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 bmr7059_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.83 _LACS_plot.Line_1_terminator_val_y_1 -4.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 9.97 _LACS_plot.Line_2_terminator_val_y_2 6.84 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 HIS 7.18 -3.07 0 10 GLN -8.83 -2.35 1 11 ASN 5.38 3.68 1 12 ASP 3.85 3.03 1 13 PHE -1.99 -1.71 1 15 GLU 6.93 4.88 1 18 SER 2.54 2.40 1 19 LEU -2.20 -2.61 1 20 ALA -0.40 1.30 1 21 VAL -0.33 -1.25 1 22 THR 5.02 3.38 1 25 ALA 3.84 2.55 1 26 ALA 3.46 1.63 1 27 LEU 3.82 1.78 1 28 ALA 4.10 3.27 1 29 ARG 3.56 1.83 1 30 ALA 3.82 2.54 1 31 ILE 6.34 4.84 1 32 SER 6.47 4.47 1 33 ASP 4.56 3.01 1 34 TYR 3.09 2.36 1 35 LEU 3.02 1.85 1 36 ALA 2.20 1.35 1 37 GLU -1.82 -0.65 1 38 ALA 0.80 0.22 1 39 ALA -0.79 -0.48 1 40 ASP 0.43 -0.25 1 41 TYR -0.42 0.20 1 42 HIS 1.63 4.24 1 43 HIS -5.60 -0.38 1 44 VAL -0.32 -0.05 1 45 VAL -6.05 -4.02 1 46 ALA -8.06 -2.85 1 47 THR -2.66 -2.08 1 48 LYS -0.55 1.50 1 49 ASP 0.28 -0.40 1 50 PHE -5.30 -3.15 1 52 ILE 4.31 2.73 1 53 ASP -0.03 -0.66 1 56 ASP 3.44 1.81 1 57 HIS -5.00 0.71 1 58 PHE -6.73 -7.15 1 59 SER -3.30 -1.93 1 61 THR -1.57 -2.47 1 63 ASP -1.33 -2.01 1 64 TYR 6.60 1.16 1 65 SER 2.24 1.97 1 66 SER -0.37 1.04 1 67 SER -3.90 -0.11 1 71 HIS 0.17 0.89 1 73 VAL 2.41 0.21 1 74 SER -5.35 -6.50 1 76 THR 2.32 1.27 1 79 ALA -0.41 -0.92 1 80 ASP 0.80 0.38 1 81 PHE -0.12 -0.12 1 82 HIS 0.29 2.86 1 84 SER 2.17 1.47 1 85 LEU -0.98 -1.38 1 86 ASP 0.31 -0.78 1 87 THR 1.18 -0.34 1 88 SER 4.72 3.46 1 89 ALA -1.06 -0.92 1 90 ILE 2.83 1.17 1 91 GLU -0.72 1.13 1 92 ALA -3.91 -0.98 1 93 VAL -2.42 -2.20 1 94 PHE -0.61 -1.05 1 95 TYR -0.22 -0.32 1 96 LYS 2.10 0.54 1 98 ALA -0.56 5.09 1 99 TYR -1.36 -1.37 1 100 THR 4.96 2.21 1 102 ALA 1.47 0.91 1 103 TYR -0.59 1.42 1 104 SER -5.17 -3.28 1 106 PHE 5.52 3.41 1 107 GLU 0.53 0.69 1 109 VAL -5.46 -3.23 1 110 ASP -0.10 -1.68 1 111 GLU 3.32 1.68 1 112 ASN -0.78 -0.31 1 114 THR -0.83 -0.94 1 116 LEU 5.16 3.10 1 117 LEU 4.72 3.38 1 118 ASN 5.05 3.10 1 119 TRP 3.06 4.38 1 120 LEU 4.45 2.77 1 121 ARG 4.91 3.19 1 122 GLN 3.97 2.28 1 123 ARG 1.01 -0.52 1 125 VAL 3.34 1.21 1 126 ASP -1.12 -1.43 1 127 GLU -4.71 -2.06 1 128 VAL -6.57 -4.11 1 