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 bmr7081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.09 _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 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 9.06 _LACS_plot.Line_2_terminator_val_y_2 6.21 _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 49 THR -3.22 -4.44 0 107 GLU 9.06 7.50 0 10 GLU 1.63 1.25 1 11 LEU 2.26 1.57 1 12 ARG 3.41 1.72 1 13 ASN 2.32 1.38 1 14 ARG -1.96 -0.53 1 15 THR 0.38 -0.14 1 17 SER 3.78 2.68 1 18 ASP -1.06 0.49 1 19 VAL 1.95 1.38 1 20 LYS -0.26 0.54 1 21 GLU -5.79 -2.11 1 22 LEU -4.87 -0.87 1 23 VAL 0.78 -0.10 1 24 LEU -2.05 -2.43 1 25 ASP 0.04 0.34 1 26 ASN 3.61 2.36 1 28 LYS -2.37 -0.95 1 29 SER 0.00 -0.22 1 35 GLU -4.39 -1.33 1 37 LEU -2.81 -1.31 1 38 THR -4.70 -1.92 1 39 ASP 1.49 0.85 1 40 GLU 0.17 1.03 1 41 PHE 4.09 0.57 1 42 GLU -0.02 1.47 1 43 GLU -2.32 -2.39 1 44 LEU 0.47 1.65 1 45 GLU -2.84 0.53 1 46 PHE -4.90 -3.10 1 47 LEU -5.56 -2.19 1 48 SER -3.16 -2.18 1 50 ILE 0.82 0.92 1 51 ASN 3.00 1.12 1 52 VAL -1.85 -2.10 1 54 LEU -0.55 0.32 1 55 THR -0.73 -0.74 1 56 SER -2.31 -1.33 1 57 ILE -0.58 -1.11 1 58 SER 4.07 3.28 1 59 ASN 0.18 -0.76 1 60 LEU 0.08 1.03 1 62 LYS 2.27 1.50 1 63 LEU -3.18 -1.68 1 64 ASN 3.03 3.65 1 65 LYS -0.22 -0.67 1 66 LEU 2.23 2.79 1 67 LYS -2.41 0.57 1 68 LYS -3.13 -0.46 1 69 LEU -4.91 -1.54 1 70 GLU -2.43 -0.31 1 71 LEU -3.67 -2.49 1 72 SER 1.34 1.42 1 73 GLU 3.39 -0.12 1 74 ASN -3.33 0.42 1 75 ARG -1.27 -1.71 1 76 ILE 2.39 1.24 1 77 SER -3.85 -0.96 1 79 ASP 2.27 1.32 1 80 LEU 4.71 1.83 1 81 GLU 4.85 3.22 1 82 VAL 3.20 2.32 1 83 LEU 3.89 2.57 1 84 ALA 2.30 1.78 1 85 GLU 0.19 1.06 1 86 LYS 0.19 0.05 1 89 ASN 0.17 0.17 1 90 LEU 1.03 2.53 1 91 LYS -2.76 0.54 1 92 HIS -5.09 -0.82 1 93 LEU -5.89 -1.89 1 94 ASN -1.69 -1.07 1 95 LEU -3.66 -1.85 1 96 SER 3.67 2.65 1 98 ASN -1.11 -0.18 1 99 LYS 0.72 -1.61 1 100 ILE 0.15 -1.94 1 101 LYS -0.30 1.75 1 102 ASP -4.34 -1.54 1 103 LEU 3.22 1.90 1 104 SER 4.48 3.17 1 105 THR 5.45 4.54 1 106 ILE 0.10 -0.12 1 109 LEU 3.76 0.88 1 110 LYS 3.70 3.25 1 111 LYS 0.19 0.36 1 112 LEU 0.05 -1.58 1 113 GLU 2.73 2.97 1 114 ASN -2.13 -0.88 1 115 LEU 1.15 1.40 1 116 LYS -2.77 -0.10 1 117 SER -2.70 -1.28 1 118 LEU -7.09 -2.16 1 119 ASP -4.07 -0.96 1 120 LEU -2.89 -2.02 1 121 PHE 2.20 1.81 1 122 ASN 3.53 1.96 1 124 GLU 3.50 3.43 1 125 VAL 2.57 