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 bmr11012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.59 _LACS_plot.Line_1_terminator_val_y_1 -4.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.90 _LACS_plot.Line_2_terminator_val_x_2 6.04 _LACS_plot.Line_2_terminator_val_y_2 4.11 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 172 ILE 1.40 -3.37 0 77 MET -9.59 -1.89 0 96 HIS 6.05 7.08 0 11 SER -0.44 -0.58 1 13 ALA 0.27 -0.28 1 14 ILE -0.78 -1.06 1 16 SER 0.34 -0.08 1 17 ASN -0.38 -1.38 1 18 THR -1.18 -0.79 1 19 ASP 0.64 1.02 1 20 TYR -4.52 -2.41 1 24 HIS 2.05 -0.44 1 25 SER 3.35 0.32 1 26 PHE -1.60 -0.81 1 27 ASP -4.91 -1.38 1 28 VAL -4.40 -3.23 1 29 SER -3.51 -1.92 1 30 PHE -3.01 -1.63 1 31 GLN 0.23 -0.07 1 32 GLN 0.54 0.27 1 35 THR 0.68 -0.70 1 36 ALA 0.21 -0.18 1 38 SER -0.28 -1.05 1 39 ALA 0.66 0.03 1 40 THR 1.58 0.88 1 41 TRP -3.95 -2.47 1 42 THR 1.15 -0.49 1 43 TYR -4.70 -1.68 1 44 SER -3.02 -2.99 1 45 THR 4.38 2.60 1 46 GLU 2.55 2.34 1 47 LEU -0.87 -1.24 1 48 LYS 4.08 0.60 1 49 LYS -7.07 -1.72 1 50 LEU -3.85 -1.56 1 51 TYR -4.06 -3.00 1 53 GLN -2.81 -0.88 1 54 ILE 1.52 0.11 1 55 ALA 2.38 1.75 1 56 LYS -3.03 -2.36 1 57 THR 4.26 3.45 1 60 ILE -1.15 -0.72 1 61 GLN -0.89 -1.77 1 62 ILE -3.21 -2.22 1 63 LYS -5.55 -1.96 1 64 VAL -5.48 -3.47 1 65 MET -0.43 -0.13 1 66 THR -2.18 -2.36 1 70 GLN 2.69 1.31 1 72 ALA 0.27 -0.49 1 73 VAL -6.58 -3.43 1 74 ILE -3.27 -3.08 1 75 ARG -4.10 -2.24 1 76 ALA -3.75 -2.10 1 79 VAL -5.78 -2.37 1 80 TYR 4.30 3.30 1 81 LYS -0.49 1.87 1 82 LYS 1.82 0.15 1 83 ALA 3.47 2.46 1 84 GLU 3.23 1.44 1 85 HIS -4.56 -0.59 1 86 VAL 4.36 3.47 1 87 THR 2.94 1.56 1 88 GLU -0.91 -0.84 1 89 VAL 2.49 1.61 1 90 VAL 3.31 0.71 1 91 LYS -3.26 -1.34 1 92 ARG -0.96 0.56 1 95 ASN 3.77 2.98 1 97 GLU 2.90 2.70 1 98 LEU 0.34 -0.44 1 99 SER -0.23 -0.65 1 101 GLU -5.46 -4.33 1 103 ASN -1.18 -0.18 1 104 GLU 0.83 0.67 1 106 GLN -1.09 -1.79 1 107 ILE 0.32 0.21 1 108 ALA 0.06 -0.63 1 114 ILE 0.06 -0.35 1 116 VAL -2.58 -1.95 1 117 GLU -3.76 -2.64 1 119 ASN -1.74 -0.73 1 120 SER 2.83 1.47 1 121 HIS 0.05 -0.15 1 122 ALA 0.49 -0.27 1 123 GLN -3.75 -1.70 1 124 TYR 1.32 0.54 1 125 VAL -4.04 -1.85 1 126 GLU -5.21 -2.73 1 127 ASP -2.33 -0.33 1 129 ILE 