ? HG HG C 203 >TYR.C 87 5.06 38.86 24.72 5.35 40.01 27.30 5.20 39.43 26.01 3 0 11.81 -999 ? HG HG C 203 >PRO.C 88 1.64 36.38 26.90 1.40 36.75 24.73 1.52 36.57 25.81 3 0 7.34 -999 ? HG HG C 203 >ASN.C 89 -3.27 39.18 24.32 -4.23 40.77 23.38 -3.75 39.98 23.85 2 0 7.35 -999 ? HG HG C 203 >LEU.C 90 -0.76 41.24 29.30 1.13 40.28 29.86 0.18 40.76 29.58 3 0 9.03 -999 ? HG HG C 203 >SER.C 91 -5.64 41.29 28.58 -7.24 41.73 26.93 -6.44 41.51 27.76 2 0 7.65 -999 ? HG HG C 203 >LYS.C 92 -7.03 37.86 27.58 -8.63 37.46 22.03 -7.83 37.66 24.80 2 0 -6.45 -999 ? HG HG C 203s >TYR.C 93 -3.16 36.28 30.22 -1.91 34.14 28.97 -2.53 35.21 29.59 3 0 -4.21 -999 ? HG HG C 203s >GLU.C 94 -8.85 35.39 34.86 -8.85 33.41 35.71 -8.85 34.40 35.29 2 0 9.73 -999 ? HG HG C 203 >ASP.C 95 -6.30 39.78 37.96 -6.99 41.73 37.52 -6.65 40.76 37.74 2 0 13.26 -999 ? HG HG C 203 >TYR.C 96 0.32 39.59 38.57 2.89 38.74 39.45 1.60 39.17 39.01 3 0 12.48 -999 ? HG HG C 202 >ASN.C 97 -1.93 35.83 41.83 -1.86 35.14 43.85 -1.90 35.49 42.84 2 0 12.84 -999 ? HG HG C 202 >GLU.C 98 1.73 41.47 42.97 1.10 43.40 43.51 1.42 42.44 43.24 2 0 18.06 -999 ? HG HG C 202 >ALA.C 99 1.79 36.37 45.96 0.86 36.29 47.19 1.32 36.33 46.57 2 0 14.93 -999 ? HG HG C 202 >ASP.C 100 0.74 32.34 43.67 0.69 31.16 45.50 0.71 31.75 44.58 2 0 11.13 -999 ? HG HG C 202 >ASP.C 101 4.91 34.19 40.35 6.29 35.41 39.37 5.60 34.80 39.86 2 0 8.96 -999 ? HG HG C 202 >TYR.C 102 -0.94 32.51 38.91 -3.22 32.24 40.50 -2.08 32.37 39.70 3 0 9.08 -999 ? HG HG C 202 >GLN^C 103 -1.15 37.35 35.26 -0.78 38.79 33.78 -0.97 38.07 34.52 2 0 9.61 -999 ? HG HG C 203 >LEU^C 104 -5.21 31.80 34.71 -4.30 30.98 36.65 -4.76 31.39 35.68 3 0 9.51 -999 ? HG HG C 203 >CYH^C 105 -6.11 32.32 30.43 -6.54 32.70 27.65 -6.33 32.51 29.04 2 0 -2.20 -999 ? HG HG C 203s >ALA.C 106 -8.14 29.39 29.09 -9.66 29.29 29.03 -8.90 29.34 29.06 2 0 6.99 -999 ? HG HG C 203 >ASP.C 107 -7.11 30.43 24.87 -6.85 29.56 22.94 -6.98 29.99 23.91 2 0 -6.20 -999 ? HG HG C 203s >ILE.C 108 -1.60 29.21 24.60 -0.46 28.64 25.22 -1.03 28.92 24.91 3 0 7.15 -999 ? HG HG C 203 >ASP.C 109 -1.99 33.78 20.97 -3.49 35.01 21.99 -2.74 34.39 21.48 2 0 5.10 -999 ? HG HG C 203 >ASP.C 110 0.70 30.89 18.56 0.05 32.72 17.66 0.38 31.80 18.11 2 0 10.64 -999 ? HG HG C 203 >LYS.C 111 -0.48 26.77 21.06 -5.99 24.61 24.00 -3.23 25.69 22.53 2 0 10.07 -999 ? HG HG C 203 >PHE^C 112 