REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-DEC-09 3KXA COMPND PUTATIVE UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 FRAGMENT: RESIDUES IN UNP 13-145; COMPND 5 SYNONYM: NGO0477 PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; SOURCE 3 ORGANISM_TAXID: 242231; SOURCE 4 STRAIN: FA1090; SOURCE 5 GENE: NGO0477; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: OPPF1366 AUTHOR J.REN,S.SAINSBURY,J.E.NETTLESHIP,R.J.OWENS,OXFORD PROTEIN PRODUCTION AUTHOR 2 FACILITY (OPPF) HET MSE A 45 8 HET MSE A 70 8 HET MSE A 130 8 HET MSE B 45 8 HET MSE B 70 8 HET MSE B 130 8 HET MSE C 45 8 HET MSE C 70 8 HET MSE C 130 8 HET MSE D 45 8 HET MSE D 70 8 HET MSE D 130 8 HET ASN A 140 9 HET CL A 134 1 HET ASN B 140 9 HET CL A 135 1 HET ASN C 140 9 HET CL A 136 1 HET ASN D 140 9 HET CL A 137 1 HET CL A 138 1 HET UNX A 201 1 HET UNX A 203 1 HET UNX A 202 1 HET UNX A 204 1 HET UNX A 205 1 HET UNX A 206 1 HET UNX A 207 1 HET UNX A 208 1 HET UNX A 209 1 HET UNX A 210 1 HET UNX A 211 1 HET UNX C 212 1 HET UNX C 214 1 HET UNX C 213 1 HET UNX C 215 1 HET UNX C 216 1 HET UNX C 217 1 HET UNX C 218 1 HET UNX C 219 1 HET UNX C 220 1 HET UNX C 221 1 HET UNX C 222 1 HET CL B 134 1 HET CL B 135 1 HET CL C 134 1 HET CL C 135 1 HET CL C 136 1 HET CL C 137 1 HET CL C 138 1 HET CL C 139 1 SSBOND 1 CYS A 8 CYS A 17 1555 1555 2.06 SSBOND 2 CYS B 8 CYS B 17 1555 1555 2.05 SSBOND 3 CYS C 8 CYS C 17 1555 1555 2.05 SSBOND 4 CYS D 8 CYS D 17 1555 1555 2.05 SITE 1 AC1 4 LYS A 7 LEU A 9 LYS A 16 VAL A 18 SITE 1 AC2 4 LEU B 9 LYS B 16 VAL B 18 LYS B 19 SITE 1 AC3 6 LYS C 7 LEU C 9 LYS C 16 CYS C 17 SITE 1 AC4 4 LEU D 9 LYS D 16 VAL D 18 LYS D 19 SITE 1 AC5 1 LYS A 42 SITE 1 AC6 1 MSE A 70 SITE 1 AC7 2 LEU A 117 ASN C 110 SITE 1 AC8 2 MSE A 130 LYS D 7 SITE 1 AC9 2 ARG A 92 SER A 96 SITE 1 BC1 2 LYS B 7 MSE C 130 SITE 1 BC2 1 MSE B 70 SITE 1 BC3 1 MSE C 70 SITE 1 BC4 2 ASN A 110 LEU C 117 SITE 1 BC5 1 MSE D 70 SITE 1 BC6 1 LYS C 42 SITE 1 BC7 1 ARG C 92 SITE 1 BC8 3 LYS C 97 GLN C 98 SER C 99 >ILE.A 1 44.99 87.47 88.31 43.84 87.12 88.86 44.41 87.29 88.59 3 0 15.01 -999 ? OXT ASN C 140 >PRO.A 2 49.86 87.12 85.35 48.12 88.57 85.43 48.99 87.85 85.39 3 0 12.63 -999 ? OXT ASN C 140 >VAL.A 3 48.47 90.00 81.23 46.78 91.47 81.15 47.62 90.73 81.19 3 0 7.66 -999 ? OXT ASN C 140 >THR^A 4 51.46 89.99 78.79 52.76 88.69 79.92 52.11 89.34 79.35 2 0 10.50 -999 ? OXT ASN C 140 >HIS^A 5 50.47 92.88 75.11 48.92 93.90 76.09 49.69 93.39 75.60 3 0 5.58 -999 ? OXT ASN C 140 >ILE^A 6 53.22 86.68 72.95 52.72 85.52 73.46 52.97 86.10 73.21 3 0 7.40 -999 ? N ASN A 140 >LYS^A 7 54.18 88.59 68.93 58.46 91.83 65.93 56.32 90.21 67.43 2 0 -6.17 -999 ? O ASN A 140s >CSS^A 8 52.53 85.98 66.72 51.15 84.81 68.90 51.84 85.39 67.81 2 0 5.77 -999 ? N ASN A 140 >LEU^A 9 53.84 84.14 62.50 55.14 84.34 60.78 54.49 84.24 61.64 3 0 -3.51 -999 ? OXT ASN A 140s >ARG^A 10 45.96 86.43 60.89 43.78 84.36 60.20 44.87 85.40 60.55 2 0 9.37 -999 ? UNK UNX C 215 >ILE.A 11 51.57 82.62 57.69 52.50 81.58 57.44 52.04 82.10 57.57 3 0 8.42 -999 ? OXT ASN A 140 >ASN.A 12 47.73 82.08 54.20 46.63 82.41 52.40 47.18 82.25 53.30 2 0 15.54 -999 ? UNK UNX C 214 >GLY.A 13 44.31 81.93 57.80 45.08 81.75 57.95 44.70 81.84 57.87 1 0 10.61 -999 ? UNK UNX C 215 >GLN.A 14 47.88 78.00 60.39 49.47 76.99 59.39 48.67 77.50 59.89 2 0 8.10 -999 ? UNK UNX C 214 >ILE^A 15 47.46 82.10 64.66 46.96 83.26 65.39 47.21 82.68 65.03 3 0 4.05 -999 ? UNK UNX C 215 >LYS^A 16 51.78 80.40 64.56 54.85 77.01 60.25 53.32 78.71 62.40 2 0 -6.56 -999 ? ND2 ASN A 140s >CSS.A 17 52.77 81.67 68.02 50.36 82.92 68.70 51.56 82.29 68.36 2 0 4.81 -999 ? UNK UNX C 215 >VAL.A 18 55.10 78.93 69.13 54.68 77.01 70.08 54.89 77.97 69.61 3 0 -5.31 -999 ? ND2 ASN A 140s >LYS.A 19 58.66 79.03 67.77 62.38 83.50 69.93 60.52 81.26 68.85 2 0 6.75 -999 ? O ASN A 140 >PRO.A 20 58.21 74.72 67.13 59.69 76.10 68.17 58.95 75.41 67.65 3 0 6.84 -999 ? ND2 ASN A 140 >ILE.A 21 64.72 76.35 69.63 64.62 76.15 70.50 64.67 76.25 70.07 3 0 10.57 -999 ? OD1 ASN A 140 >SER.A 22 65.43 73.82 65.60 65.08 73.36 63.21 65.25 73.59 64.41 2 0 11.47 -999 ? OD1 ASN A 140 >PRO.A 23 68.33 72.08 68.39 68.15 72.34 66.15 68.24 72.21 67.27 3 0 10.42 -999 ? CL CL B 135 >ASN.A 24 68.06 68.82 62.48 66.49 69.98 61.61 67.28 69.40 62.05 2 0 13.43 -999 ? CL CL B 135 >THR.A 25 71.57 67.45 64.81 73.46 68.42 64.36 72.51 67.94 64.58 2 0 10.42 -999 ? CL CL B 135 >THR~A 26 71.36 65.95 68.29 69.27 65.82 68.79 70.31 65.88 68.54 2 0 4.73 -999 ? CL CL B 135 >PRO~A 27 74.42 64.83 71.16 73.43 63.84 69.41 73.92 64.33 70.29 3 0 4.80 -999 ? CL CL B 135 >ALA~A 28 71.36 60.38 69.67 70.15 60.32 70.58 70.76 60.35 70.13 2 0 4.06 -999 ? CL CL B 135 >ALA~A 29 70.08 61.25 66.19 69.35 62.54 65.78 69.71 61.89 65.98 2 0 7.25 -999 ? CL CL B 135 >GLU~A 30 75.91 62.94 64.92 75.85 64.84 64.01 75.88 63.89 64.46 2 0 10.74 -999 ? CL CL B 135 >HIS~A 31 75.06 56.57 68.19 76.20 54.87 68.65 75.63 55.72 68.42 3 0 10.72 -999 ? CL CL B 135 >ILE~A 32 70.29 56.26 65.04 69.06 55.93 65.50 69.67 56.09 65.27 3 0 7.56 -999 ? CL CL A 135 >GLU~A 33 72.61 60.00 59.93 71.66 61.86 59.65 72.13 60.93 59.79 2 0 10.51 -999 ? CL CL A 134 >HIS~A 34 77.97 58.61 61.94 78.87 60.39 61.25 78.42 59.50 61.59 3 0 14.73 -999 ? CL CL B 135 >VAL~A 35 75.12 53.34 62.61 74.37 52.29 64.37 74.75 52.82 63.49 3 0 11.73 -999 ? CL CL A 135 >ARG~A 36 69.03 53.73 60.02 66.94 51.49 59.33 67.99 52.61 59.67 2 0 6.36 -999 ? CL CL A 134 >LYS.A 37 75.49 54.32 57.26 76.13 60.31 57.16 75.81 57.31 57.21 2 0 11.68 -999 ? CL CL A 134 >ASN~A 38 77.46 50.07 58.46 77.96 48.01 58.18 77.71 49.04 58.32 2 0 14.12 -999 ? CL CL A 134 >PRO~A 39 76.37 48.44 53.62 75.01 49.08 55.28 75.69 48.76 54.45 3 0 11.14 -999 ? CL CL A 134 >ARG~A 40 77.83 43.58 55.54 78.41 41.65 53.22 78.12 42.62 54.38 2 0 17.87 -999 ? CL CL A 134 >ARG~A 41 76.81 49.18 62.36 76.78 49.18 65.54 76.79 49.18 63.95 2 0 14.11 -999 ? CL CL A 135 >LYS~A 42 71.06 48.96 58.56 68.03 52.26 54.19 69.54 50.61 56.37 2 0 -3.07 -999 ? CL CL A 134s >ALA~A 43 69.74 45.60 57.39 70.50 44.65 56.47 70.12 45.13 56.93 2 0 11.26 -999 ? CL CL A 134 >ALA~A 44 70.08 43.95 60.81 71.33 43.92 61.67 70.71 43.93 61.24 2 0 12.23 -999 ? CL CL A 135 >MET?A 45 68.00 46.82 62.24 69.64 50.65 63.46 68.82 48.74 62.85 2 0 6.90 -999 ? CL CL A 135 >ASP~A 46 65.90 46.85 57.85 66.46 48.86 57.36 66.18 47.86 57.60 2 0 6.86 -999 ? CL CL A 134 >ARG~A 47 66.73 40.09 58.07 69.41 41.61 