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 bmr17577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -1.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.30 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 7.38 _LACS_plot.Y_axis_chem_shift_offset -0.95 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 MET 1.40 -1.40 0 126 THR 9.20 7.10 0 10 ALA 0.20 1.50 1 12 LYS 0.20 2.10 1 13 TRP -5.60 0.20 1 14 TYR -1.80 0.90 1 15 VAL 1.00 0.50 1 16 VAL -0.70 0.00 1 17 ALA -4.40 0.60 1 18 LEU -8.50 -1.10 1 19 ALA -3.80 0.20 1 20 SER -1.50 -1.10 1 21 ASN -2.00 -0.60 1 22 THR -0.60 1.40 1 23 GLU 4.30 4.70 1 24 PHE 4.10 5.20 1 25 PHE 4.30 5.10 1 26 LEU 4.00 3.60 1 27 ARG 2.00 3.20 1 28 GLU -0.90 0.10 1 29 LYS 5.40 3.70 1 30 ASP 3.50 3.00 1 31 LYS -0.30 0.80 1 32 MET 2.00 2.60 1 33 LYS -6.10 -0.10 1 34 MET 1.30 4.10 1 35 ALA -6.60 -1.90 1 36 MET -6.00 0.70 1 37 ALA -6.60 -1.30 1 38 ARG -4.50 -0.80 1 39 ILE -3.50 -0.90 1 40 SER -2.90 -0.40 1 41 PHE 1.30 2.40 1 42 LEU -1.00 0.40 1 44 GLU 2.10 3.00 1 45 ASP -1.00 0.60 1 46 GLU -5.40 -0.30 1 47 LEU -3.50 0.20 1 48 LYS -2.90 -0.20 1 49 VAL -3.30 -0.90 1 50 SER -2.30 -1.00 1 51 TYR -3.50 0.30 1 52 ALA -2.20 0.50 1 53 VAL -4.40 -0.50 1 55 LYS -0.40 0.40 1 57 ASN 0.50 0.90 1 60 ARG -1.00 0.50 1 61 LYS -3.10 -0.10 1 62 TRP -1.50 0.20 1 63 GLU -6.60 -1.40 1 64 THR -1.70 1.20 1 65 THR -0.80 0.50 1 66 PHE -5.60 0.40 1 67 LYS -4.90 -0.70 1 68 LYS 0.30 2.50 1 69 THR -0.90 0.10 1 70 SER 0.40 1.00 1 71 ASP 0.00 1.90 1 72 ASP 0.90 1.90 1 74 GLU -1.90 -1.20 1 75 VAL -0.80 0.30 1 76 TYR -5.00 -0.10 1 77 TYR -5.70 0.10 1 78 SER -3.30 -2.70 1 79 GLU 2.90 3.50 1 80 GLU 2.80 3.40 1 81 ALA -1.60 -0.10 1 82 LYS 3.80 1.00 1 83 LYS -7.70 -0.70 1 84 LYS -5.40 -0.50 1 85 VAL -4.60 -0.80 1 86 GLU -6.20 -1.90 1 87 VAL 2.20 1.30 1 88 LEU 0.10 1.90 1 89 ASP -3.80 1.70 1 90 THR 0.30 -0.30 1 91 ASP -1.10 -0.30 1 92 TYR 6.60 4.40 1 93 LYS -1.40 3.30 1 94 SER -2.10 2.90 1 95 TYR -3.10 0.70 1 96 ALA -3.60 1.00 1 97 VAL 0.30 1.00 1 98 ILE -5.80 -1.90 1 99 TYR -3.60 -0.20 1 100 ALA -6.90 -1.10 1 101 THR -3.10 0.20 1 102 ARG -5.70 -0.50 1 103 VAL -0.30 0.20 1 104 LYS -3.50 -0.20 1 107 ARG -2.90 -0.60 1 108 THR 2.30 2.30 1 109 LEU -4.90 -0.80 1 110 HIS -5.20 0.30 1 111 MET -3.70 1.20 1 112 MET -4.60 -0.30 1 113 ARG -7.70 0.00 1 114 LEU -2.50 -1.00 1 115 TYR -4.00 0.10 1 116 SER -5.60 -1.70 1 117 