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 bmr26048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.07 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 6.38 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 SER 0.06 4.22 0 10 GLN 5.81 3.23 1 11 ASP 2.36 3.68 1 12 MET 4.62 4.19 1 13 ILE 5.27 3.39 1 15 LYS 3.80 3.11 1 16 HIS 0.64 2.24 1 17 HIS -1.53 1.27 1 19 GLU 3.76 3.58 1 20 ASP 4.93 2.90 1 21 THR 7.11 4.65 1 22 TRP 3.02 2.56 1 23 GLU 3.85 2.66 1 24 ALA 3.64 2.49 1 25 ILE 6.13 4.77 1 26 LYS 5.18 4.11 1 27 GLN 4.36 3.24 1 28 LYS 3.70 2.30 1 29 ALA -0.47 -0.06 1 31 LEU -0.75 -1.62 1 32 GLU 3.04 2.57 1 33 ASP 1.21 0.51 1 34 ILE 0.16 -0.56 1 35 ASP 2.21 2.20 1 36 PHE -3.14 -2.04 1 37 PHE -0.66 0.68 1 38 VAL 1.37 0.82 1 40 MET 1.21 -0.68 1 41 GLU -3.33 -1.33 1 42 ALA 0.22 -0.17 1 43 TYR -2.44 0.01 1 44 SER 1.34 1.00 1 45 ASP 5.79 4.88 1 46 ASP 3.93 3.49 1 47 VAL 5.09 5.07 1 48 THR 5.63 5.92 1 49 TYR 5.59 4.22 1 50 HIS 2.92 2.91 1 51 LEU 3.10 3.97 1 52 VAL 6.37 5.39 1 54 ALA 1.40 2.36 1 55 ALA 3.46 2.50 1 56 SER 3.26 2.60 1 57 GLU 2.79 2.82 1 58 VAL 4.36 3.87 1 59 LEU 0.62 0.03 1 61 LYS -5.42 -2.29 1 63 ALA 4.59 3.46 1 64 GLU 4.87 3.97 1 65 GLU 2.96 2.48 1 66 LEU 2.81 2.20 1 67 LEU 1.64 2.58 1 68 ILE 4.68 4.06 1 69 ALA 4.09 2.08 1 70 PHE 3.08 2.07 1 72 GLU 4.13 2.48 1 73 TYR -3.76 -3.39 1 78 THR 4.64 2.57 1 79 SER 3.88 2.72 1 80 GLU 1.56 1.34 1 81 GLU 0.53 -1.26 1 83 TYR 0.08 0.00 1 85 GLU 4.07 2.99 1 86 LEU 7.87 3.49 1 87 LEU 3.21 4.36 1 88 ALA 3.24 2.59 1 89 SER 2.21 2.42 1 90 ALA -0.13 1.63 1 92 ASP -0.95 0.44 1 93 SER -4.20 -1.90 1 94 LEU 9.16 6.59 1 96 GLU 1.52 2.96 1 97 PHE 2.16 4.40 1 98 MET 3.41 2.74 1 99 GLU 2.05 2.76 1 100 ASN -1.27 1.77 1 110 LEU 3.11 1.39 1 111 SER 0.26 -0.06 1 112 PHE -1.57 -1.91 1 114 GLN 0.73 -1.50 1 115 LEU 2.35 0.33 1 120 PHE -5.80 -0.73 1 121 GLU -4.54 -1.17 1 123 GLN -2.92 -1.47 1 124 HIS 0.95 2.39 1 125 THR 0.67 0.41 1 126 SER -0.82 0.22 1 127 SER 3.24 2.42 1 128 LYS -1.26 -1.20 1 129 SER -3.70 -0.81 1 130 MET -5.67 -0.48 1 131 GLU -4.40 -1.59 1 132 LEU -6.32 -1.80 1 133 HIS -1.95 0.85 1 134 TYR -6.30 -3.60 1 135 GLN -3.47 -1.62 1 136 SER -2.79 -2.26 1 137 THR 1.38 0.98 1 138 ARG -1.64 -0.16 1 139 ALA -3.01 -1.30 1 141 LEU 0.58 -1.27 1 142 ALA 7.85 4.54 1 144 MET 3.57 1.85 1 145 VAL 6.82 2.36 1 146 LEU 4.36 3.02 1 148 LEU 0.20 0.32 1 149 LEU 4.21 2.06 1 