REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 20-JUN-08 2VWA COMPND PUTATIVE UNCHARACTERIZED PROTEIN PF13_0012; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 FRAGMENT: RESIDUES 129-228; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: UPREGULATED IN INFECTIVE SPOROZOITES COMPND 7 PROTEIN 3 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; SOURCE 3 ORGANISM_COMMON: MALARIA PARASITE; SOURCE 4 ORGANISM_TAXID: 36329; SOURCE 5 STRAIN: 3D7; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834 (DE3); SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX4T1 AUTHOR A.SHARMA,A.SHARMA,M.YOGAVEL,J.GILL,R.R.AKHOURI HET MSE A 182 8 HET MSE A 185 8 HET MSE A 210 8 HET MSE B 182 8 HET MSE B 185 8 HET MSE B 210 8 HET MSE C 182 8 HET MSE C 185 8 HET MSE C 210 8 HET MSE D 182 8 HET MSE D 185 8 HET MSE D 210 8 HET MSE E 182 8 HET MSE E 185 8 HET MSE E 210 8 HET MSE F 182 8 HET MSE F 185 8 HET MSE F 210 8 HET PTY D1230 50 HET PTY F1230 50 HET PTY C1230 50 HET PTY A1230 50 HET PTY E1230 50 HET PTY B1230 50 SITE 1 AC1 9 GLN D 164 GLU D 168 LYS D 207 ASP D 211 SITE 1 AC2 7 GLN F 164 GLU F 168 LYS F 207 ASP F 211 SITE 1 AC3 9 GLN C 164 GLU C 168 LYS C 207 MSE C 210 SITE 1 AC4 8 GLN A 164 GLU A 168 LYS A 207 ASP A 211 SITE 1 AC5 6 GLN E 164 GLU E 168 ASP E 211 LYS E 218 SITE 1 AC6 8 LYS A 165 ARG B 160 GLN B 164 GLU B 168 >ASN.A 130 56.89 -18.81 24.41 56.10 -17.79 26.12 56.49 -18.30 25.26 2 0 17.58 -999 ? O12 PTY A1230 >LYS.A 131 58.98 -15.11 21.81 61.07 -15.86 15.92 60.03 -15.49 18.87 2 0 21.63 -999 ? O12 PTY A1230 >ILE.A 132 57.94 -10.48 22.03 57.24 -9.50 22.84 57.59 -9.99 22.44 3 0 17.19 -999 ? O12 PTY A1230 >ASN.A 133 57.26 -10.57 16.30 57.50 -9.49 14.49 57.38 -10.03 15.39 2 0 23.75 -999 ? O12 PTY A1230 >LEU.A 134 60.30 -5.72 18.11 60.85 -5.92 20.20 60.57 -5.82 19.16 3 0 18.70 -999 ? O12 PTY A1230 >ASN.A 135 58.75 -6.95 12.75 60.87 -6.74 12.59 59.81 -6.85 12.67 2 0 21.70 -999 ? C43 PTY B1230 >LYS.A 136 54.35 -6.22 14.37 50.26 -8.80 15.91 52.31 -7.51 15.14 2 0 23.52 -999 ? C29 PTY A1230 >PRO.A 137 52.33 -3.15 12.06 53.10 -3.37 14.16 52.72 -3.26 13.11 3 0 19.10 -999 ? C41 PTY B1230 >ILE.A 138 51.58 -0.16 18.23 52.06 0.51 19.35 51.82 0.18 18.79 3 0 14.60 -999 ? C41 PTY B1230 >ILE.A 139 46.69 -3.20 17.08 46.77 -4.70 16.93 46.73 -3.95 17.01 3 0 20.18 -999 ? O30 PTY B1230 >GLU.A 140 42.95 2.03 19.78 40.96 2.63 19.14 41.96 2.33 19.46 2 0 17.63 -999 ? C3 PTY B1230 >ASN.A 141 44.21 -1.96 23.87 43.54 -3.59 25.12 43.88 -2.78 24.50 2 0 15.57 -999 ? C29 PTY A1230 >LYS.A 142 39.76 -1.76 22.30 39.71 -0.55 16.33 39.73 -1.16 19.31 2 0 21.68 -999 ? C3 PTY B1230 >ASN.A 143 39.96 -5.08 25.76 39.21 -6.11 27.42 39.58 -5.59 26.59 2 0 18.01 -999 ? C3 PTY B1230 >ASN.A 144 36.73 -0.59 27.98 37.37 0.60 26.30 37.05 0.01 27.14 2 0 14.88 -999 ? C3 PTY B1230 >VAL.A 145 36.98 -4.78 30.58 35.33 -6.21 30.35 36.15 -5.50 30.46 3 0 17.89 -999 ? C2 PTY B1230 >ASP.A 146 39.78 -4.14 34.54 39.98 -2.05 34.26 39.88 -3.09 34.40 2 0 12.14 -999 ? C2 PTY B1230 >VAL.A 147 41.33 -8.23 34.36 43.23 -8.72 33.32 42.28 -8.47 33.84 3 0 15.07 -999 ? C29 PTY A1230 >SER~A 148 41.59 -8.58 38.17 42.38 -10.80 38.70 41.98 -9.69 38.43 2 0 16.72 -999 ? C29 PTY A1230 >ILE~A 149 44.16 -6.06 41.48 44.35 -4.75 42.26 44.25 -5.40 41.87 3 0 12.39 -999 ? C27 PTY A1230 >LYS~A 150 45.95 -10.29 40.93 43.67 -11.31 45.86 44.81 -10.80 43.39 2 0 16.46 -999 ? C44 PTY A1230 >ARG~A 151 43.44 -13.46 35.91 44.13 -14.42 33.09 43.78 -13.94 34.50 2 0 19.05 -999 ? C29 PTY A1230 >TYR~A 152 47.47 -5.12 36.36 49.12 -3.00 35.77 48.29 -4.06 36.07 3 0 7.67 -999 ? C29 PTY A1230 >ASN~A 153 50.00 -7.60 40.49 49.22 -5.73 41.22 49.61 -6.66 40.85 2 0 8.73 -999 ? C25 PTY A1230 >ASN~A 154 50.46 -12.42 38.29 51.25 -14.08 37.15 50.86 -13.25 37.72 2 0 14.43 -999 ? C20 PTY A1230 >PHE~A 155 50.40 -9.20 32.22 51.04 -8.38 29.59 50.72 -8.79 30.90 3 0 12.63 -999 ? C29 PTY A1230 >VAL~A 156 53.33 -7.11 35.09 52.92 -4.99 35.63 53.13 -6.05 35.36 3 0 7.97 -999 ? C27 PTY A1230 >ASP~A 157 55.49 -10.24 38.19 55.03 -9.31 40.00 55.26 -9.78 39.09 2 0 7.75 -999 ? C20 PTY A1230 >ILE~A 158 55.10 -12.48 33.54 54.51 -13.75 33.24 54.81 -13.11 33.39 3 0 14.21 -999 ? C20 PTY A1230 >ALA~A 159 56.42 -8.59 31.59 55.30 -7.56 31.31 55.86 -8.08 31.45 2 0 11.31 -999 ? C27 PTY A1230 >ARG~A 160 58.40 -5.17 37.20 56.55 -4.10 39.38 57.47 -4.63 38.29 2 0 3.89 -999 ? C21 PTY A1230 >LEU~A 161 61.35 -11.31 34.56 61.76 -11.53 36.72 61.55 -11.42 35.64 3 0 7.48 -999 ? O4 PTY A1230 >SER~A 162 60.78 -10.66 30.16 59.41 -11.06 28.19 60.09 -10.86 29.18 2 0 11.99 -999 ? O12 PTY A1230 >ILE~A 163 60.76 -5.99 28.80 60.46 -4.53 28.83 60.61 -5.26 28.82 3 0 11.24 -999 ? O10 PTY A1230 >GLN~A 164 65.81 -7.59 33.47 65.77 -7.74 35.57 65.79 -7.67 34.52 2 0 -3.74 -999 ? O10 PTY A1230s >LYS~A 165 66.08 -10.18 29.63 64.23 -15.52 31.99 65.16 -12.85 30.81 2 0 -7.88 -999 ? O12 PTY A1230s >HIS~A 166 64.36 -7.88 24.10 64.60 -7.18 22.13 64.48 -7.53 23.11 3 0 13.22 -999 ? O12 PTY A1230 >PHE~A 167 67.08 -3.06 28.53 68.25 -0.55 28.90 67.67 -1.80 28.72 3 0 9.01 -999 ? O10 PTY A1230 >GLU~A 168 69.74 -6.99 31.46 69.44 -8.18 33.24 69.59 -7.59 32.35 2 0 -2.85 -999 ? O12 PTY A1230s >HIS~A 169 70.60 -10.55 23.98 71.48 -11.58 22.38 71.04 -11.07 23.18 3 0 11.96 -999 ? O11 PTY A1230 >LEU~A 170 69.88 -4.28 24.16 67.84 -4.05 23.38 68.86 -4.17 23.77 3 0 12.90 -999 ? C3 PTY A1230 >SER~A 171 74.07 -3.77 22.83 73.96 -2.56 20.74 74.01 -3.16 21.79 2 0 15.80 -999 ? C3 PTY A1230 >ASN~A 172 76.79 -0.31 24.68 77.66 -0.65 26.58 77.22 -0.48 25.63 2 0 12.99 -999 ? C3 PTY A1230 >ASP~A 173 74.69 2.15 20.73 74.39 0.58 19.35 74.54 1.36 20.04 2 0 16.55 -999 ? C29 PTY F1230 >GLN~A 174 70.35 -1.60 19.85 70.35 -3.62 19.22 70.35 -2.61 19.53 2 0 16.92 -999 ? C3 PTY A1230 >LYS~A 175 70.05 0.04 25.52 72.76 -4.25 27.96 71.41 -2.10 26.74 2 0 8.62 -999 ? C3 PTY A1230 >ASP~A 176 71.96 4.39 24.86 72.12 6.45 25.19 72.04 5.42 25.03 2 0 15.15 -999 ? C20 PTY B1230 >SER~A 177 67.96 4.33 22.81 68.33 2.86 20.94 68.15 3.59 21.87 2 0 14.03 -999 ? C44 PTY B1230 >HIS~A 178 65.71 -0.14 22.67 65.92 -0.74 20.67 65.82 -0.44 21.67 3 0 15.72 -999 ? C42 PTY B1230 >VAL~A 179 65.30 2.67 28.05 66.97 3.25 29.31 66.13 2.96 28.68 3 0 11.99 -999 ? O10 PTY A1230 >ASN.A 180 63.11 6.80 27.89 63.90 7.02 29.87 63.51 6.91 28.88 2 0 9.66 -999 ? C20 PTY B1230 >ASN~A 181 62.23 3.34 23.20 61.34 3.39 21.31 61.78 3.36 22.25 2 0 10.60 -999 ? C42 PTY B1230 >MET?A 182 57.61 4.00 24.59 56.63 5.73 27.32 57.12 4.86 25.96 2 0 6.56 -999 ? O30 PTY B1230 >GLU~A 183 56.99 1.83 18.81 57.74 2.67 17.00 57.37 2.25 17.90 2 0 11.45 -999 ? C41 PTY B1230 >TYR~A 184 61.58 -1.27 23.50 63.09 -3.26 24.71 62.33 -2.27 24.11 3 0 14.53 -999 ? O10 PTY A1230 >MET?A 185 57.51 -1.10 25.74 59.35 1.24 28.40 58.43 0.07 27.07 2 0 10.74 -999 ? C28 PTY A1230 >GLN~A 186 52.82 1.14 23.90 51.12 1.86 22.81 51.97 1.50 23.36 2 0 11.19 -999 ? O30 PTY B1230 >LYS~A 187 55.17 -3.64 21.45 56.37 -1.72 16.28 55.77 -2.68 18.87 2 0 15.88 -999 ? C41 PTY B1230 >PHE~A 188 58.44 -6.41 25.46 60.37 -8.42 25.51 59.41 -7.42 25.49 3 0 14.01 -999 ? O12 PTY A1230 >VAL~A 189 53.05 -5.43 26.38 52.31 -4.01 27.93 52.68 -4.72 27.15 3 0 11.75 -999 ? C29 PTY A1230 >GLN~A 190 49.99 -4.06 22.39 49.42 -2.84 20.74 49.70 -3.45 21.57 2 0 16.33 -999 ? O30 PTY B1230 >GLY~A 191 53.08 -9.25 22.25 52.72 -9.07 23.02 52.90 -9.16 22.63 1 0 18.42 -999 ? C29 PTY A1230 >LEU~A 192 53.63 -9.88 26.91 