1.38 1 126 THR 1.45 0.86 1 127 ASN -0.36 -0.05 1 128 LEU -0.46 0.10 1 129 ASN 2.32 2.00 1 130 ALA 2.89 0.18 1 131 TYR 2.45 3.17 1 132 ARG 5.68 4.30 1 133 GLU 3.55 3.17 1 134 ASN 3.42 3.10 1 135 VAL 8.81 5.74 1 136 PHE 4.12 2.79 1 137 LYS 2.52 2.38 1 138 LEU 0.07 1.88 1 139 LEU -1.80 -2.42 1 141 GLN 1.91 0.15 1 142 VAL 2.37 1.49 1 143 MET -1.28 0.65 1 144 TYR -3.52 -1.24 1 145 LEU -6.50 -2.50 1 146 ASP 3.35 1.77 1 148 TYR -5.97 -0.56 1 149 ASP -2.55 -1.32 1 150 ARG 3.91 2.84 1 151 ASP -0.49 -0.19 1 152 ASN 3.93 2.05 1 153 LYS -0.81 -0.95 1 154 GLU -0.09 0.15 1 155 ALA 1.03 -0.05 1 157 ASP 0.42 0.40 1 158 SER 0.08 0.25 1 159 ASP 0.31 0.29 1 160 VAL 0.75 0.50 1 161 GLU 0.11 0.35 1 163 TYR 0.39 0.17 1 164 VAL 1.24 1.61 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 4.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 9.06 _LACS_plot.Line_2_terminator_val_y_2 -2.85 _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 49 THR -3.22 -1.22 0 107 GLU 9.06 -1.56 0 10 GLU 1.63 -0.38 1 11 LEU 2.26 -0.69 1 12 ARG 3.41 -1.69 1 13 ASN 2.32 -0.94 1 14 ARG -1.96 1.43 1 15 THR 0.38 -0.52 1 17 SER 3.78 -1.10 1 18 ASP -1.06 1.55 1 19 VAL 1.95 -0.57 1 20 LYS -0.26 0.80 1 21 GLU -5.79 3.68 1 22 LEU -4.87 4.00 1 23 VAL 0.78 -0.88 1 24 LEU -2.05 -0.38 1 25 ASP 0.04 0.30 1 26 ASN 3.61 -1.25 1 28 LYS -2.37 1.42 1 29 SER 0.00 -0.22 1 35 GLU -4.39 3.06 1 37 LEU -2.81 1.50 1 38 THR -4.70 2.78 1 39 ASP 1.49 -0.64 1 40 GLU 0.17 0.86 1 41 PHE 4.09 -3.52 1 42 GLU -0.02 1.49 1 43 GLU -2.32 -0.07 1 44 LEU 0.47 1.18 1 45 GLU -2.84 3.37 1 46 PHE -4.90 1.80 1 47 LEU -5.56 3.37 1 48 SER -3.16 0.98 1 50 ILE 0.82 0.10 1 51 ASN 3.00 -1.88 1 52 VAL -1.85 -0.25 1 54 LEU -0.55 0.87 1 55 THR -0.73 -0.01 1 56 SER -2.31 0.98 1 57 ILE -0.58 -0.53 1 58 SER 4.07 -0.79 1 59 ASN 0.18 -0.94 1 60 LEU 0.08 0.95 1 62 LYS 2.27 -0.77 1 63 LEU -3.18 1.50 1 64 ASN 3.03 0.62 1 65 LYS -0.22 -0.45 1 66 LEU 2.23 0.56 1 67 LYS -2.41 2.98 1 68 LYS -3.13 2.67 1 69 LEU -4.91 3.37 1 70 GLU -2.43 2.12 1 71 LEU -3.67 1.18 1 72 SER 1.34 0.08 1 73 GLU 3.39 -3.51 1 74 ASN -3.33 3.75 1 75 ARG -1.27 -0.44 1 76 ILE 2.39 -1.15 1 77 SER -3.85 2.89 1 79 ASP 2.27 -0.95 1 80 LEU 4.71 -2.88 1 81 GLU 4.85 -1.63 1 82 VAL 3.20 -0.88 1 83 LEU 3.89 -1.32 1 84 ALA 2.30 -0.52 1 85 GLU 0.19 0.87 1 86 LYS 0.19 -0.14 1 89 ASN 0.17 0.00 1 90 LEU 1.03 1.50 1 91 LYS -2.76 3.30 1 92 HIS -5.09 4.27 1 93 LEU -5.89 4.00 1 94 ASN -1.69 0.62 1 95 LEU -3.66 1.81 1 96 SER 3.67 -1.02 1 98 ASN -1.11 0.93 1 99 LYS 0.72 -2.33 1 100 ILE 0.15 -2.09 1 101 LYS -0.30 2.05 1 102 ASP -4.34 2.80 1 103 LEU 3.22 -1.32 1 104 SER 4.48 -1.31 1 105 THR 5.45 -0.91 1 106 ILE 0.10 -0.22 1 109 LEU 3.76 -2.88 1 110 LYS 3.70 -0.45 1 111 LYS 0.19 0.17 1 112 LEU 0.05 -1.63 1 113 GLU 2.73 0.24 1 114 ASN -2.13 1.25 1 115 LEU 1.15 0.25 1 116 LYS -2.77 2.67 1 117 SER -2.70 1.42 1 118 LEU -7.09 4.93 1 119 ASP -4.07 3.11 1 120 LEU -2.89 0.87 1 121 PHE 2.20 -0.39 1 122 ASN 3.53 -1.57 1 124 GLU 3.50 -0.07 1 125 VAL 2.57 -1.19 1 126 THR 1.45 -0.59 1 127 ASN -0.36 0.31 1 128 LEU -0.46 0.56 1 129 ASN 2.32 -0.32 1 130 ALA 2.89 -2.71 1 131 TYR 2.45 0.72 1 132 ARG 5.68 -1.38 1 133 GLU 3.55 -0.38 1 134 ASN 3.42 -0.32 1 135 VAL 8.81 -3.07 1 136 PHE 4.12 -1.33 1 137 LYS 2.52 -0.14 1 138 LEU 0.07 1.81 1 139 LEU -1.80 -0.62 1 141 GLN 1.91 -1.76 1 142 VAL 2.37 -0.88 1 143 MET -1.28 1.93 1 144 TYR -3.52 2.28 1 145 LEU -6.50 4.00 1 146 ASP 3.35 -1.58 1 148 TYR -5.97 5.41 1 149 ASP -2.55 1.23 1 150 ARG 3.91 -1.07 1 151 ASP -0.49 0.30 1 152 ASN 3.93 -1.88 1 153 LYS -0.81 -0.14 1 154 GLU -0.09 0.24 1 155 ALA 1.03 -1.08 1 157 ASP 0.42 -0.02 1 158 SER 0.08 0.17 1 159 ASP 0.31 -0.02 1 160 VAL 0.75 -0.25 1 161 GLU 0.11 0.24 1 163 TYR 0.39 -0.22 1 164 VAL 1.24 0.37 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 0.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 9.06 _LACS_plot.Line_2_terminator_val_y_2 -0.97 _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 126 THR 1.45 -1.94 0 10 GLU 1.63 -0.23 1 11 LEU 2.26 -0.34 1 12 ARG 3.41 -0.38 1 13 ASN 2.32 -0.33 1 14 ARG -1.96 0.23 1 15 THR 0.38 0.12 1 17 SER 3.78 -0.37 1 18 ASP -1.06 0.07 1 19 VAL 1.95 -0.28 1 20 LYS -0.26 0.57 1 21 GLU -5.79 1.12 1 22 LEU -4.87 0.28 1 23 VAL 0.78 0.06 1 25 ASP 0.04 -0.14 1 26 ASN 3.61 -0.22 1 28 LYS -2.37 0.33 1 29 SER 0.00 -0.04 1 35 GLU -4.39 0.31 1 37 LEU -2.81 -0.07 1 38 THR -4.70 0.49 1 39 ASP 1.49 0.00 1 40 GLU 0.17 -0.13 1 41 PHE 4.09 -0.28 1 42 GLU -0.02 -0.14 1 43 GLU -2.32 0.21 1 44 LEU 0.47 -0.23 1 45 GLU -2.84 0.78 1 46 PHE -4.90 1.20 1 47 LEU -5.56 0.64 1 48 SER -3.16 0.70 1 49 THR -3.22 -0.07 1 50 ILE 0.82 0.09 1 51 ASN 3.00 0.15 1 52 VAL -1.85 1.10 1 54 LEU -0.55 -0.26 1 55 THR -0.73 -0.02 1 56 SER -2.31 0.41 1 57 ILE -0.58 0.58 1 