ARG 0.70 2.30 1 118 SER -4.10 -1.60 1 120 GLU -0.60 -0.80 1 121 VAL -1.70 -0.50 1 122 SER -0.30 0.90 1 124 ALA 3.30 3.30 1 125 ALA 3.00 3.10 1 127 ALA 4.10 3.70 1 128 ILE 3.90 4.50 1 129 PHE 4.30 5.60 1 130 ARG 5.40 5.10 1 131 LYS 4.20 4.30 1 132 LEU 3.40 3.50 1 133 ALA 5.70 3.50 1 135 GLU 2.20 2.70 1 136 ARG 1.80 -0.20 1 137 ASN 4.60 2.90 1 138 TYR 1.00 -0.20 1 139 THR -2.00 -0.40 1 140 ASP 4.10 4.80 1 141 GLU 2.30 2.50 1 142 MET 1.20 1.70 1 143 VAL -1.60 0.00 1 144 ALA -4.50 -1.00 1 146 LEU -0.30 0.80 1 148 ARG 0.80 2.30 1 149 GLN -0.10 0.20 1 150 GLU -2.80 -0.30 1 151 GLU 0.60 2.90 1 153 THR -4.70 -2.00 1 154 VAL -0.40 -0.20 1 155 ASP 0.30 1.50 1 156 GLU -0.60 0.90 1 157 VAL 0.90 2.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 7.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.70 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 -1.82 _LACS_plot.Y_axis_chem_shift_offset -0.95 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 MET 1.40 -2.80 0 126 THR 9.20 -2.10 0 10 ALA 0.20 1.30 1 12 LYS 0.20 1.90 1 13 TRP -5.60 5.80 1 14 TYR -1.80 2.70 1 15 VAL 1.00 -0.50 1 16 VAL -0.70 0.70 1 17 ALA -4.40 5.00 1 18 LEU -8.50 7.40 1 19 ALA -3.80 4.00 1 20 SER -1.50 0.40 1 21 ASN -2.00 1.40 1 22 THR -0.60 2.00 1 23 GLU 4.30 0.40 1 24 PHE 4.10 1.10 1 25 PHE 4.30 0.80 1 26 LEU 4.00 -0.40 1 27 ARG 2.00 1.20 1 28 GLU -0.90 1.00 1 29 LYS 5.40 -1.70 1 30 ASP 3.50 -0.50 1 31 LYS -0.30 1.10 1 32 MET 2.00 0.60 1 33 LYS -6.10 6.00 1 34 MET 1.30 2.80 1 35 ALA -6.60 4.70 1 36 MET -6.00 6.70 1 37 ALA -6.60 5.30 1 38 ARG -4.50 3.70 1 39 ILE -3.50 2.60 1 40 SER -2.90 2.50 1 41 PHE 1.30 1.10 1 42 LEU -1.00 1.40 1 44 GLU 2.10 0.90 1 45 ASP -1.00 1.60 1 46 GLU -5.40 5.10 1 47 LEU -3.50 3.70 1 48 LYS -2.90 2.70 1 49 VAL -3.30 2.40 1 50 SER -2.30 1.30 1 51 TYR -3.50 3.80 1 52 ALA -2.20 2.70 1 53 VAL -4.40 3.90 1 55 LYS -0.40 0.80 1 57 ASN 0.50 0.40 1 60 ARG -1.00 1.50 1 61 LYS -3.10 3.00 1 62 TRP -1.50 1.70 1 63 GLU -6.60 5.20 1 64 THR -1.70 2.90 1 65 THR -0.80 1.30 1 66 PHE -5.60 6.00 1 67 LYS -4.90 4.20 1 68 LYS 0.30 2.20 1 69 THR -0.90 1.00 1 70 SER 0.40 0.60 1 71 ASP 0.00 1.90 1 72 ASP 0.90 1.00 1 74 GLU -1.90 0.70 1 75 VAL -0.80 1.10 1 76 TYR -5.00 4.90 1 77 TYR -5.70 5.80 1 78 SER -3.30 0.60 1 79 GLU 2.90 0.60 1 80 GLU 2.80 0.60 1 81 ALA -1.60 1.50 1 82 LYS 3.80 -2.80 1 83 LYS -7.70 7.00 1 84 LYS -5.40 4.90 1 85 VAL -4.60 