55.38 -10.82 27.74 54.50 -10.35 27.33 3 0 15.87 -999 ? C29 PTY A1230 >GLN~A 193 48.31 -8.10 26.87 47.43 -6.21 26.50 47.87 -7.15 26.69 2 0 14.07 -999 ? C29 PTY A1230 >GLU~A 194 49.14 -10.82 20.59 50.03 -10.86 18.68 49.59 -10.84 19.64 2 0 22.33 -999 ? C29 PTY A1230 >ASN~A 195 52.83 -14.71 23.93 53.70 -14.07 22.09 53.26 -14.39 23.01 2 0 20.59 -999 ? O12 PTY A1230 >ARG~A 196 52.36 -13.94 29.92 52.47 -16.72 31.20 52.42 -15.33 30.56 2 0 18.30 -999 ? O12 PTY A1230 >ASN.A 197 45.85 -16.63 25.73 43.71 -16.66 25.48 44.78 -16.64 25.60 2 0 23.66 -999 ? C29 PTY A1230 >ILE.A 198 46.19 -12.34 29.65 46.75 -11.43 30.71 46.47 -11.89 30.18 3 0 16.71 -999 ? C29 PTY A1230 >SER.A 199 43.60 -9.35 27.34 41.99 -8.17 25.98 42.80 -8.76 26.66 2 0 18.15 -999 ? C29 PTY A1230 >LEU.A 200 45.69 -5.64 29.61 47.25 -6.52 30.95 46.47 -6.08 30.28 3 0 12.05 -999 ? C29 PTY A1230 >SER~A 201 42.04 -3.34 29.18 41.79 -2.23 31.28 41.92 -2.78 30.23 2 0 12.34 -999 ? C2 PTY B1230 >LYS~A 202 43.30 -0.23 27.33 40.50 2.21 24.02 41.90 0.99 25.68 2 0 13.90 -999 ? C3 PTY B1230 >TYR~A 203 42.98 2.14 33.08 43.68 2.41 35.77 43.33 2.28 34.43 3 0 6.82 -999 ? C2 PTY B1230 >GLN~A 204 44.37 -3.05 33.70 43.08 -4.72 33.93 43.73 -3.88 33.82 2 0 11.97 -999 ? C29 PTY A1230 >GLU~A 205 48.43 -1.97 26.52 47.78 -2.44 24.56 48.10 -2.21 25.54 2 0 13.65 -999 ? C29 PTY A1230 >ASN~A 206 48.00 3.17 29.19 47.09 3.31 27.25 47.54 3.24 28.22 2 0 8.86 -999 ? O13 PTY B1230 >LYS~A 207 49.49 1.44 33.09 46.83 -0.34 38.29 48.16 0.55 35.69 2 0 -6.43 -999 ? C29 PTY A1230s >ALA~A 208 51.61 -1.68 32.31 51.10 -2.98 31.68 51.35 -2.33 32.00 2 0 7.33 -999 ? C29 PTY A1230 >VAL~A 209 53.76 0.29 29.81 53.42 1.11 27.79 53.59 0.70 28.80 3 0 7.96 -999 ? C29 PTY A1230 >MET?A 210 54.39 3.00 32.39 54.16 6.00 31.28 54.28 4.50 31.83 2 0 4.23 -999 ? O30 PTY B1230 >ASP~A 211 54.48 -0.88 35.29 55.29 -1.97 36.92 54.89 -1.43 36.10 2 0 -3.83 -999 ? C27 PTY A1230s >LEU~A 212 57.49 -1.96 30.98 56.66 -3.97 31.01 57.07 -2.97 30.99 3 0 8.91 -999 ? C27 PTY A1230 >LYS~A 213 59.38 2.12 31.84 58.62 8.23 30.96 59.00 5.18 31.40 2 0 6.22 -999 ? O30 PTY B1230 >TYR~A 214 59.52 3.09 37.99 60.53 3.94 40.50 60.02 3.51 39.25 3 0 4.87 -999 ? C24 PTY A1230 >HIS~A 215 61.47 -3.51 35.62 62.52 -5.25 36.15 61.99 -4.38 35.88 3 0 5.46 -999 ? C11 PTY A1230 >LEU~A 216 63.41 -0.25 31.21 63.01 -2.10 30.08 63.21 -1.17 30.64 3 0 9.20 -999 ? O10 PTY A1230 >GLN~A 217 63.90 4.70 33.51 62.52 6.22 34.06 63.21 5.46 33.79 2 0 9.88 -999 ? C26 PTY A1230 >LYS~A 218 66.28 0.68 37.18 61.69 0.36 39.97 63.99 0.52 38.57 2 0 -4.11 -999 ? C21 PTY A1230s >VAL~A 219 67.65 -2.20 35.11 66.83 -3.92 33.97 67.24 -3.06 34.54 3 0 3.56 -999 ? O10 PTY A1230 >TYR~A 220 69.99 2.20 31.39 71.71 3.44 29.57 70.85 2.82 30.48 3 0 10.77 -999 ? O10 PTY A1230 >ALA~A 221 70.90 2.05 36.38 70.02 2.48 37.52 70.46 2.26 36.95 2 0 7.05 -999 ? C13 PTY A1230 >ASN~A 222 71.49 -2.41 38.05 72.69 -4.17 38.33 72.09 -3.29 38.19 2 0 4.61 -999 ? C5 PTY A1230 >TYR~A 223 74.14 -1.78 31.63 75.78 -1.32 29.42 74.96 -1.55 30.52 3 0 9.14 -999 ? C3 PTY A1230 >LEU~A 224 74.90 2.96 34.24 74.17 4.01 32.47 74.54 3.49 33.35 3 0 11.42 -999 ? O10 PTY A1230 >SER~A 225 77.01 1.05 37.64 76.09 -0.16 39.52 76.55 0.45 38.58 2 0 9.70 -999 ? O10 PTY A1230 >GLN~A 226 76.48 -4.28 36.50 76.80 -4.22 38.61 76.64 -4.25 37.56 2 0 6.58 -999 ? C2 PTY A1230 >GLU~A 227 78.77 -0.54 31.35 80.10 -1.72 30.17 79.43 -1.13 30.76 2 0 10.99 -999 ? N1 PTY A1230 >GLU~A 228 80.66 4.07 36.61 79.96 4.28 34.59 80.31 4.18 35.60 2 0 15.06 -999 ? N1 PTY A1230 >ASN.B 130 62.05 0.20 47.41 63.20 -0.76 45.89 62.62 -0.28 46.65 2 0 -4.06 -999 ? C17 PTY A1230s >LYS.B 131 60.94 3.29 50.82 57.06 6.22 52.24 59.00 4.76 51.53 2 0 11.07 -999 ? C44 PTY A1230 >ILE.B 132 62.39 7.86 50.02 62.68 8.31 48.96 62.53 8.08 49.49 3 0 12.19 -999 ? C22 PTY A1230 >ASN.B 133 63.33 8.04 55.75 62.73 8.82 57.65 63.03 8.43 56.70 2 0 15.87 -999 ? C42 PTY A1230 >LEU.B 134 60.17 12.67 53.62 60.07 11.85 51.57 60.12 12.26 52.60 3 0 16.63 -999 ? C22 PTY A1230 >ASN.B 135 61.38 11.61 59.07 60.48 12.52 60.75 60.93 12.07 59.91 2 0 20.51 -999 ? C42 PTY A1230 >LYS.B 136 65.73 12.73 58.12 69.23 10.38 56.03 67.48 11.55 57.08 2 0 17.21 -999 ? C37 PTY A1230 >PRO.B 137 68.28 15.73 60.05 66.90 15.62 58.27 67.59 15.67 59.16 3 0 23.03 -999 ? C37 PTY A1230 >ILE.B 138 68.52 18.98 54.21 68.05 19.71 53.18 68.29 19.35 53.69 3 0 17.93 -999 ? C29 PTY B1230 >ILE.B 139 73.29 15.67 55.42 73.90 14.68 56.45 73.60 15.18 55.93 3 0 21.91 -999 ? C29 PTY B1230 >GLU.B 140 77.04 21.03 52.75 78.56 22.32 53.59 77.80 21.67 53.17 2 0 20.77 -999 ? C29 PTY B1230 >ASN.B 141 75.95 17.24 48.73 76.70 15.62 47.52 76.33 16.43 48.13 2 0 15.99 -999 ? C29 PTY B1230 >LYS.B 142 80.39 17.04 50.55 81.53 19.70 55.04 80.96 18.37 52.80 2 0 23.73 -999 ? C29 PTY B1230 >ASN.B 143 80.39 13.93 46.87 81.21 12.95 45.19 80.80 13.44 46.03 2 0 18.71 -999 ? C29 PTY B1230 >ASN.B 144 83.56 18.34 44.74 82.60 19.63 46.14 83.08 18.99 45.44 2 0 18.27 -999 ? C29 PTY B1230 >VAL.B 145 83.43 14.18 42.17 85.12 12.82 42.38 84.28 13.50 42.28 3 0 19.70 -999 ? C29 PTY B1230 >ASP.B 146 80.75 15.02 38.16 80.40 17.11 38.47 80.57 16.06 38.31 2 0 13.89 -999 ? C29 PTY B1230 >VAL.B 147 79.02 11.04 38.50 77.22 9.99 39.11 78.12 10.52 38.81 3 0 15.74 -999 ? C29 PTY B1230 >SER~B 148 78.95 10.40 34.70 77.99 8.30 33.96 78.47 9.35 34.33 2 0 17.01 -999 ? C26 PTY B1230 >ILE~B 149 76.68 13.14 31.46 76.55 14.38 30.69 76.62 13.76 31.07 3 0 12.77 -999 ? C26 PTY B1230 >LYS~B 150 74.65 8.93 31.59 75.67 6.38 26.57 75.16 7.65 29.08 2 0 17.04 -999 ? C23 PTY B1230 >ARG~B 151 76.87 5.34 36.83 76.35 4.84 39.83 76.61 5.09 38.33 2 0 12.71 -999 ? C13 PTY A1230 >TYR~B 152 73.03 13.93 36.25 71.31 16.06 36.82 72.17 15.00 36.54 3 0 8.28 -999 ? C29 PTY B1230 >ASN~B 153 70.58 11.54 31.96 71.52 13.34 31.27 71.05 12.44 31.61 2 0 8.84 -999 ? C23 PTY B1230 >ASN~B 154 70.21 6.74 34.31 69.20 5.06 35.03 69.70 5.90 34.67 2 0 9.88 -999 ? C13 PTY A1230 >PHE~B 155 69.95 9.83 40.29 69.16 10.57 42.90 69.55 10.20 41.59 3 0 13.11 -999 ? C29 PTY B1230 >VAL~B 156 67.11 11.98 37.22 67.51 14.10 36.66 67.31 13.04 36.94 3 0 8.11 -999 ? C26 PTY B1230 >ASP~B 157 65.25 8.81 33.94 65.71 9.68 32.03 65.48 9.25 32.98 2 0 8.25 -999 ? C20 PTY B1230 >ILE~B 158 65.26 6.67 38.67 65.90 5.45 39.05 65.58 6.06 38.86 3 0 9.05 -999 ? C13 PTY A1230 >ALA~B 159 63.94 10.49 40.43 65.02 11.54 40.59 64.48 11.01 40.51 2 0 11.27 -999 ? C26 PTY B1230 >ARG~B 160 62.05 13.99 34.91 63.86 15.04 32.65 62.95 14.51 33.78 2 0 -3.80 -999 ? C23 PTY B1230s >LEU~B 161 59.40 7.70 37.44 58.92 7.55 35.27 59.16 7.63 36.35 3 0 7.54 -999 ? C28 PTY A1230 >SER~B 162 59.56 8.31 41.87 61.58 7.01 42.12 60.57 7.66 42.00 2 0 8.27 -999 ? C24 PTY A1230 >ILE~B 163 59.62 13.09 43.19 59.79 14.50 43.23 59.70 13.79 43.21 3 0 11.06 -999 ? O10 PTY B1230 >GLN~B 164 54.57 11.31 38.74 54.41 11.49 36.67 54.49 11.40 37.71 2 0 -3.44 -999 ? O10 PTY B1230s >LYS~B 165 54.34 8.70 42.25 55.26 3.85 41.83 54.80 6.27 42.04 2 0 -3.51 -999 ? C24 PTY A1230s >HIS~B 166 56.01 10.99 47.81 55.71 11.90 49.68 55.86 11.45 48.74 3 0 13.34 -999 ? C24 PTY A1230 >PHE~B 167 53.22 15.77 43.66 51.94 18.21 43.37 52.58 16.99 43.51 3 0 8.90 -999 ? O10 PTY B1230 >GLU~B 168 50.75 11.99 40.50 50.82 11.09 38.56 50.79 11.54 39.53 2 0 -3.53 -999 ? O12 PTY B1230s >HIS~B 169 49.74 7.83 47.58 48.85 6.73 49.13 49.30 7.28 48.35 3 0 12.13 -999 ? O12 PTY B1230 >LEU~B 170 50.62 14.12 48.04 52.63 14.36 48.85 