58 SER 4.07 -0.41 1 59 ASN 0.18 0.03 1 60 LEU 0.08 -0.69 1 62 LYS 2.27 -0.10 1 63 LEU -3.18 0.37 1 64 ASN 3.03 -0.42 1 65 LYS -0.22 0.09 1 66 LEU 2.23 -0.19 1 67 LYS -2.41 0.52 1 68 LYS -3.13 1.15 1 69 LEU -4.91 1.07 1 70 GLU -2.43 0.41 1 71 LEU -3.67 0.13 1 72 SER 1.34 0.11 1 73 GLU 3.39 -0.35 1 74 ASN -3.33 0.39 1 75 ARG -1.27 0.31 1 76 ILE 2.39 -0.48 1 77 SER -3.85 0.51 1 79 ASP 2.27 0.02 1 80 LEU 4.71 -0.35 1 81 GLU 4.85 -0.33 1 82 VAL 3.20 -0.17 1 83 LEU 3.89 -0.43 1 84 ALA 2.30 -0.42 1 85 GLU 0.19 -0.16 1 86 LYS 0.19 0.01 1 89 ASN 0.17 0.17 1 90 LEU 1.03 -0.36 1 91 LYS -2.76 0.94 1 92 HIS -5.09 0.94 1 93 LEU -5.89 0.94 1 94 ASN -1.69 0.67 1 95 LEU -3.66 -0.12 1 96 SER 3.67 -0.14 1 98 ASN -1.11 0.65 1 99 LYS 0.72 0.36 1 100 ILE 0.15 0.02 1 101 LYS -0.30 -0.11 1 102 ASP -4.34 0.23 1 103 LEU 3.22 -0.37 1 104 SER 4.48 -0.27 1 105 THR 5.45 -0.33 1 106 ILE 0.10 0.15 1 107 GLU 9.06 -0.68 1 109 LEU 3.76 -0.36 1 110 LYS 3.70 -0.40 1 111 LYS 0.19 -0.15 1 112 LEU 0.05 0.26 1 113 GLU 2.73 -0.49 1 114 ASN -2.13 0.11 1 115 LEU 1.15 -0.21 1 116 LYS -2.77 0.52 1 117 SER -2.70 1.34 1 118 LEU -7.09 1.06 1 119 ASP -4.07 1.02 1 120 LEU -2.89 -0.08 1 121 PHE 2.20 -0.41 1 122 ASN 3.53 -0.49 1 124 GLU 3.50 -0.13 1 125 VAL 2.57 -0.30 1 127 ASN -0.36 -0.05 1 128 LEU -0.46 -0.15 1 129 ASN 2.32 -0.32 1 130 ALA 2.89 -0.14 1 131 TYR 2.45 -0.49 1 132 ARG 5.68 -1.59 1 133 GLU 3.55 -0.37 1 134 ASN 3.42 -0.28 1 135 VAL 8.81 -0.78 1 136 PHE 4.12 -0.35 1 137 LYS 2.52 -0.26 1 138 LEU 0.07 -0.26 1 139 LEU -1.80 0.21 1 141 GLN 1.91 -0.05 1 142 VAL 2.37 -0.28 1 143 MET -1.28 -0.12 1 144 TYR -3.52 0.27 1 145 LEU -6.50 1.23 1 146 ASP 3.35 -0.03 1 148 TYR -5.97 0.87 1 149 ASP -2.55 0.91 1 150 ARG 3.91 -0.81 1 151 ASP -0.49 0.16 1 152 ASN 3.93 -0.39 1 153 LYS -0.81 0.39 1 154 GLU -0.09 -0.52 1 155 ALA 1.03 -0.72 1 157 ASP 0.42 -0.25 1 158 SER 0.08 -0.19 1 159 ASP 0.31 -0.03 1 160 VAL 0.75 -0.12 1 161 GLU 0.11 -0.14 1 163 TYR 0.39 0.00 1 164 VAL 1.24 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 -2.