4.24 24.52 20.12 6.56 25.69 21.31 5.40 25.11 20.72 3 0 15.19 -999 ? HG HG C 202 >THR^C 113 2.27 20.86 22.25 0.40 19.96 22.85 1.34 20.41 22.55 2 0 15.40 -999 ? HG HG C 202 >VAL^C 114 5.39 19.64 23.98 7.05 20.91 24.66 6.22 20.28 24.32 3 0 13.57 -999 ? HG HG C 202 >THR^C 115 5.26 16.00 24.94 4.33 14.28 23.96 4.79 15.14 24.45 2 0 16.99 -999 ? HG HG B 203 >MET^C 116 7.46 15.59 28.02 8.91 18.54 28.74 8.18 17.06 28.38 2 0 10.69 -999 ? HG HG C 201 >LYS.C 117 9.08 12.20 28.80 8.12 9.07 24.26 8.60 10.64 26.53 2 0 13.82 -999 ? HG HG B 203 >PRO.C 118 10.21 9.14 31.60 10.99 11.07 30.94 10.60 10.10 31.27 3 0 12.29 -999 ? HG HG C 201 >LYS.C 119 14.76 12.95 31.51 18.75 8.55 30.93 16.76 10.75 31.22 2 0 11.59 -999 ? HG HG C 201 >MET^C 120 13.49 16.06 29.70 11.43 15.23 26.24 12.46 15.64 27.97 2 0 11.35 -999 ? HG HG C 201 >PHE^C 121 15.81 20.20 31.39 18.12 21.15 30.12 16.97 20.67 30.76 3 0 4.11 -999 ? HG HG C 201 >ALA^C 122 11.52 22.60 30.11 10.09 22.30 30.07 10.80 22.45 30.09 2 0 9.37 -999 ? HG HG C 201 >VAL^C 123 12.44 26.11 30.92 14.35 26.86 31.37 13.39 26.49 31.15 3 0 8.96 -999 ? HG HG C 201 >PHE^C 124 7.85 26.91 30.46 7.07 24.54 29.27 7.46 25.73 29.87 3 0 6.79 -999 ? HG HG C 202 >TYR.C 125 12.93 32.27 29.93 15.45 31.14 29.62 14.19 31.70 29.78 3 0 12.19 -999 ? HG HG C 202 >PRO.C 126 10.05 35.61 33.89 8.82 34.37 32.42 9.44 34.99 33.15 3 0 9.39 -999 ? HG HG C 202 >TYR.C 127 5.77 37.82 30.49 6.03 39.81 32.43 5.90 38.82 31.46 3 0 12.20 -999 ? HG HG C 202 >GLU.C 128 8.17 31.81 27.43 9.96 30.75 27.55 9.06 31.28 27.49 2 0 10.38 -999 ? HG HG C 202 >PRO.C 129 1.90 32.09 26.76 2.80 31.11 28.68 2.35 31.60 27.72 3 0 8.29 -999 ? HG HG C 203 >HIS^C 130 3.65 27.27 31.34 4.38 28.27 33.04 4.02 27.77 32.19 3 0 -3.53 -999 ? HG HG C 202s >LYS^C 131 -0.74 24.52 30.58 -7.16 24.38 30.08 -3.95 24.45 30.33 2 0 10.65 -999 ? HG HG C 203 >PRO.C 132 1.74 22.03 32.96 0.16 21.68 31.47 0.95 21.85 32.21 3 0 7.45 -999 ? HG HG C 202 >CYH.C 133 -3.20 19.42 30.88 -2.90 19.72 28.20 -3.05 19.57 29.54 2 0 13.02 -999 ? HG HG C 202 >CYH.C 134 -3.63 15.78 31.77 -3.89 16.59 34.43 -3.76 16.18 33.10 2 0 13.74 -999 ? HG HG C 202 >VAL.C 135 -3.89 12.63 29.73 -3.83 12.17 27.57 -3.86 12.40 28.65 3 0 18.57 -999 ? HG HG C 202 >ILE.C 143 2.43 12.39 35.73 2.46 13.52 34.61 2.45 12.96 35.17 3 0 14.65 -999 ? HG HG C 202 >LYS^C 144 5.75 12.26 38.68 9.23 11.60 