2.93 1.14 1 130 THR -0.83 0.06 1 132 ARG 2.91 1.88 1 133 GLN -1.61 -1.81 1 134 SER -2.65 -0.42 1 135 VAL -5.02 -4.67 1 136 LEU -5.94 -2.12 1 137 VAL -3.50 -2.37 1 139 TYR 3.04 2.01 1 140 GLU -4.43 -2.33 1 143 GLN 0.32 -0.27 1 144 VAL 3.53 1.92 1 146 THR -2.88 -1.78 1 147 GLU -1.38 -0.29 1 148 PHE -4.65 -2.05 1 149 THR 0.82 1.04 1 150 THR 0.51 0.38 1 151 VAL -1.64 -0.80 1 152 LEU -1.61 -2.43 1 153 TYR -4.73 -1.59 1 154 ASN -7.20 -2.01 1 155 PHE -1.92 -0.82 1 156 MET 2.95 -1.00 1 158 ASN -0.88 0.52 1 160 SER 0.36 -0.31 1 162 VAL 3.34 1.83 1 165 MET 2.63 3.84 1 166 ASN 3.44 1.21 1 167 ARG 5.58 1.74 1 168 ARG -0.42 -0.03 1 170 ILE -6.22 -2.16 1 171 LEU -5.20 -2.97 1 173 ILE -0.07 -1.09 1 174 VAL -1.77 -2.12 1 175 THR -4.42 -4.26 1 176 LEU -2.68 -3.06 1 177 GLU -7.56 -3.55 1 178 THR -2.37 -0.90 1 179 ARG 3.67 2.27 1 180 ASP -0.40 -1.44 1 182 GLN 0.88 -0.52 1 183 VAL 4.00 2.41 1 184 LEU -2.72 -0.89 1 186 ARG -4.11 -0.22 1 187 ARG -6.84 -2.83 1 189 PHE -2.75 -2.17 1 190 GLU -1.14 -0.98 1 191 ALA -4.86 -2.58 1 192 ARG -3.19 -1.52 1 193 ILE -0.09 -1.67 1 195 ALA 2.09 2.24 1 199 ARG 3.51 2.47 1 200 ASP 4.55 2.88 1 201 ARG 5.39 2.89 1 202 LYS 3.77 2.47 1 203 ALA 3.61 2.16 1 204 ASP 3.91 2.40 1 205 GLU 3.95 2.59 1 206 ASP 3.55 2.47 1 207 SER 3.35 2.45 1 208 ILE 2.67 1.47 1 209 ARG 2.30 1.32 1 210 LYS 1.56 0.84 1 211 GLN 0.98 0.40 1 212 GLN 0.74 0.22 1 213 VAL 0.69 0.12 1 214 SER 0.27 -0.08 1 215 ASP 0.43 0.13 1 216 SER 1.15 0.54 1 217 THR 1.25 0.61 1 218 LYS 0.77 0.00 1 219 ASN 0.30 -0.11 1 221 ASP 0.41 0.21 1 222 ALA 0.95 0.32 1 223 PHE 0.38 -0.15 1 224 ARG 0.33 -0.20 1 225 GLN 0.41 0.00 1 226 ASN 0.47 -0.12 1 227 THR 0.50 -0.04 1 228 HIS -2.68 0.93 1 230 ILE -0.05 -0.41 1 231 GLN -0.11 -0.42 1 232 MET -0.03 -0.22 1 233 THR 0.40 0.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.59 _LACS_plot.Line_1_terminator_val_y_1 5.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.50 _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 6.04 _LACS_plot.Line_2_terminator_val_y_2 -1.93 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 172 ILE 1.40 -4.77 0 77 MET -9.59 7.70 0 96 HIS 6.05 1.03 0 11 SER -0.44 -0.14 1 13 ALA 0.27 -0.55 1 14 ILE -0.78 -0.28 1 16 SER 0.34 -0.42 1 