51.62 14.24 48.44 3 0 13.11 -999 ? O10 PTY B1230 >SER~B 171 46.40 14.58 49.44 46.56 15.92 51.48 46.48 15.25 50.46 2 0 16.30 -999 ? N1 PTY B1230 >ASN~B 172 43.56 17.91 47.32 42.79 16.47 45.91 43.18 17.19 46.62 2 0 11.96 -999 ? N1 PTY B1230 >ASP~B 173 45.45 19.99 51.85 45.65 18.09 52.78 45.55 19.04 52.31 2 0 16.42 -999 ? C26 PTY E1230 >GLN~B 174 50.02 16.91 52.32 50.86 15.03 52.87 50.44 15.97 52.60 2 0 17.60 -999 ? O10 PTY B1230 >LYS~B 175 50.08 18.85 46.64 47.52 14.32 44.74 48.80 16.58 45.69 2 0 9.74 -999 ? N1 PTY B1230 >ASP~B 176 48.15 23.33 47.46 46.33 22.69 46.43 47.24 23.01 46.95 2 0 15.45 -999 ? O10 PTY B1230 >SER~B 177 52.13 22.94 49.68 51.66 21.35 51.51 51.89 22.15 50.59 2 0 17.97 -999 ? O10 PTY B1230 >HIS~B 178 54.41 18.35 49.52 54.30 17.64 51.49 54.36 18.00 50.50 3 0 15.99 -999 ? O10 PTY B1230 >VAL~B 179 54.76 21.76 44.48 53.10 22.52 43.25 53.93 22.14 43.86 3 0 12.30 -999 ? O10 PTY B1230 >ASN.B 180 57.37 25.67 44.34 56.50 25.74 42.38 56.94 25.71 43.36 2 0 12.80 -999 ? C27 PTY B1230 >ASN~B 181 57.84 22.32 49.13 58.46 22.25 51.13 58.15 22.29 50.13 2 0 17.72 -999 ? C29 PTY B1230 >MET?B 182 62.56 23.04 48.04 63.27 24.44 45.15 62.92 23.74 46.59 2 0 10.48 -999 ? C29 PTY B1230 >GLU~B 183 62.96 20.98 53.91 62.03 21.63 55.72 62.50 21.31 54.82 2 0 20.53 -999 ? C29 PTY B1230 >TYR~B 184 58.57 17.54 48.91 57.27 15.51 47.45 57.92 16.52 48.18 3 0 14.48 -999 ? O10 PTY B1230 >MET?B 185 62.69 18.02 46.91 60.79 20.18 43.84 61.74 19.10 45.38 2 0 10.48 -999 ? C27 PTY B1230 >GLN~B 186 66.89 20.47 48.42 67.72 22.05 49.56 67.30 21.26 48.99 2 0 13.61 -999 ? C29 PTY B1230 >LYS~B 187 64.98 15.59 51.08 62.31 17.80 56.28 63.65 16.70 53.68 2 0 21.39 -999 ? C29 PTY B1230 >PHE~B 188 61.86 12.56 46.82 60.50 10.33 45.87 61.18 11.44 46.34 3 0 12.98 -999 ? C24 PTY A1230 >VAL~B 189 66.90 13.56 46.24 67.64 14.84 44.59 67.27 14.20 45.42 3 0 12.18 -999 ? C29 PTY B1230 >GLN~B 190 70.11 14.97 50.19 70.68 16.06 51.94 70.39 15.51 51.06 2 0 17.29 -999 ? C29 PTY B1230 >GLY~B 191 66.87 9.87 50.21 67.22 10.07 49.45 67.05 9.97 49.83 1 0 14.52 -999 ? C37 PTY A1230 >LEU~B 192 66.46 9.36 45.49 64.95 8.64 44.08 65.71 9.00 44.79 3 0 12.43 -999 ? C15 PTY A1230 >GLN~B 193 71.73 11.21 45.73 72.74 12.98 46.27 72.23 12.09 46.00 2 0 14.55 -999 ? C29 PTY B1230 >GLU~B 194 71.06 6.55 52.24 70.53 7.52 54.04 70.79 7.03 53.14 2 0 14.28 -999 ? C37 PTY A1230 >ASN~B 195 67.14 4.43 48.41 66.02 4.40 50.24 66.58 4.42 49.32 2 0 9.10 -999 ? C37 PTY A1230 >ARG~B 196 68.01 5.22 42.44 68.02 2.39 41.28 68.02 3.81 41.86 2 0 5.68 -999 ? C13 PTY A1230 >ASN.B 197 74.18 2.36 46.90 76.26 2.21 47.35 75.22 2.28 47.12 2 0 11.96 -999 ? C35 PTY A1230 >ILE.B 198 73.92 6.67 42.89 73.30 7.68 41.88 73.61 7.18 42.39 3 0 12.66 -999 ? C13 PTY A1230 >SER.B 199 76.50 9.65 45.33 78.07 10.76 46.78 77.28 10.21 46.06 2 0 18.72 -999 ? C29 PTY B1230 >LEU.B 200 74.51 13.42 43.08 73.04 12.54 41.64 73.78 12.98 42.36 3 0 12.58 -999 ? C29 PTY B1230 >SER~B 201 78.23 15.68 43.53 78.58 16.88 41.44 78.40 16.28 42.48 2 0 13.25 -999 ? C29 PTY B1230 >LYS~B 202 76.95 18.80 45.28 79.02 21.59 49.63 77.99 20.19 47.46 2 0 17.82 -999 ? C29 PTY B1230 >TYR~B 203 77.45 21.05 39.54 76.70 22.06 37.07 77.07 21.55 38.31 3 0 9.77 -999 ? C29 PTY B1230 >GLN~B 204 76.19 16.08 38.95 77.34 14.32 38.55 76.77 15.20 38.75 2 0 12.60 -999 ? C29 PTY B1230 >GLU~B 205 71.82 16.89 46.02 72.46 16.49 48.03 72.14 16.69 47.02 2 0 14.09 -999 ? C29 PTY B1230 >ASN~B 206 72.45 22.02 43.39 73.13 22.25 45.41 72.79 22.14 44.40 2 0 10.96 -999 ? C29 PTY B1230 >LYS~B 207 70.81 20.45 39.44 74.40 18.61 35.12 72.61 19.53 37.28 2 0 7.59 -999 ? C29 PTY B1230 >ALA~B 208 68.74 17.28 40.21 69.22 16.00 40.90 68.98 16.65 40.56 2 0 7.84 -999 ? C29 PTY B1230 >VAL~B 209 66.57 19.24 42.72 66.75 19.99 44.82 66.66 19.62 43.77 3 0 8.19 -999 ? C29 PTY B1230 >MET?B 210 65.99 22.01 40.13 66.27 24.99 41.61 66.13 23.50 40.87 2 0 -6.59 -999 ? C29 PTY B1230s >ASP~B 211 65.93 18.19 37.11 65.06 17.06 35.57 65.49 17.62 36.34 2 0 -3.89 -999 ? C26 PTY B1230s >LEU~B 212 62.89 17.10 41.32 63.72 15.05 41.24 63.30 16.08 41.28 3 0 8.75 -999 ? C27 PTY B1230 >LYS~B 213 61.08 21.23 40.56 61.62 27.42 41.59 61.35 24.33 41.08 2 0 9.92 -999 ? C29 PTY B1230 >TYR~B 214 60.67 22.28 34.49 59.45 23.28 32.16 60.06 22.78 33.33 3 0 5.48 -999 ? C25 PTY B1230 >HIS~B 215 58.95 15.60 36.60 57.83 13.97 35.89 58.39 14.79 36.25 3 0 5.28 -999 ? C12 PTY B1230 >LEU~B 216 57.13 18.71 41.03 57.22 16.95 42.40 57.18 17.83 41.71 3 0 9.32 -999 ? O10 PTY B1230 >GLN~B 217 56.58 23.72 38.92 57.90 25.22 38.22 57.24 24.47 38.57 2 0 9.39 -999 ? C27 PTY B1230 >LYS~B 218 54.04 19.85 35.20 57.25 21.53 31.01 55.65 20.69 33.11 2 0 -4.55 -999 ? C16 PTY B1230s >VAL~B 219 52.77 16.95 37.29 53.63 15.20 38.32 53.20 16.07 37.81 3 0 3.79 -999 ? O10 PTY B1230 >TYR~B 220 50.46 21.35 41.06 48.82 22.80 42.79 49.64 22.08 41.93 3 0 11.06 -999 ? O10 PTY B1230 >ALA~B 221 49.55 21.22 36.05 50.36 21.66 34.83 49.96 21.44 35.44 2 0 7.43 -999 ? C11 PTY B1230 >ASN~B 222 48.92 16.68 34.57 47.61 15.08 33.97 48.26 15.88 34.27 2 0 -3.86 -999 ? C5 PTY B1230s >TYR~B 223 46.30 17.60 40.98 44.66 18.22 43.18 45.48 17.91 42.08 3 0 10.06 -999 ? N1 PTY B1230 >LEU~B 224 45.49 22.18 38.33 46.23 23.29 40.09 45.86 22.73 39.21 3 0 11.72 -999 ? O10 PTY B1230 >SER~B 225 43.43 20.20 34.86 44.28 18.92 33.05 43.85 19.56 33.96 2 0 8.96 -999 ? C5 PTY B1230 >GLN~B 226 43.76 14.97 34.98 44.19 12.87 35.32 43.97 13.92 35.15 2 0 3.76 -999 ? N1 PTY B1230 >GLU~B 227 40.83 19.10 41.49 39.97 17.51 42.61 40.40 18.31 42.05 2 0 11.40 -999 ? N1 PTY B1230 >GLU~B 228 40.34 22.83 38.40 41.11 24.79 38.22 40.72 23.81 38.31 2 0 15.91 -999 ? O10 PTY B1230 >ASN.C 130 54.77 -5.44 -29.16 56.26 -4.13 -29.95 55.52 -4.79 -29.55 2 0 4.87 -999 ? C19 PTY D1230 >LYS.C 131 51.30 -2.05 -28.98 50.30 -2.93 -33.92 50.80 -2.49 -31.45 2 0 7.25 -999 ? C22 PTY D1230 >ILE.C 132 52.60 2.38 -27.57 53.15 2.29 -28.90 52.87 2.34 -28.23 3 0 11.79 -999 ? C22 PTY D1230 >ASN.C 133 47.99 2.51 -24.46 46.03 3.19 -23.97 47.01 2.85 -24.22 2 0 15.48 -999 ? C40 PTY D1230 >LEU.C 134 48.19 7.20 -28.10 49.96 7.04 -29.32 49.08 7.12 -28.71 3 0 16.59 -999 ? C22 PTY D1230 >ASN.C 135 43.76 6.27 -24.66 43.53 5.39 -26.60 43.65 5.83 -25.63 2 0 17.93 -999 ? C42 PTY D1230 >LYS.C 136 46.96 7.46 -21.33 48.79 3.20 -18.67 47.88 5.33 -20.00 2 0 16.32 -999 ? C38 PTY D1230 >PRO.C 137 46.36 10.65 -18.34 47.43 10.39 -20.30 46.90 10.52 -19.32 3 0 23.08 -999 ? C37 PTY D1230 >ILE.C 138 51.72 13.78 -20.76 52.40 14.57 -21.67 52.06 14.17 -21.22 3 0 17.44 -999 ? C29 PTY C1230 >ILE.C 139 52.89 10.38 -16.03 52.45 9.35 -15.45 52.67 9.87 -15.74 3 0 21.04 -999 ? C29 PTY C1230 >GLU.C 140 56.87 15.50 -13.58 56.92 16.14 -11.51 56.90 15.82 -12.54 2 0 20.93 -999 ? C29 PTY C1230 >ASN.C 141 59.99 11.83 -16.81 61.22 10.07 -16.79 60.60 10.95 -16.80 2 0 15.40 -999 ? C29 PTY C1230 >LYS.C 142 60.19 11.30 -12.08 57.86 14.95 -9.16 59.03 13.12 -10.62 2 0 22.62 -999 ? C29 PTY C1230 >ASN.C 143 63.61 8.40 -13.69 65.55 7.54 -13.83 64.58 7.97 -13.76 2 0 18.04 -999 ? C29 PTY C1230 >ASN.C 144 67.04 12.78 -11.84 65.41 14.15 -11.92 66.23 13.47 -11.88 2 0 18.00 -999 ? C29 PTY C1230 >VAL.C 145 69.25 8.69 -13.31 69.75 7.20 -11.78 69.50 7.94 -12.54 3 0 19.08 -999 ? C29 PTY C1230 >ASP.C 146 71.45 9.43 -17.58 71.02 11.51 -17.82 71.23 10.47 -17.70 2 0 13.27 -999 ? C29 PTY C1230 >VAL.C 147 70.49 5.32 -18.86 68.71 4.81 -20.08 69.60 5.06 -19.47 3 0 15.10 -999 ? C29 PTY C1230 >SER~C 148 73.75 4.77 -20.77 73.88 2.65 -21.95 73.82 3.71 -21.36 2 0 16.74 -999 ? C29 PTY C1230 >ILE~C 149 75.74 7.37 -24.42 76.33 8.67 -24.91 76.04 8.02 -24.67 3 0 12.87 -999 ? C29 PTY C1230 >LYS~C 150 74.43 3.12 -25.87 79.71 1.15 -26.50 77.07 2.14 -26.18 2 0 17.89 -999 ? O10 PTY D1230 >ARG~C 151 70.99 -0.29 -21.50 68.12 -0.85 -20.70 69.56 -0.57 -21.10 2 0 12.47 -999 ? C11 PTY D1230 >TYR~C 152 69.55 8.22 -25.18 68.24 10.38 -26.39 68.89 9.30 -25.79 3 0 7.85 -999 ? C29 PTY C1230 >ASN~C 153 72.20 5.83 -29.34 73.16 7.72 -28.92 72.68 6.77 -29.13 2 0 9.33 -999 ? C23 PTY C1230 >ASN~C 154 69.95 1.02 -28.65 68.72 -0.67 -28.94 69.33 0.18 -28.79 2 0 10.27 -999 ? C13 PTY D1230 >PHE~C 155 64.43 4.36 -26.02 61.77 5.11 -25.54 63.10 4.73 -25.78 3 0 12.49 -999 ? C29 PTY C1230 >VAL~C 156 65.89 6.37 -29.98 66.61 8.46 -29.88 66.25 7.42 -29.93 3 0 8.43 -999 ? C26 PTY C1230 >ASP~C 157 67.74 3.19 -33.26 69.62 4.11 -33.48 68.68 3.65 -33.37 2 0 8.30 -999 ? C20 PTY C1230 >ILE~C 158 63.67 1.00 -30.83 63.65 -0.18 -30.07 63.66 0.41 -30.45 3 0 9.24 -999 ? C14 PTY D1230 >ALA~C 159 61.59 4.89 -31.33 61.91 5.97 -30.26 61.75 5.43 -30.79 2 0 11.21 -999 ? C29 PTY C1230 >ARG~C 160 65.68 8.18 -35.36 68.46 9.30 -34.70 67.07 8.74 -35.03 2 0 4.12 -999 ? C20 PTY C1230 >LEU~C 161 62.10 1.98 -36.62 63.62 1.64 -38.07 62.86 1.81 -37.34 3 0 6.33 -999 ? C27 PTY D1230 >SER~C 162 58.21 2.59 -34.59 58.95 2.41 -32.31 58.58 2.50 -33.45 2 0 8.54 -999 ? C24 PTY D1230 >ILE~C 163 57.18 7.36 -33.85 57.21 8.82 -33.63 57.19 8.09 -33.74 3 0 11.73 -999 ? C12 PTY C1230 >GLN~C 164 58.96 5.77 -40.47 60.87 5.65 -41.43 59.92 5.71 -40.95 2 0 -3.52 -999 ? O7 PTY C1230s >LYS~C 165 55.60 3.00 -38.81 53.68 -2.81 -38.68 54.64 0.10 -38.74 2 0 4.30 -999 ? C24 PTY D1230 >HIS~C 166 51.47 5.24 -34.77 49.69 6.02 -33.98 50.58 5.63 -34.38 3 0 12.48 -999 ? C24 PTY D1230 >PHE~C 167 53.69 10.10 -39.25 53.44 12.52 -40.58 53.56 11.31 -39.91 3 0 9.31 -999 ? O10 PTY C1230 >GLU~C 168 55.38 6.27 -42.93 57.15 5.38 -43.70 56.27 5.83 -43.31 2 0 -2.97 -999 ? O14 PTY C1230s >HIS~C 169 48.55 2.14 -40.40 46.83 0.96 -40.63 47.69 1.55 -40.51 3 0 11.34 -999 ? C2 PTY C1230 >LEU~C 170 48.57 8.59 -39.62 48.90 8.72 -37.46 48.74 8.66 -38.54 3 0 12.89 -999 ? C2 PTY C1230 >SER~C 171 45.46 8.79 -42.72 43.66 10.01 -41.63 44.56 9.40 -42.18 2 0 14.95 -999 ? C2 PTY C1230 >ASN~C 172 46.12 12.17 -46.15 46.97 10.67 -47.47 46.54 11.42 -46.81 2 0 10.78 -999 ? N1 PTY C1230 >ASP~C 173 42.98 14.32 -42.22 42.08 12.42 -41.77 42.53 13.37 -41.99 2 0 17.23 -999 ? C2 PTY C1230 >GLN~C 174 44.68 11.28 -37.90 44.53 9.40 -37.01 44.60 10.34 -37.46 2 0 16.76 -999 ? C2 PTY C1230 >LYS~C 175 49.62 13.08 -40.74 50.49 8.35 -43.97 50.06 10.71 -42.36 2 0 8.04 -999 ? C2 PTY C1230 >ASP~C 176 48.01 17.56 -42.09 47.96 16.74 -44.08 47.98 17.15 -43.08 2 0 15.32 -999 ? O10 PTY C1230 >SER~C 177 48.08 17.38 -37.51 46.39 15.86 -36.87 47.24 16.62 -37.19 2 0 18.12 -999 ? O10 PTY C1230 >HIS~C 178 49.12 12.70 -35.49 47.29 11.98 -34.73 48.20 12.34 -35.11 3 0 16.50 -999 ? O10 PTY C1230 >VAL~C 179 53.81 15.87 -37.53 54.46 17.06 -39.25 54.14 16.46 -38.39 3 0 12.23 -999 ? O10 PTY C1230 >ASN.C 180 54.91 20.09 -35.55 56.02 20.18 -37.39 55.47 20.14 -36.47 2 0 13.14 -999 ? C27 PTY C1230 >ASN~C 181 51.10 16.66 -32.71 49.57 16.63 -31.23 50.34 16.64 -31.97 2 0 17.68 -999 ? C29 PTY C1230 >MET?C 182 54.34 17.38 -29.09 57.21 18.96 -29.78 55.78 18.17 -29.43 2 0 10.44 -999 ? C29 PTY C1230 >GLU~C 183 49.27 15.37 -25.93 47.16 15.85 -25.93 48.21 15.61 -25.93 2 0 20.38 -999 ? C29 PTY C1230 >TYR~C 184 51.58 11.91 -32.02 52.24 9.86 -33.75 51.91 10.89 -32.88 3 0 15.21 -999 ? O10 PTY C1230 >MET?C 185 55.24 12.32 -29.59 57.16 14.53 -32.57 56.20 13.42 -31.08 2 0 10.21 -999 ? C27 PTY C1230 >GLN~C 186 56.12 14.65 -24.71 55.63 15.87 -23.04 55.87 15.26 -23.88 2 0 13.35 -999 ? C29 PTY C1230 >LYS~C 187 52.63 10.02 -25.35 46.90 12.26 -25.20 49.76 11.14 -25.28 2 0 21.09 -999 ? C29 PTY C1230 >PHE~C 188 54.95 7.03 -30.10 55.35 4.82 -31.72 55.15 5.93 -30.91 3 0 12.36 -999 ? C24 PTY D1230 >VAL~C 189 57.77 8.14 -25.94 59.54 9.45 -26.06 58.66 8.79 -26.00 3 0 11.68 -999 ? C29 PTY C1230 >GLN~C 190 55.75 9.56 -21.52 54.76 10.67 -20.00 55.26 10.11 -20.76 2 0 16.62 -999 ? C29 PTY C1230 >GLY~C 191 54.27 4.32 -24.08 55.12 4.49 -24.12 54.69 4.41 -24.10 1 0 14.20 -999 ? C37 PTY D1230 >LEU~C 192 58.26 3.78 -26.61 58.61 2.99 -28.56 58.44 3.38 -27.58 3 0 12.33 -999 ? C15 PTY D1230 >GLN~C 193 60.47 5.57 -21.94 60.64 7.35 -20.77 60.56 6.46 -21.36 2 0 13.99 -999 ? C29 PTY C1230 >GLU~C 194 54.34 0.91 -19.45 52.31 1.55 -19.65 53.33 1.23 -19.55 2 0 13.45 -999 ? C37 PTY D1230 >ASN~C 195 55.77 -0.83 -24.74 55.76 -2.39 -26.25 55.77 -1.61 -25.50 2 0 7.23 -999 ? C37 PTY D1230 >ARG~C 196 61.71 -0.81 -26.81 63.62 -3.17 -26.74 62.67 -1.99 -26.78 2 0 6.41 -999 ? C13 PTY D1230 >ASN~C 197 60.60 -3.11 -19.26 61.07 -3.30 -17.18 60.84 -3.21 -18.22 2 0 11.89 -999 ? C36 PTY D1230 >ILE.C 198 64.24 1.10 -21.20 64.92 1.91 -22.29 64.58 1.51 -21.75 3 0 13.05 -999 ? C13 PTY D1230 >SER.C 199 63.09 4.16 -17.90 62.41 5.31 -15.88 62.75 4.73 -16.89 2 0 18.07 -999 ? C29 PTY C1230 >LEU.C 200 64.38 7.83 -20.70 64.65 6.84 -22.67 64.52 7.34 -21.68 3 0 12.03 -999 ? C29 PTY C1230 >SER~C 201 65.68 10.14 -17.23 67.61 11.37 -18.06 66.64 10.75 -17.65 2 0 12.53 -999 ? C29 PTY C1230 >LYS~C 202 63.49 13.25 -17.60 62.59 16.82 -14.19 63.04 15.03 -15.89 2 0 16.25 -999 ? C29 PTY C1230 >TYR~C 203 68.77 15.51 -19.97 70.96 15.72 -21.72 69.87 15.61 -20.85 3 0 9.31 -999 ? C29 PTY C1230 >GLN~C 204 68.66 10.55 -21.22 69.40 8.74 -20.38 69.03 9.64 -20.80 2 0 11.97 -999 ? C29 PTY C1230 >GLU~C 205 60.43 11.31 -21.92 58.95 11.12 -20.38 59.69 11.21 -21.15 2 0 13.34 -999 ? C29 PTY C1230 >ASN~C 206 62.99 16.56 -22.62 61.54 16.68 -21.00 62.26 16.62 -21.81 2 0 10.44 -999 ? C29 PTY C1230 >LYS~C 207 65.84 14.79 -25.75 71.53 12.62 -24.99 68.69 13.71 -25.37 2 0 -7.22 -999 ? C29 PTY C1230s >ALA~C 208 64.12 11.70 -27.27 63.62 10.49 -26.50 63.87 11.10 -26.89 2 0 7.21 -999 ? C29 PTY C1230 >VAL~C 209 60.93 13.70 -28.00 59.16 14.45 -26.95 60.04 14.08 -27.48 3 0 7.69 -999 ? C29 PTY C1230 >MET?C 210 62.87 16.43 -29.86 61.88 19.51 -29.01 62.38 17.97 -29.44 2 0 -6.48 -999 ? C29 PTY C1230s >ASP~C 211 65.46 12.58 -31.28 66.56 11.50 -32.74 66.01 12.04 -32.01 2 0 -3.72 -999 ? C25 PTY C1230s >LEU~C 212 60.33 11.40 -32.07 60.86 9.50 -31.16 60.60 10.45 -31.62 3 0 8.57 -999 ? C27 PTY C1230 >LYS~C 213 60.07 15.61 -34.03 58.52 20.77 -34.44 59.29 18.19 -34.24 2 0 10.33 -999 ? C27 PTY C1230 >TYR~C 214 65.44 16.47 -37.00 67.09 17.34 -39.08 66.26 16.91 -38.04 3 0 4.88 -999 ? C22 PTY C1230 >HIS~C 215 62.54 9.85 -37.60 62.60 8.13 -38.80 62.57 8.99 -38.20 3 0 5.26 -999 ? C14 PTY C1230 >LEU~C 216 57.72 13.00 -37.21 56.89 11.04 -36.49 57.31 12.02 -36.85 3 0 9.46 -999 ? C12 PTY C1230 >GLN~C 217 59.33 18.17 -38.74 60.58 19.61 -37.79 59.96 18.89 -38.27 2 0 9.50 -999 ? C27 PTY C1230 >LYS~C 218 61.59 14.24 -42.59 66.75 12.75 -40.87 64.17 13.50 -41.73 2 0 -3.00 -999 ? C15 PTY C1230s >VAL~C 219 59.23 11.24 -42.79 58.69 9.54 -41.50 58.96 10.39 -42.15 3 0 3.81 -999 ? O10 PTY C1230 >TYR~C 220 54.76 15.59 -43.02 52.36 16.88 -43.63 53.56 16.23 -43.33 3 0 10.69 -999 ? O10 PTY C1230 >ALA~C 221 58.79 15.48 -46.21 60.24 15.91 -46.00 59.52 15.69 -46.10 2 0 7.33 -999 ? O10 PTY C1230 >ASN~C 222 59.79 10.92 -47.54 59.59 9.24 -48.87 59.69 10.08 -48.20 2 0 -4.09 -999 ? C5 PTY