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 bmr11351_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 -3.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 3.76 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 PHE -7.50 0.06 0 10 GLN -7.40 -2.65 1 11 PHE -0.77 1.81 1 12 HIS 0.53 3.17 1 13 SER 3.73 3.04 1 14 VAL 4.44 1.83 1 15 HIS -4.75 -1.65 1 17 ASP 2.86 2.83 1 18 ASN 1.32 -0.38 1 19 ILE -3.56 -4.96 1 20 ARG -4.06 -1.39 1 21 ILE -2.23 -3.03 1 22 SER -0.34 -0.30 1 26 THR 0.09 2.03 1 27 LEU -3.88 -0.86 1 28 ALA -4.15 -2.43 1 29 ARG -6.02 -2.33 1 30 ARG -1.33 -1.74 1 31 PHE -0.76 -0.03 1 32 GLU -4.49 -1.49 1 33 SER -0.77 -1.54 1 34 PHE -2.38 -2.70 1 36 ARG 5.03 1.33 1 37 ALA -4.04 -2.32 1 38 ILE 3.30 3.07 1 39 THR -5.85 -1.64 1 40 PHE -7.59 -1.97 1 41 SER -1.01 0.60 1 42 ALA 1.73 1.58 1 43 ARG -2.37 -2.44 1 45 VAL -3.92 -2.95 1 46 ARG -2.07 -1.00 1 47 ILE 4.04 1.75 1 48 ASN 4.53 3.13 1 49 GLU -0.66 -0.08 1 50 ARG 2.13 1.48 1 51 ILE 1.11 -0.35 1 53 VAL -5.51 -2.88 1 54 LYS -5.47 -2.27 1 55 PHE 1.95 -1.75 1 56 ALA 0.30 1.33 1 57 GLU -4.39 -0.88 1 58 ILE -6.03 -3.50 1 59 SER -3.58 -1.93 1 60 ASN 0.06 -0.05 1 61 ASN 1.76 1.17 1 62 TRP -3.67 -2.39 1 63 ASN -2.56 0.05 1 66 ILE 0.89 1.69 1 67 ARG -3.24 -0.65 1 68 PHE -5.58 -2.61 1 71 THR -5.17 -3.65 1 72 SER -1.27 -0.76 1 73 ASN -2.44 -1.16 1 74 ASP -3.02 -1.96 1 76 VAL 4.81 3.51 1 77 THR 1.17 1.23 1 78 LEU -1.14 -1.67 1 79 GLU 1.91 1.76 1 81 THR -1.82 -1.45 1 82 LEU 1.10 0.25 1 84 LYS 3.23 3.56 1 85 TYR -7.19 -3.55 1 86 ALA 1.83 1.69 1 89 ASP 5.82 5.04 1 90 LEU 3.27 1.42 1 91 THR 4.88 2.87 1 92 ASN 0.49 0.15 1 93 ARG -0.18 -0.24 1 96 PHE -3.77 0.17 1 97 TRP -1.82 0.51 1 98 ALA -1.23 -0.52 1 99 LYS -6.18 -1.63 1 100 ALA -0.37 -0.45 1 101 LEU -4.02 -1.98 1 102 HIS 2.59 4.62 1 103 GLU 4.24 3.87 1 104 GLN 4.14 2.18 1 105 TYR -1.24 -1.38 1 107 GLU -5.27 -2.29 1 108 LYS 2.83 2.35 1 109 ASP 5.97 3.51 1 110 ASN 0.45 0.07 1 111 ILE -2.67 -1.23 1 112 LEU -4.24 -1.55 1 113 TYR -7.36 -2.97 1 114 TYR -3.30 -1.19 1 115 TYR -3.44 -1.50 1 116 VAL -5.95 -4.96 1 117 ASN -3.79 -2.77 1 119 ALA -0.67 -0.79 1 121 ASP -1.44 -1.18 1 122 VAL -1.00 -1.62 1 123 ILE -1.94 -1.63 1 124 TYR -9.25 -3.85 1 126 ILE -4.96 -4.76 1 127 ASN 4.45 1.67 1 128 ASN 2.20 1.67 1 129 GLU -3.28 -1.44 1 130 GLU 1.06 2.26 1 131 LYS -0.60 -2.15 1 133 VAL 0.02 -0.17 1 134 ILE -3.20 -1.17 1 135 LEU -7.69 -1.41 1 136 