42.77 7.49 11.93 40.72 2 0 14.22 -999 ? HG HG C 201 >LYS^C 145 7.21 15.77 37.86 2.18 18.01 35.18 4.70 16.89 36.52 2 0 9.73 -999 ? HG HG C 202 >LEU^C 146 10.50 17.96 39.44 12.58 18.65 39.74 11.54 18.30 39.59 3 0 8.09 -999 ? HG HG C 201 >VAL^C 147 9.15 22.33 39.15 7.46 23.38 38.14 8.30 22.86 38.65 3 0 6.72 -999 ? HG HG C 202 >VAL^C 148 12.08 24.51 40.14 14.26 24.05 40.20 13.17 24.28 40.17 3 0 8.67 -999 ? HG HG C 201 >LYS^C 149 11.23 28.08 40.80 6.16 29.23 39.28 8.70 28.65 40.04 2 0 4.37 -999 ? HG HG C 202 >VAL^C 150 14.05 30.46 39.88 15.85 29.73 39.09 14.95 30.10 39.49 3 0 11.51 -999 ? HG HG C 202 >PRO^C 151 14.41 33.70 42.40 13.93 33.54 40.19 14.17 33.62 41.29 3 0 12.82 -999 ? HG HG C 202 >VAL.C 152 14.33 35.77 36.69 12.74 36.18 35.24 13.54 35.97 35.96 3 0 12.48 -999 ? HG HG C 202 >LYS~C 153 16.72 38.26 38.27 16.05 43.24 41.91 16.38 40.75 40.09 2 0 14.13 -999 ? HG HG D 203 >LEU~C 154 19.09 34.08 39.43 19.21 34.26 41.58 19.15 34.17 40.51 3 0 15.88 -999 ? HG HG C 201 >ILE~C 155 18.42 35.07 33.81 18.46 33.77 32.90 18.44 34.42 33.36 3 0 14.99 -999 ? HG HG C 201 >MET.D 1 8.77 57.88 34.43 11.87 60.05 33.06 10.32 58.96 33.74 2 0 12.02 -999 ? HG HG D 202 >ILE^D 2 5.16 60.84 35.96 3.51 60.70 36.03 4.33 60.77 36.00 3 0 9.30 -999 ? HG HG D 201 >ILE^D 3 8.66 64.64 33.24 10.02 64.65 33.17 9.34 64.65 33.20 3 0 11.48 -999 ? HG HG D 201 >SER^D 4 4.78 67.12 34.69 2.45 66.97 35.10 3.62 67.05 34.90 2 0 7.59 -999 ? HG HG D 201 >SER^D 5 4.06 70.53 36.41 4.32 72.99 36.05 4.19 71.76 36.23 2 0 8.82 -999 ? HG HG D 201 >LEU.D 6 3.20 70.99 41.21 2.97 69.37 42.84 3.08 70.18 42.02 3 0 -3.04 -999 ? HG HG D 201s >THR.D 7 1.39 74.08 37.92 2.89 75.68 37.94 2.14 74.88 37.93 2 0 9.70 -999 ? HG HG D 201 >ASN.D 8 -0.06 72.51 33.67 0.91 70.65 34.03 0.42 71.58 33.85 2 0 9.57 -999 ? HG HG D 201 >PRO.D 9 -4.54 73.53 33.25 -3.75 72.91 35.06 -4.14 73.22 34.15 3 0 12.79 -999 ? HG HG D 201 >ASN.D 10 -5.07 69.04 32.60 -7.03 69.95 32.35 -6.05 69.50 32.48 2 0 14.84 -999 ? HG HG D 201 >PHE.D 11 -1.23 68.46 38.22 -2.22 68.68 40.76 -1.72 68.57 39.49 3 0 6.09 -999 ? HG HG D 201 >LYS.D 12 -3.84 65.16 37.86 -6.78 67.56 42.90 -5.31 66.36 40.38 2 0 10.11 -999 ? HG HG D 201 >VAL.D 13 -5.19 63.73 34.65 -5.83 64.01 32.64 -5.51 63.87 33.65 3 0 13.03 -999 ? HG HG D 201 >GLY.D 14 -3.53 60.33 34.53 -3.58 60.69 35.22 -3.55 60.51 34.87 1 0 12.65 -999 ? HG HG D 201 >LEU.D 15 -1.59 61.74 38.63 0.17 62.64 39.50 -0.71 62.19 39.06 3 0 7.36 -999 ? HG HG D 201 >PRO~D 16 -0.02 56.97 39.23 -2.02 57.96 39.72 -1.02 57.47 39.47 3 0 11.12 -999 ? HG HG D 201 >LYS~D 17 -4.27 58.65 43.17 -9.49 54.64 43.36 -6.88 56.64 43.27 2 0 17.96 -999 ? HG HG D 201 >VAL~D 18 -1.53 58.22 45.69 -0.44 56.39 46.15 -0.98 57.30 45.92 3 0 11.28 -999 ? HG HG D 201 >ILE~D 19 1.25 60.33 42.54 2.52 60.19 41.86 1.88 60.26 42.20 3 0 7.11 -999 ? HG HG D 201 >ALA~D 20 -2.35 63.07 43.36 -3.69 62.73 42.76 -3.02 62.90 43.06 2 0 8.31 -999 ? HG HG D 201 >GLU~D 21 -4.44 60.75 47.70 -4.47 59.13 49.12 -4.45 59.94 48.41 2 0 12.95 -999 ? HG HG D 201 >VAL~D 22 0.56 64.12 47.42 2.06 62.62 47.68 1.31 63.37 47.55 3 0 6.55 -999 ? HG HG D 201 >CYH~D 23 0.56 66.89 44.82 1.41 65.80 42.52 0.98 66.35 43.67 2 0 -2.37 -999 ? HG HG D 201s >ASP~D 24 -3.59 67.21 47.19 -5.05 67.03 45.64 -4.32 67.12 46.42 2 0 8.89 -999 ? HG HG D 201 >TYR~D 25 0.68 66.83 52.03 2.35 67.23 54.24 1.52 67.03 53.14 3 0 10.66 -999 ? HG HG D 201 >LEU~D 26 2.96 69.18 47.47 4.82 68.23 47.89 3.89 68.71 47.68 3 0 5.29 -999 ? HG HG D 201 >ASN~D 27 -0.63 72.11 45.50 0.47 72.44 43.68 -0.08 72.28 44.59 2 0 6.05 -999 ? HG HG D 201 >THR~D 28 -1.05 73.25 50.19 -2.40 72.24 51.57 -1.72 72.75 50.88 2 0 11.74 -999 ? HG HG D 201 >LEU.D 29 3.07 73.28 51.88 2.99 71.71 53.52 3.03 72.49 52.70 3 0 11.37 -999 ? HG HG D 201 >ASP.D 30 5.04 77.89 52.76 5.30 79.94 52.25 5.17 78.92 52.50 2 0 16.08 -999 ? HG HG D 201 >LEU.D 31 7.59 74.34 48.51 6.12 72.66 48.49 6.86 73.50 48.50 3 0 9.31 -999 ? HG HG D 201 >ASN.D 32 10.04 79.43 49.42 9.48 79.34 47.37 9.76 79.38 48.40 2 0 14.41 -999 ? HG HG D 201 >ALA.D 33 9.21 77.95 53.58 7.78 78.33 54.01 8.50 78.14 53.80 2 0 16.53 -999 ? HG HG D 201 >LEU.D 34 9.94 73.28 53.10 8.19 72.10 52.65 9.06 72.69 52.88 3 0 12.96 -999 ? HG HG D 201 >GLU.D 35 13.14 73.42 59.18 12.00 73.89 60.88 12.57 73.66 60.03 2 0 21.28 -999 ? HG HG D 201 >ASN.D 36 16.80 71.70 54.90 16.96 72.98 53.22 16.88 72.34 54.06 2 0 16.91 -999 ? HG HG D 202 >GLY^D 37 15.45 67.63 56.36 14.93 67.78 55.78 15.19 67.71 56.07 1 0 15.09 -999 ? HG HG D 202 >ARG^D 38 13.17 60.98 57.80 12.40 58.17 57.06 12.78 59.58 57.43 2 0 13.36 -999 ? HG HG D 202 >HIS^D 39 9.72 68.04 56.25 10.78 69.85 56.28 10.25 68.94 56.27 3 0 15.40 -999 ? HG HG D 201 >ASP^D 40 6.82 61.89 58.83 8.23 