C1230s >TYR~C 223 52.99 11.55 -46.87 50.26 12.08 -47.22 51.63 11.82 -47.04 3 0 8.93 -999 ? C2 PTY C1230 >LEU~C 224 55.09 16.28 -48.73 53.65 17.25 -47.35 54.37 16.76 -48.04 3 0 10.89 -999 ? O10 PTY C1230 >SER~C 225 57.06 14.27 -52.24 59.27 15.10 -52.13 58.17 14.68 -52.19 2 0 9.80 -999 ? O10 PTY C1230 >GLN~C 226 56.86 8.81 -51.97 56.63 6.92 -50.93 56.74 7.86 -51.45 2 0 3.61 -999 ? N1 PTY C1230 >GLU~C 227 49.95 12.89 -51.42 49.15 10.96 -50.97 49.55 11.93 -51.19 2 0 9.26 -999 ? N1 PTY C1230 >GLU~C 228 52.68 16.92 -54.41 53.61 18.68 -53.68 53.14 17.80 -54.05 2 0 15.20 -999 ? O10 PTY C1230 >ASN.D 130 74.18 -25.18 -44.35 73.13 -26.72 -45.42 73.66 -25.95 -44.89 2 0 -21.24 -999 ? O12 PTY D1230s >LYS.D 131 76.39 -20.93 -44.36 80.03 -22.01 -40.59 78.21 -21.47 -42.48 2 0 18.43 -999 ? O12 PTY D1230 >ILE.D 132 74.68 -16.42 -44.77 73.42 -16.65 -45.45 74.05 -16.53 -45.11 3 0 18.54 -999 ? O12 PTY D1230 >ASN.D 133 79.09 -16.30 -48.78 81.17 -15.91 -49.16 80.13 -16.10 -48.97 2 0 24.45 -999 ? C43 PTY C1230 >LEU.D 134 78.97 -11.86 -44.83 77.19 -12.08 -43.56 78.08 -11.97 -44.19 3 0 19.06 -999 ? O10 PTY D1230 >ASN.D 135 83.39 -12.77 -48.33 83.83 -13.49 -46.35 83.61 -13.13 -47.34 2 0 22.51 -999 ? C44 PTY C1230 >LYS.D 136 80.22 -11.59 -51.71 79.18 -17.20 -52.99 79.70 -14.40 -52.35 2 0 26.09 -999 ? C29 PTY D1230 >PRO.D 137 81.28 -8.47 -54.53 79.74 -8.74 -52.91 80.51 -8.61 -53.72 3 0 19.24 -999 ? C43 PTY C1230 >ILE.D 138 75.38 -5.48 -52.28 74.66 -4.81 -51.27 75.02 -5.14 -51.77 3 0 14.30 -999 ? C40 PTY C1230 >ILE.D 139 74.33 -8.66 -57.25 74.94 -9.71 -58.04 74.64 -9.18 -57.65 3 0 20.27 -999 ? C40 PTY C1230 >GLU.D 140 70.31 -3.34 -59.17 69.99 -2.69 -61.18 70.15 -3.01 -60.18 2 0 17.47 -999 ? O4 PTY C1230 >ASN.D 141 67.29 -7.00 -56.05 65.78 -8.53 -56.02 66.54 -7.76 -56.03 2 0 15.39 -999 ? C29 PTY D1230 >LYS.D 142 66.61 -7.31 -60.80 68.38 -3.15 -63.42 67.49 -5.23 -62.11 2 0 19.06 -999 ? O4 PTY C1230 >ASN.D 143 63.09 -9.82 -59.03 61.82 -11.41 -59.62 62.46 -10.62 -59.33 2 0 18.69 -999 ? C29 PTY D1230 >ASN.D 144 59.38 -6.01 -61.37 61.05 -4.97 -62.17 60.22 -5.49 -61.77 2 0 16.37 -999 ? N1 PTY C1230 >VAL.D 145 57.65 -9.94 -59.55 57.02 -11.49 -61.01 57.33 -10.72 -60.28 3 0 18.13 -999 ? N1 PTY C1230 >ASP.D 146 55.43 -9.52 -55.26 55.68 -7.45 -54.85 55.55 -8.48 -55.06 2 0 12.43 -999 ? N1 PTY C1230 >VAL.D 147 56.92 -13.65 -54.48 58.24 -14.76 -53.13 57.58 -14.21 -53.80 3 0 15.58 -999 ? C29 PTY D1230 >SER~D 148 53.63 -14.61 -52.76 53.35 -16.76 -51.62 53.49 -15.68 -52.19 2 0 17.25 -999 ? C29 PTY D1230 >ILE~D 149 51.34 -12.16 -49.17 50.62 -10.88 -48.75 50.98 -11.52 -48.96 3 0 13.38 -999 ? C29 PTY D1230 >LYS~D 150 52.70 -16.13 -47.47 47.31 -19.64 -46.75 50.01 -17.88 -47.11 2 0 17.16 -999 ? C44 PTY D1230 >ARG~D 151 56.30 -19.65 -51.71 59.23 -19.94 -52.60 57.76 -19.79 -52.16 2 0 19.31 -999 ? C29 PTY D1230 >TYR~D 152 57.43 -10.97 -48.17 58.61 -8.82 -46.85 58.02 -9.89 -47.51 3 0 8.24 -999 ? C29 PTY D1230 >ASN~D 153 54.87 -13.35 -44.00 53.76 -11.56 -44.57 54.32 -12.46 -44.28 2 0 9.90 -999 ? C23 PTY D1230 >ASN~D 154 57.14 -18.20 -44.49 58.37 -19.85 -44.02 57.76 -19.02 -44.26 2 0 15.28 -999 ? C20 PTY D1230 >PHE~D 155 62.59 -14.97 -47.17 65.25 -14.17 -47.62 63.92 -14.57 -47.39 3 0 12.95 -999 ? C29 PTY D1230 >VAL~D 156 61.18 -12.82 -43.23 60.48 -10.73 -43.30 60.83 -11.78 -43.27 3 0 8.68 -999 ? C29 PTY D1230 >ASP~D 157 59.24 -15.98 -40.04 57.36 -15.05 -39.56 58.30 -15.51 -39.80 2 0 8.70 -999 ? C20 PTY D1230 >ILE~D 158 63.40 -18.11 -42.37 63.45 -19.32 -43.08 63.43 -18.71 -42.73 3 0 14.94 -999 ? O30 PTY D1230 >ALA~D 159 65.53 -14.20 -41.86 65.24 -13.14 -42.93 65.39 -13.67 -42.40 2 0 11.44 -999 ? C29 PTY D1230 >ARG~D 160 61.36 -11.21 -37.92 58.74 -9.74 -38.22 60.05 -10.47 -38.07 2 0 4.12 -999 ? C21 PTY D1230 >LEU~D 161 65.00 -17.21 -36.55 63.42 -17.47 -35.14 64.21 -17.34 -35.85 3 0 8.08 -999 ? O30 PTY D1230 >SER~D 162 68.79 -16.60 -38.66 68.41 -16.12 -40.93 68.60 -16.36 -39.79 2 0 13.22 -999 ? O10 PTY D1230 >ILE~D 163 69.88 -11.81 -39.33 69.81 -10.37 -39.52 69.85 -11.09 -39.42 3 0 11.04 -999 ? O10 PTY D1230 >GLN~D 164 68.15 -13.14 -32.72 66.29 -13.58 -31.76 67.22 -13.36 -32.24 2 0 -3.71 -999 ? O7 PTY D1230s >LYS~D 165 71.48 -16.17 -34.26 67.82 -20.09 -33.95 69.65 -18.13 -34.10 2 0 -7.47 -999 ? O12 PTY D1230s >HIS~D 166 75.64 -13.88 -38.22 77.43 -13.06 -38.96 76.54 -13.47 -38.59 3 0 13.95 -999 ? O10 PTY D1230 >PHE~D 167 73.27 -9.18 -33.81 73.54 -6.77 -32.46 73.41 -7.97 -33.13 3 0 8.44 -999 ? O10 PTY D1230 >GLU~D 168 71.64 -12.94 -30.11 69.78 -13.84 -29.53 70.71 -13.39 -29.82 2 0 -3.24 -999 ? O14 PTY D1230s >HIS~D 169 78.30 -17.06 -32.74 79.95 -18.34 -32.53 79.12 -17.70 -32.64 3 0 11.89 -999 ? C3 PTY D1230 >LEU~D 170 78.59 -10.70 -33.36 78.21 -10.29 -35.47 78.40 -10.49 -34.41 3 0 12.83 -999 ? O10 PTY D1230 >SER~D 171 81.56 -10.38 -30.14 83.28 -9.12 -31.27 82.42 -9.75 -30.70 2 0 15.20 -999 ? C2 PTY D1230 >ASN~D 172 80.92 -6.95 -26.80 80.25 -8.38 -25.32 80.59 -7.66 -26.06 2 0 11.33 -999 ? C2 PTY D1230 >ASP~D 173 84.05 -4.88 -30.58 84.85 -6.76 -31.21 84.45 -5.82 -30.90 2 0 17.43 -999 ? C2 PTY D1230 >GLN~D 174 82.47 -7.95 -35.08 82.55 -9.85 -36.03 82.51 -8.90 -35.56 2 0 17.13 -999 ? C2 PTY D1230 >LYS~D 175 77.42 -6.14 -32.22 76.73 -10.74 -29.17 77.07 -8.44 -30.69 2 0 8.50 -999 ? C2 PTY D1230 >ASP~D 176 79.10 -1.73 -30.84 78.98 -2.39 -28.77 79.04 -2.06 -29.80 2 0 14.90 -999 ? O10 PTY D1230 >SER~D 177 79.09 -1.90 -35.39 81.01 -3.27 -35.72 80.05 -2.58 -35.56 2 0 14.33 -999 ? C44 PTY C1230 >HIS~D 178 77.99 -6.47 -37.46 79.68 -7.41 -38.28 78.84 -6.94 -37.87 3 0 15.58 -999 ? O10 PTY D1230 >VAL~D 179 73.28 -2.99 -35.60 72.97 -2.44 -33.47 73.13 -2.71 -34.53 3 0 11.94 -999 ? O10 PTY D1230 >ASN.D 180 72.29 0.78 -37.51 70.92 0.96 -35.91 71.60 0.87 -36.71 2 0 9.64 -999 ? C18 PTY C1230 >ASN~D 181 76.10 -2.61 -40.30 77.56 -2.56 -41.81 76.83 -2.58 -41.06 2 0 10.31 -999 ? C44 PTY C1230 >MET?D 182 72.99 -1.70 -43.91 69.96 -0.23 -43.44 71.47 -0.97 -43.68 2 0 7.57 -999 ? C32 PTY C1230 >GLU~D 183 78.03 -3.63 -47.08 80.12 -3.39 -47.00 79.07 -3.51 -47.04 2 0 12.03 -999 ? C44 PTY C1230 >TYR~D 184 75.49 -7.24 -41.02 74.81 -9.27 -39.25 75.15 -8.26 -40.13 3 0 14.33 -999 ? O10 PTY D1230 >MET?D 185 71.86 -6.60 -43.62 70.20 -4.61 -40.54 71.03 -5.60 -42.08 2 0 10.55 -999 ? C27 PTY D1230 >GLN~D 186 71.26 -4.13 -48.30 72.10 -2.48 -49.36 71.68 -3.31 -48.83 2 0 10.90 -999 ? C41 PTY C1230 >LYS~D 187 74.54 -9.02 -47.65 80.47 -6.99 -47.20 77.51 -8.01 -47.43 2 0 15.50 -999 ? C44 PTY C1230 >PHE~D 188 72.20 -12.06 -42.94 72.01 -14.40 -41.40 72.11 -13.23 -42.17 3 0 14.52 -999 ? O10 PTY D1230 >VAL~D 189 69.29 -10.95 -47.13 67.48 -9.73 -46.96 68.38 -10.34 -47.05 3 0 12.05 -999 ? C29 PTY D1230 >GLN~D 190 71.27 -9.47 -51.75 72.36 -8.31 -53.19 71.82 -8.89 -52.47 2 0 17.14 -999 ? C29 PTY D1230 >GLY~D 191 72.81 -14.59 -48.89 71.99 -14.45 -48.96 72.40 -14.52 -48.93 1 0 18.43 -999 ? C29 PTY D1230 >LEU~D 192 68.65 -15.57 -46.56 68.34 -15.97 -44.49 68.49 -15.77 -45.53 3 0 15.63 -999 ? C29 PTY D1230 >GLN~D 193 66.73 -13.44 -51.09 66.62 -11.63 -52.22 66.68 -12.53 -51.66 2 0 14.36 -999 ? C29 PTY D1230 >GLU~D 194 72.47 -16.47 -53.74 74.44 -15.84 -53.22 73.46 -16.16 -53.48 2 0 22.04 -999 ? C29 PTY D1230 >ASN~D 195 71.24 -20.20 -48.57 73.40 -20.31 -48.53 72.32 -20.26 -48.55 2 0 22.01 -999 ? O12 PTY D1230 >ARG~D 196 65.38 -19.51 -46.44 64.28 -22.31 -45.95 64.83 -20.91 -46.20 2 0 19.27 -999 ? O30 PTY