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 bmr25834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.67 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.05 _LACS_plot.Line_2_terminator_val_x_2 7.02 _LACS_plot.Line_2_terminator_val_y_2 4.61 _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 116 HIS -2.63 4.42 0 10 LEU 0.28 0.19 1 11 SER -0.04 -0.05 1 12 ARG 0.60 0.29 1 13 VAL 0.38 0.15 1 14 ALA -0.20 -0.07 1 15 ALA -0.06 -0.05 1 16 VAL 0.30 0.14 1 17 GLU -0.69 -0.06 1 18 LYS 0.25 0.05 1 19 ALA 0.01 0.02 1 20 ALA -0.01 0.02 1 21 GLU -0.97 -0.23 1 22 ILE -0.01 -0.12 1 23 ALA -0.25 -0.05 1 24 LYS -2.66 -0.80 1 29 LYS 0.17 0.01 1 30 VAL 0.09 0.07 1 31 VAL 0.18 0.09 1 32 GLU -1.51 -0.91 1 33 LEU -1.43 -0.47 1 34 THR -1.85 -0.80 1 35 GLU 4.25 3.25 1 36 ALA 2.40 2.08 1 37 ALA 1.97 2.01 1 38 LYS 2.88 2.60 1 39 GLN 0.44 -0.58 1 40 LEU 2.44 0.76 1 42 GLN 5.06 3.79 1 43 HIS 3.02 3.41 1 44 ILE 2.27 -0.98 1 45 ILE 5.00 4.44 1 47 VAL -1.79 -1.67 1 48 THR 1.71 0.77 1 49 ASP -1.44 0.40 1 51 THR 7.02 5.04 1 52 LYS 2.32 2.53 1 53 LEU 4.07 2.89 1 54 ASN 3.07 2.06 1 55 ALA 1.32 1.54 1 56 GLN 2.06 2.09 1 57 VAL 4.99 2.48 1 58 SER 3.55 2.18 1 59 TYR -0.69 0.77 1 60 PHE -2.01 -0.21 1 61 GLN 0.96 -1.49 1 65 TRP -2.25 -3.49 1 66 ALA -3.12 -0.86 1 67 ALA -6.25 -1.63 1 68 LEU -0.74 0.09 1 70 SER 0.04 -0.63 1 71 VAL -3.57 -1.66 1 72 ALA 0.77 0.39 1 74 HIS -2.53 -0.07 1 75 LEU -2.43 -2.47 1 76 GLN -1.85 -0.73 1 78 THR -5.08 -2.01 1 79 ARG -2.54 -0.28 1 80 ASP 2.95 1.51 1 82 LEU -1.26 -0.91 1 84 LEU -1.77 -0.47 1 86 ALA -2.79 -0.75 1 87 LEU -1.51 -1.74 1 89 LEU -1.65 -1.14 1 90 HIS -0.21 2.57 1 91 ARG 0.63 1.53 1 92 PHE -5.26 -3.25 1 94 PHE -4.49 -2.34 1 95 TYR -5.16 -0.51 1 96 LEU -3.76 -0.99 1 97 PHE -4.66 -1.93 1 99 ARG 0.53 1.50 1 100 SER 0.32 -0.39 1 101 LYS 3.43 1.99 1 102 VAL 1.97 0.76 1 104 ASP 1.00 2.83 1 105 TYR -1.03 -0.55 1 106 VAL 0.11 -0.98 1 107 LEU -3.04 -2.24 1 108 GLU -1.20 0.05 1 109 HIS 2.02 4.94 1 111 SER -0.24 0.91 1 112 ILE 0.86 -1.20 1 113 SER 1.45 2.54 1 114 SER 6.57 4.96 1 115 VAL 2.86 2.18 1 117 ALA -7.04 -1.54 1 118 VAL -7.67 -4.39 1 119 LEU -4.92 -1.19 1 120 VAL -5.13 -2.96 1 121 PHE 4.55 2.59 1 122 HIS -2.45 0.83 1 125 GLN 0.70 0.73 1 126 ARG 5.46 1.19 1 128 PHE 2.12 3.03 1 129 VAL -3.15 -1.70 1 130 LEU -6.24 -2.11 1 131 MET -5.65 -0.42 1 132 ASP -1.39 -0.43 1 133 LEU 1.82 -0.87 1 135 SER 1.73 0.70 1 136 THR 5.56 