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 bmr4282_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 -2.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 5.60 _LACS_plot.Line_2_terminator_val_y_2 4.23 _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 56 HIS -3.10 2.70 0 94 MET -7.00 0.60 0 10 VAL 2.70 2.50 1 11 SER -2.60 -1.40 1 13 SER 3.60 3.10 1 14 SER -0.20 0.20 1 15 GLN -3.10 -2.10 1 16 ASP -4.00 -0.40 1 17 SER 3.90 3.10 1 18 THR 4.70 3.60 1 19 HIS -0.70 0.10 1 21 ALA 3.40 2.90 1 22 GLU 3.00 2.10 1 23 ASN 3.80 2.30 1 24 LEU 1.10 0.60 1 25 LEU 2.20 1.20 1 26 LYS -2.80 -1.40 1 27 ALA 1.10 0.60 1 28 ASP -1.20 -0.60 1 29 THR 1.30 1.00 1 30 TYR 1.40 0.70 1 32 LYS -2.20 -0.70 1 33 TRP -3.50 -3.00 1 34 ARG -8.50 -2.90 1 35 ALA -2.60 -1.40 1 36 ALA 1.60 2.10 1 37 LYS -4.30 -2.10 1 38 ALA 0.00 0.00 1 40 GLU -0.40 0.10 1 41 LYS 3.90 3.70 1 42 THR -3.10 -0.90 1 43 ILE -4.60 -0.90 1 44 SER -5.60 -1.40 1 45 VAL -4.90 -2.90 1 46 VAL -1.90 -1.30 1 47 LEU -4.50 -2.00 1 48 GLN -2.60 -1.90 1 49 LEU 0.90 0.20 1 50 GLU 3.00 3.20 1 51 LYS -4.20 -2.50 1 52 GLU 0.10 0.00 1 53 GLU -6.20 -1.80 1 54 GLN -1.50 -0.80 1 55 ILE 1.30 0.80 1 57 SER -3.70 -0.90 1 58 VAL -5.20 -1.50 1 59 ASP -4.00 -1.60 1 60 ILE -3.60 -0.50 1 62 ASN -2.10 -0.50 1 63 ASP 1.10 0.70 1 65 SER 3.50 2.50 1 66 ALA 0.20 1.50 1 67 PHE -6.00 -2.00 1 68 VAL -4.00 -0.40 1 69 GLU -7.30 -2.00 1 70 VAL -2.10 -0.70 1 71 LEU -3.60 -0.40 1 72 VAL -7.50 -3.80 1 74 SER -4.50 -3.10 1 75 SER 3.90 2.30 1 76 ALA 0.60 0.40 1 79 ALA -0.20 -0.20 1 81 GLU 1.30 0.90 1 82 GLN 1.10 0.30 1 83 ASP -0.20 0.10 1 84 TYR -2.60 -0.30 1 85 GLU -4.80 -2.30 1 86 VAL 4.00 3.20 1 87 LEU -3.00 0.20 1 88 LEU -5.80 -1.90 1 89 VAL 0.20 -0.30 1 90 THR 4.20 3.80 1 91 SER -2.50 0.40 1 92 SER -0.10 0.30 1 93 PHE -2.60 1.40 1 95 SER 0.50 0.20 1 97 SER 4.90 3.30 1 98 GLU 3.20 2.30 1 99 SER 5.00 4.00 1 100 ARG 3.60 3.40 1 101 SER -0.70 0.20 1 103 SER -0.60 -0.30 1 104 ASN 3.50 3.30 1 106 ASN -1.80 -0.70 1 107 ARG 4.50 3.60 1 108 VAL -2.60 -1.70 1 109 ARG -4.20 -0.80 1 110 MET -2.30 -0.60 1 111 PHE -1.30 -0.60 1 114 ASP 2.40 1.00 1 115 LYS -2.30 -1.30 1 116 LEU -2.00 -1.90 1 117 VAL 3.50 2.00 1 118 ARG 5.60 3.60 1 119 ALA 3.00 2.50 1 120 ALA 0.70 1.50 1 121 