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 bmr16971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 5.68 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 THR 2.97 -2.67 0 10 LEU 4.42 3.11 1 11 SER 4.15 3.54 1 12 VAL 1.37 -1.96 1 14 ALA 3.73 2.98 1 15 LEU 2.04 2.84 1 16 SER 6.16 5.36 1 17 ARG 4.54 3.78 1 18 ASP 4.68 3.76 1 19 ILE 5.06 4.51 1 20 MET 3.45 3.47 1 21 LYS 1.08 1.98 1 22 GLN 0.13 1.29 1 23 ASN 1.40 0.70 1 24 ARG -3.11 -1.10 1 25 VAL 1.42 0.28 1 27 VAL -0.90 -0.70 1 28 HIS -1.17 -0.42 1 30 GLU 3.72 1.68 1 31 LYS -1.52 -1.33 1 32 SER 0.28 1.15 1 35 ARG 0.72 0.08 1 36 THR -0.03 -0.52 1 37 ALA -4.09 -1.51 1 39 TYR -4.33 -1.97 1 40 SER -0.18 0.48 1 41 ASP 4.86 3.94 1 42 ALA 2.74 2.66 1 43 VAL 5.27 3.47 1 44 SER 4.68 3.93 1 45 VAL 5.39 4.15 1 46 LEU 4.87 4.29 1 47 ALA 3.73 2.76 1 48 GLN 1.96 1.88 1 49 ASP 2.31 2.38 1 50 ARG 3.20 2.35 1 52 SER 2.07 2.26 1 53 LEU -5.61 -1.47 1 54 ALA -5.20 -0.66 1 55 ILE -3.12 -1.59 1 56 VAL -1.88 -1.43 1 57 SER -4.05 -1.74 1 59 GLN -0.82 -0.88 1 62 ALA 0.13 0.13 1 63 ALA 3.75 2.95 1 65 GLN 3.80 2.37 1 66 ARG 4.55 3.54 1 67 GLU 3.02 2.59 1 68 ARG 4.22 4.03 1 69 VAL 7.23 5.56 1 70 ALA 5.58 3.52 1 71 GLU 2.89 4.17 1 72 LEU 3.23 2.66 1 73 VAL 6.15 4.86 1 74 MET 4.06 4.38 1 75 MET 2.25 2.82 1 76 ALA 4.52 3.10 1 77 ARG 4.50 2.67 1 78 GLU 3.27 2.45 1 79 GLN 2.30 0.63 1 81 ARG -2.79 -0.81 1 82 GLU -1.21 -0.62 1 83 VAL -5.61 -2.54 1 84 GLN -0.99 -0.59 1 85 ILE -3.00 -1.02 1 86 ILE -1.16 -1.87 1 87 ALA -2.41 -1.01 1 88 ALA 1.50 2.40 1 89 ASP 5.40 5.56 1 90 ARG 3.61 2.51 1 91 ARG 4.59 3.19 1 92 SER 3.87 2.99 1 93 GLN 6.11 5.43 1 94 MET 4.43 2.72 1 95 ASN 3.18 3.01 1 96 MET 4.80 5.10 1 98 GLN 5.04 4.70 1 99 ASP -3.00 -0.90 1 100 GLU 0.40 0.00 1 101 ARG 2.54 2.02 1 102 LEU -1.36 -0.76 1 103 SER 3.27 3.06 1 105 GLU -2.53 -2.60 1 106 LEU 1.25 0.46 1 107 ILE 0.21 -0.02 1 108 THR 0.22 1.25 1 110 ARG 4.16 4.36 1 111 ARG 1.12 4.36 1 112 GLN 3.76 2.81 1 113 LEU 3.18 2.59 1 114 LEU 1.37 0.87 1 115 GLU 0.14 0.45 1 117 MET -0.98 0.08 1 118 ALA -1.98 -1.59 1 119 PHE -3.06 -1.61 1 120 THR 1.23 0.68 1 123 SER -3.03 -0.85 1 124 THR -1.36 1.63 