150 HIS 3.66 3.51 1 152 LEU 2.88 2.00 1 154 LYS 4.51 3.10 1 155 ARG 5.19 3.08 1 156 PHE 1.68 0.80 1 157 GLN 3.97 1.11 1 158 THR -3.19 -0.89 1 159 LYS 1.41 0.70 1 160 VAL -5.29 -2.85 1 161 GLU -3.39 -1.44 1 162 VAL -2.86 -1.83 1 163 THR -3.03 -1.18 1 164 GLN 2.90 0.52 1 165 THR 0.86 -0.28 1 166 ALA -3.59 -0.60 1 167 PHE -3.12 -2.13 1 168 ARG 2.32 2.10 1 169 GLU 2.87 2.59 1 170 THR 0.71 -0.54 1 172 GLU 0.55 -0.22 1 173 ASP 1.72 3.53 1 174 HIS -0.16 -0.09 1 175 ASP -2.01 0.51 1 176 ILE -2.00 -0.78 1 177 PHE -3.99 -1.94 1 178 SER -0.69 -0.87 1 179 ILE -3.06 -0.51 1 180 LYS -2.80 -1.27 1 181 TYR -4.58 -2.84 1 182 GLU -2.98 -0.62 1 183 ASP 0.38 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 3.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.93 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 -2.77 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 SER 0.06 4.16 0 10 GLN 5.81 -2.58 1 11 ASP 2.36 1.32 1 12 MET 4.62 -0.43 1 13 ILE 5.27 -1.88 1 15 LYS 3.80 -0.69 1 16 HIS 0.64 1.60 1 17 HIS -1.53 2.80 1 19 GLU 3.76 -0.18 1 20 ASP 4.93 -2.03 1 21 THR 7.11 -2.46 1 22 TRP 3.02 -0.46 1 23 GLU 3.85 -1.19 1 24 ALA 3.64 -1.15 1 25 ILE 6.13 -1.36 1 26 LYS 5.18 -1.07 1 27 GLN 4.36 -1.12 1 28 LYS 3.70 -1.40 1 29 ALA -0.47 0.41 1 31 LEU -0.75 -0.87 1 32 GLU 3.04 -0.47 1 33 ASP 1.21 -0.70 1 34 ILE 0.16 -0.72 1 35 ASP 2.21 -0.01 1 36 PHE -3.14 1.10 1 37 PHE -0.66 1.34 1 38 VAL 1.37 -0.55 1 40 MET 1.21 -1.89 1 41 GLU -3.33 2.00 1 42 ALA 0.22 -0.39 1 43 TYR -2.44 2.45 1 44 SER 1.34 -0.34 1 45 ASP 5.79 -0.91 1 46 ASP 3.93 -0.44 1 47 VAL 5.09 -0.02 1 48 THR 5.63 0.29 1 49 TYR 5.59 -1.37 1 50 HIS 2.92 -0.01 1 51 LEU 3.10 0.87 1 52 VAL 6.37 -0.98 1 54 ALA 1.40 0.96 1 55 ALA 3.46 -0.96 1 56 SER 3.26 -0.66 1 57 GLU 2.79 0.03 1 58 VAL 4.36 -0.49 1 59 LEU 0.62 -0.59 1 61 LYS -5.42 3.13 1 63 ALA 4.59 -1.13 1 64 GLU 4.87 -0.90 1 65 GLU 2.96 -0.48 1 66 LEU 2.81 -0.61 1 67 LEU 1.64 0.94 1 68 ILE 4.68 -0.62 1 69 ALA 4.09 -2.01 1 70 PHE 3.08 -1.01 1 72 GLU 4.13 -1.65 1 73 TYR -3.76 0.37 1 78 THR 4.64 -2.07 1 79 SER 3.88 -1.16 1 80 GLU 1.56 -0.22 1 81 GLU 0.53 -1.79 1 83 TYR 0.08 -0.08 1 85 GLU 4.07 -1.08 1 86 LEU 7.87 -4.38 1 87 LEU 3.21 1.15 1 88 ALA 3.24 -0.65 1 89 SER 2.21 0.21 1 90 ALA -0.13 1.76 1 92 ASP -0.95 1.39 1 93 SER -4.20 2.30 1 94 LEU 9.16 -2.57 1 96 GLU 1.52 1.44 1 97 PHE 2.16 2.24 1 98 MET 3.41 -0.67 1 99 GLU 2.05 