4.64 1 137 ASN 0.27 0.58 1 139 VAL -4.27 -0.98 1 140 LYS -4.44 -1.68 1 141 LEU -5.11 -2.38 1 142 ASN 3.33 1.31 1 144 ASN -3.64 -1.50 1 145 ARG 2.05 0.94 1 146 ILE -0.77 -0.30 1 147 GLU -0.95 -0.26 1 148 LYS 1.29 1.75 1 149 ARG 5.98 2.47 1 150 ARG -3.71 -1.51 1 152 LEU -4.30 -1.75 1 154 ALA -2.38 -2.38 1 156 VAL 4.83 3.44 1 158 SER 1.65 1.97 1 159 SER -3.20 -1.56 1 160 ILE -4.68 -1.05 1 161 GLN -5.83 -0.60 1 162 PHE -2.37 -1.29 1 164 PHE -2.13 -3.64 1 165 SER 1.20 -0.30 1 166 SER 1.27 1.31 1 167 ARG 1.36 1.45 1 168 VAL -0.66 -0.16 1 169 TYR -3.06 -2.00 1 170 LYS -5.09 -2.29 1 171 VAL 3.61 1.65 1 172 GLN -5.16 -1.88 1 173 LEU -0.77 0.85 1 177 SER -0.39 -0.30 1 178 SER -0.14 0.30 1 179 SER 0.70 1.78 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.67 _LACS_plot.Line_1_terminator_val_y_1 4.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.95 _LACS_plot.Line_2_terminator_val_x_2 7.02 _LACS_plot.Line_2_terminator_val_y_2 -2.41 _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 116 HIS -2.63 7.05 0 10 LEU 0.28 -0.09 1 11 SER -0.04 -0.01 1 12 ARG 0.60 -0.31 1 13 VAL 0.38 -0.23 1 14 ALA -0.20 0.13 1 15 ALA -0.06 0.01 1 16 VAL 0.30 -0.16 1 17 GLU -0.69 0.63 1 18 LYS 0.25 -0.20 1 19 ALA 0.01 0.01 1 20 ALA -0.01 0.03 1 21 GLU -0.97 0.74 1 22 ILE -0.01 -0.11 1 23 ALA -0.25 0.20 1 24 LYS -2.66 1.86 1 29 LYS 0.17 -0.16 1 30 VAL 0.09 -0.02 1 31 VAL 0.18 -0.09 1 32 GLU -1.51 0.60 1 33 LEU -1.43 0.96 1 34 THR -1.85 1.05 1 35 GLU 4.25 -1.00 1 36 ALA 2.40 -0.32 1 37 ALA 1.97 0.04 1 38 LYS 2.88 -0.28 1 39 GLN 0.44 -1.02 1 40 LEU 2.44 -1.68 1 42 GLN 5.06 -1.27 1 43 HIS 3.02 0.39 1 44 ILE 2.27 -3.25 1 45 ILE 5.00 -0.56 1 47 VAL -1.79 0.12 1 48 THR 1.71 -0.94 1 49 ASP -1.44 1.84 1 51 THR 7.02 -1.98 1 52 LYS 2.32 0.21 1 53 LEU 4.07 -1.18 1 54 ASN 3.07 -1.01 1 55 ALA 1.32 0.22 1 56 GLN 2.06 0.03 1 57 VAL 4.99 -2.51 1 58 SER 3.55 -1.37 1 59 TYR -0.69 1.46 1 60 PHE -2.01 1.80 1 61 GLN 0.96 -2.45 1 65 TRP -2.25 -1.24 1 66 ALA -3.12 2.26 1 67 ALA -6.25 4.62 1 68 LEU -0.74 0.83 1 70 SER 0.04 -0.67 1 71 VAL -3.57 1.91 1 72 ALA 0.77 -0.38 1 74 HIS -2.53 2.46 1 75 LEU -2.43 -0.04 1 76 GLN -1.85 1.12 1 78 THR -5.08 3.07 1 79 ARG -2.54 2.26 1 80 ASP 2.95 -1.44 1 82 LEU -1.26 0.35 1 84 LEU -1.77 1.30 1 86 ALA -2.79 2.04 1 87 LEU -1.51 -0.23 1 89 LEU -1.65 0.51 1 90 HIS -0.21 2.78 1 91 ARG 0.63 0.90 1 92 PHE -5.26 2.01 1 94 PHE -4.49 2.15 1 95 TYR -5.16 4.65 