data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.06 _LACS_plot.Line_1_terminator_val_y_1 -4.20 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.10 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 4.85 _LACS_plot.Y_axis_chem_shift_offset 0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 260 ILE 0.48 -4.01 0 262 HIS -3.84 1.63 0 14 LEU 0.69 -0.44 1 15 VAL 0.29 -0.53 1 17 ARG 1.01 -0.06 1 23 SER 0.14 -0.39 1 24 ALA 0.84 -0.05 1 25 ASP 0.51 -0.04 1 26 SER 0.63 -0.10 1 27 TYR 0.88 -0.11 1 28 THR 0.17 -0.43 1 29 SER 0.13 -0.42 1 30 ARG 0.36 -0.45 1 32 SER 0.57 -0.18 1 33 ASP 0.86 0.18 1 34 SER 0.58 -0.05 1 35 ASP 0.74 0.04 1 36 VAL 1.00 -0.19 1 37 SER 0.70 -0.07 1 38 LEU 1.35 0.13 1 39 GLU 1.17 0.37 1 40 GLU 1.01 0.41 1 41 ASP 0.98 0.16 1 42 ARG 3.55 2.08 1 43 GLU 2.32 1.23 1 44 ALA 3.33 1.67 1 45 ILE 3.57 1.93 1 46 ARG 4.77 2.82 1 47 GLN 4.28 2.59 1 48 GLU 3.40 2.16 1 49 ARG 4.69 2.68 1 51 GLN 3.35 3.14 1 52 GLN 4.21 2.46 1 53 ALA 3.59 2.41 1 54 ALA 4.38 2.44 1 55 ILE 4.73 2.90 1 56 GLN 5.73 3.04 1 58 GLU 3.73 2.14 1 59 ARG 3.78 2.22 1 60 ALA 2.21 0.97 1 61 LYS 5.38 3.98 1 63 LYS 1.90 0.73 1 65 VAL 4.41 2.11 1 66 ALA 2.11 1.60 1 67 PHE -0.36 -2.05 1 68 ALA -8.06 -3.12 1 69 VAL -7.09 -4.86 1 70 LYS -4.76 -2.97 1 71 THR -0.99 -1.42 1 72 ASN -1.57 -0.64 1 73 VAL -5.98 -3.97 1 74 SER -3.45 -2.28 1 75 TYR -2.59 -0.53 1 76 SER -2.29 -3.74 1 78 ALA 3.08 1.72 1 79 LEU 0.06 -1.83 1 80 ASP 0.15 -0.09 1 81 GLU 0.63 0.03 1 82 ASP -0.23 -0.54 1 83 VAL -2.49 -3.73 1 85 VAL -1.97 -1.68 1 87 SER 4.22 1.62 1 88 THR 0.07 -0.25 1 89 ALA 0.13 -0.48 1 90 ILE 0.22 -1.39 1 91 SER -0.60 0.05 1 92 PHE -2.23 -2.00 1 93 ASP -4.50 -2.39 1 94 ALA 2.75 0.84 1 95 LYS 3.80 1.97 1 96 ASP -1.46 -0.20 1 97 PHE -2.27 -1.60 1 98 LEU -3.47 -2.69 1 99 HIS -7.28 -2.48 1 100 ILE 1.99 -2.70 1 101 LYS -0.47 -0.32 1 102 GLU -4.35 -1.93 1 103 LYS 1.88 -0.14 1 104 TYR 2.05 1.99 1 105 ASN 1.24 -0.97 1 107 ASP -1.88 1.28 1 108 TRP -5.46 -1.15 1 109 TRP -6.99 -4.74 1 110 ILE -1.91 -0.99 1 112 ARG -5.78 -2.59 1 113 LEU -1.08 -0.48 1 114 VAL 5.86 0.84 1 115 LYS -2.48 -0.71 1 116 GLU 3.44 2.01 1 118 SER 0.87 0.15 1 119 GLU -3.54 -2.15 1 120 ILE 0.35 -1.36 1 122 PHE -0.18 0.85 1 123 ILE -6.18 -1.83 1 125 SER 0.51 -1.21 1 127 LEU 3.33 2.09 1 128 ARG 5.70 2.85 1 129 LEU 4.62 2.32 1 130 GLU 3.44 1.66 1 131 ASN 4.45 2.64 1 132 ILE 5.11 3.68 1 133 ARG 5.23 3.12 1 134 ILE 4.66 3.06 1 135 GLN 4.32 2.53 1 136 GLN 3.91 2.12 1 137 GLU 2.42 1.50 1 138 GLN 2.99 1.34 1 139 LYS 2.25 0.79 1 140 ARG 1.65 0.50 1 144 ALA 0.72 0.05 1 145 LYS 1.37 0.06 1 146 GLN 0.67 -0.15 1 147 LYS 1.17 -0.03 1 148 GLN 0.26 -0.34 1 149 LYS 0.81 -0.20 1 150 VAL 1.01 -0.18 1 151 THR 0.00 -0.48 1 152 GLU -0.84 -0.96 1 153 HIS -0.08 0.65 1 154 ILE -0.43 -1.14 1 157 TYR -7.39 -5.29 1 158 ASP -3.29 -1.56 1 159 VAL 3.95 1.59 1 160 VAL -0.98 -1.77 1 162 SER 4.49 3.29 1 163 MET -3.25 -3.69 1 164 ARG -0.46 -0.24 1 166 VAL 0.38 -0.73 1 167 VAL -3.36 -1.51 1 168 LEU 0.04 -1.44 1 169 VAL -3.81 -2.75 1 172 SER -1.45 -4.21 1 173 LEU -2.23 -1.06 1 174 LYS 1.76 1.01 1 176 TYR -2.54 -1.59 1 178 VAL 7.42 4.81 1 179 THR 6.61 5.06 1 180 ASP 6.09 3.47 1 181 MET 4.59 3.11 1 182 MET 5.58 3.99 1 184 LYS 5.19 3.21 1 185 ALA 3.90 2.16 1 186 LEU 4.78 2.89 1 187 PHE 4.54 1.81 1 189 PHE 3.81 2.86 1 190 LEU 3.67 2.39 1 191 LYS 4.41 2.87 1 192 HIS 3.08 2.78 1 193 ARG 1.67 0.10 1 194 PHE 0.96 -1.31 1 195 ASP 2.60 2.60 1 197 ARG -0.81 -0.69 1 198 ILE -6.26 -2.48 1 199 SER -1.70 -1.06 1 200 ILE 0.50 -1.31 1 201 THR -3.95 -3.39 1 202 ARG 0.10 -0.95 1 203 VAL -1.70 -1.37 1 204 THR 1.37 0.02 1 205 ALA -2.18 -1.68 1 206 ASP 1.34 -1.92 1 207 ILE 4.39 2.21 1 208 SER 3.33 2.31 1 209 LEU 1.29 -0.34 1 210 ALA 0.34 -1.08 1 211 LYS -0.69 -1.03 1 212 ARG 2.90 1.66 1 213 SER 1.23 0.31 1 214 VAL 1.27 0.07 1 220 LYS 1.78 0.17 1 221 ARG 1.67 0.51 1 222 ALA 1.12 0.12 1 223 ILE 1.69 0.35 1 224 ILE 1.57 0.13 1 225 GLU 0.65 -0.08 1 226 ARG 1.44 0.14 1 229 THR 0.50 -0.07 1 230 ARG 1.81 0.48 1 231 SER 0.24 -0.11 1 232 SER 1.25 0.51 1 233 LEU 3.35 1.34 1 234 ALA 4.06 2.24 1 235 GLU 2.97 1.90 1 236 VAL 5.70 4.21 1 237 GLN 5.23 2.91 1 238 SER 4.95 3.04 1 239 GLU 1.68 1.01 1 240 ILE 6.35 2.60 1 241 GLU 4.58 2.76 1 242 ARG 2.77 3.42 1 243 ILE 6.25 4.16 1 244 PHE 6.03 4.88 1 245 GLU 3.86 2.29 1 246 LEU 2.55 1.99 1 247 ALA -0.60 -0.20 1 248 ARG 4.47 2.96 1 249 SER 1.03 -0.06 1 250 LEU 5.81 0.77 1 