17 ASN -0.38 -1.00 1 18 THR -1.18 0.39 1 19 ASP 0.64 0.38 1 20 TYR -4.52 2.11 1 24 HIS 2.05 -2.49 1 25 SER 3.35 -3.03 1 26 PHE -1.60 0.79 1 27 ASP -4.91 3.53 1 28 VAL -4.40 1.17 1 29 SER -3.51 1.59 1 30 PHE -3.01 1.38 1 31 GLN 0.23 -0.30 1 32 GLN 0.54 -0.27 1 35 THR 0.68 -1.38 1 36 ALA 0.21 -0.39 1 38 SER -0.28 -0.77 1 39 ALA 0.66 -0.63 1 40 THR 1.58 -0.70 1 41 TRP -3.95 1.48 1 42 THR 1.15 -1.64 1 43 TYR -4.70 3.02 1 44 SER -3.02 0.03 1 45 THR 4.38 -1.78 1 46 GLU 2.55 -0.21 1 47 LEU -0.87 -0.37 1 48 LYS 4.08 -3.48 1 49 LYS -7.07 5.35 1 50 LEU -3.85 2.29 1 51 TYR -4.06 1.06 1 53 GLN -2.81 1.93 1 54 ILE 1.52 -1.41 1 55 ALA 2.38 -0.63 1 56 LYS -3.03 0.67 1 57 THR 4.26 -0.81 1 60 ILE -1.15 0.43 1 61 GLN -0.89 -0.88 1 62 ILE -3.21 0.99 1 63 LYS -5.55 3.59 1 64 VAL -5.48 2.01 1 65 MET -0.43 0.30 1 66 THR -2.18 -0.18 1 70 GLN 2.69 -1.38 1 72 ALA 0.27 -0.76 1 73 VAL -6.58 3.15 1 74 ILE -3.27 0.19 1 75 ARG -4.10 1.86 1 76 ALA -3.75 1.65 1 79 VAL -5.78 3.41 1 80 TYR 4.30 -1.00 1 81 LYS -0.49 2.36 1 82 LYS 1.82 -1.67 1 83 ALA 3.47 -1.01 1 84 GLU 3.23 -1.79 1 85 HIS -4.56 3.97 1 86 VAL 4.36 -0.89 1 87 THR 2.94 -1.38 1 88 GLU -0.91 0.07 1 89 VAL 2.49 -0.88 1 90 VAL 3.31 -2.60 1 91 LYS -3.26 1.92 1 92 ARG -0.96 1.52 1 95 ASN 3.77 -0.79 1 97 GLU 2.90 -0.20 1 98 LEU 0.34 -0.78 1 99 SER -0.23 -0.42 1 101 GLU -5.46 1.13 1 103 ASN -1.18 1.00 1 104 GLU 0.83 -0.16 1 106 GLN -1.09 -0.70 1 107 ILE 0.32 -0.11 1 108 ALA 0.06 -0.69 1 114 ILE 0.06 -0.41 1 116 VAL -2.58 0.63 1 117 GLU -3.76 1.12 1 119 ASN -1.74 1.01 1 120 SER 2.83 -1.36 1 121 HIS 0.05 -0.20 1 122 ALA 0.49 -0.76 1 123 GLN -3.75 2.05 1 124 TYR 1.32 -0.78 1 125 VAL -4.04 2.19 1 126 GLU -5.21 2.48 1 127 ASP -2.33 2.00 1 129 ILE 2.93 -1.79 1 130 THR -0.83 0.89 1 132 ARG 2.91 -1.03 1 133 GLN -1.61 -0.20 1 134 SER -2.65 2.23 1 135 VAL -5.02 0.35 1 136 LEU -5.94 3.82 1 137 VAL -3.50 1.13 1 139 TYR 3.04 -1.03 1 140 GLU -4.43 2.10 1 143 GLN 0.32 -0.59 1 144 VAL 3.53 -1.61 1 146 THR -2.88 1.10 1 147 GLU -1.38 1.09 1 148 PHE -4.65 2.60 1 149 THR 0.82 0.22 1 150 THR 0.51 -0.13 1 151 VAL -1.64 0.84 1 152 LEU -1.61 -0.82 1 153 TYR -4.73 3.14 1 154 ASN -7.20 5.19 1 155 PHE -1.92 1.10 1 156 MET 2.95 -3.95 1 158 ASN -0.88 1.40 1 160 SER 0.36 -0.67 1 162 VAL 3.34 -1.51 1 165 MET 2.63 1.21 1 166 ASN 3.44 -2.23 1 167 ARG 5.58 -3.84 1 168 ARG -0.42 0.39 1 170 ILE -6.22 4.06 1 171 LEU -5.20 2.23 1 173 ILE -0.07 -1.02 1 174 VAL -1.77 -0.35 1 175 THR -4.42 0.16 1 176 LEU -2.68 -0.38 1 177 GLU -7.56 4.01 1 178 THR -2.37 1.47 1 179 ARG 3.67 -1.40 1 180 ASP -0.40 -1.04 1 182 GLN 0.88 -1.40 1 183 VAL 4.00 -1.59 1 184 LEU -2.72 1.83 1 186 ARG -4.11 3.89 1 187 ARG -6.84 4.01 1 189 PHE -2.75 0.58 1 190 GLU -1.14 0.16 1 191 ALA -4.86 2.28 1 192 ARG -3.19 1.67 1 193 ILE -0.09 -1.58 1 195 ALA 2.09 0.15 1 199 ARG 3.51 -1.04 1 200 ASP 4.55 -1.67 1 201 ARG 5.39 -2.50 1 202 LYS 3.77 -1.30 1 203 ALA 3.61 -1.45 1 204 ASP 3.91 -1.51 1 205 GLU 3.95 -1.36 1 206 ASP 3.55 -1.08 1 207 SER 3.35 -0.90 1 208 ILE 2.67 -1.20 1 209 ARG 2.30 -0.98 1 210 LYS 1.56 -0.72 1 211 GLN 0.98 -0.58 1 212 GLN 0.74 -0.52 1 213 VAL 0.69 -0.57 1 214 SER 0.27 -0.35 1 215 ASP 0.43 -0.30 1 216 SER 1.15 -0.61 1 217 THR 1.25 -0.64 1 218 LYS 0.77 -0.77 1 219 ASN 0.30 -0.41 1 221 ASP 0.41 -0.20 1 222 ALA 0.95 -0.63 1 223 PHE 0.38 -0.53 1 224 ARG 0.33 -0.53 1 225 GLN 0.41 -0.41 1 226 ASN 0.47 -0.59 1 227 THR 0.50 -0.54 1 228 HIS -2.68 3.61 1 230 ILE -0.05 -0.36 1 231 GLN -0.11 -0.31 1 232 MET -0.03 -0.19 1 233 THR 0.40 0.58 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.59 _LACS_plot.Line_1_terminator_val_y_1 1.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.04 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 MET -9.59 0.34 0 108 ALA 0.06 -1.36 0 11 SER -0.44 -0.02 1 13 ALA 0.27 -0.05 1 14 ILE -0.78 -0.05 1 16 SER 0.34 -0.14 1 17 ASN -0.38 0.12 1 18 THR -1.18 0.02 1 19 ASP 0.64 0.08 1 20 TYR -4.52 0.50 1 24 HIS 2.05 -0.02 1 25 SER 3.35 -0.99 1 26 PHE -1.60 0.41 1 27 ASP -4.91 0.03 1 28 VAL -4.40 0.79 1 29 SER -3.51 -0.14 1 30 PHE -3.01 -0.03 1 31 GLN 0.23 -0.03 1 32 GLN 0.54 0.14 1 35 THR 0.68 -0.01 1 36 ALA 0.21 0.01 1 38 SER -0.28 -0.04 1 39 ALA 0.66 0.03 1 40 THR 1.58 -0.07 1 41 TRP -3.95 0.87 1 42 THR 1.15 -0.17 1 43 TYR -4.70 0.88 1 44 SER -3.02 0.09 1 45 THR 4.38 -0.27 1 46 GLU 2.55 -0.27 1 47 LEU -0.87 -0.01 1 48 LYS 4.08 -0.34 1 49 LYS -7.07 0.73 1 50 LEU -3.85 0.40 1 51 TYR -4.06 1.13 1 53 GLN -2.81 0.86 1 54 ILE 1.52 -0.23 1 55 