57.54 68.07 40.85 57.80 2 0 14.02 -999 ? CL CL A 134 >ALA~A 48 64.19 43.65 63.55 65.20 44.20 64.53 64.70 43.92 64.04 2 0 8.51 -999 ? CL CL A 135 >ALA~A 49 61.86 46.57 62.68 62.24 47.80 61.86 62.05 47.18 62.27 2 0 5.47 -999 ? CL CL A 135 >ALA~A 50 59.86 44.30 60.33 60.43 43.57 59.12 60.14 43.94 59.73 2 0 10.77 -999 ? CL CL A 135 >ARG~A 51 62.15 38.98 63.17 64.99 39.69 64.07 63.57 39.34 63.62 2 0 12.91 -999 ? CL CL A 135 >ILE~A 52 59.11 45.37 66.09 59.84 46.01 67.10 59.48 45.69 66.59 3 0 7.91 -999 ? CL CL A 135 >ALA~A 53 55.95 45.75 62.85 56.33 46.32 61.50 56.14 46.04 62.17 2 0 9.63 -999 ? CL CL A 135 >ASP~A 54 54.87 40.98 62.34 55.37 40.64 60.29 55.12 40.81 61.32 2 0 14.75 -999 ? CL CL A 135 >LYS~A 55 53.50 42.35 66.31 57.57 39.17 69.96 55.54 40.76 68.13 2 0 15.33 -999 ? CL CL A 135 >ILE~A 56 52.92 47.14 65.40 53.46 48.49 65.54 53.19 47.81 65.47 3 0 10.96 -999 ? CL CL A 135 >ALA~A 57 49.84 45.00 62.94 50.31 44.52 61.55 50.07 44.76 62.25 2 0 15.34 -999 ? CL CL A 135 >LEU~A 58 49.21 40.69 65.04 48.64 38.65 65.52 48.92 39.67 65.28 3 0 17.64 -999 ? OXT ASN B 140 >LYS~A 59 47.94 43.75 67.96 48.41 42.94 73.50 48.18 43.35 70.73 2 0 13.03 -999 ? CB ASN B 140 >ALA~A 60 46.30 46.79 66.37 47.24 47.90 65.96 46.77 47.35 66.17 2 0 11.02 -999 ? ND2 ASN B 140 >GLY~A 61 43.81 45.40 63.84 44.59 45.39 63.59 44.20 45.40 63.72 1 0 11.62 -999 ? OXT ASN B 140 >GLY.A 62 45.95 45.79 60.72 46.25 46.30 61.36 46.10 46.04 61.04 1 0 14.58 -999 ? OXT ASN B 140 >GLU.A 63 50.55 48.33 57.51 51.82 46.63 57.78 51.18 47.48 57.64 2 0 14.41 -999 ? CL CL A 135 >THR~A 64 49.11 51.13 61.22 49.64 50.55 63.22 49.38 50.84 62.22 2 0 12.61 -999 ? ND2 ASN B 140 >PHE~A 65 51.71 56.54 59.58 53.54 58.17 58.23 52.63 57.35 58.90 3 0 12.89 -999 ? CL CL A 135 >VAL~A 66 54.04 53.29 62.24 54.50 53.69 64.32 54.27 53.49 63.28 3 0 8.97 -999 ? CL CL A 135 >SER~A 67 53.79 49.62 61.22 52.55 47.62 60.58 53.17 48.62 60.90 2 0 12.27 -999 ? CL CL A 135 >LEU~A 68 52.95 51.29 56.79 52.85 51.66 54.65 52.90 51.48 55.72 3 0 13.30 -999 ? CL CL A 136 >ARG~A 69 58.40 55.66 60.33 58.86 54.87 63.26 58.63 55.26 61.80 2 0 5.05 -999 ? CL CL A 135 >MET?A 70 58.80 50.15 59.85 58.35 49.90 64.02 58.57 50.03 61.93 2 0 -5.41 -999 ? CL CL A 135s >LYS~A 71 58.29 47.48 57.16 53.00 44.09 58.01 55.65 45.78 57.59 2 0 14.67 -999 ? CL CL A 135 >LYS~A 72 59.75 49.81 54.52 56.29 47.85 51.35 58.02 48.83 52.94 2 0 12.49 -999 ? CL CL A 134 >GLY.A 73 62.86 50.32 56.70 62.36 50.90 56.56 62.61 50.61 56.63 1 0 6.32 -999 ? CL CL A 134 >PHE.A 74 61.65 55.12 55.50 62.11 55.60 52.78 61.88 55.36 54.14 3 0 4.50 -999 ? CL CL A 134 >THR~A 75 63.25 55.34 61.07 65.36 55.62 61.30 64.31 55.48 61.19 2 0 5.13 -999 ? CL CL A 135 >GLN~A 76 59.62 59.83 63.37 58.81 60.18 65.29 59.21 60.00 64.33 2 0 8.86 -999 ? CL CL A 135 >SER~A 77 63.95 60.52 61.24 66.12 61.50 61.65 65.04 61.01 61.45 2 0 10.00 -999 ? CL CL A 135 >GLU~A 78 66.51 57.29 57.73 67.02 55.27 58.17 66.77 56.28 57.95 2 0 4.31 -999 ? CL CL A 134 >LEU~A 79 59.81 58.37 57.31 57.87 58.20 56.35 58.84 58.28 56.83 3 0 8.76 -999 ? CL CL A 134 >ALA~A 80 60.67 62.77 57.93 60.97 63.29 59.32 60.82 63.03 58.62 2 0 11.39 -999 ? CL CL A 134 >THR~A 81 63.68 63.66 55.77 65.76 63.74 56.21 64.72 63.70 55.99 2 0 9.23 -999 ? CL CL A 134 >ALA~A 82 62.47 61.70 52.72 62.21 60.22 52.74 62.34 60.96 52.74 2 0 6.91 -999 ? CL CL A 134 >ALA~A 83 58.99 63.29 52.87 57.88 62.57 53.68 58.44 62.93 53.28 2 0 11.48 -999 ? CL CL A 134 >GLY.A 84 60.07 66.93 53.34 59.64 66.47 53.86 59.86 66.70 53.60 1 0 13.66 -999 ? CL CL A 134 >LEU.A 85 57.42 65.99 57.10 55.38 65.82 56.38 56.40 65.90 56.74 3 0 13.21 -999 ? CL CL A 138 >PRO~A 86 58.27 70.07 59.77 59.28 68.05 59.63 58.77 69.06 59.70 3 0 13.14 -999 ? CL CL A 138 >GLN~A 87 61.51 63.41 64.00 63.51 62.68 64.15 62.51 63.04 64.08 2 0 10.25 -999 ? CL CL A 135 >PRO~A 88 59.63 68.19 65.83 58.51 66.47 64.98 59.07 67.33 65.40 3 0 11.00 -999 ? CL CL A 138 >TYR~A 89 53.62 67.78 61.06 51.07 67.94 59.90 52.35 67.86 60.48 3 0 7.92 -999 ? CL CL A 138 >LEU~A 90 57.03 62.72 61.15 57.07 61.04 59.76 57.05 61.88 60.45 3 0 11.94 -999 ? CL CL A 135 >SER~A 91 55.66 62.06 65.42 56.03 62.04 67.81 55.85 62.05 66.62 2 0 9.00 -999 ? CL CL A 138 >ARG~A 92 52.33 67.43 66.65 50.89 69.40 64.74 51.61 68.42 65.70 2 0 -4.60 -999 ? CL CL A 138s >ILE~A 93 51.81 62.03 61.11 51.90 62.40 59.76 51.85 62.21 60.44 3 0 8.70 -999 ? CL CL A 138 >GLU~A 94 54.45 58.31 62.98 56.37 57.40 63.08 55.41 57.86 63.03 2 0 8.48 -999 ? CL CL A 135 >ASN~A 95 51.74 59.47 68.49 53.41 58.19 68.35 52.58 58.83 68.42 2 0 9.85 -999 ? CL CL A 138 >SER~A 96 48.40 62.11 68.08 50.43 63.04 69.14 49.42 62.58 68.61 2 0 -4.55 -999 ? CL CL A 138s >LYS.A 97 46.76 63.36 64.82 47.53 67.58 61.94 47.15 65.47 63.38 2 0 5.33 -999 ? CL CL A 138 >GLN.A 98 41.83 63.42 65.88 40.29 64.69 66.71 41.06 64.05 66.29 2 0 3.35 -999 ? UNK UNX A 206 >SER.A 99 43.55 63.53 60.01 42.12 65.47 60.05 42.84 64.50 60.03 2 0 7.56 -999 ? UNK UNX A 211 >LEU.A 100 46.82 63.03 56.59 48.49 61.79 57.27 47.65 62.41 56.93 3 0 10.93 -999 ? CL CL A 136 >GLN~A 101 46.21 69.22 55.58 47.52 70.89 55.58 46.86 70.05 55.58 2 0 12.37 -999 ? CL CL A 138 >ASP~A 102 44.90 65.90 49.85 45.09 64.63 48.15 45.00 65.27 49.00 2 0 8.16 -999 ? CL CL A 136 >LYS~A 103 49.23 67.15 50.24 50.09 72.91 49.53 49.66 70.03 49.88 2 0 17.66 -999 ? CL CL A 136 >THR~A 104 50.84 65.27 53.15 50.84 65.86 55.21 50.84 65.56 54.18 2 0 12.19 -999 ? CL CL A 138 >VAL~A 105 49.39 61.87 52.21 47.36 61.03 52.23 48.38 61.45 52.22 3 0 7.97 -999 ? CL CL A 136 >GLN~A 106 49.08 63.14 47.42 48.54 63.87 45.50 48.81 63.50 46.46 2 0 9.68 -999 ? CL CL A 136 >LYS~A 107 54.43 63.50 50.20 53.64 68.98 51.39 54.04 66.24 50.80 2 0 16.47 -999 ? CL CL A 136 >LEU~A 108 53.39 60.23 53.65 53.52 60.81 55.73 53.45 60.52 54.69 3 0 12.67 -999 ? CL CL A 136 >ALA~A 109 53.11 58.09 49.76 51.87 58.33 48.92 52.49 58.21 49.34 2 0 9.17 -999 ? CL CL A 136 >ASN~A 110 56.23 60.56 46.99 54.75 61.20 45.58 55.49 60.88 46.28 2 0 -13.12 -999 ? CL CL A 136s >ALA~A 111 58.62 58.82 50.31 58.58 59.55 51.63 58.60 59.19 50.97 2 0 9.39 -999 ? CL CL A 134 >LEU~A 112 56.33 54.98 52.05 56.18 55.13 54.18 56.26 55.05 53.11 3 0 10.12 -999 ? CL CL A 134 >GLY~A 113 56.66 54.42 47.48 56.21 54.27 48.15 56.43 54.34 47.82 1 0 11.65 -999 ? CL CL A 134 >VAL.A 114 53.12 53.14 48.19 53.28 52.76 50.38 53.20 52.95 49.29 3 0 11.08 -999 ? CL CL A 136 >SER~A 115 49.64 54.31 47.13 47.90 52.63 