251 GLN -0.69 -1.49 1 252 LEU 0.68 0.52 1 253 VAL -2.02 -1.17 1 254 VAL -2.28 -2.38 1 255 LEU -2.30 -3.22 1 256 ASP -0.13 -2.08 1 257 ALA -0.86 -2.31 1 258 ASP 3.06 2.94 1 259 THR 0.63 -0.28 1 261 ASN -3.14 -0.12 1 264 ALA 3.69 1.94 1 265 GLN 0.16 1.89 1 268 LYS 0.74 -0.43 1 269 THR -2.32 -0.17 1 270 SER 0.60 0.17 1 271 LEU -0.14 0.50 1 272 ALA 1.57 1.22 1 274 ILE 0.92 0.27 1 275 ILE 1.01 -1.01 1 276 VAL -2.85 -2.98 1 277 HIS -4.63 -3.35 1 278 VAL 4.42 -0.14 1 280 VAL 3.27 1.46 1 281 SER 1.46 0.51 1 282 SER -0.68 0.03 1 284 LYS 4.70 2.56 1 285 VAL 5.63 3.46 1 286 LEU 5.40 2.73 1 287 GLN 5.45 3.65 1 288 ARG 5.07 3.08 1 289 LEU 3.56 2.26 1 290 ILE 5.71 4.08 1 291 LYS 5.13 3.04 1 292 SER 3.26 2.05 1 293 ARG 1.08 -2.09 1 299 LYS 4.34 1.90 1 300 HIS -1.93 -0.66 1 302 ASN 6.16 4.42 1 303 VAL 5.16 2.66 1 304 GLN 1.01 2.85 1 305 LEU 5.84 2.92 1 306 VAL 5.47 3.69 1 307 ALA 3.24 2.38 1 308 ALA 2.97 2.26 1 312 ALA 3.29 1.46 1 313 GLN 0.54 -0.46 1 317 GLU 3.96 1.22 1 318 MET 2.76 1.78 1 319 PHE -2.58 -2.25 1 320 ASP 0.34 2.31 1 321 VAL -3.21 -2.08 1 322 ILE -0.25 -0.59 1 323 LEU 0.58 -3.32 1 324 ASP -1.68 -2.83 1 325 GLU 3.91 1.91 1 326 ASN 2.42 1.84 1 327 GLN -1.32 -2.01 1 328 LEU 3.57 2.16 1 329 GLU 5.68 3.58 1 330 ASP 4.03 2.06 1 331 ALA 4.06 2.25 1 333 GLU 3.79 2.05 1 334 HIS 2.10 1.15 1 335 LEU 4.83 2.37 1 337 GLU 3.93 2.54 1 339 LEU 4.03 1.79 1 340 GLU 2.63 1.73 1 342 TYR 4.24 2.54 1 344 ARG 4.76 3.59 1 345 ALA 3.34 1.94 1 347 HIS -0.58 0.88 1 352 THR 0.72 1.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.06 _LACS_plot.Line_1_terminator_val_y_1 3.86 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.10 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 -2.57 _LACS_plot.Y_axis_chem_shift_offset 0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 260 ILE 0.48 -4.49 0 262 HIS -3.84 5.47 0 14 LEU 0.69 -1.13 1 15 VAL 0.29 -0.82 1 17 ARG 1.01 -1.07 1 23 SER 0.14 -0.53 1 24 ALA 0.84 -0.89 1 25 ASP 0.51 -0.55 1 26 SER 0.63 -0.73 1 27 TYR 0.88 -0.99 1 28 THR 0.17 -0.60 1 29 SER 0.13 -0.55 1 30 ARG 0.36 -0.81 1 32 SER 0.57 -0.75 1 33 ASP 0.86 -0.68 1 34 SER 0.58 -0.63 1 35 ASP 0.74 -0.70 1 36 VAL 1.00 -1.19 1 37 SER 0.70 -0.77 1 38 LEU 