ALA 2.38 -0.78 1 56 LYS -3.03 0.43 1 57 THR 4.26 -0.84 1 60 ILE -1.15 -0.45 1 61 GLN -0.89 0.45 1 62 ILE -3.21 0.58 1 63 LYS -5.55 0.80 1 64 VAL -5.48 0.80 1 65 MET -0.43 0.21 1 66 THR -2.18 0.21 1 70 GLN 2.69 -0.19 1 72 ALA 0.27 0.34 1 73 VAL -6.58 0.94 1 74 ILE -3.27 1.17 1 75 ARG -4.10 0.94 1 76 ALA -3.75 1.08 1 79 VAL -5.78 0.33 1 80 TYR 4.30 0.13 1 81 LYS -0.49 -0.42 1 82 LYS 1.82 -0.03 1 83 ALA 3.47 -0.29 1 84 GLU 3.23 -0.26 1 85 HIS -4.56 0.36 1 86 VAL 4.36 0.01 1 87 THR 2.94 -0.28 1 88 GLU -0.91 0.12 1 89 VAL 2.49 -0.35 1 90 VAL 3.31 -0.41 1 91 LYS -3.26 0.55 1 92 ARG -0.96 0.22 1 95 ASN 3.77 -0.39 1 96 HIS 6.05 -0.24 1 97 GLU 2.90 -0.25 1 98 LEU 0.34 -0.03 1 99 SER -0.23 -0.04 1 103 ASN -1.18 0.35 1 104 GLU 0.83 0.02 1 106 GLN -1.09 0.23 1 107 ILE 0.32 0.01 1 114 ILE 0.06 0.24 1 116 VAL -2.58 0.60 1 117 GLU -3.76 0.15 1 119 ASN -1.74 0.19 1 120 SER 2.83 -0.14 1 121 HIS 0.05 0.06 1 122 ALA 0.49 0.39 1 123 GLN -3.75 0.39 1 124 TYR 1.32 0.27 1 125 VAL -4.04 0.64 1 126 GLU -5.21 0.72 1 127 ASP -2.33 -0.09 1 129 ILE 2.93 -0.03 1 130 THR -0.83 0.01 1 132 ARG 2.91 -0.34 1 133 GLN -1.61 1.04 1 134 SER -2.65 0.58 1 135 VAL -5.02 1.33 1 136 LEU -5.94 1.29 1 137 VAL -3.50 0.32 1 139 TYR 3.04 -0.59 1 140 GLU -4.43 -0.14 1 143 GLN 0.32 -0.14 1 144 VAL 3.53 -0.26 1 146 THR -2.88 0.47 1 147 GLU -1.38 -0.03 1 148 PHE -4.65 0.70 1 149 THR 0.82 0.00 1 150 THR 0.51 0.79 1 151 VAL -1.64 -0.31 1 152 LEU -1.61 0.17 1 153 TYR -4.73 0.86 1 154 ASN -7.20 -0.01 1 155 PHE -1.92 0.43 1 156 MET 2.95 0.02 1 158 ASN -0.88 0.05 1 160 SER 0.36 -0.25 1 162 VAL 3.34 -0.20 1 165 MET 2.63 0.61 1 166 ASN 3.44 -0.64 1 167 ARG 5.58 -0.76 1 168 ARG -0.42 0.00 1 170 ILE -6.22 1.03 1 171 LEU -5.20 0.54 1 172 ILE 1.40 -0.01 1 173 ILE -0.07 0.22 1 174 VAL -1.77 1.47 1 175 THR -4.42 1.06 1 176 LEU -2.68 0.60 1 177 GLU -7.56 1.32 1 178 THR -2.37 0.13 1 179 ARG 3.67 -0.32 1 180 ASP -0.40 0.12 1 182 GLN 0.88 0.02 1 183 VAL 4.00 -0.16 1 184 LEU -2.72 0.44 1 186 ARG -4.11 1.30 1 187 ARG -6.84 0.78 1 189 PHE -2.75 0.50 1 190 GLU -1.14 0.66 1 191 ALA -4.86 1.26 1 192 ARG -3.19 0.04 1 193 ILE -0.09 1.40 1 195 ALA 2.09 0.05 1 199 ARG 3.51 -0.29 1 200 ASP 4.55 -0.30 1 201 ARG 5.39 -0.93 1 202 LYS 3.77 -0.32 1 