47.63 48.77 53.47 47.38 2 0 6.70 -999 ? CL CL A 136 >PRO~A 116 47.66 58.24 46.77 48.00 56.71 48.36 47.83 57.48 47.56 3 0 5.21 -999 ? CL CL A 136 >LEU~A 117 44.37 53.41 48.78 42.58 52.20 49.29 43.48 52.80 49.03 3 0 -4.08 -999 ? CL CL A 136s >GLU~A 118 48.87 50.37 50.67 50.64 49.30 51.01 49.76 49.84 50.84 2 0 11.06 -999 ? CL CL A 136 >VAL~A 119 48.89 55.51 53.56 50.24 57.20 53.21 49.56 56.35 53.38 3 0 8.12 -999 ? CL CL A 136 >ARG~A 120 43.34 59.02 52.13 44.15 61.78 51.03 43.74 60.40 51.58 2 0 5.57 -999 ? CL CL A 136 >ALA~A 121 44.23 52.89 55.23 44.20 51.65 54.33 44.22 52.27 54.78 2 0 7.65 -999 ? CL CL A 136 >ALA~A 122 47.17 52.64 57.64 48.63 52.77 57.27 47.90 52.71 57.46 2 0 10.99 -999 ? CL CL A 136 >PHE~A 123 46.24 58.50 59.35 46.06 60.81 60.91 46.15 59.65 60.13 3 0 9.98 -999 ? CL CL A 138 >GLU~A 124 41.58 55.97 57.68 40.72 57.68 58.58 41.15 56.83 58.13 2 0 9.97 -999 ? CL CL A 136 >ARG~A 125 43.42 49.16 60.17 44.77 48.18 57.56 44.09 48.67 58.87 2 0 12.41 -999 ? CL CL A 136 >ARG~A 126 44.72 57.87 63.85 47.67 58.59 63.35 46.19 58.23 63.60 2 0 8.76 -999 ? CL CL A 138 >TYR~A 127 39.91 56.35 63.95 40.80 58.98 63.81 40.36 57.66 63.88 3 0 8.52 -999 ? UNK UNX A 206 >GLU.A 128 36.91 49.84 67.69 38.36 48.49 68.43 37.63 49.17 68.06 2 0 5.05 -999 ? OXT ASN B 140 >TYR.A 129 35.96 52.30 61.14 37.42 54.41 60.00 36.69 53.36 60.57 3 0 10.89 -999 ? OXT ASN B 140 >MET?A 130 31.59 49.33 63.28 30.81 51.51 66.78 31.20 50.42 65.03 2 0 -4.94 -999 ? CL CL A 137s >GLU.A 131 29.18 48.73 58.01 30.02 50.64 57.63 29.60 49.69 57.82 2 0 8.31 -999 ? CL CL A 137 >ILE.B 1 30.33 60.72 49.24 30.61 61.92 48.71 30.47 61.32 48.98 3 0 13.15 -999 ? CL CL A 136 >PRO.B 2 30.96 55.80 52.27 29.61 57.61 52.17 30.28 56.70 52.22 3 0 12.98 -999 ? CL CL A 136 >VAL.B 3 29.33 57.73 56.52 27.50 58.89 57.04 28.42 58.31 56.78 3 0 8.16 -999 ? OXT ASN D 140 >THR^B 4 31.40 55.42 58.80 33.12 55.02 57.52 32.26 55.22 58.16 2 0 11.07 -999 ? OXT ASN D 140 >HIS^B 5 28.23 55.30 62.58 26.55 56.15 61.66 27.39 55.72 62.12 3 0 4.97 -999 ? OXT ASN D 140 >ILE^B 6 35.04 55.81 64.65 35.81 56.84 64.15 35.43 56.32 64.40 3 0 8.41 -999 ? OXT ASN B 140 >LYS^B 7 33.92 53.97 68.62 33.22 48.61 71.53 33.57 51.29 70.07 2 0 -2.90 -999 ? CL CL B 134s >CSS^B 8 35.46 56.63 70.87 35.85 58.42 68.72 35.66 57.53 69.79 2 0 6.02 -999 ? UNK UNX A 206 >LEU^B 9 37.75 56.26 75.03 38.23 54.96 76.72 37.99 55.61 75.88 3 0 -3.93 -999 ? N ASN B 140s >ARG^B 10 31.94 61.99 76.89 32.77 64.88 77.57 32.35 63.43 77.23 2 0 8.02 -999 ? CL CL C 139 >ILE.B 11 38.05 58.87 79.89 39.41 58.52 80.10 38.73 58.69 79.99 3 0 7.80 -999 ? OD1 ASN B 140 >ASN.B 12 36.74 62.40 83.52 35.95 63.14 85.38 36.34 62.77 84.45 2 0 9.20 -999 ? CL CL C 135 >GLY.B 13 35.12 65.54 80.02 35.63 64.96 79.85 35.37 65.25 79.93 1 0 8.54 -999 ? CL CL C 139 >GLN.B 14 40.25 64.44 77.33 41.93 63.50 78.25 41.09 63.97 77.79 2 0 8.32 -999 ? UNK UNX A 203 >ILE^B 15 36.37 62.87 73.08 35.13 62.78 72.36 35.75 62.82 72.72 3 0 3.70 -999 ? UNK UNX A 205 >LYS^B 16 39.97 59.93 73.05 44.51 58.74 77.22 42.24 59.34 75.13 2 0 -4.77 -999 ? OD1 ASN B 140s >CSS.B 17 39.28 58.56 69.55 37.04 60.09 68.86 38.16 59.33 69.21 2 0 4.16 -999 ? UNK UNX A 206 >VAL.B 18 42.78 57.87 68.37 44.27 59.19 67.43 43.52 58.53 67.90 3 0 -5.54 -999 ? ND2 ASN B 140s >LYS.B 19 44.45 54.69 69.63 42.27 49.30 67.34 43.36 52.00 68.48 2 0 -6.34 -999 ? OXT ASN B 140s >PRO.B 20 48.17 56.81 70.70 47.54 55.05 69.40 47.86 55.93 70.05 3 0 5.75 -999 ? ND2 ASN B 140 >ILE.B 21 49.53 50.21 68.76 49.57 50.30 67.91 49.55 50.26 68.33 3 0 9.60 -999 ? ND2 ASN B 140 >SER.B 22 52.28 50.97 72.38 52.90 52.02 74.51 52.59 51.50 73.44 2 0 10.31 -999 ? OD1 ASN B 140 >PRO.B 23 53.78 47.42 70.24 54.42 48.74 71.94 54.10 48.08 71.09 3 0 11.90 -999 ? CL CL A 135 >ASN.B 24 57.69 50.82 75.19 56.05 52.01 75.90 56.87 51.41 75.55 2 0 13.30 -999 ? CL CL A 135 >THR.B 25 60.85 49.06 72.15 61.24 47.44 73.55 61.05 48.25 72.85 2 0 10.40 -999 ? CL CL A 135 >THR~B 26 62.02 49.92 68.62 61.13 51.85 68.16 61.57 50.88 68.39 2 0 4.09 -999 ? CL CL A 135 >PRO~B 27 64.45 47.86 65.66 64.86 49.19 67.39 64.65 48.53 66.53 3 0 4.63 -999 ? CL CL A 135 >ALA~B 28 66.84 52.72 67.17 66.25 53.83 66.32 66.54 53.27 66.75 2 0 3.85 -999 ? CL CL A 135 >ALA~B 29 65.53 53.31 70.71 64.08 53.26 71.11 64.80 53.28 70.91 2 0 6.62 -999 ? CL CL A 135 >GLU~B 30 66.95 47.35 71.77 65.28 46.47 72.72 66.12 46.91 72.25 2 0 10.30 -999 ? CL CL A 135 >HIS~B 31 72.04 51.24 68.52 74.07 51.11 68.01 73.06 51.17 68.26 3 0 10.70 -999 ? CL CL A 135 >ILE~B 32 70.04 55.50 71.82 69.72 56.76 71.39 69.88 56.13 71.60 3 0 7.62 -999 ? CL CL B 135 >GLU~B 33 67.99 51.54 76.87 65.89 51.48 77.19 66.94 51.51 77.03 2 0 12.92 -999 ? CL CL A 135 >HIS~B 34 71.77 47.60 74.68 70.68 45.93 75.34 71.22 46.77 75.01 3 0 14.37 -999 ? CL CL A 135 >VAL~B 35 75.00 52.65 74.07 75.51 53.86 72.30 75.25 53.25 73.18 3 0 11.65 -999 ? CL CL B 135 >ARG~B 36 71.82 57.85 76.20 72.78 60.56 77.49 72.30 59.20 76.85 2 0 6.18 -999 ? CL CL B 135 >LYS.B 37 74.43 51.69 79.38 69.49 48.31 79.50 71.96 50.00 79.44 2 0 16.68 -999 ? CL CL B 135 >ASN~B 38 79.07 52.12 78.08 81.12 52.63 78.33 80.10 52.37 78.21 2 0 16.58 -999 ? CL CL B 135 >PRO~B 39 80.07 53.70 82.97 78.81 54.63 81.37 79.44 54.17 82.17 3 0 16.27 -999 ? CL CL B 135 >ARG~B 40 85.01 54.81 80.99 87.02 55.20 83.30 86.01 55.00 82.14 2 0 21.67 -999 ? CL CL B 135 >ARG~B 41 79.05 53.61 74.15 79.35 53.44 71.06 79.20 53.52 72.60 2 0 13.98 -999 ? CL CL B 135 >LYS~B 42 76.97 58.22 78.25 72.71 59.18 82.81 74.84 58.70 80.53 2 0 11.18 -999 ? CL CL B 135 >ALA~B 43 79.28 61.00 79.40 80.47 60.79 80.29 79.88 60.90 79.85 2 0 13.14 -999 ? CL CL B 135 >ALA~B 44 80.79 61.56 75.96 81.41 60.50 75.07 81.10 61.03 75.51 2 0 12.06 -999 ? CL CL B 135 >MET?B 45 77.25 62.03 74.59 74.67 58.83 73.28 75.96 60.43 73.93 2 0 6.73 -999 ? CL CL B 135 >ASP~B 46 76.28 63.71 79.07 74.82 62.24 79.55 75.55 62.98 79.31 2 0 8.33 -999 ? CL CL B 135 >ARG~B 47 82.62 66.32 78.76 82.60 63.24 79.27 82.61 64.78 79.02 2 0 14.14 -999 ? CL CL B 135 >ALA~B 48 78.12 66.92 73.43 78.08 65.78 72.43 78.10 66.35 72.93 2 0 8.40 -999 ? CL CL B 135 >ALA~B 49 74.48 67.50 74.41 73.61 66.56 75.24 74.05 67.03 74.82 2 0 5.21 -999 ? CL CL B 135 >ALA~B 50 75.50 70.29 76.79 76.43 70.09 77.98 75.96 70.19 77.38 2 0 10.44 -999 ? CL CL B 135 >ARG~B 51 81.26 71.00 73.83 81.95 68.14 72.89 81.60 69.57 73.36 2 0 12.80 -999 ? CL CL B 135 >ILE~B 52 74.14 70.61 71.08 73.94 