THR -3.98 -1.86 1 138 ILE 4.03 0.48 1 139 ASP -0.20 -0.55 1 140 THR 0.98 -0.63 1 141 ARG 2.34 2.00 1 142 SER -2.58 -2.27 1 143 LEU -0.67 0.20 1 144 LEU -7.36 -1.83 1 145 TRP -2.36 1.24 1 146 THR 0.58 0.69 1 147 VAL -4.76 -2.65 1 148 ILE -3.05 -0.18 1 149 ASP -4.73 -1.65 1 150 ILE 4.39 0.46 1 153 ASN 2.96 2.13 1 155 THR 0.24 -0.29 1 157 ILE -5.30 -2.48 1 158 GLU -9.04 -3.53 1 159 PHE -2.21 -0.89 1 160 LEU -4.05 -2.51 1 161 ASP -0.33 -0.39 1 162 SER 2.28 2.24 1 163 ARG 3.17 2.16 1 164 ILE 1.41 1.11 1 165 TYR 1.08 1.49 1 166 MET 0.32 -0.25 1 167 TYR 0.26 -0.32 1 168 GLN 0.36 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11351_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 5.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.94 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 -2.21 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 PHE -7.50 7.56 0 10 GLN -7.40 4.75 1 11 PHE -0.77 2.58 1 12 HIS 0.53 2.64 1 13 SER 3.73 -0.69 1 14 VAL 4.44 -2.61 1 15 HIS -4.75 3.10 1 17 ASP 2.86 -0.03 1 18 ASN 1.32 -1.70 1 19 ILE -3.56 -1.40 1 20 ARG -4.06 2.67 1 21 ILE -2.23 -0.80 1 22 SER -0.34 0.04 1 26 THR 0.09 1.94 1 27 LEU -3.88 3.02 1 28 ALA -4.15 1.72 1 29 ARG -6.02 3.69 1 30 ARG -1.33 -0.41 1 31 PHE -0.76 0.73 1 32 GLU -4.49 3.00 1 33 SER -0.77 -0.77 1 34 PHE -2.38 -0.32 1 36 ARG 5.03 -3.70 1 37 ALA -4.04 1.72 1 38 ILE 3.30 -0.23 1 39 THR -5.85 4.21 1 40 PHE -7.59 5.62 1 41 SER -1.01 1.61 1 42 ALA 1.73 -0.15 1 43 ARG -2.37 -0.07 1 45 VAL -3.92 0.97 1 46 ARG -2.07 1.07 1 47 ILE 4.04 -2.29 1 48 ASN 4.53 -1.40 1 49 GLU -0.66 0.58 1 50 ARG 2.13 -0.65 1 51 ILE 1.11 -1.46 1 53 VAL -5.51 2.63 1 54 LYS -5.47 3.20 1 55 PHE 1.95 -3.70 1 56 ALA 0.30 1.03 1 57 GLU -4.39 3.51 1 58 ILE -6.03 2.53 1 59 SER -3.58 1.65 1 60 ASN 0.06 -0.11 1 61 ASN 1.76 -0.59 1 62 TRP -3.67 1.28 1 63 ASN -2.56 2.61 1 66 ILE 0.89 0.80 1 67 ARG -3.24 2.59 1 68 PHE -5.58 2.97 1 71 THR -5.17 1.52 1 72 SER -1.27 0.51 1 73 ASN -2.44 1.28 1 74 ASP -3.02 1.06 1 76 VAL 4.81 -1.30 1 77 THR 1.17 0.06 1 78 LEU -1.14 -0.53 1 79 GLU 1.91 -0.15 1 81 THR -1.82 0.37 1 82 LEU 1.10 -0.85 1 84 LYS 3.23 0.33 1 85 TYR -7.19 3.64 1 86 ALA 1.83 -0.14 1 89 ASP 5.82 -0.78 1 90 LEU 3.27 -1.85 1 91 THR 4.88 -2.01 1 92 ASN 0.49 -0.34 1 93 ARG -0.18 -0.06 1 96 PHE -3.77 3.94 1 97 TRP -1.82 2.33 1 98 ALA -1.23 0.71 1 99 LYS -6.18 4.55 1 100 ALA -0.37 -0.08 1 101 LEU -4.02 2.04 1 102 