1.35 -1.22 1 39 GLU 1.17 -0.80 1 40 GLU 1.01 -0.60 1 41 ASP 0.98 -0.82 1 42 ARG 3.55 -1.47 1 43 GLU 2.32 -1.09 1 44 ALA 3.33 -1.66 1 45 ILE 3.57 -1.64 1 46 ARG 4.77 -1.95 1 47 GLN 4.28 -1.69 1 48 GLU 3.40 -1.24 1 49 ARG 4.69 -2.01 1 51 GLN 3.35 -0.21 1 52 GLN 4.21 -1.75 1 53 ALA 3.59 -1.18 1 54 ALA 4.38 -1.94 1 55 ILE 4.73 -1.83 1 56 GLN 5.73 -2.69 1 58 GLU 3.73 -1.59 1 59 ARG 3.78 -1.56 1 60 ALA 2.21 -1.24 1 61 LYS 5.38 -1.40 1 63 LYS 1.90 -1.17 1 65 VAL 4.41 -2.30 1 66 ALA 2.11 -0.51 1 67 PHE -0.36 -1.69 1 68 ALA -8.06 4.94 1 69 VAL -7.09 2.23 1 70 LYS -4.76 1.79 1 71 THR -0.99 -0.43 1 72 ASN -1.57 0.93 1 73 VAL -5.98 2.01 1 74 SER -3.45 1.17 1 75 TYR -2.59 2.06 1 76 SER -2.29 -1.45 1 78 ALA 3.08 -1.36 1 79 LEU 0.06 -1.89 1 80 ASP 0.15 -0.24 1 81 GLU 0.63 -0.60 1 82 ASP -0.23 -0.31 1 83 VAL -2.49 -1.24 1 85 VAL -1.97 0.29 1 87 SER 4.22 -2.60 1 88 THR 0.07 -0.32 1 89 ALA 0.13 -0.61 1 90 ILE 0.22 -1.61 1 91 SER -0.60 0.65 1 92 PHE -2.23 0.23 1 93 ASP -4.50 2.11 1 94 ALA 2.75 -1.91 1 95 LYS 3.80 -1.83 1 96 ASP -1.46 1.26 1 97 PHE -2.27 0.67 1 98 LEU -3.47 0.78 1 99 HIS -7.28 4.80 1 100 ILE 1.99 -4.69 1 101 LYS -0.47 0.15 1 102 GLU -4.35 2.42 1 103 LYS 1.88 -2.02 1 104 TYR 2.05 -0.06 1 105 ASN 1.24 -2.21 1 107 ASP -1.88 3.16 1 108 TRP -5.46 4.31 1 109 TRP -6.99 2.25 1 110 ILE -1.91 0.92 1 112 ARG -5.78 3.19 1 113 LEU -1.08 0.60 1 114 VAL 5.86 -5.02 1 115 LYS -2.48 1.77 1 116 GLU 3.44 -1.43 1 118 SER 0.87 -0.72 1 119 GLU -3.54 1.39 1 120 ILE 0.35 -1.71 1 122 PHE -0.18 1.03 1 123 ILE -6.18 4.35 1 125 SER 0.51 -1.72 1 127 LEU 3.33 -1.24 1 128 ARG 5.70 -2.85 1 129 LEU 4.62 -2.30 1 130 GLU 3.44 -1.78 1 131 ASN 4.45 -1.81 1 132 ILE 5.11 -1.43 1 133 ARG 5.23 -2.11 1 134 ILE 4.66 -1.60 1 135 GLN 4.32 -1.79 1 136 GLN 3.91 -1.79 1 137 GLU 2.42 -0.92 1 138 GLN 2.99 -1.65 1 139 LYS 2.25 -1.46 1 140 ARG 1.65 -1.15 1 144 ALA 0.72 -0.67 1 145 LYS 1.37 -1.31 1 146 GLN 0.67 -0.82 1 147 LYS 1.17 -1.20 1 148 GLN 0.26 -0.60 1 149 LYS 0.81 -1.01 1 150 VAL 1.01 -1.19 1 151 THR 0.00 -0.48 1 152 GLU -0.84 -0.12 1 153 HIS -0.08 0.73 1 154 ILE -0.43 -0.71 1 157 TYR -7.39 2.10 1 158 ASP -3.29 1.73 1 159 VAL 3.95 -2.36 1 160 VAL -0.98 -0.79 1 162 SER 4.49 -1.20 1 