69.69 70.09 74.04 70.15 70.59 3 0 8.03 -999 ? CL CL B 135 >ALA~B 53 72.35 73.09 74.45 72.13 72.43 75.80 72.24 72.76 75.13 2 0 9.50 -999 ? CL CL B 135 >ASP~B 54 75.98 76.34 74.96 76.56 75.97 76.96 76.27 76.16 75.96 2 0 14.56 -999 ? CL CL B 135 >LYS~B 55 74.06 77.00 71.06 78.75 75.11 67.21 76.40 76.06 69.14 2 0 15.54 -999 ? CL CL B 135 >ILE~B 56 69.59 75.14 72.05 68.66 74.05 71.91 69.13 74.60 71.98 3 0 11.04 -999 ? CL CL B 135 >ALA~B 57 70.01 78.84 74.56 70.68 78.64 75.92 70.34 78.74 75.24 2 0 15.32 -999 ? CL CL B 135 >LEU~B 58 73.43 81.55 72.48 74.92 83.05 71.99 74.18 82.30 72.23 3 0 17.54 -999 ? O ASN A 140 >LYS~B 59 70.09 81.23 69.57 70.88 81.29 64.00 70.49 81.26 66.79 2 0 13.00 -999 ? O ASN A 140 >ALA~B 60 66.68 81.14 71.26 66.19 79.76 71.65 66.43 80.45 71.46 2 0 11.26 -999 ? OD1 ASN A 140 >GLY~B 61 66.82 83.91 73.86 67.19 83.22 74.08 67.01 83.56 73.97 1 0 12.34 -999 ? O ASN A 140 >GLY.B 62 67.57 81.77 76.91 67.26 81.28 76.27 67.42 81.52 76.59 1 0 15.48 -999 ? CA ASN A 140 >GLU.B 63 67.55 76.43 80.00 69.64 76.15 79.64 68.60 76.29 79.82 2 0 14.21 -999 ? CL CL B 135 >THR~B 64 64.34 76.42 76.31 65.07 76.32 74.27 64.71 76.37 75.29 2 0 13.42 -999 ? OD1 ASN A 140 >PHE~B 65 60.93 71.49 77.94 60.42 69.04 79.19 60.68 70.26 78.57 3 0 12.74 -999 ? CL CL B 135 >VAL~B 66 64.86 71.12 75.15 64.67 70.59 73.06 64.76 70.85 74.10 3 0 8.98 -999 ? CL CL B 135 >SER~B 67 67.95 73.08 76.17 69.18 75.11 76.77 68.56 74.09 76.47 2 0 12.13 -999 ? CL CL B 135 >LEU~B 68 66.12 72.85 80.62 65.79 72.75 82.76 65.95 72.80 81.69 3 0 13.31 -999 ? CL CL B 135 >ARG~B 69 64.93 66.05 76.91 65.79 66.05 73.96 65.36 66.05 75.43 2 0 4.94 -999 ? CL CL B 135 >MET?B 70 69.95 68.39 77.33 69.67 69.04 73.11 69.81 68.71 75.22 2 0 -5.42 -999 ? CL CL B 135s >LYS~B 71 72.05 70.06 80.06 72.48 76.35 79.41 72.26 73.21 79.73 2 0 14.50 -999 ? CL CL B 135 >LYS~B 72 70.76 67.56 82.63 70.86 71.40 86.04 70.81 69.48 84.33 2 0 15.27 -999 ? CL CL B 135 >GLY.B 73 71.81 64.67 80.34 71.05 64.82 80.50 71.43 64.75 80.42 1 0 7.71 -999 ? CL CL B 135 >PHE.B 74 67.04 63.38 81.63 66.87 62.66 84.33 66.95 63.02 82.98 3 0 10.52 -999 ? CL CL B 135 >THR~B 75 67.51 62.01 76.03 68.31 60.01 75.71 67.91 61.01 75.87 2 0 4.86 -999 ? CL CL B 135 >GLN~B 76 61.78 63.08 73.85 61.09 63.62 71.91 61.44 63.35 72.88 2 0 8.93 -999 ? CL CL B 135 >SER~B 77 63.32 58.89 75.85 63.50 56.50 75.36 63.41 57.70 75.61 2 0 9.94 -999 ? CL CL B 135 >GLU~B 78 67.45 58.13 79.19 69.44 58.72 78.75 68.45 58.42 78.97 2 0 7.65 -999 ? CL CL B 135 >LEU~B 79 63.30 63.48 79.90 62.53 65.26 80.90 62.91 64.37 80.40 3 0 10.31 -999 ? CL CL B 135 >ALA~B 80 59.81 60.58 79.29 59.46 60.12 77.86 59.64 60.35 78.57 2 0 12.13 -999 ? CL CL B 135 >THR~B 81 60.54 57.44 81.32 61.50 55.59 80.78 61.02 56.52 81.05 2 0 14.08 -999 ? CL CL B 135 >ALA~B 82 61.75 59.40 84.36 62.96 60.33 84.34 62.35 59.87 84.35 2 0 13.80 -999 ? CL CL B 135 >ALA~B 83 58.65 61.67 84.39 58.69 62.98 83.60 58.67 62.33 83.99 2 0 15.55 -999 ? CL CL B 135 >GLY.B 84 56.02 58.95 83.86 56.19 59.58 83.35 56.11 59.26 83.60 1 0 16.41 -999 ? OD1 ASN B 140 >LEU.B 85 55.51 61.86 80.23 54.63 63.67 80.99 55.07 62.76 80.61 3 0 15.52 -999 ? OD1 ASN B 140 >PRO~B 86 52.28 59.24 77.55 54.53 59.36 77.62 53.40 59.30 77.58 3 0 11.61 -999 ? OD1 ASN B 140 >GLN~B 87 59.57 59.71 73.21 61.17 58.29 72.96 60.37 59.00 73.08 2 0 10.30 -999 ? CL CL B 135 >PRO~B 88 54.42 59.06 71.45 55.41 60.87 72.31 54.92 59.97 71.88 3 0 10.48 -999 ? CL CL A 138 >TYR~B 89 51.98 64.39 76.41 50.64 66.52 77.64 51.31 65.45 77.03 3 0 10.43 -999 ? CL CL A 138 >LEU~B 90 58.06 63.85 76.17 59.58 64.64 77.57 58.82 64.25 76.87 3 0 11.85 -999 ? CL CL B 135 >SER~B 91 57.91 65.52 71.93 58.00 65.24 69.51 57.95 65.38 70.72 2 0 10.13 -999 ? CL CL A 138 >ARG~B 92 51.53 65.90 70.82 49.16 66.10 72.78 50.35 66.00 71.80 2 0 5.76 -999 ? CL CL A 138 >ILE~B 93 56.14 68.78 76.37 55.92 68.51 77.72 56.03 68.64 77.05 3 0 12.81 -999 ? CL CL A 138 >GLU~B 94 60.60 68.28 74.37 62.35 67.08 74.21 61.47 67.68 74.29 2 0 8.46 -999 ? CL CL B 135 >ASN~B 95 58.18 70.25 68.99 60.13 69.43 69.01 59.15 69.84 69.00 2 0 12.07 -999 ? CL CL B 135 >SER~B 96 54.25 71.89 69.52 54.36 69.71 68.44 54.31 70.80 68.98 2 0 7.06 -999 ? CL CL A 138 >LYS.B 97 52.44 72.62 72.84 49.17 69.91 75.61 50.81 71.27 74.22 2 0 9.22 -999 ? CL CL A 138 >GLN.B 98 49.94 76.88 71.92 48.10 77.70 71.19 49.02 77.29 71.56 2 0 3.55 -999 ? UNK UNX C 216 >SER.B 99 50.85 75.22 77.76 48.45 75.50 77.72 49.65 75.36 77.74 2 0 9.14 -999 ? UNK UNX C 220 >LEU.B 100 52.94 72.54 81.08 54.79 71.72 80.25 53.87 72.13 80.66 3 0 15.48 -999 ? UNK UNX C 220 >GLN~B 101 47.22 70.02 82.14 46.39 68.06 82.12 46.80 69.04 82.13 2 0 12.97 -999 ? UNK UNX A 203 >ASP~B 102 49.62 72.57 87.89 50.87 72.99 89.56 50.24 72.78 88.73 2 0 21.22 -999 ? UNK UNX C 220 >LYS~B 103 50.63 68.23 87.34 46.00 64.71 88.08 48.32 66.47 87.71 2 0 16.85 -999 ? OD1 ASN B 140 >THR~B 104 52.99 67.84 84.36 52.40 67.65 82.29 52.69 67.74 83.32 2 0 15.78 -999 ? CL CL A 138 >VAL~B 105 55.29 70.73 85.34 55.02 72.88 85.39 55.15 71.80 85.36 3 0 19.82 -999 ? UNK UNX C 220 >GLN~B 106 54.06 70.21 90.15 53.21 70.28 92.09 53.63 70.25 91.12 2 0 24.99 -999 ? UNK UNX C 220 >LYS~B 107 56.30 65.48 87.18 51.12 63.44 86.01 53.71 64.46 86.59 2 0 16.31 -999 ? OD1 ASN B 140 >LEU~B 108 58.60 68.07 83.80 58.13 67.72 81.73 58.36 67.90 82.77 3 0 15.80 -999 ? CL CL B 135 >ALA~B 109 60.47 69.25 87.66 59.72 70.24 88.52 60.09 69.74 88.09 2 0 19.80 -999 ? CL CL B 135 >ASN~B 110 59.86 65.24 90.35 58.60 66.17 91.79 59.23 65.70 91.07 2 0 22.17 -999 ? CL CL B 135 >ALA~B 111 62.44 64.12 86.91 61.77 63.87 85.59 62.10 64.00 86.25 2 0 15.09 -999 ? CL CL B 135 >LEU~B 112 64.67 68.00 85.26 64.43 68.14 83.15 64.55 68.07 84.21 3 0 13.28 -999 ? CL CL B 135 >GLY~B 113 65.39 67.89 89.82 65.30 68.35 89.17 65.34 68.12 89.50 1 0 18.02 -999 ? CL CL B 135 >VAL.B 114 64.78 71.61 89.21 65.14 71.71 87.03 64.96 71.66 88.12 3 0 17.90 -999 ? CL CL B 135 >SER~B 115 62.08 74.07 90.38 62.48 76.43 89.90 62.28 75.25 90.14 2 0 22.54 -999 ? CL CL B 135 >PRO~B 116 57.72 73.80 90.80 59.18 74.34 89.20 58.45 74.07 90.00 3 0 23.09 -999 ? CL CL B 135 >LEU~B 117 60.30 79.10 88.91 60.46 81.24 88.45 60.38 80.17 88.68 3 0 23.00 -999 ? N ASN A 140 >GLU~B 118 65.10 76.74 86.86 66.90 75.69 86.48 66.00 76.21 86.67 2 0 18.40 -999 ? CL CL B 135 >VAL~B 119 60.54 74.32 84.01 59.70 72.32 84.34 60.12 73.32 84.18 3 0 17.82 -999 ? CL CL B 135 >ARG~B 120 