1 125 VAL -3.87 -2.43 1 126 ILE -3.92 -1.88 1 127 VAL -2.34 -1.74 1 128 ASP 3.44 0.94 1 129 GLN 5.09 2.09 1 131 GLU 0.54 0.34 1 132 LYS 0.13 0.51 1 133 LEU -3.78 -1.52 1 134 SER 4.63 3.73 1 135 LEU 4.18 3.42 1 136 LYS 2.02 3.17 1 137 GLU 2.38 6.32 1 138 THR 4.63 3.75 1 139 LEU 6.27 5.39 1 140 THR 3.07 3.30 1 141 LEU 3.26 2.35 1 142 LEU 2.26 3.71 1 143 ASP 2.95 2.47 1 145 ALA 2.96 2.03 1 146 ALA 2.73 2.45 1 147 ARG -1.22 0.81 1 148 HIS 3.36 1.32 1 149 ASN -3.23 -1.47 1 150 VAL -2.11 -1.42 1 151 GLN -0.39 -0.66 1 152 VAL -3.42 -3.10 1 153 LEU -1.41 -0.82 1 154 ILE -2.05 -1.85 1 155 THR -5.01 -2.16 1 156 ASP -0.97 -0.68 1 157 SER -2.44 -1.33 1 161 THR 0.50 0.70 1 165 SER 3.20 2.90 1 166 ALA 4.12 2.89 1 167 LEU 3.99 2.71 1 168 MET 3.52 2.44 1 169 ALA 4.07 4.59 1 170 MET 5.44 3.99 1 171 LYS 3.24 2.76 1 172 ASP -1.18 -0.15 1 173 ALA 2.54 1.59 1 175 VAL -0.03 1.00 1 176 ASN -1.17 -0.59 1 177 THR -1.75 -0.86 1 178 TYR 0.67 -0.21 1 179 ARG 0.97 1.91 1 180 TRP -1.62 -0.26 1 181 GLN -0.39 0.00 1 184 GLU 0.13 0.00 1 185 GLN -0.10 -0.10 1 186 ARG -0.04 0.13 1 188 ALA 0.02 1.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 THR 2.97 -5.64 0 10 LEU 4.42 -1.31 1 11 SER 4.15 -0.61 1 12 VAL 1.37 -3.33 1 14 ALA 3.73 -0.75 1 15 LEU 2.04 0.80 1 16 SER 6.16 -0.80 1 17 ARG 4.54 -0.76 1 18 ASP 4.68 -0.92 1 19 ILE 5.06 -0.55 1 20 MET 3.45 0.02 1 21 LYS 1.08 0.90 1 22 GLN 0.13 1.16 1 23 ASN 1.40 -0.70 1 24 ARG -3.11 2.01 1 25 VAL 1.42 -1.14 1 27 VAL -0.90 0.20 1 28 HIS -1.17 0.75 1 30 GLU 3.72 -2.04 1 31 LYS -1.52 0.19 1 32 SER 0.28 0.87 1 35 ARG 0.72 -0.64 1 36 THR -0.03 -0.49 1 37 ALA -4.09 2.58 1 39 TYR -4.33 2.36 1 40 SER -0.18 0.66 1 41 ASP 4.86 -0.92 1 42 ALA 2.74 -0.08 1 43 VAL 5.27 -1.80 1 44 SER 4.68 -0.75 1 45 VAL 5.39 -1.24 1 46 LEU 4.87 -0.58 1 47 ALA 3.73 -0.97 1 48 GLN 1.96 -0.08 1 49 ASP 2.31 0.07 1 50 ARG 3.20 -0.85 1 52 SER 2.07 0.19 1 53 LEU -5.61 4.14 1 54 ALA -5.20 4.54 1 55 ILE -3.12 1.53 1 56 VAL -1.88 0.45 1 57 SER -4.05 2.31 1 59 GLN -0.82 -0.06 1 62 ALA 0.13 0.00 1 63 ALA 3.75 -0.80 1 65 GLN 3.80 -1.43 1 66 ARG 4.55 -1.01 1 67 GLU 3.02 -0.43 1 68 ARG 4.22 -0.19 1 69 VAL 