0.71 1 100 ASN -1.27 3.04 1 110 LEU 3.11 -1.72 1 111 SER 0.26 -0.32 1 112 PHE -1.57 -0.34 1 114 GLN 0.73 -2.23 1 115 LEU 2.35 -2.02 1 120 PHE -5.80 5.07 1 121 GLU -4.54 3.37 1 123 GLN -2.92 1.45 1 124 HIS 0.95 1.44 1 125 THR 0.67 -0.26 1 126 SER -0.82 1.04 1 127 SER 3.24 -0.82 1 128 LYS -1.26 0.06 1 129 SER -3.70 2.89 1 130 MET -5.67 5.19 1 131 GLU -4.40 2.81 1 132 LEU -6.32 4.52 1 133 HIS -1.95 2.80 1 134 TYR -6.30 2.70 1 135 GLN -3.47 1.85 1 136 SER -2.79 0.53 1 137 THR 1.38 -0.40 1 138 ARG -1.64 1.48 1 139 ALA -3.01 1.71 1 141 LEU 0.58 -1.85 1 142 ALA 7.85 -3.31 1 144 MET 3.57 -1.72 1 145 VAL 6.82 -4.46 1 146 LEU 4.36 -1.34 1 148 LEU 0.20 0.12 1 149 LEU 4.21 -2.15 1 150 HIS 3.66 -0.15 1 152 LEU 2.88 -0.88 1 154 LYS 4.51 -1.41 1 155 ARG 5.19 -2.11 1 156 PHE 1.68 -0.88 1 157 GLN 3.97 -2.86 1 158 THR -3.19 2.30 1 159 LYS 1.41 -0.71 1 160 VAL -5.29 2.44 1 161 GLU -3.39 1.95 1 162 VAL -2.86 1.03 1 163 THR -3.03 1.85 1 164 GLN 2.90 -2.38 1 165 THR 0.86 -1.14 1 166 ALA -3.59 2.99 1 167 PHE -3.12 0.99 1 168 ARG 2.32 -0.22 1 169 GLU 2.87 -0.28 1 170 THR 0.71 -1.25 1 172 GLU 0.55 -0.77 1 173 ASP 1.72 1.81 1 174 HIS -0.16 0.07 1 175 ASP -2.01 2.52 1 176 ILE -2.00 1.22 1 177 PHE -3.99 2.05 1 178 SER -0.69 -0.18 1 179 ILE -3.06 2.55 1 180 LYS -2.80 1.53 1 181 TYR -4.58 1.74 1 182 GLU -2.98 2.36 1 183 ASP 0.38 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 -1.00 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 GLU 4.13 -2.19 0 87 LEU 3.21 1.46 0 10 GLN 5.81 -1.80 1 11 ASP 2.36 -0.47 1 12 MET 4.62 -1.70 1 13 ILE 5.27 -0.49 1 14 SER 0.06 -0.53 1 15 LYS 3.80 -0.40 1 16 HIS 0.64 -0.44 1 17 HIS -1.53 0.08 1 19 GLU 3.76 -0.17 1 20 ASP 4.93 -0.24 1 21 THR 7.11 -0.45 1 22 TRP 3.02 -0.14 1 23 GLU 3.85 -0.91 1 24 ALA 3.64 -0.28 1 25 ILE 6.13 -0.92 1 26 LYS 5.18 -1.14 1 27 GLN 4.36 -0.42 1 28 LYS 3.70 -0.31 1 29 ALA -0.47 -0.12 1 31 LEU -0.75 0.44 1 32 GLU 3.04 -0.49 1 33 ASP 1.21 -0.13 1 34 ILE 0.16 -0.05 1 35 ASP 2.21 -0.21 1 36 PHE -3.14 0.17 1 37 PHE -0.66 0.37 1 38 VAL 1.37 0.29 1 40 MET 1.21 0.63 1 41 GLU -3.33 0.20 1 42 ALA 0.22 0.11 1 43 TYR -2.44 0.40 1 44 SER 1.34 0.24 1 45 ASP 5.79 0.55 1 46 ASP 3.93 0.47 1 47 VAL 5.09 -0.07 1 48 THR 5.63 0.01 1 49 TYR 5.59 -0.14 1 50 HIS 2.92 0.15 1 51 LEU 3.10 -0.19 1 52 VAL 6.37 -0.65 1 54 ALA 1.40 -0.07 1 55 ALA 3.46 -0.48 1 56 SER 3.26 -0.19 1 57 GLU 2.79 -0.36 1 58 VAL 