3.80 1 86 GLU -6.20 4.30 1 87 VAL 2.20 -0.90 1 88 LEU 0.10 1.80 1 89 ASP -3.80 5.50 1 90 THR 0.30 -0.60 1 91 ASP -1.10 0.80 1 92 TYR 6.60 -2.20 1 93 LYS -1.40 4.70 1 94 SER -2.10 5.00 1 95 TYR -3.10 3.80 1 96 ALA -3.60 4.60 1 97 VAL 0.30 0.70 1 98 ILE -5.80 3.90 1 99 TYR -3.60 3.40 1 100 ALA -6.90 5.80 1 101 THR -3.10 3.30 1 102 ARG -5.70 5.20 1 103 VAL -0.30 0.50 1 104 LYS -3.50 3.30 1 107 ARG -2.90 2.30 1 108 THR 2.30 0.00 1 109 LEU -4.90 4.10 1 110 HIS -5.20 5.50 1 111 MET -3.70 4.90 1 112 MET -4.60 4.30 1 113 ARG -7.70 7.70 1 114 LEU -2.50 1.50 1 115 TYR -4.00 4.10 1 116 SER -5.60 3.90 1 117 ARG 0.70 1.60 1 118 SER -4.10 2.50 1 120 GLU -0.60 -0.20 1 121 VAL -1.70 1.20 1 122 SER -0.30 1.20 1 124 ALA 3.30 0.00 1 125 ALA 3.00 0.10 1 127 ALA 4.10 -0.40 1 128 ILE 3.90 0.60 1 129 PHE 4.30 1.30 1 130 ARG 5.40 -0.30 1 131 LYS 4.20 0.10 1 132 LEU 3.40 0.10 1 133 ALA 5.70 -2.20 1 135 GLU 2.20 0.50 1 136 ARG 1.80 -2.00 1 137 ASN 4.60 -1.70 1 138 TYR 1.00 -1.20 1 139 THR -2.00 1.60 1 140 ASP 4.10 0.70 1 141 GLU 2.30 0.20 1 142 MET 1.20 0.50 1 143 VAL -1.60 1.60 1 144 ALA -4.50 3.50 1 146 LEU -0.30 1.10 1 148 ARG 0.80 1.50 1 149 GLN -0.10 0.30 1 150 GLU -2.80 2.50 1 151 GLU 0.60 2.30 1 153 THR -4.70 2.70 1 154 VAL -0.40 0.20 1 155 ASP 0.30 1.20 1 156 GLU -0.60 1.50 1 157 VAL 0.90 1.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _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 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 -1.11 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 THR 9.20 -0.20 0 10 ALA 0.20 -0.25 1 12 LYS 0.20 0.51 1 13 TRP -5.60 -0.03 1 14 TYR -1.80 0.50 1 15 VAL 1.00 -0.08 1 16 VAL -0.70 0.53 1 17 ALA -4.40 0.95 1 18 LEU -8.50 1.10 1 19 ALA -3.80 1.11 1 20 SER -1.50 -0.58 1 21 ASN -2.00 0.48 1 22 THR -0.60 0.07 1 23 GLU 4.30 0.40 1 24 PHE 4.10 -0.64 1 25 PHE 4.30 -0.78 1 26 LEU 4.00 -0.61 1 27 ARG 2.00 -0.23 1 28 GLU -0.90 0.01 1 29 LYS 5.40 -0.18 1 30 ASP 3.50 -0.25 1 31 LYS -0.30 0.07 1 32 MET 2.00 0.04 1 33 LYS -6.10 0.38 1 34 MET 1.30 -0.40 1 35 ALA -6.60 0.94 1 36 MET -6.00 0.80 1 37 ALA -6.60 1.11 1 38 ARG -4.50 0.81 1 39 ILE -3.50 0.75 1 40 SER -2.90 0.16 1 41 PHE 1.30 0.03 1 42 LEU -1.00 0.29 1 44 GLU 2.10 -0.24 1 45 ASP -1.00 0.23 1 46 GLU -5.40 1.22 1 47 LEU -3.50 0.54 1 48 LYS -2.90 0.63 1 49 VAL -3.30 0.49 1 50 SER -2.30 0.39 1 51 TYR -3.50 0.30 1 52 ALA -2.20 0.55 1 