ALA 2.00 2.20 1 122 GLU -0.20 0.30 1 123 LYS -2.20 -0.80 1 124 ARG -3.30 -1.50 1 125 TRP -7.00 -1.20 1 126 ASP -1.50 -0.90 1 127 ARG -5.50 -0.90 1 128 VAL -6.10 -3.50 1 129 LYS -6.00 -2.60 1 130 ILE -1.80 -0.60 1 131 VAL -2.20 -0.80 1 133 SER -4.10 -1.40 1 134 GLN 0.20 -1.50 1 136 TYR -0.20 0.10 1 137 SER -2.40 -2.10 1 138 LYS -0.10 -0.30 1 139 ASP 1.00 1.80 1 140 SER -1.90 -0.40 1 142 PHE -5.40 -3.10 1 144 LEU -6.60 -1.30 1 145 SER 2.00 2.10 1 146 PHE -1.20 -0.30 1 147 VAL -4.70 -2.10 1 148 ARG -4.80 -0.90 1 149 PHE -4.40 -1.20 1 150 HIS -3.80 -0.10 1 151 SER 0.10 -0.20 1 154 ASP 0.30 0.40 1 155 LYS 0.30 0.40 1 156 ASP 0.40 0.40 1 157 GLU -0.50 -0.10 1 158 ALA 0.00 0.10 1 159 GLU -0.90 -0.50 1 160 ALA 0.00 0.20 1 162 SER 0.30 0.20 1 163 GLN -0.20 0.00 1 164 LYS 0.40 0.10 1 165 VAL 0.10 0.10 1 166 THR 0.00 0.00 1 167 VAL 0.30 0.10 1 168 THR 0.10 0.10 1 169 LYS 0.50 0.20 1 170 LEU 0.30 0.40 1 172 GLN -0.00 0.20 1 173 PHE -0.10 0.00 1 174 ARG -0.60 -0.20 1 175 VAL 0.50 0.30 1 176 LYS 0.30 0.10 1 177 GLU -0.20 0.00 1 178 GLU -0.30 -0.10 1 179 GLU -0.50 -0.20 1 180 GLU -0.30 -0.10 1 181 SER -0.10 -0.10 1 182 ALA -0.30 0.00 1 183 ASN 0.10 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4282_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 5.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 5.60 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _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 56 HIS -3.10 5.80 0 94 MET -7.00 7.60 0 10 VAL 2.70 -0.20 1 11 SER -2.60 1.20 1 13 SER 3.60 -0.50 1 14 SER -0.20 0.40 1 15 GLN -3.10 1.00 1 16 ASP -4.00 3.60 1 17 SER 3.90 -0.80 1 18 THR 4.70 -1.10 1 19 HIS -0.70 0.80 1 21 ALA 3.40 -0.50 1 22 GLU 3.00 -0.90 1 23 ASN 3.80 -1.50 1 24 LEU 1.10 -0.50 1 25 LEU 2.20 -1.00 1 26 LYS -2.80 1.40 1 27 ALA 1.10 -0.50 1 28 ASP -1.20 0.60 1 29 THR 1.30 -0.30 1 30 TYR 1.40 -0.70 1 32 LYS -2.20 1.50 1 33 TRP -3.50 0.50 1 34 ARG -8.50 5.60 1 35 ALA -2.60 1.20 1 36 ALA 1.60 0.50 1 37 LYS -4.30 2.20 1 38 ALA 0.00 0.00 1 40 GLU -0.40 0.50 1 41 LYS 3.90 -0.20 1 42 THR -3.10 2.20 1 43 ILE -4.60 3.70 1 44 SER -5.60 4.20 1 45 VAL -4.90 2.00 1 46 VAL -1.90 0.60 1 47 LEU -4.50 2.50 1 48 GLN -2.60 0.70 1 49 LEU 0.90 -0.70 1 50 GLU 3.00 0.20 1 51 LYS -4.20 