7.23 -1.67 1 70 ALA 5.58 -2.06 1 71 GLU 2.89 1.28 1 72 LEU 3.23 -0.57 1 73 VAL 6.15 -1.29 1 74 MET 4.06 0.32 1 75 MET 2.25 0.57 1 76 ALA 4.52 -1.42 1 77 ARG 4.50 -1.83 1 78 GLU 3.27 -0.82 1 79 GLN 2.30 -1.67 1 81 ARG -2.79 1.98 1 82 GLU -1.21 0.59 1 83 VAL -5.61 3.07 1 84 GLN -0.99 0.40 1 85 ILE -3.00 1.98 1 86 ILE -1.16 -0.71 1 87 ALA -2.41 1.40 1 88 ALA 1.50 0.90 1 89 ASP 5.40 0.16 1 90 ARG 3.61 -1.10 1 91 ARG 4.59 -1.40 1 92 SER 3.87 -0.88 1 93 GLN 6.11 -0.68 1 94 MET 4.43 -1.71 1 95 ASN 3.18 -0.17 1 96 MET 4.80 0.30 1 98 GLN 5.04 -0.34 1 99 ASP -3.00 2.10 1 100 GLU 0.40 -0.40 1 101 ARG 2.54 -0.52 1 102 LEU -1.36 0.60 1 103 SER 3.27 -0.21 1 105 GLU -2.53 -0.07 1 106 LEU 1.25 -0.79 1 107 ILE 0.21 -0.23 1 108 THR 0.22 1.03 1 110 ARG 4.16 0.20 1 111 ARG 1.12 3.24 1 112 GLN 3.76 -0.95 1 113 LEU 3.18 -0.59 1 114 LEU 1.37 -0.50 1 115 GLU 0.14 0.31 1 117 MET -0.98 1.06 1 118 ALA -1.98 0.39 1 119 PHE -3.06 1.45 1 120 THR 1.23 -0.55 1 123 SER -3.03 2.18 1 124 THR -1.36 2.99 1 125 VAL -3.87 1.44 1 126 ILE -3.92 2.04 1 127 VAL -2.34 0.60 1 128 ASP 3.44 -2.50 1 129 GLN 5.09 -3.00 1 131 GLU 0.54 -0.20 1 132 LYS 0.13 0.38 1 133 LEU -3.78 2.26 1 134 SER 4.63 -0.90 1 135 LEU 4.18 -0.76 1 136 LYS 2.02 1.15 1 137 GLU 2.38 3.94 1 138 THR 4.63 -0.88 1 139 LEU 6.27 -0.88 1 140 THR 3.07 0.23 1 141 LEU 3.26 -0.91 1 142 LEU 2.26 1.45 1 143 ASP 2.95 -0.48 1 145 ALA 2.96 -0.93 1 146 ALA 2.73 -0.28 1 147 ARG -1.22 2.03 1 148 HIS 3.36 -2.04 1 149 ASN -3.23 1.76 1 150 VAL -2.11 0.69 1 151 GLN -0.39 -0.27 1 152 VAL -3.42 0.32 1 153 LEU -1.41 0.59 1 154 ILE -2.05 0.20 1 155 THR -5.01 2.85 1 156 ASP -0.97 0.29 1 157 SER -2.44 1.11 1 161 THR 0.50 0.20 1 165 SER 3.20 -0.30 1 166 ALA 4.12 -1.23 1 167 LEU 3.99 -1.28 1 168 MET 3.52 -1.08 1 169 ALA 4.07 0.52 1 170 MET 5.44 -1.45 1 171 LYS 3.24 -0.48 1 172 ASP -1.18 1.03 1 173 ALA 2.54 -0.95 1 175 VAL -0.03 1.03 1 176 ASN -1.17 0.58 1 177 THR -1.75 0.89 1 178 TYR 0.67 -0.88 1 179 ARG 0.97 0.94 1 180 TRP -1.62 1.36 1 181 GLN -0.39 0.39 1 184 GLU 0.13 -0.13 1 185 GLN -0.10 0.00 1 186 ARG -0.04 0.17 1 188 ALA 0.02 1.15 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 