163 MET -3.25 -0.44 1 164 ARG -0.46 0.22 1 166 VAL 0.38 -1.11 1 167 VAL -3.36 1.85 1 168 LEU 0.04 -1.48 1 169 VAL -3.81 1.06 1 172 SER -1.45 -2.76 1 173 LEU -2.23 1.17 1 174 LYS 1.76 -0.75 1 176 TYR -2.54 0.95 1 178 VAL 7.42 -2.61 1 179 THR 6.61 -1.55 1 180 ASP 6.09 -2.62 1 181 MET 4.59 -1.48 1 182 MET 5.58 -1.59 1 184 LYS 5.19 -1.98 1 185 ALA 3.90 -1.74 1 186 LEU 4.78 -1.89 1 187 PHE 4.54 -2.73 1 189 PHE 3.81 -0.95 1 190 LEU 3.67 -1.28 1 191 LYS 4.41 -1.54 1 192 HIS 3.08 -0.30 1 193 ARG 1.67 -1.57 1 194 PHE 0.96 -2.27 1 195 ASP 2.60 0.00 1 197 ARG -0.81 0.12 1 198 ILE -6.26 3.78 1 199 SER -1.70 0.64 1 200 ILE 0.50 -1.81 1 201 THR -3.95 0.56 1 202 ARG 0.10 -1.05 1 203 VAL -1.70 0.33 1 204 THR 1.37 -1.35 1 205 ALA -2.18 0.50 1 206 ASP 1.34 -3.26 1 207 ILE 4.39 -2.18 1 208 SER 3.33 -1.02 1 209 LEU 1.29 -1.63 1 210 ALA 0.34 -1.42 1 211 LYS -0.69 -0.34 1 212 ARG 2.90 -1.24 1 213 SER 1.23 -0.92 1 214 VAL 1.27 -1.20 1 220 LYS 1.78 -1.61 1 221 ARG 1.67 -1.16 1 222 ALA 1.12 -1.00 1 223 ILE 1.69 -1.34 1 224 ILE 1.57 -1.44 1 225 GLU 0.65 -0.73 1 226 ARG 1.44 -1.30 1 229 THR 0.50 -0.57 1 230 ARG 1.81 -1.33 1 231 SER 0.24 -0.35 1 232 SER 1.25 -0.74 1 233 LEU 3.35 -2.01 1 234 ALA 4.06 -1.82 1 235 GLU 2.97 -1.07 1 236 VAL 5.70 -1.49 1 237 GLN 5.23 -2.32 1 238 SER 4.95 -1.91 1 239 GLU 1.68 -0.67 1 240 ILE 6.35 -3.75 1 241 GLU 4.58 -1.82 1 242 ARG 2.77 0.65 1 243 ILE 6.25 -2.09 1 244 PHE 6.03 -1.15 1 245 GLU 3.86 -1.57 1 246 LEU 2.55 -0.56 1 247 ALA -0.60 0.40 1 248 ARG 4.47 -1.51 1 249 SER 1.03 -1.09 1 250 LEU 5.81 -5.04 1 251 GLN -0.69 -0.80 1 252 LEU 0.68 -0.16 1 253 VAL -2.02 0.85 1 254 VAL -2.28 -0.10 1 255 LEU -2.30 -0.92 1 256 ASP -0.13 -1.95 1 257 ALA -0.86 -1.45 1 258 ASP 3.06 -0.12 1 259 THR 0.63 -0.91 1 261 ASN -3.14 3.02 1 264 ALA 3.69 -1.75 1 265 GLN 0.16 1.73 1 268 LYS 0.74 -1.17 1 269 THR -2.32 2.15 1 270 SER 0.60 -0.43 1 271 LEU -0.14 0.64 1 272 ALA 1.57 -0.35 1 274 ILE 0.92 -0.65 1 275 ILE 1.01 -2.02 1 276 VAL -2.85 -0.13 1 277 HIS -4.63 1.28 1 278 VAL 4.42 -4.56 1 280 VAL 3.27 -1.81 1 281 SER 1.46 -0.95 1 282 SER -0.68 0.71 1 284 LYS 4.70 -2.14 1 285 VAL 5.63 -2.17 1 286 LEU 5.40 -2.67 1 287 GLN 5.45 -1.80 1 288 ARG 5.07 -1.99 1 289 