203 ALA 3.61 -0.12 1 204 ASP 3.91 -0.19 1 205 GLU 3.95 -0.41 1 206 ASP 3.55 -0.14 1 207 SER 3.35 -0.15 1 208 ILE 2.67 -0.06 1 209 ARG 2.30 -0.08 1 210 LYS 1.56 -0.05 1 211 GLN 0.98 -0.05 1 212 GLN 0.74 0.04 1 213 VAL 0.69 0.09 1 214 SER 0.27 0.03 1 215 ASP 0.43 0.00 1 216 SER 1.15 0.03 1 217 THR 1.25 0.02 1 218 LYS 0.77 0.05 1 219 ASN 0.30 0.04 1 221 ASP 0.41 -0.02 1 222 ALA 0.95 -0.09 1 223 PHE 0.38 0.02 1 224 ARG 0.33 -0.03 1 225 GLN 0.41 -0.02 1 226 ASN 0.47 0.07 1 227 THR 0.50 -0.03 1 228 HIS -2.68 -0.30 1 230 ILE -0.05 0.05 1 231 GLN -0.11 0.08 1 232 MET -0.03 0.14 1 233 THR 0.40 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.56 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.75 _LACS_plot.Line_2_terminator_val_x_2 6.04 _LACS_plot.Line_2_terminator_val_y_2 1.83 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 233 THR 0.40 4.51 0 42 THR 1.15 -4.40 0 85 HIS -4.56 3.12 0 11 SER -0.44 -0.26 1 13 ALA 0.27 -0.25 1 14 ILE -0.78 -0.68 1 16 SER 0.34 -0.03 1 17 ASN -0.38 -0.25 1 18 THR -1.18 0.11 1 19 ASP 0.64 0.73 1 20 TYR -4.52 -2.70 1 24 HIS 2.05 0.65 1 25 SER 3.35 -2.49 1 26 PHE -1.60 -1.43 1 27 ASP -4.91 -2.74 1 28 VAL -4.40 -1.74 1 29 SER -3.51 -4.32 1 30 PHE -3.01 0.84 1 31 GLN 0.23 -0.65 1 32 GLN 0.54 -0.14 1 35 THR 0.68 -0.37 1 36 ALA 0.21 0.63 1 38 SER -0.28 -0.23 1 39 ALA 0.66 0.69 1 40 THR 1.58 -1.27 1 41 TRP -3.95 -2.29 1 43 TYR -4.70 -1.84 1 44 SER -3.02 0.77 1 45 THR 4.38 2.77 1 46 GLU 2.55 1.54 1 47 LEU -0.87 -1.60 1 48 LYS 4.08 -1.91 1 49 LYS -7.07 -4.62 1 50 LEU -3.85 -4.24 1 51 TYR -4.06 -0.15 1 53 GLN -2.81 0.96 1 54 ILE 1.52 -1.84 1 55 ALA 2.38 -1.84 1 56 LYS -3.03 0.67 1 57 THR 4.26 -0.64 1 60 ILE -1.15 -2.35 1 61 GLN -0.89 -1.07 1 62 ILE -3.21 -1.82 1 63 LYS -5.55 -2.26 1 64 VAL -5.48 0.02 1 65 MET -0.43 0.66 1 66 THR -2.18 -1.56 1 70 GLN 2.69 2.10 1 72 ALA 0.27 -0.31 1 73 VAL -6.58 -2.60 1 74 ILE -3.27 -0.04 1 75 ARG -4.10 -2.56 1 76 ALA -3.75 -2.32 1 79 VAL -5.78 -1.68 1 80 TYR 4.30 -0.61 1 81 LYS -0.49 0.89 1 82 LYS 1.82 1.63 1 83 ALA 3.47 2.01 1 84 GLU 3.23 -0.05 1 86 VAL 4.36 0.96 1 87 THR 2.94 -0.48 1 88 GLU -0.91 -0.82 1 89 VAL 2.49 0.76 1 90 VAL 3.31 -1.38 1 91 LYS -3.26 -1.76 1 92 ARG -0.96 -0.11 1 95 ASN 3.77 3.04 1 96 