54.80 77.42 85.61 52.84 75.26 86.64 53.82 76.34 86.13 2 0 18.89 -999 ? UNK UNX C 218 >ALA~B 121 60.53 79.70 82.47 61.64 80.22 83.36 61.09 79.96 82.92 2 0 18.29 -999 ? N ASN A 140 >ALA~B 122 62.12 77.30 79.99 62.69 75.94 80.37 62.40 76.62 80.18 2 0 16.13 -999 ? CL CL B 135 >PHE~B 123 56.53 75.30 78.29 54.38 74.37 76.75 55.46 74.84 77.52 3 0 13.18 -999 ? UNK UNX C 214 >GLU~B 124 56.49 80.57 80.11 54.56 80.52 79.21 55.52 80.54 79.66 2 0 12.81 -999 ? UNK UNX C 216 >ARG~B 125 63.30 82.30 77.55 64.86 81.56 80.10 64.08 81.93 78.83 2 0 16.36 -999 ? N ASN A 140 >ARG~B 126 56.26 77.05 73.79 57.05 74.13 74.30 56.66 75.59 74.04 2 0 11.36 -999 ? ND2 ASN A 140 >TYR~B 127 55.25 82.01 73.87 53.33 80.00 74.02 54.29 81.01 73.95 3 0 8.72 -999 ? ND2 ASN A 140 >GLU.B 128 59.39 87.90 70.19 61.24 87.31 69.36 60.32 87.61 69.78 2 0 5.49 -999 ? O ASN A 140 >TYR^B 129 56.88 87.33 76.78 55.73 85.01 77.86 56.31 86.17 77.32 3 0 10.65 -999 ? N ASN A 140 >MET?B 130 57.37 92.66 74.77 54.90 92.36 71.33 56.14 92.51 73.05 2 0 8.35 -999 ? N ASN A 140 >ILE^C 1 53.25 82.78 49.84 53.46 81.59 49.33 53.36 82.18 49.58 3 0 14.72 -999 ? OXT ASN A 140 >PRO^C 2 50.89 87.43 52.42 52.82 86.26 52.43 51.86 86.85 52.43 3 0 12.60 -999 ? OXT ASN A 140 >VAL^C 3 53.91 86.76 56.67 55.93 85.77 56.74 54.92 86.26 56.70 3 0 7.43 -999 ? OXT ASN A 140 >THR^C 4 52.21 89.50 58.77 50.39 89.89 57.69 51.30 89.69 58.23 2 0 10.52 -999 ? OXT ASN A 140 >HIS^C 5 55.18 90.15 62.43 56.85 89.32 61.47 56.01 89.74 61.95 3 0 5.50 -999 ? OXT ASN A 140 >ILE^C 6 48.44 89.43 64.60 47.69 88.42 64.08 48.07 88.93 64.34 3 0 7.73 -999 ? N ASN C 140 >LYS^C 7 49.62 91.23 68.62 50.30 96.55 71.62 49.96 93.89 70.12 2 0 -6.67 -999 ? N ASN C 140s >CSS^C 8 48.19 88.49 70.83 47.85 86.70 68.66 48.02 87.60 69.75 2 0 5.93 -999 ? N ASN C 140 >LEU^C 9 45.93 88.70 75.03 45.47 89.92 76.77 45.70 89.31 75.90 3 0 -3.26 -999 ? OXT ASN C 140s >ARG^C 10 51.88 83.05 76.68 51.16 80.13 77.33 51.52 81.59 77.01 2 0 9.29 -999 ? UNK UNX C 216 >ILE^C 11 45.76 85.98 79.85 44.40 86.28 80.11 45.08 86.13 79.98 3 0 8.10 -999 ? OXT ASN C 140 >ASN^C 12 47.22 82.39 83.35 48.05 81.62 85.16 47.63 82.01 84.25 2 0 15.25 -999 ? UNK UNX C 218 >GLY^C 13 48.79 79.36 79.75 48.26 79.94 79.61 48.52 79.65 79.68 1 0 10.36 -999 ? UNK UNX C 218 >GLN^C 14 43.61 80.49 77.15 41.94 81.36 78.15 42.78 80.92 77.65 2 0 8.02 -999 ? UNK UNX C 218 >ILE^C 15 47.37 82.19 72.89 48.61 82.30 72.17 47.99 82.25 72.53 3 0 4.09 -999 ? UNK UNX C 216 >LYS^C 16 43.72 85.07 73.00 39.27 86.05 77.31 41.50 85.56 75.15 2 0 -6.44 -999 ? OD1 ASN C 140s >CSS^C 17 44.32 86.54 69.52 46.61 85.08 68.87 45.46 85.81 69.20 2 0 -4.82 -999 ? UNK UNX C 217s >VAL^C 18 40.78 87.21 68.41 39.34 85.89 67.47 40.06 86.55 67.94 3 0 -4.96 -999 ? ND2 ASN C 140s >LYS^C 19 39.08 90.32 69.78 41.13 95.79 67.62 40.10 93.06 68.70 2 0 -6.81 -999 ? O ASN C 140s >PRO^C 20 35.24 88.22 70.71 36.02 89.83 69.34 35.63 89.03 70.02 3 0 6.41 -999 ? ND2 ASN C 140 >ILE^C 21 33.56 94.35 68.10 33.42 94.26 67.22 33.49 94.30 67.66 3 0 10.48 -999 ? ND2 ASN C 140 >SER^C 22 31.09 93.62 72.13 30.88 93.10 74.52 30.98 93.36 73.33 2 0 11.61 -999 ? OD1 ASN C 140 >PRO^C 23 28.28 95.54 69.34 28.52 95.36 71.58 28.40 95.45 70.46 3 0 10.82 -999 ? CL CL C 136 >ASN^C 24 25.44 93.29 75.00 27.17 92.54 76.00 26.30 92.92 75.50 2 0 13.68 -999 ? CL CL C 136 >THR^C 25 22.65 95.73 72.75 22.56 97.88 73.12 22.60 96.80 72.94 2 0 10.54 -999 ? CL CL C 136 >THR^C 26 21.42 94.79 69.28 22.35 92.89 68.79 21.89 93.84 69.03 2 0 5.02 -999 ? CL CL C 136 >PRO^C 27 18.92 96.86 66.41 18.56 95.51 68.16 18.74 96.19 67.28 3 0 4.76 -999 ? CL CL C 136 >ALA^C 28 16.60 92.01 67.90 17.15 90.93 67.00 16.88 91.47 67.45 2 0 4.11 -999 ? CL CL C 136 >ALA^C 29 17.99 91.32 71.39 19.46 91.37 71.80 18.73 91.35 71.60 2 0 7.49 -999 ? CL CL C 136 >GLU^C 30 16.53 97.21 72.65 18.21 98.10 73.57 17.37 97.65 73.11 2 0 10.83 -999 ? CL CL C 136 >HIS^C 31 11.44 93.28 69.39 9.40 93.42 68.93 10.42 93.35 69.16 3 0 10.62 -999 ? CL CL C 136 >ILE^C 32 13.57 89.01 72.53 13.90 87.77 72.07 13.73 88.39 72.30 3 0 7.65 -999 ? CL CL C 134 >GLU^C 33 15.64 92.89 77.64 17.72 92.99 77.93 16.68 92.94 77.78 2 0 10.45 -999 ? CL CL C 137 >HIS^C 34 11.77 96.82 75.64 12.85 98.49 76.33 12.31 97.65 75.98 3 0 14.74 -999 ? CL CL C 136 >VAL^C 35 8.60 91.72 74.98 8.09 90.55 73.20 8.35 91.14 74.09 3 0 11.75 -999 ? CL CL C 134 >ARG^C 36 11.99 86.65 77.56 11.10 83.72 78.26 11.55 85.19 77.91 2 0 6.19 -999 ? CL CL C 137 >LYS^C 37 9.29 92.54 80.33 14.15 96.08 80.41 11.72 94.31 80.37 2 0 11.58 -999 ? CL CL C 137 >ASN^C 38 4.62 92.11 79.12 2.59 91.51 79.41 3.61 91.81 79.26 2 0 13.91 -999 ? CL CL C 137 >PRO^C 39 3.78 90.36 83.97 5.01 89.50 82.31 4.39 89.93 83.14 3 0 10.95 -999 ? CL CL C 137 >ARG^C 40 -1.17 89.17 82.06 -3.14 88.69 84.37 -2.16 88.93 83.21 2 0 17.70 -999 ? CL CL C 137 >ARG^C 41 4.63 90.71 75.12 4.24 90.98 72.05 4.43 90.84 73.59 2 0 13.98 -999 ? CL CL C 134 >LYS^C 42 6.85 86.01 79.03 11.23 84.96 83.40 9.04 85.49 81.21 2 0 -2.90 -999 ? CL CL C 137s >ALA^C 43 4.61 83.19 80.19 3.42 83.39 81.11 4.01 83.29 80.65 2 0 11.08 -999 ? CL CL C 137 >ALA^C 44 3.01 82.66 76.77 2.37 83.73 75.90 2.69 83.20 76.34 2 0 12.13 -999 ? CL CL C 134 >MET?C 45 6.54 82.28 75.35 9.00 85.63 74.06 7.77 83.95 74.70 2 0 6.89 -999 ? CL CL C 134 >ASP^C 46 7.62 80.49 79.74 9.09 81.97 80.24 8.36 81.23 79.99 2 0 6.70 -999 ? CL CL C 137 >ARG^C 47 1.34 77.82 79.50 1.31 80.90 80.07 1.32 79.36 79.78 2 0 13.87 -999 ? CL CL C 137 >ALA^C 48 5.70 77.41 74.04 5.68 78.57 73.07 5.69 77.99 73.55 2 0 8.36 -999 ? CL CL C 134 >ALA^C 49 9.40 76.86 74.91 10.28 77.79 75.73 9.84 77.32 75.32 2 0 5.37 -999 ? CL CL C 134 >ALA^C 50 8.46 73.99 77.27 7.55 74.11 78.48 8.01 74.05 77.88 2 0 10.66 -999 ? CL CL C 134 >ARG^C 51 2.68 73.30 74.43 1.86 76.11 73.53 2.27 74.71 73.98 2 0 12.78 -999 ? CL CL C 134 >ILE^C 52 9.71 73.88 71.49 9.88 74.84 70.49 9.80 74.36 70.99 3 0 7.77 -999 ? CL CL C 134 >ALA^C 53 11.66 71.33 74.73 11.93 71.94 76.09 11.79 71.63 75.41 2 0 9.55 -999 ? CL CL C 134 >ASP^C 54 8.05 68.02 75.24 7.49 68.25 77.28 7.77 68.13 76.26 2 0 14.66 -999 ? CL CL C 134 >LYS^C 55 9.92 67.47 71.28 5.14 69.44 67.62 7.53 68.46 69.45 2 0 15.18 -999 ? CL CL C 134 >ILE^C 56 14.35 69.40 72.20 15.26 70.54 72.07 14.80 69.97 72.13 3 0 10.88 -999 ? CL CL C 134 >ALA^C 57 14.06 65.66 74.64 13.42 65.82 76.01 13.74 65.74 75.32 2 0 15.27 -999 ? CL CL C 134 >LEU^C 58 10.63 62.95 72.54 9.13 61.43 72.07 