4.36 -0.51 1 59 LEU 0.62 -0.28 1 61 LYS -5.42 0.17 1 63 ALA 4.59 -0.59 1 64 GLU 4.87 -0.76 1 65 GLU 2.96 -0.66 1 66 LEU 2.81 -0.54 1 67 LEU 1.64 -0.23 1 68 ILE 4.68 -1.28 1 69 ALA 4.09 -0.79 1 70 PHE 3.08 -0.63 1 78 THR 4.64 -1.16 1 79 SER 3.88 -0.99 1 80 GLU 1.56 -0.55 1 81 GLU 0.53 -0.47 1 83 TYR 0.08 0.18 1 85 GLU 4.07 -0.07 1 86 LEU 7.87 0.19 1 88 ALA 3.24 0.42 1 89 SER 2.21 0.21 1 90 ALA -0.13 1.04 1 92 ASP -0.95 0.77 1 93 SER -4.20 -0.14 1 94 LEU 9.16 -0.82 1 96 GLU 1.52 0.13 1 97 PHE 2.16 0.76 1 98 MET 3.41 -0.47 1 99 GLU 2.05 0.59 1 100 ASN -1.27 0.30 1 110 LEU 3.11 -0.98 1 111 SER 0.26 -0.67 1 112 PHE -1.57 -1.09 1 114 GLN 0.73 -0.19 1 115 LEU 2.35 0.04 1 120 PHE -5.80 1.47 1 121 GLU -4.54 0.78 1 123 GLN -2.92 0.52 1 124 HIS 0.95 0.19 1 125 THR 0.67 0.12 1 127 SER 3.24 -0.04 1 128 LYS -1.26 -0.28 1 129 SER -3.70 1.08 1 130 MET -5.67 0.90 1 131 GLU -4.40 0.87 1 132 LEU -6.32 1.04 1 133 HIS -1.95 0.12 1 134 TYR -6.30 0.43 1 135 GLN -3.47 -0.27 1 136 SER -2.79 -0.42 1 137 THR 1.38 -0.18 1 138 ARG -1.64 0.39 1 139 ALA -3.01 0.28 1 141 LEU 0.58 0.23 1 142 ALA 7.85 -0.79 1 144 MET 3.57 -0.73 1 145 VAL 6.82 -0.37 1 146 LEU 4.36 -1.63 1 148 LEU 0.20 0.05 1 149 LEU 4.21 -1.17 1 150 HIS 3.66 -0.91 1 152 LEU 2.88 -0.74 1 154 LYS 4.51 -0.48 1 155 ARG 5.19 -0.76 1 156 PHE 1.68 0.00 1 157 GLN 3.97 -0.53 1 158 THR -3.19 0.27 1 159 LYS 1.41 -0.22 1 160 VAL -5.29 0.85 1 161 GLU -3.39 0.14 1 162 VAL -2.86 0.79 1 163 THR -3.03 0.00 1 164 GLN 2.90 -0.27 1 165 THR 0.86 -0.17 1 166 ALA -3.59 0.37 1 167 PHE -3.12 0.10 1 168 ARG 2.32 -0.26 1 169 GLU 2.87 -0.28 1 170 THR 0.71 0.08 1 172 GLU 0.55 -0.18 1 173 ASP 1.72 -0.61 1 174 HIS -0.16 -0.38 1 175 ASP -2.01 -0.32 1 176 ILE -2.00 0.51 1 177 PHE -3.99 0.17 1 178 SER -0.69 0.49 1 179 ILE -3.06 0.62 1 180 LYS -2.80 0.72 1 181 TYR -4.58 0.97 1 182 GLU -2.98 0.05 1 183 ASP 0.38 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.32 _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 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 9.15 _LACS_plot.Line_2_terminator_val_y_2 3.31 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ALA 7.85 -1.86 0 94 LEU 9.16 -1.16 0 73 TYR -3.76 4.40 0 10 GLN 5.81 2.98 1 11 ASP 2.36 0.98 1 12 MET 4.62 2.14 1 13 ILE 5.27 1.93 1 14 SER 0.06 3.73 1 15 LYS 3.80 1.93 1 16 HIS 0.64 2.61 1 17 HIS -1.53 1.84 1 19 GLU 3.76 1.96 1 20 ASP 4.93 3.38 