60.38 59.27 7.53 61.14 59.05 2 0 17.07 -999 ? HG HG D 202 >ILE.D 41 3.89 62.73 54.34 3.59 63.58 53.09 3.74 63.15 53.72 3 0 11.81 -999 ? HG HG D 201 >ASN.D 42 0.81 59.10 56.26 1.30 58.85 54.21 1.06 58.98 55.24 2 0 14.42 -999 ? HG HG D 201 >ASP.D 43 2.01 55.44 59.04 0.66 56.41 60.45 1.34 55.92 59.75 2 0 21.00 -999 ? HG HG D 201 >GLN.D 44 3.17 52.95 54.05 1.43 52.13 54.90 2.30 52.54 54.47 2 0 19.29 -999 ? HG HG D 202 >ILE.D 45 4.08 58.90 52.22 3.74 58.95 50.72 3.91 58.92 51.47 3 0 12.13 -999 ? HG HG D 201 >TYR^D 46 10.02 59.26 54.42 12.04 57.69 53.29 11.03 58.48 53.86 3 0 10.89 -999 ? HG HG D 202 >MET^D 47 9.67 63.58 52.23 7.68 67.09 51.43 8.67 65.33 51.83 2 0 9.82 -999 ? HG HG D 201 >ASN^D 48 14.53 64.19 51.67 14.68 62.40 52.86 14.61 63.30 52.26 2 0 9.50 -999 ? HG HG D 202 >VAL^D 49 13.58 68.72 51.37 12.59 70.37 52.21 13.09 69.55 51.79 3 0 13.58 -999 ? HG HG D 202 >MET^D 50 17.14 69.69 50.37 17.31 65.89 49.91 17.22 67.79 50.14 2 0 9.26 -999 ? HG HG D 202 >GLU.D 51 18.92 75.20 50.59 19.13 76.67 52.10 19.03 75.94 51.34 2 0 19.87 -999 ? HG HG D 202 >PRO.D 52 21.49 69.47 47.53 21.92 71.53 48.31 21.70 70.50 47.92 3 0 13.59 -999 ? HG HG D 202 >LYS.D 61 26.88 58.29 40.90 31.65 56.73 44.09 29.27 57.51 42.50 2 0 11.71 -999 ? HG HG D 203 >ALA^D 62 23.49 56.93 39.71 23.23 56.31 38.37 23.36 56.62 39.04 2 0 6.25 -999 ? HG HG D 203 >GLU^D 63 20.52 56.81 44.49 19.53 58.44 45.37 20.02 57.63 44.93 2 0 -3.61 -999 ? HG HG D 202s >LEU^D 64 18.47 52.02 40.72 17.96 49.98 41.03 18.21 51.00 40.87 3 0 8.64 -999 ? HG HG D 202 >HIS.D 65 15.14 54.40 44.72 15.74 56.44 44.75 15.44 55.42 44.73 3 0 -3.37 -999 ? HG HG D 202s >HIS.D 66 15.32 47.08 45.14 17.09 46.06 44.60 16.21 46.57 44.87 3 0 12.13 -999 ? HG HG D 202 >GLU.D 67 11.83 47.90 48.67 13.09 47.79 50.35 12.46 47.84 49.51 2 0 12.85 -999 ? HG HG D 202 >TYR^D 68 10.26 53.76 49.63 9.83 53.47 52.41 10.05 53.61 51.02 3 0 10.42 -999 ? HG HG D 202 >LEU^D 69 7.87 55.66 43.16 5.93 56.67 43.64 6.90 56.16 43.40 3 0 9.58 -999 ? HG HG D 202 >ASP^D 70 12.02 59.66 43.53 13.75 58.69 44.50 12.89 59.18 44.01 2 0 -2.37 -999 ? HG HG D 202s >VAL^D 71 8.45 62.19 43.62 6.40 62.24 43.73 7.42 62.22 43.68 3 0 6.55 -999 ? HG HG D 201 >GLN^D 72 12.86 63.47 42.49 14.97 63.42 42.32 13.92 63.44 42.41 2 0 5.23 -999 ? HG HG D 202 >VAL^D 73 10.15 68.54 42.97 8.15 69.06 43.61 9.15 68.80 43.29 3 0 