HIS 6.05 4.01 1 97 GLU 2.90 0.22 1 98 LEU 0.34 0.49 1 99 SER -0.23 0.35 1 101 GLU -5.46 -0.86 1 103 ASN -1.18 0.78 1 104 GLU 0.83 1.17 1 106 GLN -1.09 0.08 1 107 ILE 0.32 0.19 1 108 ALA 0.06 -1.41 1 116 VAL -2.58 -0.92 1 117 GLU -3.76 -0.52 1 119 ASN -1.74 0.68 1 120 SER 2.83 -0.04 1 121 HIS 0.05 0.30 1 122 ALA 0.49 -0.93 1 123 GLN -3.75 -2.52 1 124 TYR 1.32 0.14 1 125 VAL -4.04 -2.14 1 126 GLU -5.21 -1.02 1 127 ASP -2.33 1.22 1 129 ILE 2.93 1.84 1 130 THR -0.83 2.06 1 132 ARG 2.91 0.35 1 133 GLN -1.61 -0.60 1 134 SER -2.65 -3.35 1 135 VAL -5.02 -2.26 1 136 LEU -5.94 -1.24 1 137 VAL -3.50 -2.08 1 139 TYR 3.04 -1.66 1 140 GLU -4.43 -4.03 1 143 GLN 0.32 0.47 1 144 VAL 3.53 0.91 1 146 THR -2.88 -1.31 1 147 GLU -1.38 -1.03 1 148 PHE -4.65 -0.21 1 149 THR 0.82 -1.09 1 150 THR 0.51 -0.36 1 151 VAL -1.64 -3.64 1 152 LEU -1.61 -2.64 1 153 TYR -4.73 0.42 1 154 ASN -7.20 -3.06 1 155 PHE -1.92 2.92 1 156 MET 2.95 -1.41 1 158 ASN -0.88 2.23 1 160 SER 0.36 1.01 1 162 VAL 3.34 1.09 1 165 MET 2.63 3.16 1 166 ASN 3.44 -1.38 1 167 ARG 5.58 -0.07 1 168 ARG -0.42 0.08 1 170 ILE -6.22 -2.10 1 171 LEU -5.20 -2.39 1 172 ILE 1.40 -2.35 1 173 ILE -0.07 0.29 1 174 VAL -1.77 0.05 1 175 THR -4.42 -2.15 1 176 LEU -2.68 -1.66 1 177 GLU -7.56 0.39 1 178 THR -2.37 2.26 1 179 ARG 3.67 0.11 1 180 ASP -0.40 0.14 1 182 GLN 0.88 0.51 1 183 VAL 4.00 -0.27 1 184 LEU -2.72 -0.65 1 186 ARG -4.11 -1.61 1 187 ARG -6.84 -1.79 1 189 PHE -2.75 -3.04 1 190 GLU -1.14 -1.94 1 191 ALA -4.86 -2.70 1 192 ARG -3.19 -2.96 1 193 ILE -0.09 1.10 1 195 ALA 2.09 1.47 1 199 ARG 3.51 2.68 1 200 ASP 4.55 1.45 1 201 ARG 5.39 1.10 1 202 LYS 3.77 1.69 1 203 ALA 3.61 3.43 1 204 ASP 3.91 3.36 1 205 GLU 3.95 2.82 1 206 ASP 3.55 2.45 1 207 SER 3.35 1.78 1 208 ILE 2.67 1.31 1 209 ARG 2.30 1.43 1 210 LYS 1.56 0.84 1 211 GLN 0.98 0.47 1 212 GLN 0.74 0.59 1 213 VAL 0.69 0.28 1 214 SER 0.27 0.00 1 215 ASP 0.43 0.56 1 216 SER 1.15 0.84 1 217 THR 1.25 0.46 1 218 LYS 0.77 -0.07 1 219 ASN 0.30 0.71 1 221 ASP 0.41 0.36 1 222 ALA 0.95 0.19 1 223 PHE 0.38 0.20 1 224 ARG 0.33 -0.19 1 225 GLN 0.41 -0.10 1 226 ASN 0.47 0.44 1 227 THR 0.50 -0.18 1 228 HIS -2.68 1.43 1 230 ILE -0.05 -0.18 1 231 GLN -0.11 -0.26 1 232 MET -0.03 -0.64 1 stop_ save_