LEU 3.56 -1.30 1 290 ILE 5.71 -1.63 1 291 LYS 5.13 -2.09 1 292 SER 3.26 -1.21 1 293 ARG 1.08 -3.17 1 299 LYS 4.34 -2.44 1 300 HIS -1.93 1.27 1 302 ASN 6.16 -1.74 1 303 VAL 5.16 -2.50 1 304 GLN 1.01 1.84 1 305 LEU 5.84 -2.92 1 306 VAL 5.47 -1.78 1 307 ALA 3.24 -0.86 1 308 ALA 2.97 -0.71 1 312 ALA 3.29 -1.83 1 313 GLN 0.54 -1.00 1 317 GLU 3.96 -2.74 1 318 MET 2.76 -0.98 1 319 PHE -2.58 0.33 1 320 ASP 0.34 1.97 1 321 VAL -3.21 1.13 1 322 ILE -0.25 -0.34 1 323 LEU 0.58 -3.90 1 324 ASP -1.68 -1.15 1 325 GLU 3.91 -2.00 1 326 ASN 2.42 -0.58 1 327 GLN -1.32 -0.69 1 328 LEU 3.57 -1.41 1 329 GLU 5.68 -2.10 1 330 ASP 4.03 -1.97 1 331 ALA 4.06 -1.81 1 333 GLU 3.79 -1.74 1 334 HIS 2.10 -0.95 1 335 LEU 4.83 -2.46 1 337 GLU 3.93 -1.39 1 339 LEU 4.03 -2.24 1 340 GLU 2.63 -0.90 1 342 TYR 4.24 -1.70 1 344 ARG 4.76 -1.17 1 345 ALA 3.34 -1.40 1 347 HIS -0.58 1.46 1 352 THR 0.72 0.37 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.06 _LACS_plot.Line_1_terminator_val_y_1 -3.65 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 3.20 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 PHE -0.36 -5.90 0 278 VAL 4.42 -4.64 0 14 LEU 0.69 -0.49 1 15 VAL 0.29 -0.50 1 17 ARG 1.01 0.72 1 23 SER 0.14 0.09 1 24 ALA 0.84 -0.15 1 25 ASP 0.51 0.02 1 26 SER 0.63 -0.28 1 27 TYR 0.88 0.09 1 28 THR 0.17 -0.54 1 29 SER 0.13 1.74 1 30 ARG 0.36 -0.16 1 32 SER 0.57 0.07 1 33 ASP 0.86 0.07 1 34 SER 0.58 -0.30 1 35 ASP 0.74 0.14 1 36 VAL 1.00 0.10 1 37 SER 0.70 0.22 1 38 LEU 1.35 0.34 1 39 GLU 1.17 0.67 1 40 GLU 1.01 0.40 1 41 ASP 0.98 0.63 1 42 ARG 3.55 2.22 1 43 GLU 2.32 1.30 1 44 ALA 3.33 2.68 1 45 ILE 3.57 1.61 1 46 ARG 4.77 2.49 1 47 GLN 4.28 2.29 1 48 GLU 3.40 2.10 1 49 ARG 4.69 2.79 1 51 GLN 3.35 2.63 1 52 GLN 4.21 2.89 1 53 ALA 3.59 1.10 1 54 ALA 4.38 3.53 1 55 ILE 4.73 1.90 1 56 GLN 5.73 3.25 1 58 GLU 3.73 4.22 1 59 ARG 3.78 2.26 1 60 ALA 2.21 1.77 1 61 LYS 5.38 1.04 1 63 LYS 1.90 -0.68 1 65 VAL 4.41 -0.29 1 66 ALA 2.11 -0.08 1 68 ALA -8.06 -1.82 1 69 VAL -7.09 -2.51 1 70 LYS -4.76 0.09 1 71 THR -0.99 1.17 1 72 ASN -1.57 -0.69 1 73 VAL -5.98 -3.63 1 74 SER -3.45 -1.45 1 75 TYR -2.59 -2.33 1 76 SER -2.29 -0.16 1 78 ALA 3.08 0.73 1 79 LEU 0.06 -0.97 1 80 ASP 0.15 