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 bmr6695_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -3.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.76 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 5.23 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 278 GLU -4.02 3.05 0 10 ALA -0.03 0.20 1 12 ALA 0.46 0.60 1 13 THR 0.17 0.29 1 14 ALA 0.13 0.36 1 15 LYS 0.08 0.26 1 16 ALA -0.19 0.17 1 17 LYS 0.25 0.00 1 18 LYS 2.76 -0.36 1 19 GLU -1.59 -0.75 1 20 SER -0.95 -0.78 1 21 LYS -0.06 0.31 1 22 LYS -2.53 -1.22 1 23 GLN 2.94 -0.40 1 24 GLU -2.04 -0.69 1 25 GLU 3.68 1.77 1 27 VAL 1.73 0.14 1 28 VAL -3.07 -2.03 1 29 THR -5.85 -3.62 1 30 ASN 3.20 1.09 1 31 LEU 2.04 2.05 1 32 TYR -2.07 -0.33 1 33 LYS -0.04 0.13 1 35 LYS 2.61 1.23 1 36 GLU -1.67 -0.44 1 38 TYR 2.30 0.41 1 39 VAL 2.02 -1.03 1 41 ARG -4.42 -2.44 1 43 LEU 0.38 0.56 1 44 LEU -4.19 -0.54 1 45 ASN 0.77 1.19 1 46 THR -3.10 -1.29 1 47 LYS 3.79 0.67 1 48 ILE 1.58 0.60 1 49 THR -2.80 -2.57 1 51 ASP 4.38 3.10 1 52 ASP 0.22 -1.28 1 53 ALA 0.82 0.21 1 56 GLU -3.10 -0.91 1 57 THR -0.02 0.11 1 58 TRP -2.63 -1.18 1 59 HIS -4.69 0.57 1 60 MET -5.02 -3.31 1 61 VAL -3.98 -2.49 1 62 PHE -6.35 -5.80 1 63 SER -1.20 -0.57 1 64 THR -2.78 -1.81 1 65 GLU 2.48 1.32 1 67 LYS 2.45 0.51 1 68 ILE -0.84 -1.60 1 70 TYR -2.99 -1.71 1 71 ARG -5.44 -3.30 1 72 GLU 4.57 3.42 1 74 GLN -1.17 1.50 1 75 SER -2.44 -0.09 1 76 ILE -4.73 -1.66 1 78 VAL -4.66 -2.04 1 79 ILE -1.24 -1.83 1 80 ALA 0.50 -1.10 1 81 ASP 0.39 0.44 1 83 VAL -6.67 -4.13 1 84 ASP -2.14 -2.45 1 85 LYS 3.87 2.00 1 86 ASN -0.91 -0.66 1 88 LYS -0.21 -1.62 1 90 HIS 0.38 2.19 1 91 LYS -0.13 -0.80 1 92 VAL 1.55 1.23 1 93 ARG -4.18 -0.27 1 94 LEU -3.37 -2.41 1 95 TYR -5.18 -1.07 1 96 SER 0.81 1.21 1 97 ILE 3.84 2.64 1 98 ALA -1.94 -2.37 1 99 SER -6.62 -4.55 1 100 SER -0.26 -0.50 1 101 ALA 3.60 2.59 1 102 ILE 3.34 1.49 1 104 ASP 3.41 2.00 1 105 PHE -0.37 -1.94 1 107 ASP -2.18 -1.27 1 108 SER 4.22 1.42 1 109 LYS -1.70 -1.46 1 110 THR -4.91 -1.53 1 111 VAL -3.16 -1.77 1 115 VAL -3.45 -0.69 1 116 LYS -2.40 -2.01 1 117 ARG 2.58 1.79 1 118 LEU 1.61 0.71 1 119 ILE -2.84 -0.81 1 120 TYR -3.01 -2.14 1 121 THR -1.38 -1.54 1 122 ASN -1.89 -2.24 1 123 ASP 3.56 2.25 1 124 ALA -0.30 -1.12 1 126 GLU -2.10 -2.16 1 127 ILE 1.65 -0.39 1 128 VAL -0.75 -1.21 1 129 LYS -1.63 -2.05 1 