129 ASP -4.07 -2.79 1 130 VAL -1.19 -0.65 1 131 VAL -5.31 -4.07 1 133 ILE -8.06 -5.75 1 134 ALA -4.25 -0.28 1 135 THR 6.36 5.99 1 136 ASP 0.50 -2.72 1 137 HIS -1.34 1.47 1 139 VAL 9.53 5.93 1 140 ARG 4.76 2.70 1 141 GLN 4.13 2.85 1 142 THR 7.36 5.66 1 143 ALA 4.84 3.95 1 144 GLU 5.35 2.75 1 145 ASP 3.21 2.37 1 146 ALA 5.03 3.48 1 147 VAL 4.86 3.40 1 148 ARG 4.51 2.83 1 149 ASN -0.19 0.28 1 151 LEU -0.07 -1.68 1 152 ALA 2.08 0.68 1 153 THR 0.85 1.55 1 154 ARG -4.13 -2.91 1 155 VAL -2.01 -1.71 1 156 LEU 2.53 -2.81 1 157 VAL 5.00 3.69 1 158 ASP 3.90 0.82 1 159 LEU 0.83 -2.06 1 160 THR -5.02 -2.61 1 161 ALA -3.15 -0.96 1 163 VAL 6.21 4.21 1 164 SER -3.75 -1.93 1 165 ALA 4.94 3.47 1 166 ASP 4.88 2.73 1 167 THR 5.15 2.42 1 168 THR 9.97 7.67 1 169 VAL 6.70 4.87 1 170 ALA 3.43 2.11 1 171 ALA 1.56 1.26 1 172 LEU 3.12 1.52 1 173 GLU 1.54 0.77 1 174 GLU 1.93 2.07 1 175 MET 3.79 5.10 1 176 ARG 4.97 3.27 1 177 THR 4.80 3.48 1 178 ALA 0.63 -0.61 1 179 SER 4.49 2.08 1 180 VAL 1.28 0.13 1 181 GLU -0.75 -0.55 1 182 LEU 0.29 -1.60 1 183 VAL -4.74 -2.81 1 185 SER 1.83 1.45 1 186 SER 1.13 0.58 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7059_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.83 _LACS_plot.Line_1_terminator_val_y_1 4.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _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 9.97 _LACS_plot.Line_2_terminator_val_y_2 -3.13 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 HIS 7.18 -10.25 0 10 GLN -8.83 6.48 1 11 ASN 5.38 -1.70 1 12 ASP 3.85 -0.82 1 13 PHE -1.99 0.28 1 15 GLU 6.93 -2.05 1 18 SER 2.54 -0.14 1 19 LEU -2.20 -0.41 1 20 ALA -0.40 1.70 1 21 VAL -0.33 -0.92 1 22 THR 5.02 -1.64 1 25 ALA 3.84 -1.29 1 26 ALA 3.46 -1.83 1 27 LEU 3.82 -2.04 1 28 ALA 4.10 -0.83 1 29 ARG 3.56 -1.73 1 30 ALA 3.82 -1.28 1 31 ILE 6.34 -1.50 1 32 SER 6.47 -2.00 1 33 ASP 4.56 -1.55 1 34 TYR 3.09 -0.73 1 35 LEU 3.02 -1.17 1 36 ALA 2.20 -0.85 1 37 GLU -1.82 1.17 1 38 ALA 0.80 -0.58 1 39 ALA -0.79 0.31 1 40 ASP 0.43 -0.68 1 41 TYR -0.42 0.62 1 42 HIS 1.63 2.61 1 43 HIS -5.60 5.22 1 44 VAL -0.32 0.27 1 45 VAL -6.05 2.03 1 46 ALA -8.06 5.21 1 47 THR -2.66 0.58 1 48 LYS -0.55 2.05 1 49 ASP 0.28 -0.68 1 50 PHE -5.30 2.15 1 52 ILE 4.31 -1.58 1 53 ASP -0.03 -0.63 1 56 ASP 3.44 -1.63 1 57 HIS -5.00 5.71 1 58 PHE -6.73 -0.42 1 59 SER -3.30 1.37 1 61 THR -1.57 -0.90 1 63 ASP -1.33 -0.68 1 64 TYR 6.60 -5.44 1 65 SER 2.24 -0.27 1 66 SER -0.37 1.41 1 67 SER -3.90 3.79 1 71 HIS 0.17 0.72 1 73 VAL 2.41 -2.20 1 74 SER -5.35 -1.15 1 76 THR 2.32 -1.05 1 79 ALA -0.41 -0.51 1 80 ASP 0.80 -0.42 1 81 PHE -0.12 0.00 1 82 HIS 0.29 2.57 1 84 SER 2.17 -0.70 1 85 LEU -0.98 -0.40 1 86 ASP 0.31 -1.09 1 87 THR 1.18 -1.52 1 88 SER 4.72 -1.26 1 89 ALA -1.06 0.14 1 90 ILE 2.83 -1.66 1 91 GLU -0.72 1.85 1 92 ALA -3.91 2.93 1 93 VAL -2.42 0.22 1 94 PHE -0.61 -0.44 1 95 TYR -0.22 -0.10 1 96 LYS 2.10 -1.56 1 98 ALA -0.56 5.65 1 99 TYR -1.36 -0.01 1 100 THR 4.96 -2.75 1 102 ALA 1.47 -0.56 1 103 TYR -0.59 2.01 1 104 SER -5.17 1.89 1 106 PHE 5.52 -2.11 1 107 GLU 0.53 0.16 1 109 VAL -5.46 2.23 1 110 ASP -0.10 -1.58 1 111 GLU 3.32 -1.64 1 112 ASN -0.78 0.47 1 114 THR -0.83 -0.11 1 116 LEU 5.16 -2.06 1 117 LEU 4.72 -1.34 1 118 ASN 5.05 -1.95 1 119 TRP 3.06 1.32 1 120 LEU 4.45 -1.68 1 121 ARG 4.91 -1.72 1 122 GLN 3.97 -1.69 1 123 ARG 1.01 -1.53 1 125 VAL 3.34 -2.13 1 126 ASP -1.12 -0.31 1 127 GLU -4.71 2.65 1 128 VAL -6.57 2.46 1 129 ASP -4.07 1.28 1 130 VAL -1.19 0.54 1 131 VAL -5.31 1.24 1 133 ILE -8.06 2.31 1 134 ALA -4.25 3.97 1 135 THR 6.36 -0.37 1 136 ASP 0.50 -3.22 1 137 HIS -1.34 2.81 1 139 VAL 9.53 -3.60 1 140 ARG 4.76 -2.06 1 141 GLN 4.13 -1.28 1 142 THR 7.36 -1.70 1 143 ALA 4.84 -0.89 1 144 GLU 5.35 -2.60 1 145 ASP 3.21 -0.84 1 146 ALA 5.03 -1.55 1 147 VAL 4.86 -1.46 1 148 ARG 4.51 -1.68 1 149 ASN -0.19 0.47 1 151 LEU -0.07 -1.61 1 152 ALA 2.08 -1.40 1 153 THR 0.85 0.70 1 154 ARG -4.13 1.22 1 155 VAL -2.01 0.30 1 156 LEU 2.53 -5.34 1 157 VAL 5.00 -1.31 1 158 ASP 3.90 -3.08 1 159 LEU 0.83 -2.89 1 160 THR -5.02 2.41 1 161 ALA -3.15 2.19 1 163 VAL 6.21 -2.00 1 164 SER -3.75 1.82 1 165 ALA 4.94 -1.47 1 166 ASP 4.88 -2.15 1 167 THR 5.15 -2.73 1 168 THR 9.97 -2.30 1 169 VAL 6.70 -1.83 1 170 ALA 3.43 -1.32 1 171 ALA 1.56 -0.30 1 172 LEU 3.12 -1.60 1 173 GLU 1.54 -0.77 1 174 GLU 1.93 0.14 1 175 MET 3.79 1.31 1 176 ARG 4.97 -1.70 1 177 THR 4.80 -1.32 1 178 ALA 0.63 -1.24 1 179 SER 4.49 -2.41 1 180 VAL 1.28 -1.15 1 181 GLU -0.75 0.20 1 182 LEU 0.29 -1.89 1 183 VAL -4.74 1.93 1 185 SER 1.83 -0.38 1 186 SER 1.13 -0.