HIS 2.59 2.03 1 103 GLU 4.24 -0.37 1 104 GLN 4.14 -1.96 1 105 TYR -1.24 -0.14 1 107 GLU -5.27 2.98 1 108 LYS 2.83 -0.48 1 109 ASP 5.97 -2.46 1 110 ASN 0.45 -0.38 1 111 ILE -2.67 1.44 1 112 LEU -4.24 2.69 1 113 TYR -7.36 4.39 1 114 TYR -3.30 2.11 1 115 TYR -3.44 1.94 1 116 VAL -5.95 0.99 1 117 ASN -3.79 1.02 1 119 ALA -0.67 -0.12 1 121 ASP -1.44 0.26 1 122 VAL -1.00 -0.62 1 123 ILE -1.94 0.31 1 124 TYR -9.25 5.40 1 126 ILE -4.96 0.20 1 127 ASN 4.45 -2.78 1 128 ASN 2.20 -0.53 1 129 GLU -3.28 1.84 1 130 GLU 1.06 1.20 1 131 LYS -0.60 -1.55 1 133 VAL 0.02 -0.19 1 134 ILE -3.20 2.03 1 135 LEU -7.69 6.28 1 136 THR -3.98 2.12 1 138 ILE 4.03 -3.55 1 139 ASP -0.20 -0.35 1 140 THR 0.98 -1.61 1 141 ARG 2.34 -0.34 1 142 SER -2.58 0.31 1 143 LEU -0.67 0.87 1 144 LEU -7.36 5.53 1 145 TRP -2.36 3.60 1 146 THR 0.58 0.11 1 147 VAL -4.76 2.11 1 148 ILE -3.05 2.87 1 149 ASP -4.73 3.08 1 150 ILE 4.39 -3.93 1 153 ASN 2.96 -0.83 1 155 THR 0.24 -0.53 1 157 ILE -5.30 2.82 1 158 GLU -9.04 5.51 1 159 PHE -2.21 1.32 1 160 LEU -4.05 1.54 1 161 ASP -0.33 -0.06 1 162 SER 2.28 -0.04 1 163 ARG 3.17 -1.01 1 164 ILE 1.41 -0.30 1 165 TYR 1.08 0.41 1 166 MET 0.32 -0.57 1 167 TYR 0.26 -0.58 1 168 GLN 0.36 1.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11351_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 1.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 ASP -3.02 -3.24 0 10 GLN -7.40 0.48 1 11 PHE -0.77 0.49 1 12 HIS 0.53 -0.68 1 13 SER 3.73 -0.12 1 14 VAL 4.44 -0.24 1 15 HIS -4.75 0.22 1 17 ASP 2.86 -0.06 1 18 ASN 1.32 -0.05 1 19 ILE -3.56 0.97 1 20 ARG -4.06 0.19 1 21 ILE -2.23 0.79 1 22 SER -0.34 -0.04 1 26 THR 0.09 0.54 1 27 LEU -3.88 1.11 1 28 ALA -4.15 0.40 1 29 ARG -6.02 0.92 1 30 ARG -1.33 0.79 1 31 PHE -0.76 -0.05 1 32 GLU -4.49 0.06 1 33 SER -0.77 -0.60 1 34 PHE -2.38 -0.72 1 36 ARG 5.03 -0.31 1 37 ALA -4.04 0.07 1 38 ILE 3.30 -0.63 1 39 THR -5.85 0.53 1 40 PHE -7.59 1.48 1 41 SER -1.01 0.35 1 42 ALA 1.73 -0.05 1 43 ARG -2.37 0.59 1 45 VAL -3.92 0.14 1 46 ARG -2.07 0.04 1 47 ILE 4.04 -0.54 1 48 ASN 4.53 -0.58 1 49 GLU -0.66 -0.28 1 50 ARG 2.13 -0.01 1 51 ILE 1.11 -0.26 1 53 VAL -5.51 0.92 1 54 LYS -5.47 0.65 1 55 PHE 1.95 0.23 1 56 ALA 0.30 -0.03 1 57 GLU -4.39 0.25 1 58 ILE -6.03 0.99 1 59 SER -3.58 0.22 1 60 ASN 0.06 0.07 1 61 ASN 1.76 -0.49 1 62 TRP -3.67 0.16 1 63 ASN -2.56 0.20 1 66 ILE 0.89 0.42 1 67 ARG -3.24 1.00 1 68 PHE -5.58 