131 VAL 5.10 4.40 1 136 LEU 2.32 1.47 1 138 ASP 0.22 -0.72 1 139 LEU 0.76 1.20 1 140 GLN -2.66 -2.38 1 143 ASP -0.28 0.49 1 144 ASN -2.14 -0.78 1 145 VAL -3.46 -2.45 1 146 GLN -1.01 0.00 1 147 ILE -4.33 -1.51 1 148 THR -2.02 -2.67 1 151 VAL -2.22 -0.23 1 153 LYS -1.80 -0.58 1 154 GLU 2.71 2.71 1 155 MET 0.69 -2.81 1 156 LEU -0.42 -1.09 1 157 MET 3.00 2.07 1 159 LYS 3.02 2.70 1 160 ASP -0.87 -0.49 1 162 ASN -1.46 -1.56 1 163 ALA -0.97 -0.03 1 164 THR 1.64 -0.05 1 165 ILE -1.14 -0.46 1 166 ILE 0.12 -1.03 1 167 MET -2.91 -1.51 1 168 LEU -1.16 -2.25 1 169 ALA -6.40 -2.71 1 170 THR -5.51 -3.33 1 172 THR 3.26 2.62 1 174 ILE -2.76 -3.55 1 175 ALA 7.90 6.78 1 177 PHE 2.37 -1.35 1 178 ARG 7.72 5.49 1 179 SER 4.03 3.75 1 180 PHE 1.27 0.67 1 181 LEU 4.34 2.37 1 183 LYS 5.78 3.24 1 184 MET 1.75 3.94 1 185 PHE -0.67 0.56 1 186 PHE -3.35 -4.06 1 187 GLU -5.34 -2.03 1 188 LYS -0.97 -1.40 1 189 HIS -3.01 -0.49 1 190 ASP 3.40 2.37 1 191 ASP -0.61 -1.67 1 192 TYR 0.82 1.46 1 193 LYS -1.00 -2.25 1 194 PHE 2.36 1.58 1 195 ASN -2.41 -1.52 1 197 LEU -4.12 -1.79 1 199 TRP -5.80 -4.06 1 200 LEU -4.71 -1.90 1 201 PHE -3.50 -1.78 1 202 LEU -4.03 -2.35 1 204 VAL -3.05 -1.03 1 206 THR -6.29 -3.32 1 207 SER 6.90 4.67 1 208 SER 0.24 -0.31 1 209 SER -0.70 -0.80 1 210 LEU 1.93 0.16 1 211 LEU -1.00 -0.92 1 212 TYR 5.22 0.66 1 213 LYS 3.79 3.41 1 214 GLU 4.13 2.31 1 215 GLU 4.19 2.72 1 216 PHE 4.06 0.90 1 218 LYS 3.80 2.36 1 219 MET 5.97 4.39 1 220 LYS 3.53 1.62 1 221 GLU 2.13 1.61 1 222 ARG 1.57 0.88 1 223 ALA -1.36 -0.50 1 225 GLU 0.23 -0.39 1 226 ASN -2.25 0.93 1 227 PHE -5.28 -3.30 1 228 ARG -4.05 -2.09 1 229 VAL -4.24 -4.33 1 230 ASP -6.26 -1.24 1 231 TYR -3.89 -2.66 1 232 ALA -2.91 -1.89 1 233 VAL 0.55 -2.31 1 235 ARG 2.64 1.07 1 236 GLU -3.97 -0.92 1 237 GLN -2.67 -1.65 1 238 THR -5.63 -3.00 1 239 ASN -1.85 -2.58 1 240 ALA 3.67 2.10 1 241 ALA -0.25 -1.09 1 243 GLU -1.01 -1.49 1 244 ARG 1.92 0.67 1 245 MET 0.65 -2.20 1 246 TYR -0.88 0.19 1 247 ILE 6.29 4.75 1 248 GLN 6.43 1.89 1 249 THR 5.51 3.02 1 250 ARG 3.75 0.70 1 251 MET 3.57 3.82 1 252 ALA 3.80 1.80 1 253 GLU 2.88 1.38 1 254 TYR -2.75 -2.09 1 255 LYS 6.28 4.48 1 256 GLU 5.65 3.63 1 257 GLU 2.85 2.69 1 258 LEU 3.33 2.63 1 259 TRP 0.70 1.55 1 260 GLU 3.72 2.30 1 261 LEU 4.12 2.60 1 262 LEU 2.91 1.37 1 263 LYS 1.38 0.31 1 264 LYS -0.96 -1.09 1 265 