D1230 >ASN.D 197 66.42 -22.16 -53.96 67.36 -22.53 -55.81 66.89 -22.35 -54.88 2 0 24.48 -999 ? C29 PTY D1230 >ILE.D 198 63.11 -17.81 -52.00 62.36 -17.14 -51.01 62.74 -17.47 -51.51 3 0 16.93 -999 ? C29 PTY D1230 >SER.D 199 64.16 -14.76 -55.18 64.42 -13.82 -57.33 64.29 -14.29 -56.25 2 0 18.50 -999 ? C29 PTY D1230 >LEU.D 200 62.68 -11.11 -52.45 62.44 -11.90 -50.40 62.56 -11.50 -51.42 3 0 12.22 -999 ? C29 PTY D1230 >SER~D 201 61.50 -8.68 -55.84 59.42 -7.74 -55.05 60.46 -8.21 -55.45 2 0 12.90 -999 ? C29 PTY D1230 >LYS~D 202 63.62 -5.52 -55.39 67.38 -0.97 -57.59 65.50 -3.25 -56.49 2 0 12.87 -999 ? O4 PTY C1230 >TYR~D 203 58.30 -3.46 -53.04 56.53 -2.47 -51.13 57.42 -2.97 -52.08 3 0 7.44 -999 ? C3 PTY C1230 >GLN~D 204 58.46 -8.63 -51.78 57.69 -10.42 -52.65 58.08 -9.53 -52.22 2 0 12.23 -999 ? C29 PTY D1230 >GLU~D 205 66.69 -7.57 -51.26 68.02 -7.98 -52.89 67.35 -7.78 -52.07 2 0 13.86 -999 ? C29 PTY D1230 >ASN~D 206 64.01 -2.42 -50.33 65.43 -2.05 -51.92 64.72 -2.24 -51.13 2 0 8.90 -999 ? O13 PTY C1230 >LYS~D 207 61.29 -4.22 -47.26 55.42 -5.97 -47.72 58.36 -5.10 -47.49 2 0 -6.90 -999 ? C29 PTY D1230s >ALA~D 208 63.04 -7.29 -45.73 63.38 -8.57 -46.49 63.21 -7.93 -46.11 2 0 7.46 -999 ? C29 PTY D1230 >VAL~D 209 66.29 -5.37 -45.09 67.99 -4.53 -46.24 67.14 -4.95 -45.66 3 0 8.21 -999 ? C29 PTY D1230 >MET?D 210 64.36 -2.70 -43.14 65.29 0.45 -43.91 64.82 -1.12 -43.53 2 0 4.50 -999 ? O30 PTY C1230 >ASP~D 211 61.56 -6.46 -41.83 60.60 -7.72 -40.41 61.08 -7.09 -41.12 2 0 -4.38 -999 ? C25 PTY D1230s >LEU~D 212 66.69 -7.80 -40.96 66.21 -9.79 -41.69 66.45 -8.80 -41.32 3 0 9.01 -999 ? C27 PTY D1230 >LYS~D 213 67.15 -3.60 -39.09 67.86 2.50 -40.28 67.51 -0.55 -39.69 2 0 5.90 -999 ? C32 PTY C1230 >TYR~D 214 61.85 -2.60 -36.19 60.11 -1.82 -34.16 60.98 -2.21 -35.18 3 0 -4.58 -999 ? C24 PTY D1230s >HIS~D 215 64.53 -9.16 -35.61 64.37 -10.90 -34.43 64.45 -10.03 -35.02 3 0 5.32 -999 ? C14 PTY D1230 >LEU~D 216 69.46 -6.18 -35.77 70.44 -7.97 -36.62 69.95 -7.08 -36.20 3 0 8.98 -999 ? O10 PTY D1230 >GLN~D 217 67.64 -0.98 -34.30 66.41 0.43 -35.27 67.03 -0.28 -34.78 2 0 9.00 -999 ? C27 PTY D1230 >LYS~D 218 65.38 -4.91 -30.53 60.38 -6.41 -32.84 62.88 -5.66 -31.68 2 0 -3.32 -999 ? C16 PTY D1230s >VAL~D 219 67.80 -7.84 -30.31 68.33 -9.61 -31.52 68.06 -8.73 -30.91 3 0 -3.41 -999 ? O10 PTY D1230s >TYR~D 220 72.28 -3.59 -30.00 74.65 -2.28 -29.32 73.46 -2.94 -29.66 3 0 10.53 -999 ? O10 PTY D1230 >ALA~D 221 68.27 -3.72 -26.89 66.84 -3.26 -27.09 67.56 -3.49 -26.99 2 0 7.28 -999 ? C11 PTY D1230 >ASN~D 222 67.19 -8.30 -25.56 67.74 -10.06 -24.43 67.47 -9.18 -25.00 2 0 -3.65 -999 ? C5 PTY D1230s >TYR~D 223 74.10 -7.39 -26.27 76.82 -6.88 -25.95 75.46 -7.14 -26.11 3 0 9.04 -999 ? C2 PTY D1230 >LEU~D 224 72.17 -2.77 -24.32 73.42 -1.85 -25.88 72.80 -2.31 -25.10 3 0 11.22 -999 ? O10 PTY D1230 >SER~D 225 70.10 -4.83 -20.87 68.00 -3.96 -21.26 69.05 -4.40 -21.07 2 0 9.92 -999 ? C11 PTY D1230 >GLN~D 226 71.97 -9.78 -22.07 71.33 -11.58 -23.11 71.65 -10.68 -22.59 2 0 -3.08 -999 ? N1 PTY D1230s >GLU~D 227 77.21 -5.67 -21.77 77.55 -3.50 -21.67 77.38 -4.59 -21.72 2 0 13.19 -999 ? N1 PTY D1230 >GLU~D 228 74.51 -2.09 -19.27 73.53 -0.30 -19.93 74.02 -1.19 -19.60 2 0 14.89 -999 ? N1 PTY D1230 >ASN.E 130 53.95 5.75 77.33 52.10 4.73 77.42 53.03 5.24 77.37 2 0 19.92 -999 ? O12 PTY E1230 >LYS.E 131 54.93 10.00 78.48 54.04 8.07 82.42 54.49 9.04 80.45 2 0 19.63 -999 ? O11 PTY E1230 >ILE.E 132 54.40 14.72 77.72 54.23 14.85 76.93 54.31 14.78 77.32 3 0 18.96 -999 ? O12 PTY E1230 >ASN.E 133 59.98 13.83 79.28 61.48 14.07 80.75 60.73 13.95 80.01 2 0 25.84 -999 ? O11 PTY E1230 >LEU.E 134 56.88 18.52 81.40 54.73 18.46 80.91 55.81 18.49 81.16 3 0 19.79 -999 ? O10 PTY E1230 >ASN.E 135 62.44 18.00 82.51 61.15 17.18 84.01 61.80 17.59 83.26 2 0 25.53 -999 ? O14 PTY E1230 >LYS.E 136 63.12 18.86 77.96 63.75 15.20 74.60 63.43 17.03 76.28 2 0 26.25 -999 ? C27 PTY E1230 >PRO.E 137 65.95 21.80 76.32 63.75 21.70 76.80 64.85 21.75 76.56 3 0 25.80 -999 ? C27 PTY E1230 >ILE.E 138 61.24 25.07 73.26 60.17 25.95 73.07 60.71 25.51 73.17 3 0 20.21 -999 ? C28 PTY E1230 >ILE.E 139 63.88 20.99 69.84 65.29 20.80 70.00 64.58 20.89 69.92 3 0 24.08 -999 ? C28 PTY E1230 >GLU.E 140 63.52 26.70 65.50 65.04 27.51 64.22 64.28 27.11 64.86 2 0 23.35 -999 ? C28 PTY E1230 >ASN.E 141 59.47 22.83 64.55 58.68 21.23 63.35 59.07 22.03 63.95 2 0 18.39 -999 ? C28 PTY E1230 >LYS.E 142 63.06 22.87 61.35 67.42 24.94 63.41 65.24 23.91 62.38 2 0 25.97 -999 ? C28 PTY E1230 >ASN.E 143 59.69 19.68 59.95 58.53 18.64 58.51 59.11 19.16 59.23 2 0 20.68 -999 ? C28 PTY E1230 >ASN.E 144 59.65 23.82 55.95 60.50 25.08 57.46 60.08 24.45 56.71 2 0 20.93 -999 ? C28 PTY E1230 >VAL.E 145 56.94 19.86 54.92 57.96 18.32 53.73 57.45 19.09 54.33 3 0 20.54 -999 ? O10 PTY B1230 >ASP.E 146 52.08 20.71 55.44 52.27 22.89 55.81 52.18 21.80 55.63 2 0 15.72 -999 ? C28 PTY E1230 >VAL.E 147 51.49 16.61 56.96 51.60 16.03 59.10 51.54 16.32 58.03 3 0 16.78 -999 ? C26 PTY E1230 >SER~E 148 48.02 16.15 55.39 47.14 13.97 55.90 47.58 15.06 55.64 2 0 17.11 -999 ? C26 PTY E1230 >ILE~E 149 44.10 18.94 56.17 43.36 20.21 55.95 43.73 19.57 56.06 3 0 12.43 -999 ? C26 PTY E1230 >LYS~E 150 43.34 14.73 57.89 39.95 11.28 53.86 41.65 13.00 55.87 2 0 17.37 -999 ? C44 PTY E1230 >ARG~E 151 49.01 11.20 58.65 51.65 10.47 60.02 50.33 10.84 59.33 2 0 19.62 -999 ? C44 PTY A1230 >TYR~E 152 46.72 19.83 61.47 46.65 21.98 63.29 46.68 20.91 62.38 3 0 8.85 -999 ? C26 PTY E1230 >ASN~E 153 41.94 17.30 61.74 41.63 19.09 60.64 41.79 18.19 61.19 2 0 8.83 -999 ? C26 PTY E1230 >ASN~E 154 43.53 12.45 63.27 44.06 10.83 64.52 43.80 11.64 63.89 2 0 15.45 -999 ? C26 PTY E1230 >PHE~E 155 49.06 15.65 66.10 50.99 16.59 67.93 50.02 16.12 67.02 3 0 13.61 -999 ? C26 PTY E1230 >VAL~E 156 45.08 17.91 67.22 44.64 19.97 66.60 44.86 18.94 66.91 3 0 8.14 -999 ? C26 PTY E1230 >ASP~E 157 41.43 14.73 67.51 39.83 15.68 66.47 40.63 15.21 66.99 2 0 9.05 -999 ? C18 PTY E1230 >ILE~E 158 45.64 12.47 69.52 46.14 11.30 69.01 45.89 11.88 69.26 3 0 15.14 -999 ? C12 PTY E1230 >ALA~E 159 46.59 16.46 71.61 47.34 17.50 70.79 46.97 16.98 71.20 2 0 11.50 -999 ? C27 PTY E1230 >ARG~E 160 40.84 19.68 70.65 39.46 20.82 68.19 40.15 20.25 69.42 2 0 5.13 -999 ? C25 PTY E1230 >LEU~E 161 41.97 13.69 74.38 39.85 13.28 74.01 40.91 13.48 74.19 3 0 8.09 -999 ? O12 PTY E1230 >SER~E 162 46.04 14.25 76.29 47.06 13.14 74.38 46.55 13.69 75.34 2 0 12.99 -999 ? O12 PTY E1230 >ILE~E 163 47.27 19.02 76.70 47.39 20.50 76.49 47.33 19.76 76.60 3 0 11.34 -999 ? O10 PTY E1230 >GLN~E 164 40.80 17.46 79.15 38.93 17.24 78.23 39.86 17.35 78.69 2 0 -3.79 -999 ? O7 PTY E1230s >LYS~E 165 43.92 14.72 80.94 45.96 9.66 82.36 44.94 12.19 81.65 2 0 11.59 -999 ? O11 PTY E1230 >HIS~E 166 49.54 17.09 82.11 51.12 17.97 83.17 50.33 17.53 82.64 3 0 14.64 -999 ? O14 PTY E1230 >PHE~E 167 44.55 21.98 82.44 43.94 24.57 83.32 44.25 23.27 82.88 3 0 9.17 -999 ? O10 PTY E1230 >GLU~E 168 40.50 18.14 83.51 39.11 16.94 82.36 39.80 17.54 82.94 2 0 -3.51 -999 ? O14 PTY E1230s >HIS.E 169 46.61 14.38 87.78 47.44 13.25 89.34 47.03 13.81 88.56 3 0 12.93 -999 ? C2 PTY E1230 >LEU.E 170 47.19 20.77 87.04 48.84 20.85 85.56 48.02 20.81 86.30 3 0 13.58 -999 ? O14 PTY E1230 >SER~E 171 46.32 21.38 91.28 48.26 22.52 92.16 47.29 21.95 91.72 2 0 17.16 -999 ? O14 PTY E1230 >ASN~E 172 43.40 25.03 92.71 41.35 24.36 92.71 42.37 24.70 92.71 2 0 14.26 -999 ? O14 PTY E1230 >ASP~E 173 48.21 27.08 