1.70 1 52 GLU 0.10 -0.10 1 53 GLU -6.20 4.40 1 54 GLN -1.50 0.70 1 55 ILE 1.30 -0.50 1 57 SER -3.70 2.80 1 58 VAL -5.20 3.70 1 59 ASP -4.00 2.40 1 60 ILE -3.60 3.10 1 62 ASN -2.10 1.60 1 63 ASP 1.10 -0.40 1 65 SER 3.50 -1.00 1 66 ALA 0.20 1.30 1 67 PHE -6.00 4.00 1 68 VAL -4.00 3.60 1 69 GLU -7.30 5.30 1 70 VAL -2.10 1.40 1 71 LEU -3.60 3.20 1 72 VAL -7.50 3.70 1 74 SER -4.50 1.40 1 75 SER 3.90 -1.60 1 76 ALA 0.60 -0.20 1 79 ALA -0.20 0.00 1 81 GLU 1.30 -0.40 1 82 GLN 1.10 -0.80 1 83 ASP -0.20 0.30 1 84 TYR -2.60 2.30 1 85 GLU -4.80 2.50 1 86 VAL 4.00 -0.80 1 87 LEU -3.00 3.20 1 88 LEU -5.80 3.90 1 89 VAL 0.20 -0.50 1 90 THR 4.20 -0.40 1 91 SER -2.50 2.90 1 92 SER -0.10 0.40 1 93 PHE -2.60 4.00 1 95 SER 0.50 -0.30 1 97 SER 4.90 -1.60 1 98 GLU 3.20 -0.90 1 99 SER 5.00 -1.00 1 100 ARG 3.60 -0.20 1 101 SER -0.70 0.90 1 103 SER -0.60 0.30 1 104 ASN 3.50 -0.20 1 106 ASN -1.80 1.10 1 107 ARG 4.50 -0.90 1 108 VAL -2.60 0.90 1 109 ARG -4.20 3.40 1 110 MET -2.30 1.70 1 111 PHE -1.30 0.70 1 114 ASP 2.40 -1.40 1 115 LYS -2.30 1.00 1 116 LEU -2.00 0.10 1 117 VAL 3.50 -1.50 1 118 ARG 5.60 -2.00 1 119 ALA 3.00 -0.50 1 120 ALA 0.70 0.80 1 121 ALA 2.00 0.20 1 122 GLU -0.20 0.50 1 123 LYS -2.20 1.40 1 124 ARG -3.30 1.80 1 125 TRP -7.00 5.80 1 126 ASP -1.50 0.60 1 127 ARG -5.50 4.60 1 128 VAL -6.10 2.60 1 129 LYS -6.00 3.40 1 130 ILE -1.80 1.20 1 131 VAL -2.20 1.40 1 133 SER -4.10 2.70 1 134 GLN 0.20 -1.70 1 136 TYR -0.20 0.30 1 137 SER -2.40 0.30 1 138 LYS -0.10 -0.20 1 139 ASP 1.00 0.80 1 140 SER -1.90 1.50 1 142 PHE -5.40 2.30 1 144 LEU -6.60 5.30 1 145 SER 2.00 0.10 1 146 PHE -1.20 0.90 1 147 VAL -4.70 2.60 1 148 ARG -4.80 3.90 1 149 PHE -4.40 3.20 1 150 HIS -3.80 3.70 1 151 SER 0.10 -0.30 1 154 ASP 0.30 0.10 1 155 LYS 0.30 0.10 1 156 ASP 0.40 0.00 1 157 GLU -0.50 0.40 1 158 ALA 0.00 0.10 1 159 GLU -0.90 0.40 1 160 ALA 0.00 0.20 1 162 SER 0.30 -0.10 1 163 GLN -0.20 0.20 1 164 LYS 0.40 -0.30 1 165 VAL 0.10 0.00 1 166 THR 0.00 0.00 1 167 VAL 0.30 -0.20 1 168 THR 0.10 0.00 1 169 LYS 0.50 -0.30 1 170 LEU 0.30 0.10 1 172 GLN -0.00 0.20 1 173 PHE -0.10 0.10 1 174 ARG -0.60 0.40 1 175 VAL 0.50 -0.20 1 176 LYS 0.30 -0.20 1 177 GLU -0.20 0.20 1 178 GLU -0.30 0.20 1 179 GLU -0.50 0.30 1 180 GLU -0.30 0.20 1 181 SER -0.10 0.00 1 182 ALA -0.30 0.30 1 183 ASN 0.10 1.