1 96 LEU -3.76 2.77 1 97 PHE -4.66 2.73 1 99 ARG 0.53 0.97 1 100 SER 0.32 -0.71 1 101 LYS 3.43 -1.44 1 102 VAL 1.97 -1.21 1 104 ASP 1.00 1.83 1 105 TYR -1.03 0.48 1 106 VAL 0.11 -1.09 1 107 LEU -3.04 0.80 1 108 GLU -1.20 1.25 1 109 HIS 2.02 2.92 1 111 SER -0.24 1.15 1 112 ILE 0.86 -2.06 1 113 SER 1.45 1.09 1 114 SER 6.57 -1.61 1 115 VAL 2.86 -0.68 1 117 ALA -7.04 5.50 1 118 VAL -7.67 3.28 1 119 LEU -4.92 3.73 1 120 VAL -5.13 2.17 1 121 PHE 4.55 -1.96 1 122 HIS -2.45 3.28 1 125 GLN 0.70 0.03 1 126 ARG 5.46 -4.27 1 128 PHE 2.12 0.91 1 129 VAL -3.15 1.45 1 130 LEU -6.24 4.13 1 131 MET -5.65 5.23 1 132 ASP -1.39 0.96 1 133 LEU 1.82 -2.69 1 135 SER 1.73 -1.03 1 136 THR 5.56 -0.92 1 137 ASN 0.27 0.31 1 139 VAL -4.27 3.29 1 140 LYS -4.44 2.76 1 141 LEU -5.11 2.73 1 142 ASN 3.33 -2.02 1 144 ASN -3.64 2.14 1 145 ARG 2.05 -1.11 1 146 ILE -0.77 0.47 1 147 GLU -0.95 0.69 1 148 LYS 1.29 0.46 1 149 ARG 5.98 -3.51 1 150 ARG -3.71 2.20 1 152 LEU -4.30 2.55 1 154 ALA -2.38 0.00 1 156 VAL 4.83 -1.39 1 158 SER 1.65 0.32 1 159 SER -3.20 1.64 1 160 ILE -4.68 3.63 1 161 GLN -5.83 5.23 1 162 PHE -2.37 1.08 1 164 PHE -2.13 -1.51 1 165 SER 1.20 -1.50 1 166 SER 1.27 0.04 1 167 ARG 1.36 0.09 1 168 VAL -0.66 0.50 1 169 TYR -3.06 1.06 1 170 LYS -5.09 2.80 1 171 VAL 3.61 -1.96 1 172 GLN -5.16 3.28 1 173 LEU -0.77 1.62 1 177 SER -0.39 0.09 1 178 SER -0.14 0.44 1 179 SER 0.70 1.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.67 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.02 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 THR 7.02 -0.16 0 122 HIS -2.45 -0.89 0 118 VAL -7.67 1.74 0 10 LEU 0.28 -0.04 1 11 SER -0.04 -0.15 1 12 ARG 0.60 -0.04 1 13 VAL 0.38 -0.12 1 14 ALA -0.20 -0.09 1 15 ALA -0.06 -0.08 1 16 VAL 0.30 -0.12 1 17 GLU -0.69 -0.15 1 18 LYS 0.25 -0.12 1 19 ALA 0.01 -0.14 1 20 ALA -0.01 -0.10 1 21 GLU -0.97 -0.15 1 22 ILE -0.01 -0.11 1 23 ALA -0.25 -0.14 1 24 LYS -2.66 -0.38 1 29 LYS 0.17 -0.11 1 30 VAL 0.09 -0.12 1 31 VAL 0.18 -0.25 1 32 GLU -1.51 -0.16 1 33 LEU -1.43 0.49 1 34 THR -1.85 -0.17 1 35 GLU 4.25 -0.59 1 36 ALA 2.40 -0.35 1 37 ALA 1.97 -0.47 1 38 LYS 2.88 -0.46 1 39 GLN 0.44 -0.14 1 40 LEU 2.44 -0.83 1 42 GLN 5.06 -0.56 1 43 HIS 3.02 -0.20 1 44 ILE 2.27 -0.30 1 45 ILE 5.00 -0.67 1 47 VAL -1.79 0.64 1 48 THR 1.71 0.10 1 49 ASP -1.44 -0.31 1 52 LYS 2.32 -0.40 1 53 LEU 4.07 -0.53 1 54 ASN 3.07 -0.47 1 55 ALA 1.32 -0.09 1 56 GLN 