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.09 _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 8.80 _LACS_plot.Line_2_terminator_val_y_2 1.80 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 LEU -5.56 -154.64 0 10 GLU 1.63 2.16 1 11 LEU 2.26 0.75 1 12 ARG 3.41 -0.25 1 13 ASN 2.32 -0.82 1 14 ARG -1.96 -1.26 1 17 SER 3.78 -1.31 1 18 ASP -1.06 0.18 1 19 VAL 1.95 -1.54 1 20 LYS -0.26 0.76 1 21 GLU -5.79 -2.72 1 22 LEU -4.87 -4.38 1 23 VAL 0.78 -1.30 1 24 LEU -2.05 -2.76 1 25 ASP 0.04 0.13 1 28 LYS -2.37 -0.18 1 35 GLU -4.39 -1.88 1 37 LEU -2.81 -2.07 1 38 THR -4.70 -0.92 1 39 ASP 1.49 0.76 1 40 GLU 0.17 1.85 1 41 PHE 4.09 0.88 1 42 GLU -0.02 0.29 1 43 GLU -2.32 -0.76 1 44 LEU 0.47 -1.74 1 45 GLU -2.84 0.84 1 46 PHE -4.90 -4.12 1 48 SER -3.16 -0.48 1 49 THR -3.22 -0.40 1 54 LEU -0.55 0.00 1 57 ILE -0.58 -0.64 1 58 SER 4.07 -0.78 1 59 ASN 0.18 -0.23 1 63 LEU -3.18 0.31 1 64 ASN 3.03 1.10 1 65 LYS -0.22 -0.30 1 66 LEU 2.23 -1.03 1 67 LYS -2.41 0.48 1 68 LYS -3.13 -4.11 1 69 LEU -4.91 -4.19 1 70 GLU -2.43 -2.55 1 71 LEU -3.67 0.34 1 72 SER 1.34 -1.91 1 73 GLU 3.39 -0.91 1 74 ASN -3.33 -1.76 1 75 ARG -1.27 -1.05 1 76 ILE 2.39 0.16 1 77 SER -3.85 -0.74 1 79 ASP 2.27 0.27 1 80 LEU 4.71 1.38 1 81 GLU 4.85 1.14 1 82 VAL 3.20 1.04 1 83 LEU 3.89 -0.06 1 84 ALA 2.30 0.18 1 85 GLU 0.19 1.39 1 86 LYS 0.19 -0.19 1 89 ASN 0.17 -1.15 1 90 LEU 1.03 -2.13 1 91 LYS -2.76 0.48 1 92 HIS -5.09 -1.28 1 93 LEU -5.89 -4.47 1 94 ASN -1.69 -0.64 1 95 LEU -3.66 -1.58 1 96 SER 3.67 0.82 1 98 ASN -1.11 -0.36 1 99 LYS 0.72 -2.12 1 100 ILE 0.15 -1.14 1 101 LYS -0.30 -2.11 1 102 ASP -4.34 -1.37 1 103 LEU 3.22 1.89 1 104 SER 4.48 2.84 1 105 THR 5.45 -0.05 1 106 ILE 0.10 -0.87 1 109 LEU 3.76 0.49 1 110 LYS 3.70 0.33 1 111 LYS 0.19 -0.63 1 112 LEU 0.05 -0.47 1 113 GLU 2.73 0.36 1 114 ASN -2.13 -1.22 1 115 LEU 1.15 -3.60 1 116 LYS -2.77 1.17 1 117 SER -2.70 -3.55 1 118 LEU -7.09 -4.31 1 119 ASP -4.07 -1.37 1 120 LEU -2.89 -2.75 1 121 PHE 2.20 0.40 1 122 ASN 3.53 0.38 1 124 GLU 3.50 1.55 1 125 VAL 2.57 -2.80 1 126 THR 1.45 0.34 1 127 ASN -0.36 0.64 1 128 LEU -0.46 0.09 1 129 ASN 2.32 0.46 1 130 ALA 2.89 -1.88 1 131 TYR 2.45 -0.43 1 132 ARG 5.68 1.26 1 133 GLU 3.55 3.25 1 134 ASN 3.42 3.23 1 135 VAL 8.81 0.84 1 136 PHE 4.12 2.80 1 137 LYS 2.52 1.15 1 141 GLN 1.91 -0.05 1 142 VAL 2.37 -1.07 1 143 MET -1.28 -0.67 1 144 TYR -3.52 -2.71 1 145 LEU -6.50 -0.88 1 146 ASP 3.35 0.23 1 148 TYR -5.97 1.04 1 149 ASP -2.55 2.17 1 150 ARG 3.91 1.14 1 151 ASP -0.49 -1.26 1 152 ASN 3.93 -1.31 1 153 LYS -0.81 0.26 1 154 GLU -0.09 0.07 1 157 ASP 0.42 0.08 1 158 SER 0.08 -0.36 1 159 ASP 0.31 0.08 1 160 VAL 0.75 0.04 1 161 GLU 0.11 0.16 1 163 TYR 0.39 -1.05 1 stop_ save_