0.51 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 THR 2.97 0.65 0 133 LEU -3.78 -0.35 0 123 SER -3.03 -0.55 0 83 VAL -5.61 1.37 0 10 LEU 4.42 -0.32 1 11 SER 4.15 -0.29 1 12 VAL 1.37 -0.38 1 14 ALA 3.73 -0.32 1 15 LEU 2.04 -0.22 1 16 SER 6.16 -0.89 1 17 ARG 4.54 -0.38 1 18 ASP 4.68 -0.23 1 19 ILE 5.06 -0.61 1 20 MET 3.45 -0.91 1 21 LYS 1.08 -0.16 1 22 GLN 0.13 0.07 1 23 ASN 1.40 -0.03 1 24 ARG -3.11 0.24 1 25 VAL 1.42 -0.24 1 27 VAL -0.90 0.28 1 28 HIS -1.17 0.12 1 30 GLU 3.72 -0.06 1 31 LYS -1.52 0.24 1 32 SER 0.28 -0.53 1 35 ARG 0.72 0.05 1 36 THR -0.03 0.02 1 37 ALA -4.09 0.03 1 39 TYR -4.33 0.33 1 40 SER -0.18 -0.20 1 41 ASP 4.86 -0.29 1 42 ALA 2.74 -0.08 1 43 VAL 5.27 -0.70 1 44 SER 4.68 -0.50 1 45 VAL 5.39 -0.37 1 46 LEU 4.87 -0.89 1 47 ALA 3.73 -0.53 1 48 GLN 1.96 -0.24 1 49 ASP 2.31 -0.35 1 50 ARG 3.20 -0.69 1 52 SER 2.07 -0.76 1 53 LEU -5.61 1.10 1 54 ALA -5.20 0.50 1 55 ILE -3.12 0.96 1 56 VAL -1.88 0.98 1 57 SER -4.05 1.07 1 59 GLN -0.82 0.06 1 62 ALA 0.13 -0.03 1 63 ALA 3.75 -0.21 1 65 GLN 3.80 -0.46 1 66 ARG 4.55 -0.40 1 67 GLU 3.02 -0.40 1 68 ARG 4.22 -1.00 1 69 VAL 7.23 -0.83 1 70 ALA 5.58 -0.47 1 71 GLU 2.89 -0.24 1 72 LEU 3.23 -0.39 1 73 VAL 6.15 -0.75 1 74 MET 4.06 -0.33 1 75 MET 2.25 -0.17 1 76 ALA 4.52 -0.28 1 77 ARG 4.50 -0.03 1 78 GLU 3.27 0.11 1 79 GLN 2.30 -0.12 1 81 ARG -2.79 0.25 1 82 GLU -1.21 -0.07 1 84 GLN -0.99 0.52 1 85 ILE -3.00 0.78 1 86 ILE -1.16 0.37 1 87 ALA -2.41 0.07 1 88 ALA 1.50 -0.39 1 89 ASP 5.40 -0.07 1 90 ARG 3.61 -0.38 1 91 ARG 4.59 -0.30 1 92 SER 3.87 -0.50 1 93 GLN 6.11 -0.67 1 94 MET 4.43 -0.36 1 95 ASN 3.18 -0.29 1 96 MET 4.80 -0.59 1 98 GLN 5.04 -0.13 1 99 ASP -3.00 -0.01 1 100 GLU 0.40 -0.21 1 101 ARG 2.54 -0.13 1 102 LEU -1.36 -0.13 1 103 SER 3.27 -0.54 1 105 GLU -2.53 0.20 1 106 LEU 1.25 -0.03 1 107 ILE 0.21 0.06 1 108 THR 0.22 -0.14 1 110 ARG 4.16 -0.31 1 111 ARG 1.12 -0.04 1 112 GLN 3.76 -0.23 1 113 LEU 3.18 -0.31 1 114 LEU 1.37 -0.08 1 115 GLU 0.14 -0.12 1 117 MET -0.98 -0.34 1 118 ALA -1.98 0.00 1 119 PHE -3.06 -0.16 1 120 THR 1.23 -0.23 1 124 THR -1.36 0.93 1 125 VAL -3.87 0.90 1 126 ILE -3.92 0.75 1 