1 21 THR 7.11 1.45 1 22 TRP 3.02 0.10 1 23 GLU 3.85 2.30 1 24 ALA 3.64 3.24 1 25 ILE 6.13 -0.27 1 26 LYS 5.18 1.85 1 27 GLN 4.36 4.14 1 28 LYS 3.70 1.21 1 29 ALA -0.47 -1.16 1 31 LEU -0.75 -0.70 1 32 GLU 3.04 -0.15 1 33 ASP 1.21 -0.31 1 34 ILE 0.16 -1.37 1 35 ASP 2.21 -0.21 1 36 PHE -3.14 -1.81 1 37 PHE -0.66 -0.37 1 38 VAL 1.37 2.83 1 40 MET 1.21 -0.42 1 41 GLU -3.33 -1.92 1 42 ALA 0.22 -0.83 1 43 TYR -2.44 0.60 1 45 ASP 5.79 1.26 1 46 ASP 3.93 1.40 1 47 VAL 5.09 1.62 1 48 THR 5.63 1.99 1 49 TYR 5.59 4.45 1 50 HIS 2.92 4.73 1 51 LEU 3.10 0.78 1 52 VAL 6.37 1.93 1 54 ALA 1.40 1.45 1 55 ALA 3.46 0.89 1 57 GLU 2.79 2.55 1 58 VAL 4.36 1.96 1 59 LEU 0.62 0.29 1 61 LYS -5.42 -1.81 1 63 ALA 4.59 1.44 1 64 GLU 4.87 0.98 1 65 GLU 2.96 3.46 1 66 LEU 2.81 0.83 1 67 LEU 1.64 0.88 1 68 ILE 4.68 1.62 1 69 ALA 4.09 2.52 1 70 PHE 3.08 -0.56 1 78 THR 4.64 1.78 1 80 GLU 1.56 1.53 1 81 GLU 0.53 -0.76 1 83 TYR 0.08 0.50 1 85 GLU 4.07 3.00 1 86 LEU 7.87 0.41 1 87 LEU 3.21 3.11 1 88 ALA 3.24 2.68 1 89 SER 2.21 0.72 1 90 ALA -0.13 -0.31 1 92 ASP -0.95 -1.02 1 93 SER -4.20 -2.14 1 96 GLU 1.52 2.06 1 97 PHE 2.16 4.29 1 98 MET 3.41 3.46 1 99 GLU 2.05 2.30 1 100 ASN -1.27 2.92 1 114 GLN 0.73 -0.72 1 115 LEU 2.35 -2.72 1 120 PHE -5.80 -0.27 1 121 GLU -4.54 -1.30 1 123 GLN -2.92 -0.38 1 124 HIS 0.95 2.15 1 125 THR 0.67 0.05 1 126 SER -0.82 3.31 1 127 SER 3.24 -0.64 1 128 LYS -1.26 -2.07 1 129 SER -3.70 -1.01 1 130 MET -5.67 -2.27 1 131 GLU -4.40 -2.06 1 132 LEU -6.32 -2.96 1 133 HIS -1.95 -0.03 1 134 TYR -6.30 -2.99 1 135 GLN -3.47 -3.26 1 136 SER -2.79 0.14 1 137 THR 1.38 0.04 1 138 ARG -1.64 -0.32 1 139 ALA -3.01 2.33 1 141 LEU 0.58 0.00 1 144 MET 3.57 0.37 1 149 LEU 4.21 1.16 1 150 HIS 3.66 5.36 1 152 LEU 2.88 1.11 1 154 LYS 4.51 3.37 1 155 ARG 5.19 0.84 1 156 PHE 1.68 -1.30 1 157 GLN 3.97 -1.40 1 158 THR -3.19 -1.67 1 159 LYS 1.41 -0.64 1 160 VAL -5.29 -1.55 1 161 GLU -3.39 -1.15 1 162 VAL -2.86 -1.70 1 163 THR -3.03 -1.92 1 164 GLN 2.90 -1.56 1 165 THR 0.86 -0.23 1 166 ALA -3.59 -1.61 1 167 PHE -3.12 0.12 1 168 ARG 2.32 3.65 1 169 GLU 2.87 1.04 1 170 THR 0.71 0.40 1 172 GLU 0.55 -0.66 1 173 ASP 1.72 -0.36 1 174 HIS -0.16 -2.44 1 175 ASP -2.01 -1.39 1 176 ILE -2.00 -2.51 1 177 PHE -3.99 -1.71 1 178 SER -0.69 -0.56 1 179 ILE -3.06 -1.66 1 180 LYS -2.80 -1.09 1 181 TYR -4.58 -2.07 1 182 GLU -2.98 -1.92 1 183 ASP 0.38 4.66 1 stop_ save_