0.98 1 70 PHE -7.50 1.49 1 71 THR -5.17 1.40 1 72 SER -1.27 1.19 1 73 ASN -2.44 -0.24 1 76 VAL 4.81 -0.42 1 77 THR 1.17 -0.22 1 78 LEU -1.14 -0.16 1 79 GLU 1.91 -0.56 1 81 THR -1.82 0.27 1 82 LEU 1.10 -0.48 1 84 LYS 3.23 -0.86 1 85 TYR -7.19 0.33 1 86 ALA 1.83 -0.46 1 89 ASP 5.82 -0.66 1 90 LEU 3.27 -0.52 1 91 THR 4.88 -0.45 1 92 ASN 0.49 -0.03 1 93 ARG -0.18 0.06 1 96 PHE -3.77 0.12 1 97 TRP -1.82 0.34 1 98 ALA -1.23 0.44 1 99 LYS -6.18 0.03 1 100 ALA -0.37 0.33 1 101 LEU -4.02 0.02 1 102 HIS 2.59 -0.63 1 103 GLU 4.24 -0.42 1 104 GLN 4.14 -0.19 1 105 TYR -1.24 0.28 1 107 GLU -5.27 0.15 1 108 LYS 2.83 -0.50 1 109 ASP 5.97 -0.55 1 110 ASN 0.45 0.34 1 111 ILE -2.67 0.59 1 112 LEU -4.24 0.77 1 113 TYR -7.36 2.15 1 114 TYR -3.30 1.31 1 115 TYR -3.44 0.50 1 116 VAL -5.95 1.28 1 117 ASN -3.79 0.47 1 119 ALA -0.67 0.03 1 121 ASP -1.44 0.34 1 122 VAL -1.00 0.96 1 123 ILE -1.94 0.50 1 124 TYR -9.25 1.23 1 126 ILE -4.96 0.92 1 127 ASN 4.45 -0.33 1 128 ASN 2.20 -0.35 1 129 GLU -3.28 0.27 1 130 GLU 1.06 -0.35 1 131 LYS -0.60 0.17 1 133 VAL 0.02 0.57 1 134 ILE -3.20 0.54 1 135 LEU -7.69 0.46 1 136 THR -3.98 0.68 1 138 ILE 4.03 -2.67 1 139 ASP -0.20 -0.23 1 140 THR 0.98 -0.32 1 141 ARG 2.34 -0.26 1 142 SER -2.58 0.11 1 143 LEU -0.67 -0.26 1 144 LEU -7.36 1.01 1 145 TRP -2.36 0.17 1 146 THR 0.58 0.62 1 147 VAL -4.76 0.91 1 148 ILE -3.05 0.48 1 149 ASP -4.73 0.25 1 150 ILE 4.39 -0.51 1 153 ASN 2.96 -0.05 1 155 THR 0.24 -0.07 1 157 ILE -5.30 1.12 1 158 GLU -9.04 1.45 1 159 PHE -2.21 0.69 1 160 LEU -4.05 0.34 1 161 ASP -0.33 -0.05 1 162 SER 2.28 -0.18 1 163 ARG 3.17 -0.25 1 164 ILE 1.41 -0.26 1 165 TYR 1.08 -0.27 1 166 MET 0.32 -0.17 1 167 TYR 0.26 -0.06 1 168 GLN 0.36 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11351_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.25 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _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 5.97 _LACS_plot.Line_2_terminator_val_y_2 0.92 _LACS_plot.Y_axis_chem_shift_offset 0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 GLU -9.04 0.66 0 168 GLN 0.36 4.14 0 10 GLN -7.40 -0.10 1 11 PHE -0.77 0.40 1 12 HIS 0.53 0.96 1 13 SER 3.73 0.91 1 14 VAL 4.44 -1.65 1 15 HIS -4.75 1.16 1 17 ASP 2.86 0.48 1 18 ASN 1.32 -2.51 1 19 ILE -3.56 -0.59 1 20 ARG -4.06 -0.70 1 21 ILE -2.23 -0.38 1 26 THR 0.09 -2.04 1 27 LEU -3.88 -3.77 1 28 ALA -4.15 -2.92 1 29 ARG -6.02 -1.19 1 30 ARG -1.33 0.14 1 31 PHE -0.76 -2.08 1 32 GLU -4.49 -2.87 1 33 SER -0.77 0.04 1 34 PHE -2.38 -3.48 1 36 ARG 5.03 0.01 1 37 ALA -4.04 -1.46 1 38 ILE 3.30 -1.59 1 39 THR -5.85 -2.67 1 40 PHE -7.59 1.06 1 41 SER -1.01 1.59 1 42 ALA 1.73 -0.61 1 43 ARG -2.37 -2.71 1 45 VAL -3.92 -1.49 1 46 ARG -2.07 1.57 1 47 ILE 4.04 1.79 1 48 ASN 4.53 -1.39 1 49 GLU -0.66 -1.43 1 50 ARG 2.13 -1.39 1 51 ILE 1.11 -1.10 1 53 VAL -5.51 -3.13 1 54 LYS -5.47 0.62 1 55 PHE 1.95 -1.79 1 56 ALA 0.30 -0.56 1 57 GLU -4.39 -2.43 1 58 ILE -6.03 -0.90 1 59 SER -3.58 -1.04 1 60 ASN 0.06 0.60 1 61 ASN 1.76 -1.29 1 62 TRP -3.67 -1.99 1 63 ASN -2.56 -0.69 1 66 ILE 0.89 -2.15 1 67 ARG -3.24 -1.07 1 68 PHE -5.58 -3.31 1 70 PHE -7.50 -2.07 1 71 THR -5.17 -3.05 1 72 SER -1.27 -0.54 1 73 ASN -2.44 -4.80 1 74 ASP -3.02 1.54 1 76 VAL 4.81 2.54 1 77 THR 1.17 0.53 1 78 LEU -1.14 -0.55 1 79 GLU 1.91 0.46 1 81 THR -1.82 0.52 1 82 LEU 1.10 -0.32 1 84 LYS 3.23 -0.37 1 85 TYR -7.19 -0.88 1 86 ALA 1.83 -0.03 1 89 ASP 5.82 2.33 1 90 LEU 3.27 0.07 1 91 THR 4.88 0.57 1 92 ASN 0.49 0.40 1 93 ARG -0.18 -0.76 1 96 PHE -3.77 -2.30 1 97 TRP -1.82 -2.54 1 98 ALA -1.23 -3.81 1 99 LYS -6.18 -3.09 1 100 ALA -0.37 -1.36 1 101 LEU -4.02 -1.40 1 102 HIS 2.59 3.21 1 103 GLU 4.24 2.65 1 104 GLN 4.14 0.73 1 105 TYR -1.24 0.73 1 107 GLU -5.27 -1.36 1 108 LYS 2.83 -0.08 1 109 ASP 5.97 -0.60 1 110 ASN 0.45 -0.63 1 111 ILE -2.67 -0.09 1 112 LEU -4.24 -2.94 1 113 TYR -7.36 -1.87 1 114 TYR -3.30 -2.99 1 115 TYR -3.44 -4.18 1 116 VAL -5.95 -2.38 1 117 ASN -3.79 2.02 1 119 ALA -0.67 0.60 1 121 ASP -1.44 -1.43 1 122 VAL -1.00 -1.84 1 123 ILE -1.94 -2.00 1 124 TYR -9.25 -2.79 1 126 ILE -4.96 0.49 1 127 ASN 4.45 -0.52 1 128 ASN 2.20 -1.26 1 129 GLU -3.28 -2.07 1 130 GLU 1.06 0.15 1 131 LYS -0.60 0.16 1 133 VAL 0.02 1.31 1 134 ILE -3.20 -3.16 1 135 LEU -7.69 -3.72 1 136 THR -3.98 -0.82 1 138 ILE 4.03 -0.98 1 139 ASP -0.20 -1.09 1 140 THR 0.98 0.91 1 141 ARG 2.34 0.50 1 142 SER -2.58 -1.12 1 143 LEU -0.67 -1.01 1 144 LEU -7.36 -3.08 1 145 TRP -2.36 1.65 1 146 THR 0.58 -1.78 1 147 VAL -4.76 -2.53 1 148 ILE -3.05 -1.39 1 149 ASP -4.73 0.64 1 153 ASN 2.96 0.86 1 155 THR 0.24 0.37 1 157 ILE -5.30 -4.19 1 159 PHE -2.21 0.81 1 160 LEU -4.05 -1.13 1 161 ASP -0.33 1.06 1 162 SER 2.28 1.02 1 163 ARG 3.17 1.28 1 164 ILE 1.41 0.25 1 165 TYR 1.08 -0.54 1 166 MET 0.32 -0.94 1 167 TYR 0.26 -1.13 1 stop_ save_