6.08 -999 ? HG HG D 201 >LEU^D 74 12.83 71.82 41.06 14.86 72.20 40.96 13.85 72.01 41.01 3 0 11.69 -999 ? HG HG D 201 >ILE^D 75 11.19 74.45 46.08 10.81 74.14 47.32 11.00 74.30 46.70 3 0 11.22 -999 ? HG HG D 201 >ARG^D 76 12.73 80.05 45.34 12.98 81.34 48.13 12.85 80.70 46.73 2 0 17.98 -999 ? HG HG D 201 >GLY.D 77 16.69 77.17 40.92 15.92 76.78 40.61 16.31 76.97 40.76 1 0 16.77 -999 ? HG HG D 201 >THR.D 78 17.33 74.86 38.04 17.16 75.52 35.95 17.24 75.19 37.00 2 0 17.48 -999 ? HG HG D 201 >GLU^D 79 18.46 69.43 39.97 17.25 68.10 41.17 17.86 68.76 40.57 2 0 9.97 -999 ? HG HG D 202 >ASN^D 80 20.58 69.16 34.74 20.18 70.62 33.28 20.38 69.89 34.01 2 0 16.70 -999 ? HG HG D 202 >ILE^D 81 17.35 64.89 36.99 16.42 64.65 38.25 16.89 64.77 37.62 3 0 9.02 -999 ? HG HG D 202 >GLU^D 82 22.62 62.80 33.71 24.61 62.07 33.24 23.61 62.43 33.47 2 0 11.04 -999 ? HG HG D 203 >VAL^D 83 17.58 59.62 33.67 15.68 60.58 34.05 16.63 60.10 33.86 3 0 10.48 -999 ? HG HG D 202 >GLY.D 84 17.10 56.14 32.28 16.44 56.43 32.70 16.77 56.29 32.49 1 0 10.41 -999 ? HG HG D 203 >ALA.D 85 13.80 54.82 30.98 12.95 55.68 30.03 13.38 55.25 30.51 2 0 14.27 -999 ? HG HG A 201 >THR.D 86 15.15 51.49 29.96 16.02 51.23 28.02 15.59 51.36 28.99 2 0 12.30 -999 ? HG HG D 203 >TYR.D 87 15.03 46.51 33.65 14.21 45.31 36.08 14.62 45.91 34.86 3 0 12.39 -999 ? HG HG D 203 >PRO.D 88 18.10 49.14 36.02 18.52 48.89 33.83 18.31 49.01 34.92 3 0 7.81 -999 ? HG HG D 203 >ASN.D 89 22.59 45.88 32.44 23.93 44.37 32.90 23.26 45.13 32.67 2 0 7.66 -999 ? HG HG D 203 >LEU.D 90 20.62 44.46 37.97 18.81 45.51 38.70 19.72 44.98 38.34 3 0 9.19 -999 ? HG HG D 203 >SER.D 91 25.00 43.11 36.95 25.96 43.32 34.78 25.48 43.22 35.86 2 0 8.05 -999 ? HG HG D 203 >LYS.D 92 26.81 46.47 36.74 27.71 47.98 30.48 27.26 47.23 33.61 2 0 6.38 -999 ? HG HG D 203 >TYR.D 93 22.77 49.34 39.07 21.83 51.49 37.54 22.30 50.42 38.31 3 0 4.50 -999 ? HG HG D 203 >GLU.D 94 28.14 50.11 42.53 28.60 52.10 43.10 28.37 51.11 42.81 2 0 8.11 -999 ? HG HG D 203 >ASP.D 95 25.92 45.58 46.21 25.64 43.43 45.97 25.78 44.50 46.09 2 0 13.07 -999 ? HG HG D 203 >TYR.D 96 19.01 46.44 47.46 16.67 47.69 48.18 17.84 47.07 47.82 3 0 12.28 -999 ? HG HG D 202 >ASN.D 97 21.83 50.01 50.37 21.86 50.86 52.32 21.84 50.43 51.34 2 0 12.64 -999 ? HG HG D 202 >GLU.D 98 18.85 45.17 52.14 18.22 43.15 52.38 18.53 44.16 52.26 2 0 17.66 -999 ? HG HG D 202 >ALA.D 99 18.03 49.99 54.60 19.03 50.17 55.64 18.53 50.08 55.12 2 0 14.53 -999 ? HG HG D 202 >ASP.D 100 19.21 54.01 52.22 18.99 55.33 53.85 19.10 54.67 53.03 2 0 10.58 -999 ? HG HG D 202 >ASP.D 101 15.27 52.04 49.12 13.98 51.24 47.75 14.62 51.64 48.44 2 0 8.50 -999 ? HG HG D 202 >TYR.D 102 20.79 53.58 47.81 22.85 53.25 49.67 21.82 53.41 48.74 3 0 8.98 -999 ? HG HG D 202 >GLN^D 103 20.46 48.51 43.56 21.17 46.73 42.62 20.82 47.62 43.09 2 0 9.59 -999 ? HG HG D 203 >LEU^D 104 25.26 53.55 43.14 24.66 54.18 45.15 24.96 53.87 44.14 3 0 8.99 -999 ? HG HG D 203 >CYH^D 105 26.50 52.62 39.26 27.30 52.26 36.64 26.90 52.44 37.95 2 0 -2.12 -999 ? HG HG D 203s >ALA.D 106 28.54 55.31 37.70 30.08 55.22 37.47 29.31 55.27 37.58 2 0 6.13 -999 ? HG HG D 203 >ASP.D 107 27.43 54.37 33.40 29.39 55.30 33.26 28.41 54.83 33.33 2 0 -5.86 -999 ? HG HG D 203s >ILE.D 108 22.26 56.22 33.26 21.04 56.49 34.22 21.65 56.36 33.74 3 0 6.73 -999 ? HG HG D 203 >ASP.D 109 22.54 51.94 29.30 24.40 51.02 29.92 23.47 51.48 29.61 2 0 5.79 -999 ? HG HG D 203 >ASP.D 110 19.05 54.34 27.36 19.45 52.36 26.66 19.25 53.35 27.01 2 0 10.93 -999 ? HG HG D 203 >LYS.D 111 20.67 58.40 29.35 26.01 58.99 31.16 23.34 58.69 30.25 2 0 8.83 -999 ? HG HG D 203 >PHE^D 112 16.12 61.10 28.60 13.69 59.95 29.55 14.90 60.53 29.08 3 0 15.31 -999 ? HG HG D 202 >THR^D 113 18.56 64.76 30.79 20.14 66.13 31.01 19.35 65.45 30.90 2 0 15.70 -999 ? HG HG D 202 >VAL^D 114 15.49 66.27 32.16 13.64 65.34 32.87 14.57 65.80 32.51 3 0 13.80 -999 ? HG HG D 202 >THR^D 115 15.66 69.82 33.25 16.86 71.28 32.37 16.26 70.55 32.81 2 0 17.30 -999 ? HG HG A 203 >MET^D 116 13.83 70.69 36.39 12.52 67.63 36.91 13.18 69.16 36.65 2 0 10.85 -999 ? HG HG D 201 >LYS.D 117 12.44 74.22 36.91 14.00 76.53 31.87 13.22 75.37 34.39 2 0 13.79 -999 ? HG HG A 203 >PRO.D 118 11.55 77.33 39.61 10.73 75.24 39.27 11.14 76.29 39.44 3 0 12.41 -999 ? HG HG D 201 >LYS.D 119 6.75 73.88 39.81 3.54 79.20 38.59 5.14 76.54 39.20 2 0 12.66 -999 ? HG HG D 201 >MET^D 120 7.95 70.70 37.90 10.35 70.94 34.34 9.15 70.82 36.12 2 0 11.50 -999 ? HG HG D 201 >PHE^D 121 5.23 66.61 39.62 2.58 66.19 38.70 3.90 66.40 39.16 3 0 -3.62 -999 ? HG HG D 201s >ALA^D 122 9.34 63.82 38.09 10.85 63.88 37.84 10.09 63.85 37.96 2 0 9.53 -999 ? HG HG D 201 >VAL^D 123 7.98 60.50 39.53 5.94 60.10 39.47 6.96 60.30 39.50 3 0 8.41 -999 ? HG HG D 201 >PHE^D 124 12.62 59.38 38.63 13.64 61.68 37.39 13.13 60.53 38.01 3 0 7.14 -999 ? HG HG D 202 >TYR.D 125 7.20 54.27 38.94 4.93 55.76 38.30 6.06 55.02 38.62 3 0 12.07 -999 ? HG HG D 202 >PRO.D 126 9.87 50.83 42.48 11.25 51.92 40.95 10.56 51.37 41.72 3 0 9.51 -999 ? HG HG D 202 >TYR.D 127 14.22 48.14 39.24 14.22 46.22 41.26 14.22 47.18 40.25 3 0 12.31 -999 ? HG HG D 202 >GLU.D 128 12.19 54.26 35.87 10.23 55.35 35.85 11.21 54.81 35.86 2 0 10.76 -999 ? HG HG D 202 >PRO.D 129 18.28 54.46 35.04 17.58 54.75 37.07 17.93 54.60 36.05 3 0 8.49 -999 ? HG HG D 203 >HIS^D 130 16.92 58.69 40.03 16.40 57.87 41.90 16.66 58.28 40.96 3 0 -3.34 -999 ? HG HG D 202s >LYS^D 131 21.34 61.35 38.75 26.94 59.19 36.53 24.14 60.27 37.64 2 0 8.01 -999 ? HG HG D 203 >PRO.D 132 19.41 63.68 41.88 20.50 64.10 39.96 19.95 63.89 40.92 3 0 7.27 -999 ? HG HG D 202 >CYH.D 133 23.61 66.03 38.40 24.61 64.37 36.31 24.11 65.20 37.36 2 0 12.93 -999 ? HG HG D 202 >CYH.D 134 22.70 69.74 38.96 22.96 71.76 40.89 22.83 70.75 39.92 2 0 15.14 -999 ? HG HG D 202 >VAL.D 135 24.59 72.00 36.54 24.30 72.70 34.51 24.45 72.35 35.53 3 0 18.22 -999 ? HG HG D 202 >ILE.D 143 19.49 74.06 43.96 19.10 72.84 42.91 19.30 73.45 43.43 3 0 15.13 -999 ? HG HG D 202 >LYS^D 144 15.94 74.05 46.69 12.77 74.68 51.67 14.35 74.37 49.18 2 0 15.06 -999 ? HG HG D 201 >LYS^D 145 14.28 70.78 46.30 16.32 66.53 42.97 15.30 68.66 44.64 2 0 7.96 -999 ? HG HG D 202 >LEU^D 146 10.82 68.49 47.87 8.76 68.30 48.08 9.79 68.39 47.97 3 0 8.47 -999 ? HG HG D 201 >VAL^D 147 12.09 64.41 47.06 13.61 63.13 46.18 12.85 63.77 46.62 3 0 6.50 -999 ? HG HG D 202 >VAL^D 148 8.95 62.54 48.13 6.91 63.23 48.50 7.93 62.89 48.32 3 0 8.50 -999 ? HG HG D 201 >LYS^D 149 9.29 58.81 48.95 14.58 57.50 47.78 11.93 58.16 48.37 2 0 4.04 -999 ? HG HG D 202 >VAL^D 150 6.14 56.78 48.32 4.45 57.63 47.34 5.30 57.20 47.83 3 0 11.44 -999 ? HG HG D 201 >PRO^D 151 4.60 53.54 50.42 5.87 53.74 48.57 5.24 53.64 49.50 3 0 13.09 -999 ? HG HG D 202 >VAL.D 152 5.08 51.31 45.23 6.61 50.66 43.85 5.84 50.99 44.54 3 0 12.83 -999 ? HG HG D 202 >LYS~D 153 2.66 49.03 46.99 3.28 43.67 49.30 2.97 46.35 48.15 2 0 20.38 -999 ? HG HG D 202 >LEU~D 154 0.79 53.18 47.99 0.98 52.70 50.10 0.89 52.94 49.04 3 0 15.82 -999 ? HG HG D 201 >ILE~D 155 1.58 53.32 42.33 2.00 54.06 41.68 1.79 53.69 42.01 3 0 13.62 -999 ? HG HG D 201