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7059_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.83 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 9.97 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 128 VAL -6.57 1.65 0 139 VAL 9.53 0.62 0 58 PHE -6.73 -0.77 0 10 GLN -8.83 0.73 1 11 ASN 5.38 -0.23 1 12 ASP 3.85 0.36 1 13 PHE -1.99 0.72 1 15 GLU 6.93 -0.41 1 18 SER 2.54 0.55 1 19 LEU -2.20 0.38 1 20 ALA -0.40 -0.10 1 21 VAL -0.33 0.08 1 22 THR 5.02 -0.57 1 25 ALA 3.84 -1.18 1 26 ALA 3.46 -0.33 1 27 LEU 3.82 -0.22 1 28 ALA 4.10 -0.70 1 29 ARG 3.56 -0.18 1 30 ALA 3.82 -0.20 1 31 ILE 6.34 -0.51 1 32 SER 6.47 -0.05 1 33 ASP 4.56 -0.22 1 34 TYR 3.09 -0.18 1 35 LEU 3.02 -0.62 1 36 ALA 2.20 -0.20 1 37 GLU -1.82 0.05 1 38 ALA 0.80 -0.17 1 39 ALA -0.79 -0.16 1 40 ASP 0.43 -0.24 1 41 TYR -0.42 -0.01 1 42 HIS 1.63 -0.48 1 43 HIS -5.60 0.89 1 44 VAL -0.32 0.56 1 45 VAL -6.05 0.94 1 46 ALA -8.06 1.28 1 47 THR -2.66 0.95 1 48 LYS -0.55 -0.12 1 49 ASP 0.28 -0.09 1 50 PHE -5.30 -0.05 1 51 HIS 7.18 -0.30 1 52 ILE 4.31 0.53 1 53 ASP -0.03 -0.24 1 56 ASP 3.44 -0.14 1 57 HIS -5.00 0.02 1 59 SER -3.30 -0.36 1 61 THR -1.57 -0.16 1 63 ASP -1.33 -0.03 1 64 TYR 6.60 0.05 1 65 SER 2.24 0.60 1 66 SER -0.37 0.51 1 67 SER -3.90 -0.08 1 71 HIS 0.17 -0.12 1 73 VAL 2.41 0.37 1 74 SER -5.35 -0.07 1 76 THR 2.32 0.00 1 79 ALA -0.41 -0.13 1 80 ASP 0.80 -0.37 1 81 PHE -0.12 0.35 1 82 HIS 0.29 -0.22 1 84 SER 2.17 0.00 1 85 LEU -0.98 -0.14 1 86 ASP 0.31 -0.11 1 87 THR 1.18 -0.47 1 88 SER 4.72 -0.33 1 89 ALA -1.06 -0.01 1 90 ILE 2.83 -0.70 1 91 GLU -0.72 -0.10 1 92 ALA -3.91 0.16 1 93 VAL -2.42 0.36 1 94 PHE -0.61 -0.77 1 95 TYR -0.22 0.00 1 96 LYS 2.10 0.50 1 98 ALA -0.56 0.04 1 99 TYR -1.36 0.30 1 100 THR 4.96 -0.20 1 102 ALA 1.47 -0.25 1 103 TYR -0.59 -0.56 1 104 SER -5.17 -0.32 1 106 PHE 5.52 -0.58 1 107 GLU 0.53 0.00 1 109 VAL -5.46 1.21 1 110 ASP -0.10 0.39 1 111 GLU 3.32 -0.29 1 112 ASN -0.78 0.16 1 114 THR -0.83 0.40 1 116 LEU 5.16 -1.19 1 117 LEU 4.72 -0.25 1 118 ASN 5.05 -0.47 1 119 TRP 3.06 -0.85 1 120 LEU 4.45 -0.42 1 121 ARG 4.91 -0.36 1 122 GLN 3.97 -0.33 1 123 ARG 1.01 -0.35 1 125 VAL 3.34 -0.43 1 126 ASP -1.12 0.09 1 127 GLU -4.71 1.16 1 129 ASP -4.07 1.32 1 130 VAL -1.19 0.70 1 131 VAL -5.31 0.40 1 133 ILE -8.06 0.57 1 134 ALA -4.25 0.03 1 135 THR 6.36 0.59 1 136 ASP 0.50 -0.52 1 137 HIS -1.34 0.45 1 140 ARG 4.76 -0.38 1 141 GLN 4.13 -0.38 1 142 THR 7.36 -0.02 1 143 ALA 4.84 -0.35 1 144 GLU 5.35 -0.02 1 145 ASP 3.21 -0.36 1 146 ALA 5.03 -0.99 1 147 VAL 4.86 -0.09 1 148 ARG 4.51 -0.27 1 149 ASN -0.19 -0.08 1 151 LEU -0.07 0.08 1 152 ALA 2.08 0.09 1 153 THR 0.85 1.05 1 154 ARG -4.13 1.32 1 155 VAL -2.01 0.46 1 156 LEU 2.53 0.65 1 157 VAL 5.00 -0.77 1 158 ASP 3.90 -0.17 1 159 LEU 0.83 0.24 1 160 THR -5.02 1.31 1 161 ALA -3.15 0.38 1 163 VAL 6.21 -0.29 1 164 SER -3.75 -0.22 1 165 ALA 4.94 -0.23 1 166 ASP 4.88 -0.23 1 167 THR 5.15 -0.17 1 168 THR 9.97 -0.01 1 169 VAL 6.70 -0.51 1 170 ALA 3.43 -0.15 1 171 ALA 1.56 -0.29 1 172 LEU 3.12 -0.38 1 173 GLU 1.54 -0.18 1 174 GLU 1.93 -0.35 1 175 MET 3.79 -0.57 1 176 ARG 4.97 0.04 1 177 THR 4.80 -0.27 1 178 ALA 0.63 0.17 1 179 SER 4.49 -0.49 1 180 VAL 1.28 -0.41 1 181 GLU -0.75 -0.02 1 182 LEU 0.29 0.61 1 183 VAL -4.74 0.56 1 185 SER 1.83 -0.35 1 186 SER 1.13 0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7059_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.83 _LACS_plot.Line_1_terminator_val_y_1 -2.25 _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 -0.42 _LACS_plot.Line_2_terminator_val_x_2 9.97 _LACS_plot.Line_2_terminator_val_y_2 2.42 _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 139 VAL 9.53 -1.02 0 135 THR 6.36 -2.98 0 10 GLN -8.83 1.65 0 11 ASN 5.38 4.77 1 12 ASP 3.85 -0.68 1 13 PHE -1.99 -0.68 1 15 GLU 6.93 1.42 1 18 SER 2.54 0.69 1 19 LEU -2.20 -2.19 1 20 ALA -0.40 0.17 1 21 VAL -0.33 -0.27 1 22 THR 5.02 0.59 1 25 ALA 3.84 3.64 1 26 ALA 3.46 2.95 1 27 LEU 3.82 0.58 1 28 ALA 4.10 0.90 1 29 ARG 3.56 0.95 1 30 ALA 3.82 3.37 1 31 ILE 6.34 1.24 1 32 SER 6.47 2.10 1 33 ASP 4.56 2.24 1 34 TYR 3.09 2.02 1 35 LEU 3.02 0.91 1 36 ALA 2.20 0.99 1 37 GLU -1.82 -0.22 1 38 ALA 0.80 -0.57 1 39 ALA -0.79 -0.25 1 40 ASP 0.43 -0.89 1 41 TYR -0.42 -0.01 1 42 HIS 1.63 1.37 1 43 HIS -5.60 -0.44 1 44 VAL -0.32 -1.76 1 45 VAL -6.05 -3.22 1 46 ALA -8.06 -1.48 1 47 THR -2.66 -1.23 1 48 LYS -0.55 0.01 1 49 ASP 0.28 -0.77 1 50 PHE -5.30 0.46 1 51 HIS 7.18 2.45 1 52 ILE 4.31 0.71 1 