2.06 0.07 1 57 VAL 4.99 0.09 1 58 SER 3.55 -0.59 1 59 TYR -0.69 -0.21 1 60 PHE -2.01 -0.21 1 61 GLN 0.96 -0.62 1 65 TRP -2.25 -0.23 1 66 ALA -3.12 1.10 1 67 ALA -6.25 0.29 1 68 LEU -0.74 -0.70 1 70 SER 0.04 -0.27 1 71 VAL -3.57 0.09 1 72 ALA 0.77 -0.10 1 74 HIS -2.53 0.12 1 75 LEU -2.43 0.68 1 76 GLN -1.85 0.24 1 78 THR -5.08 0.66 1 79 ARG -2.54 0.07 1 80 ASP 2.95 -0.45 1 82 LEU -1.26 0.31 1 84 LEU -1.77 0.31 1 86 ALA -2.79 -0.13 1 87 LEU -1.51 0.29 1 89 LEU -1.65 0.19 1 90 HIS -0.21 0.14 1 91 ARG 0.63 -0.30 1 92 PHE -5.26 0.51 1 94 PHE -4.49 1.35 1 95 TYR -5.16 -0.18 1 96 LEU -3.76 0.74 1 97 PHE -4.66 0.62 1 99 ARG 0.53 0.31 1 100 SER 0.32 -0.13 1 101 LYS 3.43 -0.38 1 102 VAL 1.97 -0.22 1 104 ASP 1.00 -0.71 1 105 TYR -1.03 0.68 1 106 VAL 0.11 0.41 1 107 LEU -3.04 0.23 1 108 GLU -1.20 -0.10 1 109 HIS 2.02 -1.18 1 111 SER -0.24 -0.14 1 112 ILE 0.86 0.05 1 113 SER 1.45 -0.26 1 114 SER 6.57 -0.26 1 115 VAL 2.86 -0.47 1 116 HIS -2.63 -0.54 1 117 ALA -7.04 0.91 1 119 LEU -4.92 1.41 1 120 VAL -5.13 1.32 1 121 PHE 4.55 -0.77 1 125 GLN 0.70 -0.41 1 126 ARG 5.46 -0.87 1 128 PHE 2.12 0.18 1 129 VAL -3.15 0.50 1 130 LEU -6.24 1.08 1 131 MET -5.65 0.31 1 132 ASP -1.39 0.03 1 133 LEU 1.82 0.09 1 135 SER 1.73 -0.38 1 136 THR 5.56 -0.43 1 137 ASN 0.27 0.15 1 139 VAL -4.27 0.43 1 140 LYS -4.44 0.59 1 141 LEU -5.11 0.70 1 142 ASN 3.33 -0.34 1 144 ASN -3.64 0.27 1 145 ARG 2.05 0.28 1 146 ILE -0.77 0.40 1 147 GLU -0.95 -0.15 1 148 LYS 1.29 -0.20 1 149 ARG 5.98 -0.68 1 150 ARG -3.71 0.31 1 152 LEU -4.30 0.30 1 154 ALA -2.38 0.26 1 156 VAL 4.83 -0.80 1 158 SER 1.65 0.21 1 159 SER -3.20 0.86 1 160 ILE -4.68 0.65 1 161 GLN -5.83 0.22 1 162 PHE -2.37 -0.06 1 164 PHE -2.13 0.32 1 165 SER 1.20 -0.47 1 166 SER 1.27 -0.28 1 167 ARG 1.36 -0.12 1 168 VAL -0.66 0.04 1 169 TYR -3.06 0.65 1 170 LYS -5.09 1.17 1 171 VAL 3.61 -0.30 1 172 GLN -5.16 0.53 1 173 LEU -0.77 0.15 1 177 SER -0.39 -0.20 1 178 SER -0.14 0.23 1 179 SER 0.70 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25834_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.67 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 7.02 _LACS_plot.Line_2_terminator_val_y_2 1.33 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 LEU 2.44 -3.88 0 126 ARG 5.46 -2.47 0 121 PHE 4.55 -2.97 0 149 ARG 5.98 -2.18 0 179 SER 0.70 3.90 0 12 ARG 0.60 1.43 1 13 VAL 0.38 -0.51 1 14 ALA -0.20 -0.63 1 15 ALA -0.06 0.00 