ASP 1.66 0.94 1 266 ASN -0.28 -1.74 1 267 THR -0.87 -1.13 1 268 TYR -4.72 -1.22 1 269 VAL -0.53 -1.50 1 270 TYR -7.30 -2.42 1 271 MET -5.78 -2.21 1 274 LEU 1.37 -0.69 1 275 LYS 3.73 2.33 1 279 LYS 4.28 2.71 1 281 ILE 5.33 3.72 1 282 ASP 4.94 3.72 1 283 ASP 4.63 3.21 1 284 ILE 2.80 1.11 1 285 MET 5.85 0.38 1 286 VAL 5.45 3.86 1 287 SER 3.32 2.30 1 288 LEU 3.78 1.40 1 289 ALA 3.11 1.78 1 290 GLU 3.40 2.33 1 291 LYS 4.31 2.24 1 292 ASP -2.00 -0.69 1 294 ILE -3.94 -2.07 1 295 ASP -2.15 -1.81 1 296 TRP -0.47 1.12 1 297 PHE 7.36 4.52 1 298 ASP 2.59 2.57 1 299 TYR 3.24 2.67 1 300 LYS 5.96 2.55 1 301 LYS 5.20 3.34 1 302 GLN 5.13 2.92 1 303 LEU 3.20 2.36 1 304 LYS 4.58 3.62 1 305 ARG 4.28 2.64 1 307 ASP 4.64 2.98 1 308 GLN -2.82 1.24 1 309 TRP 0.15 0.20 1 310 ASN -2.94 0.03 1 311 VAL -3.43 -0.87 1 312 GLU -1.47 -0.22 1 313 VAL -6.01 -4.40 1 314 TYR -0.58 -0.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6695_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 3.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -2.67 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 278 GLU -4.02 7.07 0 10 ALA -0.03 0.23 1 12 ALA 0.46 0.14 1 13 THR 0.17 0.12 1 14 ALA 0.13 0.23 1 15 LYS 0.08 0.18 1 16 ALA -0.19 0.36 1 17 LYS 0.25 -0.25 1 18 LYS 2.76 -3.12 1 19 GLU -1.59 0.84 1 20 SER -0.95 0.17 1 21 LYS -0.06 0.37 1 22 LYS -2.53 1.31 1 23 GLN 2.94 -3.34 1 24 GLU -2.04 1.35 1 25 GLU 3.68 -1.91 1 27 VAL 1.73 -1.59 1 28 VAL -3.07 1.04 1 29 THR -5.85 2.23 1 30 ASN 3.20 -2.11 1 31 LEU 2.04 0.01 1 32 TYR -2.07 1.74 1 33 LYS -0.04 0.17 1 35 LYS 2.61 -1.38 1 36 GLU -1.67 1.23 1 38 TYR 2.30 -1.89 1 39 VAL 2.02 -3.05 1 41 ARG -4.42 1.98 1 43 LEU 0.38 0.18 1 44 LEU -4.19 3.65 1 45 ASN 0.77 0.42 1 46 THR -3.10 1.81 1 47 LYS 3.79 -3.12 1 48 ILE 1.58 -0.98 1 49 THR -2.80 0.23 1 51 ASP 4.38 -1.28 1 52 ASP 0.22 -1.50 1 53 ALA 0.82 -0.61 1 56 GLU -3.10 2.19 1 57 THR -0.02 0.13 1 58 TRP -2.63 1.45 1 59 HIS -4.69 5.26 1 60 MET -5.02 1.71 1 61 VAL -3.98 1.49 1 62 PHE -6.35 0.55 1 63 SER -1.20 0.63 1 64 THR -2.78 0.97 1 65 GLU 2.48 -1.16 1 67 LYS 2.45 -1.94 1 68 ILE -0.84 -0.76 1 70 TYR -2.99 1.28 1 71 ARG -5.44 2.14 1 72 GLU 4.57 -1.15 1 74 GLN -1.17 2.67 1 75 SER -2.44 2.35 1 76 ILE -4.73 3.07 1 78 VAL -4.66 2.62 1 79 ILE -1.24 -0.59 1 80 ALA 0.50 -1.60 1 81 ASP 0.39 0.05 1 83 VAL -6.67 2.54 1 84 ASP -2.14 -0.31 1 85 LYS 3.87 -1.87 1 86 ASN -0.91 0.25 1 88 LYS -0.21 -1.41 1 90 HIS 0.38 1.81 1 91 LYS -0.13 -0.67 1 92 VAL 1.55 -0.32 1 93 ARG -4.18 3.91 1 94 LEU -3.37 0.96 1 95 TYR -5.18 4.11 1 96 SER 0.81 0.40 1 97 ILE 3.84 -1.20 1 98 ALA -1.94 -0.43 1 99 SER -6.62 2.07 1 100 SER -0.26 -0.24 1 101 ALA 3.60 -1.01 1 102 ILE 3.34 -1.85 1 104 ASP 3.41 -1.41 1 105 PHE -0.37 -1.57 1 107 ASP -2.18 0.91 1 108 SER 4.22 -2.80 1 109 LYS -1.70 0.24 1 110 THR -4.91 3.38 1 111 VAL -3.16 1.39 1 115 VAL -3.45 2.76 1 116 LYS -2.40 0.39 1 117 ARG 2.58 -0.79 1 118 LEU 1.61 -0.90 1 119 ILE -2.84 2.03 1 120 TYR -3.01 0.87 1 121 THR -1.38 -0.16 1 122 ASN -1.89 -0.35 1 123 ASP 3.56 -1.31 1 124 ALA -0.30 -0.82 1 126 GLU -2.10 -0.06 1 127 ILE 1.65 -2.04 1 128 VAL -0.75 -0.46 1 129 LYS -1.63 -0.42 1 131 VAL 5.10 -0.70 1 136 LEU 2.32 -0.85 1 138 ASP 0.22 -0.94 1 139 LEU 0.76 0.44 1 140 GLN -2.66 0.28 1 143 ASP -0.28 0.77 1 144 ASN -2.14 1.36 1 145 VAL -3.46 1.01 1 146 GLN -1.01 1.01 1 147 ILE -4.33 2.82 1 148 THR -2.02 -0.65 1 151 VAL -2.22 1.99 1 153 LYS -1.80 1.22 1 154 GLU 2.71 0.00 1 155 MET 0.69 -3.50 1 156 LEU -0.42 -0.67 1 157 MET 3.00 -0.93 1 159 LYS 3.02 -0.32 1 160 ASP -0.87 0.38 1 162 ASN -1.46 -0.10 1 163 ALA -0.97 0.94 1 164 THR 1.64 -1.69 1 165 ILE -1.14 0.68 1 166 ILE 0.12 -1.15 1 167 MET -2.91 1.40 1 168 LEU -1.16 -1.09 1 169 ALA -6.40 3.69 1 170 THR -5.51 2.18 1 172 THR 3.26 -0.64 1 174 ILE -2.76 -0.79 1 175 ALA 7.90 -1.12 1 177 PHE 2.37 -3.72 1 178 ARG 7.72 -2.23 1 179 SER 4.03 -0.28 1 180 PHE 1.27 -0.60 1 181 LEU 4.34 -1.97 1 183 LYS 5.78 -2.54 1 184 MET 1.75 2.19 1 185 PHE -0.67 1.23 1 186 PHE -3.35 -0.71 1 187 GLU -5.34 3.31 1 188 LYS -0.97 -0.43 1 189 HIS -3.01 2.52 1 190 ASP 3.40 -1.03 1 191 ASP -0.61 -1.06 1 192 TYR 0.82 0.64 1 193 LYS -1.00 -1.25 1 194 PHE 2.36 -0.78 1 195 ASN -2.41 0.89 1 197 LEU -4.12 2.33 1 199 TRP -5.80 1.74 1 200 LEU -4.71 2.81 1 201 PHE -3.50 1.72 1 202 LEU -4.03 1.68 1 204 VAL -3.05 2.02 1 206 THR -6.29 2.97 1 207 SER 6.90 -2.23 1 208 SER 0.24 -0.55 1 209 SER -0.70 -0.10 1 210 LEU 1.93 -1.77 1 211 LEU -1.00 0.08 1 212 TYR 5.22 -4.56 1 213 LYS 3.79 -0.38 1 214 GLU 4.13 -1.82 1 215 GLU 4.19 -1.47 1 216 PHE 4.06 -3.16 1 218 LYS 3.80 -1.44 1 219 MET 5.97 -1.58 1 220 LYS 3.53 -1.91 1 221 GLU 2.13 -0.52 1 222 ARG 1.57 -0.69 1 223 ALA -1.36 0.86 1 225 GLU 