0.61 1 81 GLU 0.63 -0.03 1 82 ASP -0.23 -1.31 1 83 VAL -2.49 -1.16 1 85 VAL -1.97 -1.28 1 87 SER 4.22 1.08 1 88 THR 0.07 0.89 1 89 ALA 0.13 0.70 1 90 ILE 0.22 -2.03 1 91 SER -0.60 -1.20 1 92 PHE -2.23 -1.74 1 93 ASP -4.50 -0.07 1 94 ALA 2.75 0.13 1 95 LYS 3.80 -1.69 1 96 ASP -1.46 -2.11 1 97 PHE -2.27 -1.08 1 98 LEU -3.47 -1.23 1 99 HIS -7.28 0.46 1 100 ILE 1.99 -0.66 1 101 LYS -0.47 -1.14 1 102 GLU -4.35 -3.06 1 103 LYS 1.88 -1.44 1 104 TYR 2.05 -0.86 1 105 ASN 1.24 0.13 1 108 TRP -5.46 -1.39 1 109 TRP -6.99 -1.44 1 110 ILE -1.91 0.29 1 112 ARG -5.78 -2.30 1 113 LEU -1.08 -0.19 1 114 VAL 5.86 -2.34 1 115 LYS -2.48 -1.43 1 116 GLU 3.44 0.87 1 118 SER 0.87 -0.39 1 119 GLU -3.54 -0.66 1 120 ILE 0.35 -0.93 1 122 PHE -0.18 -1.13 1 123 ILE -6.18 -2.36 1 125 SER 0.51 2.20 1 127 LEU 3.33 0.53 1 128 ARG 5.70 2.72 1 129 LEU 4.62 2.44 1 130 GLU 3.44 1.34 1 131 ASN 4.45 3.39 1 132 ILE 5.11 1.48 1 133 ARG 5.23 2.87 1 134 ILE 4.66 2.43 1 135 GLN 4.32 2.97 1 136 GLN 3.91 2.70 1 137 GLU 2.42 2.07 1 138 GLN 2.99 1.66 1 139 LYS 2.25 0.83 1 140 ARG 1.65 0.98 1 144 ALA 0.72 0.23 1 145 LYS 1.37 0.28 1 146 GLN 0.67 0.10 1 147 LYS 1.17 0.00 1 148 GLN 0.26 -0.21 1 149 LYS 0.81 -0.07 1 150 VAL 1.01 0.06 1 151 THR 0.00 -0.55 1 152 GLU -0.84 -1.09 1 153 HIS -0.08 0.45 1 154 ILE -0.43 -1.56 1 157 TYR -7.39 -0.51 1 158 ASP -3.29 -0.93 1 159 VAL 3.95 -0.16 1 160 VAL -0.98 -2.61 1 162 SER 4.49 1.90 1 163 MET -3.25 -1.68 1 164 ARG -0.46 -0.47 1 166 VAL 0.38 -1.38 1 167 VAL -3.36 -2.62 1 168 LEU 0.04 -1.05 1 169 VAL -3.81 -2.00 1 172 SER -1.45 -1.02 1 173 LEU -2.23 -0.23 1 174 LYS 1.76 0.78 1 176 TYR -2.54 0.00 1 178 VAL 7.42 1.61 1 179 THR 6.61 0.92 1 180 ASP 6.09 3.32 1 181 MET 4.59 3.00 1 182 MET 5.58 1.64 1 184 LYS 5.19 1.42 1 185 ALA 3.90 3.67 1 186 LEU 4.78 1.54 1 187 PHE 4.54 2.59 1 189 PHE 3.81 1.69 1 190 LEU 3.67 0.86 1 191 LYS 4.41 0.76 1 192 HIS 3.08 3.33 1 193 ARG 1.67 0.15 1 194 PHE 0.96 -2.51 1 195 ASP 2.60 1.04 1 197 ARG -0.81 -2.84 1 198 ILE -6.26 -3.57 1 199 SER -1.70 -2.05 1 200 ILE 0.50 -0.56 1 201 THR -3.95 -3.30 1 202 ARG 0.10 -0.54 1 203 VAL -1.70 -0.13 1 204 THR 1.37 0.04 1 205 ALA -2.18 -1.12 1 206 ASP 1.34 0.27 1 207 ILE 4.39 -0.84 1 208 SER 