92.74 49.24 25.23 93.13 48.72 26.16 92.94 2 0 19.40 -999 ? O14 PTY E1230 >GLN~E 174 50.69 23.58 89.75 51.91 21.92 89.26 51.30 22.75 89.50 2 0 18.46 -999 ? O14 PTY E1230 >LYS~E 175 45.99 25.08 86.35 42.43 20.77 87.46 44.21 22.92 86.91 2 0 9.51 -999 ? O14 PTY E1230 >ASP~E 176 45.91 29.30 88.49 44.51 30.71 88.88 45.21 30.00 88.68 2 0 16.16 -999 ? O10 PTY E1230 >SER~E 177 49.44 29.24 85.92 50.63 27.54 87.13 50.03 28.39 86.53 2 0 17.77 -999 ? O10 PTY E1230 >HIS~E 178 50.53 24.77 83.86 52.23 24.20 84.95 51.38 24.49 84.41 3 0 16.42 -999 ? O10 PTY E1230 >VAL~E 179 45.90 27.74 81.13 44.03 28.43 82.01 44.97 28.08 81.57 3 0 11.53 -999 ? O10 PTY E1230 >ASN.E 180 47.09 31.90 79.32 44.96 32.17 79.20 46.03 32.04 79.26 2 0 13.35 -999 ? C29 PTY E1230 >ASN~E 181 51.57 28.31 80.51 53.62 28.57 80.78 52.59 28.44 80.64 2 0 18.44 -999 ? C27 PTY E1230 >MET?E 182 52.42 28.86 75.72 50.44 30.59 73.38 51.43 29.73 74.55 2 0 11.43 -999 ? C28 PTY E1230 >GLU~E 183 58.05 27.37 77.58 59.24 27.78 79.30 58.64 27.57 78.44 2 0 21.67 -999 ? C27 PTY E1230 >TYR~E 184 51.58 23.59 79.95 49.74 21.61 80.69 50.66 22.60 80.32 3 0 14.52 -999 ? O10 PTY E1230 >MET?E 185 51.54 23.84 75.44 48.26 26.09 75.75 49.90 24.97 75.59 2 0 11.03 -999 ? C27 PTY E1230 >GLN~E 186 56.10 24.65 71.46 57.49 26.11 70.82 56.79 25.38 71.14 2 0 16.39 -999 ? C28 PTY E1230 >LYS~E 187 56.42 21.21 75.32 59.18 22.89 79.69 57.80 22.05 77.51 2 0 22.12 -999 ? C27 PTY E1230 >PHE~E 188 51.29 18.46 76.30 50.32 16.30 77.76 50.81 17.38 77.03 3 0 15.07 -999 ? O10 PTY E1230 >VAL~E 189 52.92 19.33 71.11 51.94 20.74 69.72 52.43 20.03 70.41 3 0 13.32 -999 ? C27 PTY E1230 >GLN~E 190 57.65 20.81 70.26 59.44 21.93 70.36 58.54 21.37 70.31 2 0 18.99 -999 ? C27 PTY E1230 >GLY~E 191 56.67 15.59 73.04 56.15 15.77 72.40 56.41 15.68 72.72 1 0 19.79 -999 ? C27 PTY E1230 >LEU~E 192 52.18 15.06 71.46 50.35 14.25 72.25 51.27 14.65 71.85 3 0 16.24 -999 ? C27 PTY E1230 >GLN~E 193 54.67 16.74 66.68 55.56 18.60 66.20 55.11 17.67 66.44 2 0 16.38 -999 ? C27 PTY E1230 >GLU~E 194 60.19 12.27 70.61 61.51 13.45 71.78 60.85 12.86 71.19 2 0 24.54 -999 ? C27 PTY E1230 >ASN~E 195 55.09 10.02 72.08 56.25 10.44 73.86 55.67 10.23 72.97 2 0 22.16 -999 ? O12 PTY E1230 >ARG~E 196 50.24 10.75 68.97 48.92 8.01 68.53 49.58 9.38 68.75 2 0 19.10 -999 ? O12 PTY E1230 >ASN.E 197 56.88 8.15 65.00 58.73 8.20 63.92 57.80 8.18 64.46 2 0 19.22 -999 ? C43 PTY A1230 >ILE.E 198 53.09 12.60 63.71 51.92 13.45 63.70 52.50 13.02 63.71 3 0 17.74 -999 ? C26 PTY E1230 >SER.E 199 56.49 15.36 62.33 58.54 16.43 61.59 57.52 15.90 61.96 2 0 20.79 -999 ? C27 PTY E1230 >LEU.E 200 53.58 19.13 62.97 51.70 18.22 63.77 52.64 18.67 63.37 3 0 14.35 -999 ? C27 PTY E1230 >SER~E 201 55.84 21.52 60.16 54.07 22.41 58.81 54.96 21.97 59.49 2 0 15.44 -999 ? C28 PTY E1230 >LYS~E 202 56.83 24.72 61.94 60.99 28.44 64.23 58.91 26.58 63.09 2 0 19.33 -999 ? C28 PTY E1230 >TYR~E 203 51.85 26.93 59.01 49.15 27.36 58.39 50.50 27.15 58.70 3 0 11.66 -999 ? C28 PTY E1230 >GLN~E 204 50.72 21.92 59.73 50.72 20.13 58.56 50.72 21.03 59.14 2 0 14.08 -999 ? C26 PTY E1230 >GLU~E 205 54.96 22.93 66.93 57.00 22.35 67.19 55.98 22.64 67.06 2 0 16.19 -999 ? C28 PTY E1230 >ASN~E 206 52.96 28.04 65.27 55.11 28.19 65.23 54.03 28.11 65.25 2 0 13.38 -999 ? C28 PTY E1230 >LYS~E 207 48.84 26.30 64.84 44.78 25.99 60.12 46.81 26.15 62.48 2 0 7.22 -999 ? C28 PTY E1230 >ALA~E 208 48.45 23.23 67.11 49.28 21.94 67.02 48.86 22.59 67.07 2 0 9.24 -999 ? C27 PTY E1230 >VAL~E 209 49.72 25.30 70.07 51.64 25.97 70.82 50.68 25.64 70.45 3 0 9.97 -999 ? C27 PTY E1230 >MET?E 210 47.13 27.92 69.36 48.55 30.85 69.72 47.84 29.39 69.54 2 0 8.10 -999 ? C28 PTY E1230 >ASP~E 211 44.42 24.09 68.12 42.85 22.71 68.47 43.63 23.40 68.29 2 0 -4.38 -999 ? C27 PTY E1230s >LEU~E 212 46.74 22.89 72.76 47.05 20.77 72.14 46.89 21.83 72.45 3 0 9.04 -999 ? C27 PTY E1230 >LYS~E 213 45.12 26.99 74.08 45.93 32.77 75.06 45.52 29.88 74.57 2 0 10.27 -999 ? C29 PTY E1230 >TYR~E 214 39.63 28.00 71.29 37.09 29.25 71.12 38.36 28.63 71.20 3 0 5.15 -999 ? C29 PTY E1230 >HIS~E 215 40.91 21.44 74.18 39.82 19.81 74.94 40.36 20.63 74.56 3 0 4.95 -999 ? C12 PTY E1230 >LEU~E 216 43.83 24.52 77.97 45.14 22.82 78.56 44.49 23.67 78.27 3 0 8.65 -999 ? O10 PTY E1230 >GLN~E 217 41.63 29.57 77.22 41.67 31.18 75.85 41.65 30.37 76.54 2 0 9.29 -999 ? C29 PTY E1230 >LYS~E 218 37.25 25.62 77.63 36.16 24.73 71.85 36.71 25.17 74.74 2 0 -3.48 -999 ? C15 PTY E1230s >VAL~E 219 38.51 22.77 79.85 39.85 21.06 79.64 39.18 21.92 79.75 3 0 -3.14 -999 ? O10 PTY E1230s >TYR~E 220 40.78 27.12 83.58 41.55 28.46 85.89 41.16 27.79 84.74 3 0 10.20 -999 ? O10 PTY E1230 >ALA~E 221 35.90 27.06 82.20 35.24 27.61 80.97 35.57 27.33 81.59 2 0 7.03 -999 ? O10 PTY E1230 >ASN~E 222 34.43 22.43 81.88 33.15 20.86 82.54 33.79 21.65 82.21 2 0 -3.59 -999 ? C5 PTY E1230s >TYR~E 223 38.56 23.21 87.08 39.81 24.00 89.45 39.18 23.60 88.26 3 0 9.66 -999 ? C5 PTY E1230 >LEU~E 224 36.07 27.88 86.65 37.93 29.01 86.81 37.00 28.44 86.73 3 0 10.83 -999 ? O10 PTY E1230 >SER~E 225 32.02 26.14 87.03 31.03 25.28 84.94 31.52 25.71 85.98 2 0 8.67 -999 ? C1 PTY E1230 >GLN~E 226 32.13 20.50 87.15 33.18 18.66 86.75 32.65 19.58 86.95 2 0 5.26 -999 ? C3 PTY E1230 >GLU~E 227 36.35 24.55 92.31 37.22 22.63 92.35 36.79 23.59 92.33 2 0 11.85 -999 ? C3 PTY E1230 >GLU.E 228 30.43 27.67 92.51 31.92 28.20 91.09 31.17 27.94 91.80 2 0 14.43 -999 ? C5 PTY E1230 >ASN.F 130 71.05 -10.37 -3.71 70.42 -11.65 -2.13 70.74 -11.01 -2.92 2 0 21.16 -999 ? N1 PTY D1230 >LYS.F 131 69.75 -7.86 -7.80 71.84 -7.76 -13.29 70.80 -7.81 -10.54 2 0 11.99 -999 ? N1 PTY D1230 >ILE.F 132 70.31 -3.23 -6.16 70.69 -3.44 -4.73 70.50 -3.34 -5.45 3 0 18.65 -999 ? O12 PTY F1230 >ASN.F 133 64.76 -3.08 -7.78 63.23 -2.45 -9.14 64.00 -2.76 -8.46 2 0 19.49 -999 ? C36 PTY D1230 >LEU.F 134 68.18 1.48 -9.54 70.06 1.19 -8.46 69.12 1.33 -9.00 3 0 19.70 -999 ? O10 PTY F1230 >ASN.F 135 62.93 0.80 -11.84 64.41 -0.41 -12.80 63.67 0.19 -12.32 2 0 18.00 -999 ? C36 PTY D1230 >LYS.F 136 61.46 2.14 -7.57 59.72 -1.18 -4.34 60.59 0.48 -5.96 2 0 23.51 -999 ? C36 PTY D1230 >PRO.F 137 58.61 5.35 -7.29 60.71 5.01 -6.57 59.66 5.18 -6.93 3 0 24.01 -999 ? C29 PTY F1230 >ILE.F 138 63.38 8.35 -3.18 64.65 9.00 -3.03 64.01 8.67 -3.10 3 0 17.78 -999 ? C29 PTY F1230 >ILE.F 139 59.42 4.86 -0.12 57.95 4.83 -0.27 58.69 4.84 -0.19 3 0 21.42 -999 ? C44 PTY B1230 >GLU.F 140 59.79 10.67 4.08 58.34 11.75 5.20 59.07 11.21 4.64 2 0 14.12 -999 ? C44 PTY B1230 >ASN.F 141 63.38 6.63 5.70 63.80 4.90 6.87 63.59 5.77 6.28 2 0 15.64 -999 ? C44 PTY B1230 >LYS.F 142 59.62 6.61 8.65 56.28 10.12 6.97 57.95 8.36 7.81 2 0 13.16 -999 ? C43 PTY B1230 >ASN.F 143 62.60 3.93 10.60 63.27 2.36 11.93 62.94 3.15 11.27 2 0 14.15 -999 ? C44 PTY B1230 >ASN.F 144 62.44 7.41 15.29 61.82 9.22 14.38 62.13 8.32 14.83 2 0 6.96 -999 ? C44 PTY B1230 >VAL.F 145 65.06 3.60 15.95 63.94 2.30 17.32 64.50 2.95 16.63 3 0 12.29 -999 ? C44 PTY B1230 >ASP.F 146 69.82 3.91 15.71 69.99 6.03 15.29 69.91 4.97 15.50 2 0 13.03 -999 ? C29 PTY F1230 >VAL.F 147 69.82 -0.30 14.25 69.95 -0.79 12.08 69.88 -0.55 13.17 3 0 15.43 -999 ? C29 PTY F1230 >SER~F 148 72.78 -1.22 16.49 73.77 -3.32 15.96 73.28 -2.27 16.23 2 0 17.20 -999 ? C29 PTY F1230 >ILE~F 149 76.99 1.22 16.74 77.73 2.42 17.24 77.36 1.82 16.99 3 0 13.41 -999 ? C29 PTY F1230 >LYS~F 150 77.63 -2.83 14.77 80.53 -6.16 19.25 79.08 -4.50 17.01 2 0 17.50 -999 ? N1 PTY A1230 >ARG~F 