0.23 -0.62 1 226 ASN -2.25 3.18 1 227 PHE -5.28 1.98 1 228 ARG -4.05 1.96 1 229 VAL -4.24 -0.09 1 230 ASP -6.26 5.02 1 231 TYR -3.89 1.23 1 232 ALA -2.91 1.02 1 233 VAL 0.55 -2.86 1 235 ARG 2.64 -1.57 1 236 GLU -3.97 3.05 1 237 GLN -2.67 1.02 1 238 THR -5.63 2.63 1 239 ASN -1.85 -0.73 1 240 ALA 3.67 -1.57 1 241 ALA -0.25 -0.84 1 243 GLU -1.01 -0.48 1 244 ARG 1.92 -1.25 1 245 MET 0.65 -2.85 1 246 TYR -0.88 1.07 1 247 ILE 6.29 -1.54 1 248 GLN 6.43 -4.54 1 249 THR 5.51 -2.49 1 250 ARG 3.75 -3.05 1 251 MET 3.57 0.25 1 252 ALA 3.80 -2.00 1 253 GLU 2.88 -1.50 1 254 TYR -2.75 0.66 1 255 LYS 6.28 -1.80 1 256 GLU 5.65 -2.02 1 257 GLU 2.85 -0.16 1 258 LEU 3.33 -0.70 1 259 TRP 0.70 0.85 1 260 GLU 3.72 -1.42 1 261 LEU 4.12 -1.52 1 262 LEU 2.91 -1.54 1 263 LYS 1.38 -1.07 1 264 LYS -0.96 -0.13 1 265 ASP 1.66 -0.72 1 266 ASN -0.28 -1.46 1 267 THR -0.87 -0.26 1 268 TYR -4.72 3.50 1 269 VAL -0.53 -0.97 1 270 TYR -7.30 4.88 1 271 MET -5.78 3.57 1 274 LEU 1.37 -2.06 1 275 LYS 3.73 -1.40 1 279 LYS 4.28 -1.57 1 281 ILE 5.33 -1.61 1 282 ASP 4.94 -1.22 1 283 ASP 4.63 -1.42 1 284 ILE 2.80 -1.69 1 285 MET 5.85 -5.47 1 286 VAL 5.45 -1.59 1 287 SER 3.32 -1.02 1 288 LEU 3.78 -2.38 1 289 ALA 3.11 -1.33 1 290 GLU 3.40 -1.07 1 291 LYS 4.31 -2.07 1 292 ASP -2.00 1.31 1 294 ILE -3.94 1.87 1 295 ASP -2.15 0.34 1 296 TRP -0.47 1.59 1 297 PHE 7.36 -2.84 1 298 ASP 2.59 -0.02 1 299 TYR 3.24 -0.57 1 300 LYS 5.96 -3.41 1 301 LYS 5.20 -1.86 1 302 GLN 5.13 -2.21 1 303 LEU 3.20 -0.84 1 304 LYS 4.58 -0.96 1 305 ARG 4.28 -1.64 1 307 ASP 4.64 -1.66 1 308 GLN -2.82 4.06 1 309 TRP 0.15 0.05 1 310 ASN -2.94 2.97 1 311 VAL -3.43 2.56 1 312 GLU -1.47 1.25 1 313 VAL -6.01 1.61 1 314 TYR -0.58 0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6695_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 2.36 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 175 ALA 7.90 -1.87 0 17 LYS 0.25 -0.04 1 18 LYS 2.76 -0.50 1 19 GLU -1.59 -0.54 1 20 SER -0.95 1.47 1 21 LYS -0.06 1.27 1 22 LYS -2.53 -0.01 1 23 GLN 2.94 -1.41 1 24 GLU -2.04 0.78 1 25 GLU 3.68 1.44 1 27 VAL 1.73 -1.37 1 28 VAL -3.07 -1.23 1 29 THR -5.85 -0.36 1 30 ASN 3.20 -1.80 1 31 LEU 2.04 -0.38 1 32 TYR -2.07 0.21 1 33 LYS -0.04 0.03 1 35 LYS 2.61 0.33 1 36 GLU -1.67 -3.04 1 38 TYR 2.30 -1.58 1 39 VAL 2.02 -0.85 1 41 ARG -4.42 -0.16 1 43 LEU 0.38 -1.38 1 44 LEU -4.19 -3.07 1 45 ASN 0.77 -0.27 1 46 THR -3.10 -3.55 1 47 LYS 3.79 1.14 1 48 ILE 1.58 -0.47 1 49 THR -2.80 1.16 1 51 ASP 4.38 -1.94 1 52 ASP 0.22 -0.53 1 53 ALA 0.82 0.96 1 56 GLU -3.10 -0.66 1 57 THR -0.02 -2.93 1 58 TRP -2.63 -2.37 1 59 HIS -4.69 -0.27 1 60 MET -5.02 -3.08 1 61 VAL -3.98 -0.68 1 62 PHE -6.35 0.35 1 63 SER -1.20 0.21 1 64 THR -2.78 1.03 1 65 GLU 2.48 -0.66 1 67 LYS 2.45 -1.08 1 68 ILE -0.84 -1.74 1 70 TYR -2.99 -2.62 1 71 ARG -5.44 -2.32 1 72 GLU 4.57 0.16 1 74 GLN -1.17 -1.00 1 75 SER -2.44 -0.81 1 76 ILE -4.73 -2.45 1 78 VAL -4.66 0.08 1 79 ILE -1.24 -2.09 1 80 ALA 0.50 -2.48 1 81 ASP 0.39 -0.09 1 83 VAL -6.67 -1.28 1 84 ASP -2.14 2.23 1 85 LYS 3.87 0.34 1 86 ASN -0.91 0.29 1 88 LYS -0.21 -1.65 1 90 HIS 0.38 1.61 1 91 LYS -0.13 1.43 1 92 VAL 1.55 -0.18 1 93 ARG -4.18 -1.65 1 94 LEU -3.37 -2.74 1 95 TYR -5.18 -1.78 1 96 SER 0.81 -1.91 1 97 ILE 3.84 -0.73 1 98 ALA -1.94 -2.34 1 99 SER -6.62 1.37 1 100 SER -0.26 1.13 1 101 ALA 3.60 2.05 1 102 ILE 3.34 2.43 1 104 ASP 3.41 1.19 1 105 PHE -0.37 1.38 1 107 ASP -2.18 -0.04 1 108 SER 4.22 0.91 1 109 LYS -1.70 0.61 1 110 THR -4.91 -2.83 1 111 VAL -3.16 -4.61 1 115 VAL -3.45 -1.86 1 116 LYS -2.40 0.26 1 117 ARG 2.58 -1.08 1 118 LEU 1.61 -2.14 1 119 ILE -2.84 -1.94 1 120 TYR -3.01 -3.85 1 121 THR -1.38 0.60 1 122 ASN -1.89 2.16 1 123 ASP 3.56 0.29 1 124 ALA -0.30 -0.02 1 126 GLU -2.10 -1.37 1 127 ILE 1.65 -0.56 1 128 VAL -0.75 -2.62 1 129 LYS -1.63 1.27 1 131 VAL 5.10 1.71 1 136 LEU 2.32 0.37 1 138 ASP 0.22 0.32 1 139 LEU 0.76 -0.37 1 140 GLN -2.66 -0.56 1 143 ASP -0.28 -0.61 1 144 ASN -2.14 -0.39 1 145 VAL -3.46 -3.37 1 146 GLN -1.01 -1.68 1 147 ILE -4.33 -1.58 1 148 THR -2.02 -0.90 1 151 VAL -2.22 -0.71 1 153 LYS -1.80 -3.30 1 154 GLU 2.71 1.69 1 155 MET 0.69 -2.60 1 156 LEU -0.42 0.00 1 157 MET 3.00 -1.68 1 159 LYS 3.02 0.36 1 160 ASP -0.87 1.37 1 162 ASN -1.46 -0.73 1 163 ALA -0.97 -1.05 1 164 THR 1.64 -0.50 1 165 ILE -1.14 -1.96 1 166 ILE 0.12 -2.20 1 167 MET -2.91 -3.89 1 168 LEU -1.16 -3.89 1 169 ALA -6.40 -0.46 1 170 THR -5.51 0.73 1 172 THR 3.26 1.54 1 174 ILE -2.76 0.05 1 177 PHE 2.37 1.86 1 178 ARG 7.72 0.86 1 179 SER 4.03 1.85 1 180 PHE 1.27 2.85 1 181 LEU 4.34 2.60 1 183 LYS 5.78 1.37 1 184 MET 1.75 2.19 1 185 PHE -0.67 0.88 1 186 PHE -3.35 0.39 1 187 GLU -5.34 -1.42 1 188 LYS -0.97 -1.45 1 189 HIS -3.01 