3.33 0.87 1 209 LEU 1.29 0.07 1 210 ALA 0.34 -1.59 1 211 LYS -0.69 0.60 1 212 ARG 2.90 0.79 1 213 SER 1.23 0.26 1 214 VAL 1.27 -0.04 1 220 LYS 1.78 0.35 1 221 ARG 1.67 0.05 1 222 ALA 1.12 0.32 1 223 ILE 1.69 0.53 1 224 ILE 1.57 0.36 1 225 GLU 0.65 0.12 1 226 ARG 1.44 0.29 1 229 THR 0.50 0.13 1 230 ARG 1.81 0.62 1 232 SER 1.25 1.19 1 233 LEU 3.35 0.99 1 234 ALA 4.06 2.66 1 235 GLU 2.97 2.45 1 236 VAL 5.70 1.09 1 237 GLN 5.23 2.46 1 238 SER 4.95 3.97 1 239 GLU 1.68 1.93 1 240 ILE 6.35 2.42 1 241 GLU 4.58 2.57 1 242 ARG 2.77 2.53 1 243 ILE 6.25 1.58 1 244 PHE 6.03 3.95 1 245 GLU 3.86 2.86 1 246 LEU 2.55 1.13 1 247 ALA -0.60 0.79 1 248 ARG 4.47 1.41 1 249 SER 1.03 0.11 1 250 LEU 5.81 -2.65 1 251 GLN -0.69 -0.78 1 252 LEU 0.68 -1.13 1 253 VAL -2.02 -1.63 1 254 VAL -2.28 -2.60 1 255 LEU -2.30 -2.10 1 256 ASP -0.13 -1.45 1 257 ALA -0.86 -0.87 1 258 ASP 3.06 0.28 1 259 THR 0.63 0.26 1 260 ILE 0.48 -1.78 1 261 ASN -3.14 -1.86 1 264 ALA 3.69 1.93 1 265 GLN 0.16 0.46 1 268 LYS 0.74 0.15 1 269 THR -2.32 1.05 1 270 SER 0.60 -1.41 1 271 LEU -0.14 -3.86 1 272 ALA 1.57 -2.36 1 274 ILE 0.92 -2.29 1 275 ILE 1.01 -0.62 1 276 VAL -2.85 -1.74 1 277 HIS -4.63 -0.39 1 280 VAL 3.27 1.23 1 281 SER 1.46 0.37 1 282 SER -0.68 3.34 1 284 LYS 4.70 2.95 1 285 VAL 5.63 1.61 1 286 LEU 5.40 0.30 1 287 GLN 5.45 1.04 1 288 ARG 5.07 3.28 1 289 LEU 3.56 2.72 1 290 ILE 5.71 2.05 1 291 LYS 5.13 3.18 1 292 SER 3.26 1.74 1 293 ARG 1.08 0.60 1 299 LYS 4.34 0.15 1 300 HIS -1.93 2.83 1 302 ASN 6.16 2.64 1 303 VAL 5.16 2.81 1 304 GLN 1.01 4.21 1 305 LEU 5.84 2.44 1 306 VAL 5.47 2.30 1 307 ALA 3.24 2.95 1 308 ALA 2.97 2.71 1 312 ALA 3.29 1.01 1 313 GLN 0.54 0.83 1 317 GLU 3.96 0.75 1 318 MET 2.76 -1.47 1 319 PHE -2.58 -1.43 1 320 ASP 0.34 -0.43 1 321 VAL -3.21 -3.45 1 322 ILE -0.25 -2.01 1 323 LEU 0.58 -3.01 1 324 ASP -1.68 -0.02 1 325 GLU 3.91 0.66 1 326 ASN 2.42 0.40 1 327 GLN -1.32 0.62 1 328 LEU 3.57 1.47 1 329 GLU 5.68 2.18 1 330 ASP 4.03 2.46 1 331 ALA 4.06 1.84 1 333 GLU 3.79 2.30 1 334 HIS 2.10 3.39 1 335 LEU 4.83 1.10 1 337 GLU 3.93 3.34 1 339 LEU 4.03 1.44 1 340 GLU 2.63 2.76 1 342 TYR 4.24 3.34 1 344 ARG 4.76 2.21 1 347 HIS -0.58 -0.85 1 352 THR 0.72 4.56 1 stop_ save_