9.88 62.19 72.30 3 0 17.74 -999 ? O ASN D 140 >LYS^C 59 13.92 63.38 69.62 12.96 63.38 64.09 13.44 63.38 66.85 2 0 13.04 -999 ? CB ASN D 140 >ALA^C 60 17.36 63.49 71.22 17.83 64.86 71.66 17.60 64.17 71.44 2 0 11.02 -999 ? ND2 ASN D 140 >GLY^C 61 17.40 60.62 73.74 17.00 61.28 73.98 17.20 60.95 73.86 1 0 11.67 -999 ? O ASN D 140 >GLY^C 62 16.69 62.69 76.86 16.97 63.20 76.22 16.83 62.94 76.54 1 0 14.56 -999 ? O ASN D 140 >GLU^C 63 16.58 67.94 80.06 14.48 68.18 79.80 15.53 68.06 79.93 2 0 14.37 -999 ? CL CL C 134 >THR^C 64 19.72 68.09 76.35 18.91 68.27 74.38 19.32 68.18 75.37 2 0 12.59 -999 ? ND2 ASN D 140 >PHE^C 65 23.10 73.06 77.99 23.60 75.46 79.34 23.35 74.26 78.66 3 0 12.54 -999 ? CL CL C 139 >VAL^C 66 19.11 73.43 75.34 19.22 74.05 73.26 19.17 73.74 74.30 3 0 8.99 -999 ? CL CL C 134 >SER^C 67 16.07 71.38 76.36 14.98 69.27 76.99 15.52 70.33 76.67 2 0 12.26 -999 ? CL CL C 134 >LEU^C 68 17.98 71.53 80.78 18.31 71.59 82.92 18.14 71.56 81.85 3 0 13.21 -999 ? CL CL C 135 >ARG^C 69 19.00 78.41 77.25 18.10 78.43 74.31 18.55 78.42 75.78 2 0 5.14 -999 ? CL CL C 134 >MET?C 70 14.02 76.00 77.72 14.01 75.51 73.57 14.01 75.76 75.65 2 0 -5.30 -999 ? CL CL C 134s >LYS^C 71 11.98 74.21 80.42 11.69 67.95 79.59 11.84 71.08 80.00 2 0 14.59 -999 ? CL CL C 134 >LYS^C 72 13.27 76.65 83.06 13.30 72.72 86.25 13.28 74.69 84.66 2 0 12.53 -999 ? CL CL C 137 >GLY^C 73 12.14 79.60 80.91 12.90 79.46 81.03 12.52 79.53 80.97 1 0 6.25 -999 ? CL CL C 137 >PHE^C 74 16.92 80.94 82.07 17.14 81.59 84.78 17.03 81.27 83.43 3 0 4.67 -999 ? CL CL C 137 >THR^C 75 16.30 82.43 76.51 15.49 84.41 76.27 15.90 83.42 76.39 2 0 5.24 -999 ? CL CL C 134 >GLN^C 76 21.99 81.53 74.21 22.69 81.05 72.28 22.34 81.29 73.24 2 0 8.97 -999 ? CL CL C 134 >SER^C 77 20.43 85.64 76.33 20.17 88.01 75.93 20.30 86.83 76.13 2 0 10.14 -999 ? CL CL C 134 >GLU^C 78 16.37 86.26 79.83 14.37 85.70 79.41 15.37 85.98 79.62 2 0 4.19 -999 ? CL CL C 137 >LEU^C 79 20.66 81.00 80.23 21.46 79.24 81.19 21.06 80.12 80.71 3 0 8.89 -999 ? CL CL C 137 >ALA^C 80 24.02 83.94 79.64 24.32 84.45 78.23 24.17 84.20 78.93 2 0 11.49 -999 ? CL CL C 137 >THR^C 81 23.31 87.00 81.79 22.32 88.81 81.35 22.81 87.90 81.57 2 0 9.32 -999 ? CL CL C 137 >ALA^C 82 22.20 84.97 84.85 21.03 84.01 84.85 21.62 84.49 84.85 2 0 7.09 -999 ? CL CL C 137 >ALA^C 83 25.32 82.75 84.68 25.25 81.45 83.86 25.28 82.10 84.27 2 0 11.66 -999 ? CL CL C 137 >GLY^C 84 27.94 85.51 84.21 27.75 84.90 83.70 27.84 85.21 83.96 1 0 13.84 -999 ? CL CL C 137 >LEU^C 85 28.42 82.73 80.46 29.31 80.89 81.18 28.87 81.81 80.82 3 0 13.18 -999 ? CL CL C 138 >PRO^C 86 31.54 85.52 77.81 29.29 85.35 77.93 30.42 85.43 77.87 3 0 13.06 -999 ? CL CL C 138 >GLN^C 87 24.15 84.96 73.59 22.52 86.33 73.44 23.33 85.65 73.51 2 0 10.40 -999 ? CL CL C 134 >PRO^C 88 29.24 85.76 71.74 28.31 83.91 72.58 28.78 84.84 72.16 3 0 10.96 -999 ? CL CL C 138 >TYR^C 89 31.90 80.34 76.50 33.30 78.20 77.65 32.60 79.27 77.07 3 0 7.85 -999 ? CL CL C 138 >LEU^C 90 25.79 80.78 76.43 24.32 79.95 77.81 25.06 80.36 77.12 3 0 12.00 -999 ? CL CL C 138 >SER^C 91 25.91 79.24 72.15 25.65 79.55 69.78 25.78 79.39 70.97 2 0 9.10 -999 ? CL CL C 138 >ARG^C 92 32.24 79.04 70.89 34.64 78.77 72.83 33.44 78.91 71.86 2 0 -4.46 -999 ? CL CL C 138s >ILE^C 93 27.82 75.87 76.46 28.09 76.12 77.83 27.96 76.00 77.14 3 0 8.52 -999 ? CL CL C 139 >GLU^C 94 23.29 76.35 74.58 21.54 77.55 74.49 22.41 76.95 74.53 2 0 8.58 -999 ? CL CL C 134 >ASN^C 95 25.62 74.54 69.10 23.69 75.33 69.21 24.65 74.94 69.15 2 0 9.97 -999 ? CL CL C 138 >SER^C 96 29.57 72.98 69.49 29.37 75.20 68.41 29.47 74.09 68.95 2 0 4.68 -999 ? CL CL C 138 >LYS^C 97 31.46 72.18 72.75 34.75 74.92 75.61 33.11 73.55 74.18 2 0 -3.28 -999 ? CL CL C 139s >GLN^C 98 34.01 67.93 71.68 35.88 67.22 70.89 34.94 67.58 71.29 2 0 -3.18 -999 ? UNK UNX A 201s >SER^C 99 33.26 69.50 77.55 35.65 69.26 77.51 34.46 69.38 77.53 2 0 -4.21 -999 ? CL CL C 139s >LEU^C 100 31.18 72.03 80.98 29.29 72.88 80.30 30.23 72.46 80.64 3 0 7.86 -999 ? CL CL C 139 >GLN^C 101 36.85 74.63 81.97 37.64 76.60 81.98 37.25 75.61 81.98 2 0 9.40 -999 ? CL CL C 139 >ASP^C 102 34.63 71.87 87.71 33.43 71.37 89.39 34.03 71.62 88.55 2 0 8.15 -999 ? CL CL C 135 >LYS^C 103 33.55 76.23 87.32 38.11 79.84 88.03 35.83 78.04 87.68 2 0 16.17 -999 ? CL CL C 139 >THR^C 104 31.11 76.68 84.41 31.63 76.99 82.34 31.37 76.84 83.37 2 0 10.03 -999 ? CL CL C 139 >VAL^C 105 28.91 73.71 85.36 29.18 71.55 85.34 29.04 72.63 85.35 3 0 7.91 -999 ? CL CL C 135 >GLN^C 106 30.16 74.10 90.14 31.04 73.97 92.07 30.60 74.04 91.10 2 0 9.62 -999 ? CL CL C 135 >LYS^C 107 27.78 78.89 87.37 32.91 80.96 86.13 30.34 79.92 86.75 2 0 15.01 -999 ? CL CL C 139 >LEU^C 108 25.48 76.37 83.94 25.92 76.76 81.86 25.70 76.56 82.90 3 0 12.59 -999 ? CL CL C 135 >ALA^C 109 23.74 75.05 87.81 24.56 74.08 88.65 24.15 74.56 88.23 2 0 9.07 -999 ? CL CL C 135 >ASN^C 110 24.33 78.97 90.57 25.62 78.04 91.99 24.97 78.50 91.28 2 0 -13.05 -999 ? CL CL C 135s >ALA^C 111 21.64 80.18 87.27 22.29 80.50 85.93 21.97 80.34 86.60 2 0 9.59 -999 ? CL CL C 137 >LEU^C 112 19.44 76.29 85.53 19.63 76.22 83.40 19.54 76.26 84.46 3 0 10.26 -999 ? CL CL C 137 >GLY^C 113 18.81 76.28 90.09 18.91 75.82 89.43 18.86 76.05 89.76 1 0 11.83 -999 ? CL CL C 137 >VAL^C 114 19.46 72.57 89.40 19.09 72.52 87.20 19.27 72.55 88.30 3 0 10.96 -999 ? CL CL C 135 >SER^C 115 22.23 70.14 90.46 21.67 67.78 89.97 21.95 68.96 90.21 2 0 6.56 -999 ? CL CL C 135 >PRO^C 116 26.60 70.42 90.78 25.11 69.94 89.21 25.86 70.18 89.99 3 0 5.13 -999 ? CL CL C 135 >LEU^C 117 24.02 65.16 88.80 23.92 62.99 88.30 23.97 64.08 88.55 3 0 -4.05 -999 ? CL CL C 135s >GLU^C 118 19.20 67.52 86.91 17.37 68.48 86.56 18.28 68.00 86.73 2 0 10.97 -999 ? CL CL C 135 >VAL^C 119 23.63 70.09 84.01 24.42 72.10 84.35 24.03 71.09 84.18 3 0 8.03 -999 ? CL CL C 135 >ARG^C 120 29.47 67.06 85.41 31.41 69.15 86.53 30.44 68.10 85.97 2 0 5.56 -999 ? CL CL C 135 >ALA^C 121 23.68 64.78 82.36 22.64 64.12 83.25 23.16 64.45 82.81 2 0 7.60 -999 ? CL CL C 135 >ALA^C 122 21.99 67.19 79.96 21.40 68.52 80.34 21.69 67.86 80.15 2 0 10.89 -999 ? CL CL C 135 >PHE^C 123 27.52 69.29 78.21 29.63 70.31 76.65 28.57 69.80 77.43 3 0 7.33 -999 ? CL CL C 139 >GLU^C 124 27.69 64.00 79.88 29.60 64.09 78.98 28.65 64.04 79.43 2 0 10.02 -999 ? CL CL C 135 >ARG^C 125 20.86 62.19 77.40 19.35 62.88 80.02 20.11 62.53 78.71 2 0 12.37 -999 ? CL CL C 135 >ARG^C 126 27.75 67.66 73.71 26.90 70.57 