1 16 VAL 0.30 -0.02 1 17 GLU -0.69 -0.06 1 18 LYS 0.25 -0.38 1 19 ALA 0.01 -0.22 1 22 ILE -0.01 -0.59 1 23 ALA -0.25 -1.86 1 24 LYS -2.66 -0.50 1 29 LYS 0.17 -0.15 1 30 VAL 0.09 -0.63 1 31 VAL 0.18 -1.46 1 32 GLU -1.51 0.60 1 33 LEU -1.43 0.64 1 34 THR -1.85 0.22 1 35 GLU 4.25 2.31 1 36 ALA 2.40 2.75 1 37 ALA 1.97 0.43 1 38 LYS 2.88 0.28 1 39 GLN 0.44 0.48 1 42 GLN 5.06 1.99 1 44 ILE 2.27 2.32 1 45 ILE 5.00 1.92 1 47 VAL -1.79 -0.90 1 48 THR 1.71 -2.61 1 49 ASP -1.44 -0.32 1 51 THR 7.02 2.30 1 52 LYS 2.32 0.95 1 53 LEU 4.07 0.71 1 54 ASN 3.07 3.19 1 55 ALA 1.32 2.16 1 56 GLN 2.06 2.50 1 57 VAL 4.99 -1.51 1 58 SER 3.55 -0.34 1 59 TYR -0.69 -0.33 1 60 PHE -2.01 -4.08 1 61 GLN 0.96 -3.58 1 65 TRP -2.25 0.66 1 66 ALA -3.12 -1.77 1 67 ALA -6.25 -2.79 1 70 SER 0.04 -1.15 1 71 VAL -3.57 -2.14 1 72 ALA 0.77 -0.91 1 75 LEU -2.43 -0.82 1 76 GLN -1.85 -0.50 1 78 THR -5.08 -1.74 1 79 ARG -2.54 -0.49 1 80 ASP 2.95 -0.83 1 82 LEU -1.26 -1.04 1 84 LEU -1.77 -1.55 1 86 ALA -2.79 0.31 1 87 LEU -1.51 -0.38 1 89 LEU -1.65 -0.03 1 91 ARG 0.63 -1.09 1 92 PHE -5.26 -1.74 1 94 PHE -4.49 -3.45 1 95 TYR -5.16 -2.48 1 96 LEU -3.76 -1.56 1 97 PHE -4.66 0.07 1 99 ARG 0.53 0.92 1 100 SER 0.32 1.57 1 101 LYS 3.43 -0.05 1 102 VAL 1.97 0.53 1 104 ASP 1.00 -0.89 1 105 TYR -1.03 -2.90 1 106 VAL 0.11 0.19 1 107 LEU -3.04 -1.81 1 108 GLU -1.20 0.10 1 111 SER -0.24 -0.05 1 112 ILE 0.86 -0.43 1 113 SER 1.45 -0.30 1 114 SER 6.57 -0.35 1 115 VAL 2.86 -2.73 1 117 ALA -7.04 -4.07 1 118 VAL -7.67 -3.17 1 119 LEU -4.92 -3.37 1 120 VAL -5.13 -2.04 1 125 GLN 0.70 -0.35 1 128 PHE 2.12 -0.37 1 129 VAL -3.15 -2.80 1 130 LEU -6.24 -2.29 1 131 MET -5.65 -1.74 1 132 ASP -1.39 1.99 1 133 LEU 1.82 -1.43 1 135 SER 1.73 0.59 1 136 THR 5.56 1.84 1 137 ASN 0.27 0.68 1 139 VAL -4.27 -2.93 1 140 LYS -4.44 -2.15 1 141 LEU -5.11 -1.26 1 142 ASN 3.33 0.06 1 144 ASN -3.64 -1.09 1 145 ARG 2.05 0.78 1 147 GLU -0.95 -0.48 1 148 LYS 1.29 -0.79 1 150 ARG -3.71 -0.73 1 152 LEU -4.30 -2.27 1 154 ALA -2.38 -3.35 1 156 VAL 4.83 0.07 1 158 SER 1.65 -2.16 1 159 SER -3.20 -0.87 1 160 ILE -4.68 -1.93 1 161 GLN -5.83 -1.78 1 162 PHE -2.37 -1.43 1 164 PHE -2.13 0.18 1 165 SER 1.20 1.70 1 166 SER 1.27 -0.10 1 167 ARG 1.36 -0.74 1 168 VAL -0.66 -1.90 1 169 TYR -3.06 -1.08 1 170 LYS -5.09 0.03 1 171 VAL 3.61 -0.50 1 172 GLN -5.16 -1.71 1 173 LEU -0.77 0.07 1 177 SER -0.39 -0.29 1 178 SER -0.14 -1.08 1 stop_ save_