53 VAL -4.40 0.33 1 55 LYS -0.40 0.32 1 57 ASN 0.50 -0.02 1 60 ARG -1.00 0.24 1 61 LYS -3.10 1.20 1 62 TRP -1.50 0.20 1 63 GLU -6.60 1.26 1 64 THR -1.70 0.25 1 65 THR -0.80 0.91 1 66 PHE -5.60 0.21 1 67 LYS -4.90 1.20 1 68 LYS 0.30 0.56 1 69 THR -0.90 0.36 1 70 SER 0.40 -0.05 1 71 ASP 0.00 -0.26 1 72 ASP 0.90 -0.19 1 74 GLU -1.90 0.42 1 75 VAL -0.80 0.92 1 76 TYR -5.00 0.69 1 77 TYR -5.70 1.33 1 78 SER -3.30 0.36 1 79 GLU 2.90 -0.37 1 80 GLU 2.80 -0.35 1 81 ALA -1.60 0.07 1 82 LYS 3.80 -0.45 1 83 LYS -7.70 1.12 1 84 LYS -5.40 1.36 1 85 VAL -4.60 0.86 1 86 GLU -6.20 0.97 1 87 VAL 2.20 0.05 1 88 LEU 0.10 0.05 1 89 ASP -3.80 0.14 1 90 THR 0.30 -0.55 1 91 ASP -1.10 0.21 1 92 TYR 6.60 -1.04 1 93 LYS -1.40 0.35 1 94 SER -2.10 0.35 1 95 TYR -3.10 1.60 1 96 ALA -3.60 0.23 1 97 VAL 0.30 0.90 1 98 ILE -5.80 0.88 1 99 TYR -3.60 0.71 1 100 ALA -6.90 1.40 1 101 THR -3.10 1.10 1 102 ARG -5.70 0.87 1 103 VAL -0.30 0.65 1 104 LYS -3.50 0.14 1 107 ARG -2.90 0.33 1 108 THR 2.30 0.14 1 109 LEU -4.90 0.39 1 110 HIS -5.20 1.31 1 111 MET -3.70 0.07 1 112 MET -4.60 1.19 1 113 ARG -7.70 0.71 1 114 LEU -2.50 0.69 1 115 TYR -4.00 1.25 1 116 SER -5.60 1.37 1 117 ARG 0.70 -0.66 1 118 SER -4.10 0.21 1 120 GLU -0.60 -0.09 1 121 VAL -1.70 0.02 1 122 SER -0.30 -0.03 1 124 ALA 3.30 -0.25 1 125 ALA 3.00 -0.89 1 127 ALA 4.10 -0.24 1 128 ILE 3.90 -0.43 1 129 PHE 4.30 -0.61 1 130 ARG 5.40 -0.78 1 131 LYS 4.20 -0.29 1 132 LEU 3.40 -0.41 1 133 ALA 5.70 -0.35 1 135 GLU 2.20 -0.30 1 136 ARG 1.80 -0.19 1 137 ASN 4.60 -0.59 1 138 TYR 1.00 0.74 1 139 THR -2.00 0.07 1 140 ASP 4.10 -0.38 1 141 GLU 2.30 -0.08 1 142 MET 1.20 0.01 1 143 VAL -1.60 0.67 1 144 ALA -4.50 0.49 1 145 MET 1.40 0.41 1 146 LEU -0.30 -0.14 1 148 ARG 0.80 -0.07 1 149 GLN -0.10 0.38 1 150 GLU -2.80 0.12 1 151 GLU 0.60 -0.09 1 153 THR -4.70 0.51 1 154 VAL -0.40 0.00 1 155 ASP 0.30 -0.15 1 156 GLU -0.60 -0.18 1 157 VAL 0.90 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 9.20 _LACS_plot.Line_2_terminator_val_y_2 2.36 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 THR 9.20 1.40 0 90 THR 0.30 -4.90 0 92 TYR 6.60 -2.00 0 157 VAL 0.90 4.40 0 10 ALA 0.20 -0.30 1 12 LYS 0.20 -0.70 1 13 TRP -5.60 -2.80 1 14 TYR -1.80 -0.50 1 15 VAL 1.00 -0.80 1 16 VAL -0.70 -0.40 1 17 ALA -4.40 -3.60 1 18 LEU -8.50 -1.50 1 19 ALA -3.80 -3.40 1 20 SER -1.50 -3.90 1 21 ASN -2.00 1.30 1 22 THR -0.60 0.10 1 