127 VAL -2.34 0.87 1 128 ASP 3.44 -0.24 1 129 GLN 5.09 -0.08 1 131 GLU 0.54 -0.03 1 132 LYS 0.13 -0.03 1 134 SER 4.63 -0.42 1 135 LEU 4.18 -0.37 1 136 LYS 2.02 -0.62 1 137 GLU 2.38 -0.20 1 138 THR 4.63 -0.51 1 139 LEU 6.27 -0.13 1 140 THR 3.07 -0.27 1 141 LEU 3.26 -0.40 1 142 LEU 2.26 -0.39 1 143 ASP 2.95 -0.38 1 145 ALA 2.96 -0.08 1 146 ALA 2.73 -0.34 1 147 ARG -1.22 0.19 1 148 HIS 3.36 -0.29 1 149 ASN -3.23 0.35 1 150 VAL -2.11 0.52 1 151 GLN -0.39 0.44 1 152 VAL -3.42 0.62 1 153 LEU -1.41 0.15 1 154 ILE -2.05 1.03 1 155 THR -5.01 0.66 1 156 ASP -0.97 -0.35 1 157 SER -2.44 -0.28 1 161 THR 0.50 -0.22 1 165 SER 3.20 -0.34 1 166 ALA 4.12 -0.69 1 167 LEU 3.99 -0.42 1 168 MET 3.52 -0.11 1 169 ALA 4.07 -0.64 1 170 MET 5.44 -0.28 1 171 LYS 3.24 -0.26 1 172 ASP -1.18 -0.06 1 173 ALA 2.54 -0.24 1 175 VAL -0.03 -0.24 1 176 ASN -1.17 0.80 1 177 THR -1.75 -0.07 1 178 TYR 0.67 0.34 1 179 ARG 0.97 -0.32 1 180 TRP -1.62 -0.25 1 181 GLN -0.39 -0.11 1 184 GLU 0.13 -0.06 1 185 GLN -0.10 0.07 1 186 ARG -0.04 0.06 1 188 ALA 0.02 0.37 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _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 -0.89 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 2.82 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 ARG 3.20 -2.80 0 11 SER 4.15 5.60 0 108 THR 0.22 4.30 0 39 TYR -4.33 2.00 0 77 ARG 4.50 6.00 0 188 ALA 0.02 4.50 0 10 LEU 4.42 2.70 1 12 VAL 1.37 2.40 1 14 ALA 3.73 1.60 1 15 LEU 2.04 1.80 1 16 SER 6.16 4.80 1 17 ARG 4.54 -0.10 1 18 ASP 4.68 2.70 1 19 ILE 5.06 2.30 1 20 MET 3.45 2.10 1 21 LYS 1.08 1.50 1 22 GLN 0.13 0.60 1 23 ASN 1.40 0.40 1 24 ARG -3.11 -1.10 1 25 VAL 1.42 -0.90 1 26 THR 2.97 0.20 1 27 VAL -0.90 -1.40 1 30 GLU 3.72 0.20 1 31 LYS -1.52 -1.00 1 32 SER 0.28 0.20 1 35 ARG 0.72 0.30 1 36 THR -0.03 -1.10 1 37 ALA -4.09 -2.20 1 40 SER -0.18 0.70 1 41 ASP 4.86 2.30 1 42 ALA 2.74 1.00 1 43 VAL 5.27 0.20 1 44 SER 4.68 0.80 1 45 VAL 5.39 1.60 1 46 LEU 4.87 1.40 1 47 ALA 3.73 1.20 1 48 GLN 1.96 1.60 1 49 ASP 2.31 0.40 1 52 SER 2.07 -2.10 1 53 LEU -5.61 -2.80 1 54 ALA -5.20 -3.60 1 55 ILE -3.12 -1.40 1 56 VAL -1.88 -1.20 1 57 SER -4.05 -0.60 1 59 GLN -0.82 0.80 1 62 ALA 0.13 -0.40 1 63 ALA 3.75 2.50 1 65 GLN 3.80 2.00 1 66 ARG 4.55 1.70 1 67 GLU 3.02 2.30 1 68 ARG 4.22 1.50 1 69 VAL 7.23 0.90 1 70 ALA 5.58 2.40 1 71 GLU 2.89 1.80 1 72 LEU 3.23 1.20 1 73 VAL 6.15 0.70 1 74 MET 4.06 2.30 1 75 MET 2.25 1.80 1 76 ALA 4.52 2.60 1 78 GLU 3.27 2.70 1 79 GLN 2.30 -1.30 1 81 ARG -2.79 -0.60 1 82 GLU -1.21 -1.00 1 83 VAL -5.61 -1.00 1 84 GLN -0.99 -2.60 1 85 ILE -3.00 -1.90 1 86 ILE -1.16 -1.00 1 87 ALA -2.41 -0.30 1 89 ASP 5.40 2.30 1 90 ARG 3.61 1.60 1 91 ARG 4.59 2.60 1 92 SER 3.87 3.70 1 93 GLN 6.11 1.30 1 94 MET 4.43 2.50 1 95 ASN 3.18 3.40 1 98 GLN 5.04 -0.60 1 99 ASP -3.00 0.70 1 100 GLU 0.40 1.10 1 101 ARG 2.54 1.30 1 102 LEU -1.36 -0.10 1 103 SER 3.27 0.80 1 105 GLU -2.53 -1.10 1 107 ILE 0.21 -0.80 1 110 ARG 4.16 -0.20 1 111 ARG 1.12 -0.20 1 112 GLN 3.76 1.70 1 113 LEU 3.18 0.10 1 114 LEU 1.37 0.60 1 115 GLU 0.14 0.20 1 117 MET -0.98 -1.90 1 118 ALA -1.98 -1.40 1 119 PHE -3.06 -0.50 1 120 THR 1.23 -0.40 1 123 SER -3.03 -1.80 1 124 THR -1.36 -1.80 1 125 VAL -3.87 -2.60 1 126 ILE -3.92 -1.50 1 127 VAL -2.34 -0.40 1 128 ASP 3.44 1.10 1 129 GLN 5.09 0.10 1 131 GLU 0.54 0.30 1 132 LYS 0.13 0.40 1 133 LEU -3.78 1.40 1 134 SER 4.63 1.00 1 135 LEU 4.18 3.60 1 136 LYS 2.02 1.40 1 137 GLU 2.38 1.30 1 138 THR 4.63 1.00 1 139 LEU 6.27 3.90 1 140 THR 3.07 -0.30 1 141 LEU 3.26 0.70 1 142 LEU 2.26 2.40 1 143 ASP 2.95 2.80 1 145 ALA 2.96 2.10 1 146 ALA 2.73 1.70 1 147 ARG -1.22 0.00 1 148 HIS 3.36 -1.10 1 149 ASN -3.23 -0.90 1 150 VAL -2.11 -1.90 1 151 GLN -0.39 -2.80 1 152 VAL -3.42 -2.90 1 153 LEU -1.41 -0.70 1 154 ILE -2.05 -2.00 1 155 THR -5.01 0.00 1 156 ASP -0.97 1.10 1 157 SER -2.44 -1.40 1 161 THR 0.50 1.60 1 165 SER 3.20 0.80 1 166 ALA 4.12 1.80 1 167 LEU 3.99 1.70 1 168 MET 3.52 1.70 1 169 ALA 4.07 2.20 1 170 MET 5.44 4.60 1 171 LYS 3.24 1.10 1 172 ASP -1.18 -1.20 1 173 ALA 2.54 -0.60 1 175 VAL -0.03 -1.30 1 176 ASN -1.17 -0.90 1 177 THR -1.75 -1.30 1 178 TYR 0.67 -1.70 1 179 ARG 0.97 -0.60 1 180 TRP -1.62 -1.70 1 181 GLN -0.39 -0.20 1 184 GLU 0.13 -0.40 1 185 GLN -0.10 -0.40 1 186 ARG -0.04 -0.70 1 stop_ save_