74.25 27.33 69.11 73.98 2 0 8.09 -999 ? CL CL C 139 >TYR^C 127 28.85 62.75 73.62 30.69 64.82 73.76 29.77 63.79 73.69 3 0 8.78 -999 ? UNK UNX A 207 >GLU^C 128 24.71 56.88 69.86 22.82 57.47 69.13 23.76 57.17 69.49 2 0 5.16 -999 ? O ASN D 140 >TYR^C 129 27.32 57.32 76.42 28.42 59.63 77.54 27.87 58.48 76.98 3 0 10.73 -999 ? O ASN D 140 >MET?C 130 26.91 52.03 74.28 29.21 52.44 70.82 28.06 52.24 72.55 2 0 -4.77 -999 ? CL CL B 134s >GLU^C 131 27.37 49.36 79.43 28.76 50.90 79.89 28.07 50.13 79.66 2 0 8.15 -999 ? CL CL B 134 >ILE^D 1 37.04 56.39 88.85 37.41 56.83 89.63 37.23 56.61 89.24 3 0 13.08 -999 ? CL CL C 135 >PRO^D 2 32.86 54.44 85.35 35.13 54.38 85.51 33.99 54.41 85.43 3 0 13.14 -999 ? O ASN B 140 >VAL^D 3 35.45 54.27 81.17 37.29 53.17 80.59 36.37 53.72 80.88 3 0 8.01 -999 ? O ASN B 140 >THR^D 4 32.48 54.83 78.78 31.18 56.14 79.96 31.83 55.49 79.37 2 0 10.73 -999 ? O ASN B 140 >HIS^D 5 33.79 52.11 75.00 35.37 51.08 75.92 34.58 51.60 75.46 3 0 4.77 -999 ? O ASN B 140 >ILE^D 6 30.82 58.25 72.93 31.33 59.44 73.42 31.07 58.85 73.17 3 0 8.22 -999 ? O ASN D 140 >LYS^D 7 29.79 56.35 68.96 25.51 53.07 66.05 27.65 54.71 67.50 2 0 -2.90 -999 ? CL CL A 137s >CSS^D 8 31.33 59.02 66.70 32.76 60.26 68.84 32.04 59.64 67.77 2 0 6.16 -999 ? N ASN D 140 >LEU^D 9 29.87 60.81 62.52 28.52 60.58 60.84 29.19 60.70 61.68 3 0 -3.84 -999 ? N ASN D 140s >ARG^D 10 37.73 58.67 60.68 39.84 60.82 60.01 38.78 59.74 60.35 2 0 9.07 -999 ? UNK UNX A 208 >ILE^D 11 31.96 62.39 57.68 30.98 63.39 57.47 31.47 62.89 57.57 3 0 7.71 -999 ? OD1 ASN D 140 >ASN^D 12 35.67 63.01 54.05 36.71 62.71 52.19 36.19 62.86 53.12 2 0 9.11 -999 ? CL CL A 136 >GLY^D 13 39.20 63.18 57.56 38.43 63.34 57.72 38.82 63.26 57.64 1 0 9.98 -999 ? UNK UNX A 208 >GLN^D 14 35.67 67.06 60.25 34.02 68.06 59.31 34.84 67.56 59.78 2 0 8.00 -999 ? UNK UNX A 209 >ILE^D 15 36.25 62.93 64.50 36.79 61.81 65.20 36.52 62.37 64.85 3 0 4.07 -999 ? UNK UNX A 208 >LYS^D 16 31.92 64.59 64.52 28.61 67.90 60.34 30.27 66.24 62.43 2 0 -4.65 -999 ? OD1 ASN D 140s >CSS^D 17 31.08 63.31 68.02 33.55 62.14 68.67 32.32 62.73 68.34 2 0 4.26 -999 ? UNK UNX A 207 >VAL^D 18 28.72 65.99 69.20 29.13 67.93 70.15 28.93 66.96 69.67 3 0 -5.52 -999 ? ND2 ASN D 140s >LYS^D 19 25.14 65.83 67.95 21.55 61.28 70.23 23.34 63.56 69.09 2 0 -6.36 -999 ? O ASN D 140s >PRO^D 20 25.03 70.01 66.57 23.91 68.72 68.08 24.47 69.36 67.33 3 0 5.49 -999 ? ND2 ASN D 140 >ILE^D 21 18.76 68.16 69.04 18.82 68.20 69.93 18.79 68.18 69.49 3 0 9.63 -999 ? ND2 ASN D 140 >SER^D 22 17.81 70.70 65.36 18.31 71.53 63.10 18.06 71.11 64.23 2 0 10.38 -999 ? OD1 ASN D 140 >PRO^D 23 13.82 69.92 67.19 14.80 71.39 65.79 14.31 70.65 66.49 3 0 11.99 -999 ? CL CL C 134 >ASN^D 24 16.12 75.61 63.83 17.85 74.37 63.94 16.99 74.99 63.88 2 0 11.77 -999 ? CL CL C 134 >THR^D 25 11.84 77.28 65.42 10.34 76.56 64.00 11.09 76.92 64.71 2 0 10.43 -999 ? CL CL C 134 >THR^D 26 12.22 78.68 68.95 14.34 78.87 69.38 13.28 78.77 69.16 2 0 4.06 -999 ? CL CL C 134 >PRO^D 27 9.23 79.76 71.91 10.17 80.77 70.17 9.70 80.26 71.04 3 0 4.49 -999 ? CL CL C 134 >ALA^D 28 12.23 84.23 70.40 13.49 84.27 71.26 12.86 84.25 70.83 2 0 3.89 -999 ? CL CL C 134 >ALA^D 29 13.40 83.42 66.86 14.09 82.15 66.46 13.75 82.78 66.66 2 0 6.62 -999 ? CL CL C 134 >GLU^D 30 7.52 81.66 65.80 7.59 79.77 64.85 7.56 80.72 65.32 2 0 10.20 -999 ? CL CL C 134 >HIS^D 31 8.33 88.00 69.04 7.21 89.70 69.56 7.77 88.85 69.30 3 0 10.68 -999 ? CL CL C 134 >ILE^D 32 13.04 88.41 65.75 14.29 88.77 66.17 13.67 88.59 65.96 3 0 7.55 -999 ? CL CL C 136 >GLU^D 33 10.63 84.64 60.69 11.61 82.78 60.39 11.12 83.71 60.54 2 0 12.87 -999 ? CL CL C 134 >HIS^D 34 5.34 85.94 62.87 4.45 84.16 62.22 4.89 85.05 62.54 3 0 14.29 -999 ? CL CL C 134 >VAL^D 35 8.09 91.26 63.49 8.86 92.31 65.26 8.47 91.78 64.37 3 0 11.45 -999 ? CL CL C 136 >ARG^D 36 14.17 91.15 61.36 16.06 93.32 60.06 15.11 92.23 60.71 2 0 5.86 -999 ? CL CL C 136 >LYS^D 37 7.55 90.29 58.18 7.06 84.32 58.07 7.30 87.31 58.12 2 0 16.52 -999 ? CL CL C 136 >ASN^D 38 5.61 94.53 59.49 5.01 96.56 59.22 5.31 95.54 59.35 2 0 16.27 -999 ? CL CL C 136 >PRO^D 39 6.47 96.19 54.58 7.90 95.56 56.19 7.18 95.88 55.39 3 0 15.94 -999 ? CL CL C 136 >ARG^D 40 4.96 101.00 56.56 4.29 102.95 54.26 4.62 101.98 55.41 2 0 21.32 -999 ? CL CL C 136 >ARG^D 41 6.91 95.24 63.41 6.60 95.43 66.50 6.76 95.33 64.96 2 0 13.75 -999 ? CL CL C 136 >LYS^D 42 11.93 95.74 59.32 14.92 92.55 54.75 13.42 94.14 57.03 2 0 10.88 -999 ? CL CL C 136 >ALA^D 43 13.17 99.14 58.15 12.36 100.10 57.26 12.76 99.62 57.71 2 0 12.83 -999 ? CL CL C 136 >ALA^D 44 12.91 100.73 61.60 11.68 100.73 62.47 12.29 100.73 62.04 2 0 11.75 -999 ? CL CL C 136 >MET?D 45 15.10 97.91 62.96 13.60 94.10 64.36 14.35 96.01 63.66 2 0 6.48 -999 ? CL CL C 136 >ASP^D 46 17.03 97.90 58.49 16.47 95.91 58.01 16.75 96.91 58.25 2 0 8.00 -999 ? CL CL C 136 >ARG^D 47 16.12 104.69 58.79 13.46 103.14 58.26 14.79 103.92 58.52 2 0 13.83 -999 ? CL CL C 136 >ALA^D 48 18.88 101.11 64.12 17.91 100.51 65.12 18.40 100.81 64.62 2 0 8.22 -999 ? CL CL C 136 >ALA^D 49 21.22 98.24 63.15 20.82 97.01 62.33 21.02 97.63 62.74 2 0 5.00 -999 ? CL CL C 136 >ALA^D 50 23.11 100.52 60.76 22.48 101.23 59.57 22.79 100.88 60.16 2 0 10.26 -999 ? CL CL C 136 >ARG^D 51 20.85 105.86 63.72 18.03 105.03 64.66 19.44 105.44 64.19 2 0 12.61 -999 ? CL CL C 136 >ILE^D 52 24.08 99.52 66.48 23.38 98.89 67.46 23.73 99.20 66.97 3 0 8.08 -999 ? CL CL C 136 >ALA^D 53 27.13 99.20 63.10 26.67 98.67 61.74 26.90 98.94 62.42 2 0 9.51 -999 ? CL CL C 136 >ASP^D 54 28.12 103.96 62.59 27.51 104.27 60.59 27.82 104.12 61.59 2 0 14.49 -999 ? CL CL C 136 >LYS^D 55 29.64 102.63 66.49 25.69 105.76 70.35 27.66 104.19 68.42 2 0 15.58 -999 ? CL CL C 136 >ILE^D 56 30.26 97.84 65.49 29.78 96.50 65.62 30.02 97.17 65.55 3 0 11.18 -999 ? CL CL C 136 >ALA^D 57 33.26 100.05 62.99 32.76 100.52 61.64 33.01 100.28 62.32 2 0 15.37 -999 ? CL CL C 136 >LEU^D 58 33.90 104.36 65.07 34.43 106.41 65.57 34.16 105.38 65.32 3 0 17.47 -999 ? O ASN C 140 >LYS^D 59 35.29 101.32 67.97 34.97 102.04 73.55 35.13 101.68 70.76 2 0 12.67 -999 ? O ASN C 140 >ALA^D 60 36.91 98.31 66.29 35.96 97.19 65.90 36.44 97.75 66.10 2 0 11.35 -999 ? ND2 ASN C 140 >GLY^D 61 39.25 99.83 63.69 38.47 99.80 63.46 38.86 99.82 63.58 1 0 12.46 -999 ? O ASN C 140 >GLY^D 62 37.02 99.42 60.63 36.75 98.89 61.28 36.89 99.15 60.95 1 0 15.59 -999 ? CA ASN C 140 >GLU^D 63 32.41 96.70 57.58 31.14 98.38 57.93 