23 GLU 4.30 2.20 1 24 PHE 4.10 0.10 1 25 PHE 4.30 0.70 1 26 LEU 4.00 1.60 1 27 ARG 2.00 2.10 1 28 GLU -0.90 1.60 1 29 LYS 5.40 1.30 1 30 ASP 3.50 0.70 1 31 LYS -0.30 0.60 1 32 MET 2.00 -0.10 1 33 LYS -6.10 -3.60 1 34 MET 1.30 -2.50 1 35 ALA -6.60 -1.70 1 36 MET -6.00 -3.70 1 37 ALA -6.60 -2.40 1 38 ARG -4.50 -1.40 1 39 ILE -3.50 -1.30 1 41 PHE 1.30 0.10 1 42 LEU -1.00 -1.20 1 44 GLU 2.10 0.60 1 45 ASP -1.00 -1.80 1 46 GLU -5.40 -1.80 1 47 LEU -3.50 -3.70 1 48 LYS -2.90 -2.30 1 49 VAL -3.30 -2.50 1 51 TYR -3.50 0.90 1 52 ALA -2.20 -3.00 1 53 VAL -4.40 -0.70 1 57 ASN 0.50 -0.30 1 60 ARG -1.00 -2.30 1 61 LYS -3.10 -0.70 1 62 TRP -1.50 -4.20 1 63 GLU -6.60 -1.10 1 64 THR -1.70 -2.90 1 65 THR -0.80 -1.00 1 66 PHE -5.60 -1.60 1 67 LYS -4.90 -0.10 1 68 LYS 0.30 0.80 1 69 THR -0.90 -0.10 1 70 SER 0.40 -0.10 1 71 ASP 0.00 -0.70 1 72 ASP 0.90 -0.40 1 74 GLU -1.90 -3.00 1 75 VAL -0.80 -2.20 1 76 TYR -5.00 -1.60 1 77 TYR -5.70 -1.30 1 78 SER -3.30 -0.30 1 79 GLU 2.90 2.00 1 80 GLU 2.80 1.10 1 81 ALA -1.60 -1.80 1 82 LYS 3.80 -1.50 1 83 LYS -7.70 -4.20 1 84 LYS -5.40 -1.70 1 85 VAL -4.60 -3.30 1 86 GLU -6.20 -0.80 1 87 VAL 2.20 -0.30 1 88 LEU 0.10 -0.40 1 89 ASP -3.80 -2.40 1 91 ASP -1.10 0.50 1 93 LYS -1.40 -1.00 1 95 TYR -3.10 -2.40 1 96 ALA -3.60 -3.10 1 97 VAL 0.30 -2.00 1 98 ILE -5.80 -2.40 1 99 TYR -3.60 -2.20 1 100 ALA -6.90 -2.30 1 101 THR -3.10 -1.10 1 102 ARG -5.70 -2.40 1 103 VAL -0.30 -0.60 1 104 LYS -3.50 -1.20 1 107 ARG -2.90 -1.80 1 108 THR 2.30 -1.30 1 109 LEU -4.90 -1.90 1 110 HIS -5.20 1.20 1 111 MET -3.70 -2.30 1 112 MET -4.60 -0.90 1 113 ARG -7.70 -2.50 1 114 LEU -2.50 -3.40 1 115 TYR -4.00 0.60 1 116 SER -5.60 0.80 1 117 ARG 0.70 -0.90 1 118 SER -4.10 0.30 1 120 GLU -0.60 -2.10 1 121 VAL -1.70 -1.90 1 124 ALA 3.30 2.10 1 125 ALA 3.00 1.40 1 127 ALA 4.10 3.30 1 128 ILE 3.90 0.90 1 129 PHE 4.30 0.30 1 130 ARG 5.40 3.10 1 131 LYS 4.20 2.70 1 132 LEU 3.40 2.00 1 133 ALA 5.70 2.60 1 135 GLU 2.20 0.80 1 136 ARG 1.80 -2.80 1 137 ASN 4.60 -1.00 1 138 TYR 1.00 0.00 1 139 THR -2.00 0.80 1 140 ASP 4.10 2.10 1 141 GLU 2.30 -0.40 1 142 MET 1.20 -3.40 1 143 VAL -1.60 -0.70 1 144 ALA -4.50 -2.00 1 145 MET 1.40 0.60 1 146 LEU -0.30 -1.20 1 148 ARG 0.80 -0.80 1 149 GLN -0.10 -1.70 1 150 GLU -2.80 -0.80 1 151 GLU 0.60 -0.60 1 153 THR -4.70 -1.70 1 154 VAL -0.40 -0.80 1 155 ASP 0.30 -0.50 1 156 GLU -0.60 -1.20 1 stop_ save_