151 72.09 -6.24 13.38 70.22 -6.64 10.97 71.15 -6.44 12.17 2 0 19.42 -999 ? C29 PTY F1230 >TYR~F 152 75.02 2.45 10.69 75.67 4.64 9.09 75.35 3.54 9.89 3 0 8.20 -999 ? C29 PTY F1230 >ASN~F 153 79.79 -0.16 11.34 79.88 1.67 12.46 79.83 0.75 11.90 2 0 9.89 -999 ? C25 PTY F1230 >ASN~F 154 78.20 -4.89 9.35 77.96 -6.51 8.02 78.08 -5.70 8.68 2 0 15.72 -999 ? C17 PTY F1230 >PHE~F 155 73.57 -1.62 5.74 71.98 -0.62 3.66 72.78 -1.12 4.70 3 0 13.01 -999 ? C29 PTY F1230 >VAL~F 156 77.65 0.61 5.32 77.94 2.65 6.08 77.80 1.63 5.70 3 0 8.60 -999 ? C25 PTY F1230 >ASP~F 157 81.43 -2.56 5.43 82.43 -1.68 7.10 81.93 -2.12 6.27 2 0 9.23 -999 ? C18 PTY F1230 >ILE~F 158 77.39 -4.66 2.86 76.73 -5.94 3.08 77.06 -5.30 2.97 3 0 14.74 -999 ? C17 PTY F1230 >ALA~F 159 76.89 -0.73 0.71 76.03 0.32 1.40 76.46 -0.21 1.05 2 0 11.30 -999 ? C27 PTY F1230 >ARG~F 160 82.68 2.43 2.62 83.26 3.88 5.28 82.97 3.16 3.95 2 0 4.72 -999 ? C25 PTY F1230 >LEU~F 161 81.97 -3.73 -1.25 84.03 -4.05 -0.72 83.00 -3.89 -0.99 3 0 8.09 -999 ? O4 PTY F1230 >SER~F 162 78.19 -3.07 -3.63 77.00 -4.17 -1.88 77.59 -3.62 -2.76 2 0 13.25 -999 ? C1 PTY F1230 >ILE~F 163 77.25 1.71 -4.34 77.13 3.14 -4.25 77.19 2.43 -4.30 3 0 11.47 -999 ? O10 PTY F1230 >GLN~F 164 83.89 0.33 -5.79 85.57 -0.26 -4.61 84.73 0.03 -5.20 2 0 -3.86 -999 ? C6 PTY F1230s >LYS~F 165 80.92 -2.85 -7.91 81.20 -6.71 -10.88 81.06 -4.78 -9.39 2 0 9.11 -999 ? O12 PTY F1230 >HIS~F 166 75.47 -0.46 -9.79 74.01 0.34 -11.08 74.74 -0.06 -10.43 3 0 14.44 -999 ? C3 PTY F1230 >PHE~F 167 80.61 4.20 -9.82 81.85 6.59 -10.63 81.23 5.40 -10.23 3 0 8.69 -999 ? O10 PTY F1230 >GLU~F 168 84.58 0.44 -10.02 85.78 -0.56 -8.56 85.18 -0.06 -9.29 2 0 -3.42 -999 ? O14 PTY F1230s >HIS~F 169 79.22 -3.71 -14.71 78.58 -4.98 -16.25 78.90 -4.35 -15.48 3 0 11.35 -999 ? C3 PTY F1230 >LEU~F 170 78.54 2.70 -14.52 76.78 2.78 -13.24 77.66 2.74 -13.88 3 0 12.66 -999 ? C3 PTY F1230 >SER~F 171 79.99 2.84 -18.75 78.43 4.16 -20.00 79.21 3.50 -19.38 2 0 15.23 -999 ? C3 PTY F1230 >ASN~F 172 83.30 6.25 -19.79 84.70 4.59 -19.92 84.00 5.42 -19.86 2 0 11.93 -999 ? C3 PTY F1230 >ASP~F 173 78.38 8.43 -20.85 77.40 6.58 -21.30 77.89 7.50 -21.07 2 0 16.19 -999 ? C29 PTY C1230 >GLN~F 174 75.25 5.45 -17.42 74.24 3.65 -17.11 74.75 4.55 -17.26 2 0 16.98 -999 ? C3 PTY F1230 >LYS~F 175 80.05 7.17 -14.27 83.30 2.55 -14.93 81.68 4.86 -14.60 2 0 8.31 -999 ? C3 PTY F1230 >ASP~F 176 80.46 11.60 -16.48 82.39 11.16 -17.33 81.43 11.38 -16.90 2 0 15.13 -999 ? O10 PTY F1230 >SER~F 177 76.52 11.45 -14.26 75.25 10.06 -15.72 75.89 10.75 -14.99 2 0 17.20 -999 ? C29 PTY C1230 >HIS~F 178 75.20 6.94 -12.24 73.69 6.23 -13.50 74.44 6.58 -12.87 3 0 16.01 -999 ? O10 PTY F1230 >VAL~F 179 79.17 10.28 -9.09 81.14 11.01 -9.76 80.15 10.65 -9.42 3 0 11.70 -999 ? O10 PTY F1230 >ASN.F 180 77.82 14.46 -7.29 79.94 14.61 -7.13 78.88 14.53 -7.21 2 0 13.36 -999 ? C27 PTY F1230 >ASN~F 181 73.54 10.98 -9.36 71.54 11.06 -10.05 72.54 11.02 -9.71 2 0 17.98 -999 ? C28 PTY F1230 >MET?F 182 71.80 11.83 -4.92 73.76 13.24 -2.51 72.78 12.54 -3.72 2 0 10.67 -999 ? C28 PTY F1230 >GLU~F 183 66.69 9.88 -7.89 65.58 10.66 -9.50 66.13 10.27 -8.70 2 0 20.88 -999 ? C29 PTY F1230 >TYR~F 184 73.31 6.37 -8.45 75.07 4.24 -8.72 74.19 5.31 -8.58 3 0 14.69 -999 ? O10 PTY F1230 >MET?F 185 72.54 6.82 -4.09 76.10 8.73 -4.02 74.32 7.77 -4.05 2 0 10.50 -999 ? C27 PTY F1230 >GLN~F 186 68.91 9.36 -1.62 67.41 10.87 -1.46 68.16 10.12 -1.54 2 0 13.99 -999 ? C29 PTY F1230 >LYS~F 187 67.69 4.41 -4.53 64.91 6.69 -9.71 66.30 5.55 -7.12 2 0 21.76 -999 ? C29 PTY F1230 >PHE~F 188 72.97 1.31 -4.50 74.54 -1.02 -4.69 73.75 0.15 -4.59 3 0 15.12 -999 ? O10 PTY F1230 >VAL~F 189 70.57 2.60 -0.25 71.56 3.83 1.27 71.07 3.22 0.51 3 0 12.11 -999 ? C29 PTY F1230 >GLN~F 190 65.47 4.01 0.46 63.84 5.34 0.09 64.66 4.68 0.27 2 0 17.05 -999 ? C29 PTY F1230 >GLY~F 191 66.97 -1.07 -2.39 67.44 -0.90 -1.73 67.21 -0.98 -2.06 1 0 18.69 -999 ? C29 PTY F1230 >LEU~F 192 71.16 -1.85 -0.20 73.10 -2.77 -0.40 72.13 -2.31 -0.30 3 0 15.82 -999 ? C29 PTY F1230 >GLN~F 193 68.14 0.10 3.91 67.24 1.92 4.47 67.69 1.01 4.19 2 0 14.41 -999 ? C29 PTY F1230 >GLU~F 194 63.32 -4.38 -0.78 62.97 -3.65 -2.79 63.14 -4.01 -1.79 2 0 23.08 -999 ? C29 PTY F1230 >ASN~F 195 68.31 -6.25 -1.21 69.12 -7.91 -2.21 68.71 -7.08 -1.71 2 0 21.34 -999 ? O12 PTY F1230 >ARG~F 196 72.76 -6.06 2.77 73.81 -8.75 3.67 73.29 -7.40 3.22 2 0 19.46 -999 ? O4 PTY F1230 >ASN.F 197 65.64 -8.63 5.62 63.95 -8.81 6.91 64.79 -8.72 6.27 2 0 24.15 -999 ? C29 PTY F1230 >ILE.F 198 69.00 -4.31 7.54 70.28 -3.65 7.65 69.64 -3.98 7.60 3 0 16.94 -999 ? C29 PTY F1230 >SER.F 199 65.60 -1.14 8.26 63.51 -0.07 8.90 64.55 -0.60 8.58 2 0 17.81 -999 ? C44 PTY B1230 >LEU.F 200 68.76 2.42 8.12 70.52 1.21 7.47 69.64 1.81 7.79 3 0 12.49 -999 ? C29 PTY F1230 >SER~F 201 66.55 5.02 10.91 68.36 6.11 12.11 67.45 5.57 11.51 2 0 12.48 -999 ? C29 PTY F1230 >LYS~F 202 66.07 8.11 8.76 62.94 13.20 8.95 64.51 10.66 8.85 2 0 10.27 -999 ? C44 PTY B1230 >TYR~F 203 70.73 10.07 12.33 73.31 10.87 13.12 72.02 10.47 12.73 3 0 9.10 -999 ? C29 PTY F1230 >GLN~F 204 71.46 4.85 11.64 71.08 2.96 12.53 71.27 3.90 12.08 2 0 12.13 -999 ? C29 PTY F1230 >GLU~F 205 68.26 5.95 3.98 66.23 5.69 3.38 67.25 5.82 3.68 2 0 13.76 -999 ? C29 PTY F1230 >ASN~F 206 70.31 11.05 6.17 68.25 11.44 5.71 69.28 11.25 5.94 2 0 10.65 -999 ? C29 PTY F1230 >LYS~F 207 74.26 9.16 7.01 78.14 8.30 11.87 76.20 8.73 9.44 2 0 -5.60 -999 ? C29 PTY F1230s >ALA~F 208 74.78 6.11 4.76 73.84 4.87 4.74 74.31 5.49 4.75 2 0 7.55 -999 ? C29 PTY F1230 >VAL~F 209 73.95 8.05 1.56 72.09 8.92 0.66 73.02 8.48 1.11 3 0 8.20 -999 ? C29 PTY F1230 >MET?F 210 76.49 10.73 2.43 75.15 13.77 1.70 75.82 12.25 2.06 2 0 6.98 -999 ? C28 PTY F1230 >ASP~F 211 78.80 6.89 4.24 80.45 5.56 4.37 79.63 6.22 4.30 2 0 -4.21 -999 ? C25 PTY F1230s >LEU~F 212 77.22 5.64 -0.69 76.70 3.78 0.27 76.96 4.71 -0.21 3 0 8.43 -999 ? C27 PTY F1230 >LYS~F 213 78.74 9.86 -1.87 77.53 16.01 -2.38 78.13 12.93 -2.12 2 0 10.01 -999 ? C28 PTY F1230 >TYR~F 214 83.96 10.83 1.33 86.60 11.66 1.88 85.28 11.24 1.61 3 0 4.89 -999 ? C24 PTY F1230 >HIS~F 215 83.20 4.14 -1.23 84.24 2.39 -1.73 83.72 3.27 -1.48 3 0 5.52 -999 ? C12 PTY F1230 >LEU~F 216 80.65 7.43 -5.31 79.47 5.58 -5.62 80.06 6.51 -5.47 3 0 9.09 -999 ? O10 PTY F1230 >GLN~F 217 82.88 12.49 -4.79 82.36 13.76 -3.16 82.62 13.12 -3.97 2 0 9.47 -999 ? C27 PTY F1230 >LYS~F 218 87.16 8.41 -4.46 87.85 7.47 1.23 87.51 7.94 -1.61 2 0 -3.14 -999 ? C14 PTY F1230s >VAL~F 219 86.20 5.48 -6.64 84.93 3.73 -6.46 85.57 4.61 -6.55 3 0 -3.31 -999 ? O10 PTY F1230s >TYR~F 220 84.46 9.73 -10.85 83.93 11.02 -13.29 84.20 10.37 -12.07 3 0 10.34 -999 ? O10 PTY F1230 >ALA~F 221 89.08 9.71 -8.70 89.56 10.20 -7.36 89.32 9.96 -8.03 2 0 6.78 -999 ? C11 PTY F1230 >ASN~F 222 90.64 5.14 -8.20 91.58 3.35 -8.97 91.11 4.24 -8.58 2 0 -3.83 -999 ? C5 PTY F1230s >TYR~F 223 87.08 5.73 -13.89 86.19 6.19 -16.49 86.64 5.96 -15.19 3 0 9.30 -999 ? C3 PTY F1230 >LEU~F 224 89.47 10.52 -13.16 87.56 11.43 -13.66 88.52 10.98 -13.41 3 0 10.75 -999 ? O10 PTY F1230 >SER~F 225 93.63 8.82 -13.10 93.82 8.26 -10.77 93.73 8.54 -11.94 2 0 8.77 -999 ? O10 PTY F1230 >GLN~F 226 93.41 3.39 -12.66 92.23 1.74 -11.97 92.82 2.56 -12.31 2 0 4.27 -999 ? O11 PTY F1230 >GLU~F 227 90.05 7.87 -17.70 89.71 9.27 -19.30 89.88 8.57 -18.50 2 0 13.99 -999 ? O11 PTY F1230 >GLU~F 228 93.80 11.25 -17.47 94.16 13.09 -16.53 93.98 12.17 -17.00 2 0 15.52 -999 ? O10 PTY F1230