1.35 1 190 ASP 3.40 0.18 1 191 ASP -0.61 -0.65 1 192 TYR 0.82 -4.21 1 193 LYS -1.00 -2.46 1 194 PHE 2.36 0.14 1 195 ASN -2.41 -1.00 1 197 LEU -4.12 -2.67 1 199 TRP -5.80 -3.02 1 200 LEU -4.71 -4.44 1 201 PHE -3.50 -2.00 1 202 LEU -4.03 -2.57 1 204 VAL -3.05 1.29 1 206 THR -6.29 1.32 1 207 SER 6.90 2.74 1 208 SER 0.24 -0.55 1 209 SER -0.70 -1.36 1 210 LEU 1.93 -2.41 1 211 LEU -1.00 -3.44 1 212 TYR 5.22 0.41 1 213 LYS 3.79 2.69 1 214 GLU 4.13 3.65 1 215 GLU 4.19 2.45 1 216 PHE 4.06 3.72 1 218 LYS 3.80 3.18 1 219 MET 5.97 0.67 1 220 LYS 3.53 0.90 1 221 GLU 2.13 1.97 1 222 ARG 1.57 0.33 1 223 ALA -1.36 -1.75 1 225 GLU 0.23 0.56 1 226 ASN -2.25 -2.92 1 227 PHE -5.28 -3.15 1 228 ARG -4.05 -4.59 1 229 VAL -4.24 -3.89 1 230 ASP -6.26 -2.65 1 231 TYR -3.89 -0.13 1 232 ALA -2.91 -3.05 1 233 VAL 0.55 1.98 1 235 ARG 2.64 0.60 1 236 GLU -3.97 -1.15 1 237 GLN -2.67 -0.35 1 238 THR -5.63 0.08 1 239 ASN -1.85 2.25 1 240 ALA 3.67 0.53 1 241 ALA -0.25 -0.09 1 243 GLU -1.01 -0.12 1 244 ARG 1.92 0.16 1 245 MET 0.65 -2.11 1 246 TYR -0.88 2.34 1 247 ILE 6.29 -0.06 1 248 GLN 6.43 -0.59 1 249 THR 5.51 2.06 1 250 ARG 3.75 2.37 1 251 MET 3.57 2.11 1 252 ALA 3.80 1.86 1 253 GLU 2.88 0.37 1 254 TYR -2.75 1.66 1 255 LYS 6.28 -0.29 1 256 GLU 5.65 2.64 1 257 GLU 2.85 3.09 1 258 LEU 3.33 0.68 1 259 TRP 0.70 1.16 1 260 GLU 3.72 4.19 1 261 LEU 4.12 3.31 1 262 LEU 2.91 -1.05 1 263 LYS 1.38 0.30 1 264 LYS -0.96 1.05 1 265 ASP 1.66 -0.76 1 266 ASN -0.28 -1.28 1 267 THR -0.87 -2.17 1 268 TYR -4.72 -2.38 1 269 VAL -0.53 -1.36 1 270 TYR -7.30 -2.37 1 271 MET -5.78 -2.76 1 274 LEU 1.37 1.10 1 275 LYS 3.73 0.52 1 278 GLU -4.02 -4.89 1 279 LYS 4.28 1.52 1 281 ILE 5.33 0.84 1 282 ASP 4.94 1.22 1 283 ASP 4.63 3.17 1 284 ILE 2.80 1.34 1 285 MET 5.85 2.22 1 286 VAL 5.45 2.20 1 287 SER 3.32 1.76 1 288 LEU 3.78 0.32 1 289 ALA 3.11 2.38 1 290 GLU 3.40 3.66 1 291 LYS 4.31 0.80 1 292 ASP -2.00 0.07 1 294 ILE -3.94 -1.96 1 295 ASP -2.15 0.40 1 296 TRP -0.47 -1.32 1 297 PHE 7.36 3.00 1 298 ASP 2.59 1.81 1 299 TYR 3.24 1.55 1 300 LYS 5.96 1.39 1 301 LYS 5.20 2.57 1 302 GLN 5.13 3.46 1 303 LEU 3.20 2.42 1 304 LYS 4.58 4.38 1 305 ARG 4.28 0.89 1 307 ASP 4.64 -0.74 1 308 GLN -2.82 -1.59 1 309 TRP 0.15 -2.56 1 310 ASN -2.94 -2.39 1 311 VAL -3.43 -1.31 1 312 GLU -1.47 -3.55 1 313 VAL -6.01 0.19 1 314 TYR -0.58 3.43 1 stop_ save_