31.77 97.54 57.75 2 0 14.23 -999 ? CL CL C 136 >THR^D 64 34.01 93.92 61.25 33.55 94.51 63.28 33.78 94.21 62.26 2 0 12.84 -999 ? ND2 ASN C 140 >PHE^D 65 31.44 88.50 59.63 29.58 86.85 58.37 30.51 87.67 59.00 3 0 12.88 -999 ? CL CL C 136 >VAL^D 66 29.16 91.72 62.41 28.79 91.28 64.51 28.98 91.50 63.46 3 0 9.19 -999 ? CL CL C 136 >SER^D 67 29.31 95.38 61.40 30.45 97.46 60.78 29.88 96.42 61.09 2 0 12.19 -999 ? CL CL C 136 >LEU^D 68 30.02 93.65 56.94 30.12 93.35 54.79 30.07 93.50 55.87 3 0 13.33 -999 ? CL CL C 136 >ARG^D 69 24.75 89.25 60.66 24.31 89.99 63.60 24.53 89.62 62.13 2 0 5.18 -999 ? CL CL C 136 >MET?D 70 24.24 94.75 60.22 24.96 94.80 64.44 24.60 94.78 62.33 2 0 -5.54 -999 ? CL CL C 136s >LYS^D 71 24.64 97.42 57.50 29.87 100.92 58.15 27.25 99.17 57.83 2 0 14.44 -999 ? CL CL C 136 >LYS^D 72 23.13 95.06 54.91 26.33 97.09 51.52 24.73 96.08 53.22 2 0 15.11 -999 ? CL CL C 136 >GLY^D 73 20.10 94.51 57.20 20.61 93.93 57.04 20.36 94.22 57.12 1 0 7.48 -999 ? CL CL C 136 >PHE^D 74 21.37 89.71 55.93 20.83 89.23 53.21 21.10 89.47 54.57 3 0 10.39 -999 ? CL CL C 136 >THR^D 75 19.97 89.47 61.54 17.84 89.12 61.84 18.91 89.30 61.69 2 0 4.76 -999 ? CL CL C 136 >GLN^D 76 23.75 85.06 63.71 24.53 84.70 65.64 24.14 84.88 64.67 2 0 9.21 -999 ? CL CL C 136 >SER^D 77 19.33 84.26 61.72 17.21 83.18 62.21 18.27 83.72 61.96 2 0 10.01 -999 ? CL CL C 136 >GLU^D 78 16.61 87.47 58.40 16.13 89.49 58.80 16.37 88.48 58.60 2 0 7.43 -999 ? CL CL C 136 >LEU^D 79 23.31 86.53 57.66 25.23 86.78 56.66 24.27 86.66 57.16 3 0 10.33 -999 ? CL CL C 136 >ALA^D 80 22.56 82.08 58.28 22.33 81.55 59.71 22.44 81.82 58.99 2 0 12.22 -999 ? CL CL C 136 >THR^D 81 19.48 81.13 56.24 17.40 81.04 56.78 18.44 81.09 56.51 2 0 14.05 -999 ? CL CL C 136 >ALA^D 82 20.58 83.17 53.19 20.79 84.68 53.23 20.69 83.92 53.21 2 0 13.72 -999 ? CL CL C 136 >ALA^D 83 24.09 81.62 53.17 25.21 82.33 53.94 24.65 81.97 53.56 2 0 15.58 -999 ? CL CL C 136 >GLY^D 84 23.06 77.97 53.69 23.51 78.44 54.21 23.29 78.20 53.95 1 0 16.35 -999 ? OD1 ASN D 140 >LEU^D 85 25.82 78.99 57.34 27.82 79.15 56.58 26.82 79.07 56.96 3 0 15.44 -999 ? OD1 ASN D 140 >PRO^D 86 25.15 74.89 60.00 24.15 76.90 59.94 24.65 75.89 59.97 3 0 11.56 -999 ? OD1 ASN D 140 >GLN^D 87 21.91 81.41 64.36 19.91 82.11 64.62 20.91 81.76 64.49 2 0 10.42 -999 ? CL CL C 134 >PRO^D 88 23.92 76.63 66.09 25.01 78.41 65.24 24.47 77.52 65.67 3 0 10.57 -999 ? CL CL C 138 >TYR^D 89 29.77 77.21 61.15 32.28 77.10 59.92 31.03 77.15 60.53 3 0 10.47 -999 ? CL CL C 138 >LEU^D 90 26.29 82.21 61.37 26.19 83.91 59.98 26.24 83.06 60.67 3 0 12.03 -999 ? CL CL C 136 >SER^D 91 27.80 82.90 65.63 27.54 82.86 68.05 27.67 82.88 66.84 2 0 10.10 -999 ? CL CL C 138 >ARG^D 92 31.31 77.56 66.77 32.67 75.63 64.79 31.99 76.60 65.78 2 0 5.78 -999 ? CL CL C 138 >ILE^D 93 31.50 82.99 61.18 31.39 82.65 59.82 31.44 82.82 60.50 3 0 12.78 -999 ? CL CL C 138 >GLU^D 94 28.83 86.62 63.20 26.93 87.59 63.34 27.88 87.11 63.27 2 0 8.69 -999 ? CL CL C 136 >ASN^D 95 31.74 85.53 68.55 30.07 86.84 68.53 30.90 86.18 68.54 2 0 12.37 -999 ? CL CL C 138 >SER^D 96 35.13 82.94 68.04 33.17 81.95 69.13 34.15 82.44 68.58 2 0 6.96 -999 ? CL CL C 138 >LYS^D 97 36.67 81.72 64.74 35.90 77.54 61.94 36.28 79.63 63.34 2 0 9.18 -999 ? CL CL C 138 >GLN^D 98 41.63 81.68 65.63 43.24 80.49 66.34 42.44 81.09 65.99 2 0 3.62 -999 ? UNK UNX C 217 >SER^D 99 39.74 81.65 59.80 41.17 79.71 59.83 40.45 80.68 59.81 2 0 9.57 -999 ? UNK UNX C 212 >LEU^D 100 36.35 82.12 56.50 34.70 83.29 57.28 35.53 82.70 56.89 3 0 15.60 -999 ? UNK UNX C 219 >GLN^D 101 37.04 75.90 55.43 35.76 74.20 55.46 36.40 75.05 55.44 2 0 12.61 -999 ? UNK UNX A 211 >ASP^D 102 38.03 79.24 49.67 37.76 80.54 48.00 37.90 79.89 48.84 2 0 21.71 -999 ? UNK UNX C 212 >LYS^D 103 33.78 77.94 50.23 33.04 72.18 49.48 33.41 75.06 49.86 2 0 16.74 -999 ? OD1 ASN D 140 >THR^D 104 32.26 79.79 53.21 32.38 79.20 55.28 32.32 79.50 54.24 2 0 15.79 -999 ? CL CL C 138 >VAL^D 105 33.60 83.23 52.21 35.60 84.07 52.18 34.60 83.65 52.20 3 0 20.17 -999 ? UNK UNX C 215 >GLN^D 106 33.80 81.89 47.42 34.28 81.21 45.46 34.04 81.55 46.44 2 0 24.82 -999 ? UNK UNX A 211 >LYS^D 107 28.58 81.48 50.38 29.40 76.01 51.54 28.99 78.75 50.96 2 0 16.25 -999 ? OD1 ASN D 140 >LEU^D 108 29.68 84.75 53.76 29.57 84.22 55.84 29.63 84.48 54.80 3 0 15.89 -999 ? CL CL C 136 >ALA^D 109 29.73 86.99 49.89 30.97 86.84 49.02 30.35 86.92 49.46 2 0 19.81 -999 ? CL CL C 136 >ASN^D 110 26.57 84.44 47.21 28.00 83.82 45.78 27.28 84.13 46.49 2 0 22.13 -999 ? CL CL C 136 >ALA^D 111 24.31 86.12 50.65 24.45 85.41 51.97 24.38 85.77 51.31 2 0 15.06 -999 ? CL CL C 136 >LEU^D 112 26.54 90.00 52.30 26.78 89.88 54.42 26.66 89.94 53.36 3 0 13.22 -999 ? CL CL C 136 >GLY^D 113 26.10 90.54 47.73 26.55 90.70 48.38 26.33 90.62 48.05 1 0 17.92 -999 ? CL CL C 136 >VAL^D 114 29.63 91.89 48.33 29.55 92.28 50.52 29.59 92.08 49.43 3 0 17.86 -999 ? CL CL C 136 >SER^D 115 33.10 90.78 47.16 34.89 92.37 47.65 33.99 91.58 47.41 2 0 22.50 -999 ? CL CL C 136 >PRO^D 116 35.02 86.84 46.78 34.78 88.41 48.35 34.90 87.63 47.57 3 0 23.10 -999 ? CL CL C 136 >LEU^D 117 38.36 91.76 48.64 40.13 92.97 49.08 39.24 92.37 48.86 3 0 23.12 -999 ? ND2 ASN C 140 >GLU^D 118 33.90 94.74 50.70 32.10 95.77 51.08 33.00 95.25 50.89 2 0 18.36 -999 ? CL CL C 136 >VAL^D 119 34.09 89.58 53.55 32.78 87.86 53.21 33.44 88.72 53.38 3 0 17.89 -999 ? CL CL C 136 >ARG^D 120 39.67 86.12 51.99 38.74 83.39 50.91 39.21 84.75 51.45 2 0 19.11 -999 ? UNK UNX C 215 >ALA^D 121 38.74 92.26 55.07 38.61 93.48 54.16 38.68 92.87 54.62 2 0 18.24 -999 ? ND2 ASN C 140 >ALA^D 122 35.88 92.46 57.57 34.42 92.28 57.19 35.15 92.37 57.38 2 0 16.23 -999 ? CL CL C 136 >PHE^D 123 36.95 86.61 59.27 37.23 84.28 60.81 37.09 85.45 60.04 3 0 13.12 -999 ? ND2 ASN C 140 >GLU^D 124 41.52 89.19 57.46 42.45 87.50 58.34 41.98 88.34 57.90 2 0 12.92 -999 ? UNK UNX C 215 >ARG^D 125 39.62 95.98 60.01 38.20 96.95 57.45 38.91 96.46 58.73 2 0 16.49 -999 ? ND2 ASN C 140 >ARG^D 126 38.60 87.25 63.75 35.69 86.47 63.25 37.14 86.86 63.50 2 0 10.79 -999 ? ND2 ASN C 140 >TYR^D 127 43.38 88.86 63.68 42.60 86.19 63.53 42.99 87.53 63.60 3 0 8.32 -999 ? ND2 ASN C 140 >GLU^D 128 46.42 95.37 67.36 44.99 96.70 68.17 45.71 96.04 67.77 2 0 5.88 -999 ? O ASN C 140 >TYR^D 129 47.19 92.93 60.77 45.75 90.77 59.71 46.47 91.85 60.24 3 0 10.99 -999 ? N ASN C 140 >MET?D 130 51.56 96.01 62.78 52.54 93.69 66.23 52.05 94.85 64.50 2 0 8.62 -999 ? N ASN C 140