53 ASP -0.03 -1.43 1 56 ASP 3.44 0.52 1 57 HIS -5.00 1.23 1 58 PHE -6.73 0.33 1 59 SER -3.30 -0.09 1 61 THR -1.57 -0.86 1 63 ASP -1.33 1.19 1 64 TYR 6.60 -2.32 1 65 SER 2.24 -0.64 1 66 SER -0.37 -0.94 1 67 SER -3.90 -0.51 1 71 HIS 0.17 -0.08 1 73 VAL 2.41 1.37 1 74 SER -5.35 0.63 1 76 THR 2.32 1.39 1 79 ALA -0.41 0.67 1 80 ASP 0.80 0.32 1 81 PHE -0.12 -0.01 1 82 HIS 0.29 4.48 1 84 SER 2.17 -0.66 1 85 LEU -0.98 -3.06 1 86 ASP 0.31 0.30 1 87 THR 1.18 2.58 1 88 SER 4.72 0.78 1 89 ALA -1.06 -0.68 1 90 ILE 2.83 0.11 1 91 GLU -0.72 -0.35 1 92 ALA -3.91 -3.95 1 93 VAL -2.42 -3.30 1 94 PHE -0.61 -1.75 1 95 TYR -0.22 0.05 1 96 LYS 2.10 -0.54 1 98 ALA -0.56 1.13 1 99 TYR -1.36 -0.88 1 100 THR 4.96 3.32 1 102 ALA 1.47 0.80 1 103 TYR -0.59 -1.46 1 104 SER -5.17 1.83 1 106 PHE 5.52 0.73 1 107 GLU 0.53 0.01 1 109 VAL -5.46 -0.15 1 110 ASP -0.10 2.74 1 111 GLU 3.32 0.12 1 112 ASN -0.78 0.57 1 114 THR -0.83 1.36 1 116 LEU 5.16 -0.18 1 117 LEU 4.72 0.28 1 118 ASN 5.05 1.63 1 119 TRP 3.06 3.39 1 120 LEU 4.45 2.06 1 121 ARG 4.91 4.82 1 122 GLN 3.97 1.28 1 123 ARG 1.01 -0.49 1 125 VAL 3.34 -1.78 1 126 ASP -1.12 -0.67 1 127 GLU -4.71 -1.19 1 128 VAL -6.57 -2.73 1 129 ASP -4.07 -1.23 1 130 VAL -1.19 -1.86 1 131 VAL -5.31 -1.96 1 133 ILE -8.06 -1.85 1 134 ALA -4.25 3.36 1 136 ASP 0.50 0.00 1 137 HIS -1.34 0.74 1 140 ARG 4.76 1.52 1 141 GLN 4.13 2.49 1 142 THR 7.36 1.13 1 143 ALA 4.84 0.86 1 144 GLU 5.35 2.71 1 145 ASP 3.21 2.03 1 146 ALA 5.03 1.52 1 147 VAL 4.86 5.32 1 148 ARG 4.51 1.39 1 149 ASN -0.19 -0.73 1 151 LEU -0.07 0.03 1 152 ALA 2.08 -0.14 1 153 THR 0.85 -0.85 1 154 ARG -4.13 -0.48 1 155 VAL -2.01 -1.40 1 156 LEU 2.53 -0.46 1 157 VAL 5.00 1.42 1 158 ASP 3.90 -0.34 1 159 LEU 0.83 -2.92 1 160 THR -5.02 -2.10 1 161 ALA -3.15 -0.71 1 163 VAL 6.21 1.30 1 164 SER -3.75 0.78 1 165 ALA 4.94 2.09 1 166 ASP 4.88 3.56 1 167 THR 5.15 4.14 1 168 THR 9.97 0.21 1 169 VAL 6.70 2.69 1 170 ALA 3.43 2.35 1 171 ALA 1.56 0.98 1 172 LEU 3.12 0.46 1 173 GLU 1.54 0.72 1 174 GLU 1.93 3.74 1 175 MET 3.79 1.52 1 176 ARG 4.97 5.17 1 177 THR 4.80 0.06 1 178 ALA 0.63 -1.60 1 179 SER 4.49 -0.29 1 180 VAL 1.28 -0.52 1 181 GLU -0.75 -1.61 1 182 LEU 0.29 -1.25 1 183 VAL -4.74 -1.82 1 185 SER 1.83 0.29 1 186 SER 1.13 0.50 1 stop_ save_