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4282_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 0.93 _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 0.30 _LACS_plot.Line_2_terminator_val_x_2 5.60 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 34 ARG -8.50 -0.30 0 10 VAL 2.70 -0.30 1 11 SER -2.60 0.05 1 13 SER 3.60 -0.10 1 14 SER -0.20 0.18 1 15 GLN -3.10 1.25 1 16 ASP -4.00 -0.12 1 17 SER 3.90 -0.30 1 18 THR 4.70 -0.20 1 19 HIS -0.70 0.21 1 21 ALA 3.40 -0.72 1 22 GLU 3.00 -0.62 1 23 ASN 3.80 -0.27 1 24 LEU 1.10 0.11 1 25 LEU 2.20 -0.23 1 26 LYS -2.80 0.29 1 27 ALA 1.10 0.15 1 28 ASP -1.20 -0.09 1 29 THR 1.30 -0.01 1 30 TYR 1.40 0.03 1 32 LYS -2.20 0.27 1 33 TRP -3.50 0.46 1 35 ALA -2.60 -0.74 1 36 ALA 1.60 -0.66 1 37 LYS -4.30 0.23 1 38 ALA 0.00 -0.46 1 40 GLU -0.40 0.03 1 41 LYS 3.90 -0.36 1 42 THR -3.10 1.05 1 43 ILE -4.60 0.50 1 44 SER -5.60 1.73 1 45 VAL -4.90 0.61 1 46 VAL -1.90 0.94 1 47 LEU -4.50 0.59 1 48 GLN -2.60 0.44 1 49 LEU 0.90 0.14 1 50 GLU 3.00 -0.48 1 51 LYS -4.20 0.24 1 52 GLU 0.10 -0.15 1 53 GLU -6.20 0.49 1 54 GLN -1.50 0.51 1 55 ILE 1.30 -0.03 1 56 HIS -3.10 -0.13 1 57 SER -3.70 0.70 1 58 VAL -5.20 0.85 1 59 ASP -4.00 0.98 1 60 ILE -3.60 0.13 1 62 ASN -2.10 -0.07 1 63 ASP 1.10 -0.04 1 65 SER 3.50 -0.28 1 66 ALA 0.20 0.14 1 67 PHE -6.00 1.32 1 68 VAL -4.00 0.99 1 69 GLU -7.30 0.33 1 70 VAL -2.10 1.07 1 71 LEU -3.60 0.90 1 72 VAL -7.50 0.86 1 74 SER -4.50 1.17 1 75 SER 3.90 -0.50 1 76 ALA 0.60 0.06 1 79 ALA -0.20 0.03 1 81 GLU 1.30 -0.30 1 82 GLN 1.10 -0.03 1 83 ASP -0.20 0.10 1 84 TYR -2.60 0.25 1 85 GLU -4.80 0.29 1 86 VAL 4.00 -0.54 1 87 LEU -3.00 0.20 1 88 LEU -5.80 0.50 1 89 VAL 0.20 -0.10 1 90 THR 4.20 -0.47 1 91 SER -2.50 0.59 1 92 SER -0.10 0.49 1 93 PHE -2.60 -0.26 1 94 MET -7.00 0.10 1 95 SER 0.50 -0.02 1 97 SER 4.90 -0.45 1 98 GLU 3.20 -0.64 1 99 SER 5.00 -0.30 1 100 ARG 3.60 -0.28 1 101 SER -0.70 0.02 1 103 SER -0.60 -0.11 1 104 ASN 3.50 -0.51 1 106 ASN -1.80 0.60 1 107 ARG 4.50 0.23 1 108 VAL -2.60 1.11 1 109 ARG -4.20 0.25 1 110 MET -2.30 0.67 1 111 PHE -1.30 -0.05 1 114 ASP 2.40 -0.17 1 115 LYS -2.30 0.25 1 116 LEU -2.00 0.47 1 117 VAL 3.50 -0.25 1 118 ARG 5.60 -0.42 1 119 ALA 3.00 -0.19 1 120 ALA 0.70 0.34 1 121 ALA 2.00 0.05 1 122 GLU -0.20 -0.15 1 123 LYS -2.20 -0.04 1 124 ARG -3.30 0.23 1 125 TRP -7.00 0.42 1 126 ASP -1.50 0.49 1 127 ARG -5.50 1.02 1 128 VAL -6.10 0.85 1 129 LYS -6.00 1.14 1 130 ILE -1.80 0.77 1 131 VAL -2.20 0.82 1 133 SER -4.10 1.18 1 134 GLN 0.20 -0.47 1 136 TYR -0.20 0.13 1 137 SER -2.40 0.13 1 138 LYS -0.10 0.36 1 139 ASP 1.00 -0.11 1 140 SER -1.90 0.33 1 142 PHE -5.40 0.34 1 144 LEU -6.60 0.37 1 145 SER 2.00 0.00 1 146 PHE -1.20 0.27 1 147 VAL -4.70 0.86 1 148 ARG -4.80 0.23 1 149 PHE -4.40 0.45 1 150 HIS -3.80 0.76 1 151 SER 0.10 0.88 1 154 ASP 0.30 -0.07 1 155 LYS 0.30 -0.03 1 156 ASP 0.40 -0.04 1 157 GLU -0.50 -0.10 1 158 ALA 0.00 -0.03 1 159 GLU -0.90 -0.09 1 160 ALA 0.00 -0.02 1 162 SER 0.30 -0.07 1 163 GLN -0.20 0.03 1 164 LYS 0.40 -0.02 1 165 VAL 0.10 0.09 1 166 THR 0.00 0.03 1 167 VAL 0.30 0.06 1 168 THR 0.10 -0.01 1 169 LYS 0.50 0.01 1 170 LEU 0.30 0.00 1 172 GLN -0.00 -0.08 1 173 PHE -0.10 0.04 1 174 ARG -0.60 0.03 1 175 VAL 0.50 -0.05 1 176 LYS 0.30 -0.03 1 177 GLU -0.20 -0.09 1 178 GLU -0.30 -0.06 1 179 GLU -0.50 -0.07 1 180 GLU -0.30 -0.06 1 181 SER -0.10 -0.02 1 182 ALA -0.30 0.06 1 183 ASN 0.10 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4282_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 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _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 5.60 _LACS_plot.Line_2_terminator_val_y_2 1.78 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 SER 4.90 4.10 0 74 SER -4.50 2.00 0 86 VAL 4.00 -2.50 0 24 LEU 1.10 -4.10 0 10 VAL 2.70 -0.30 1 11 SER -2.60 -2.80 1 13 SER 3.60 0.30 1 14 SER -0.20 -1.30 1 15 GLN -3.10 -2.80 1 16 ASP -4.00 -1.30 1 17 SER 3.90 1.70 1 18 THR 4.70 1.10 1 19 HIS -0.70 1.00 1 21 ALA 3.40 1.60 1 22 GLU 3.00 2.00 1 23 ASN 3.80 2.70 1 25 LEU 2.20 -1.00 1 26 LYS -2.80 -0.90 1 27 ALA 1.10 -0.30 1 28 ASP -1.20 0.30 1 29 THR 1.30 -0.20 1 30 TYR 1.40 -2.90 1 32 LYS -2.20 -1.30 1 33 TRP -3.50 -2.10 1 34 ARG -8.50 -2.20 1 35 ALA -2.60 -1.80 1 36 ALA 1.60 -0.30 1 37 LYS -4.30 -1.50 1 38 ALA 0.00 0.20 1 40 GLU -0.40 0.30 1 41 LYS 3.90 0.50 1 42 THR -3.10 -1.30 1 43 ILE -4.60 -2.90 1 44 SER -5.60 -2.00 1 45 VAL -4.90 -5.00 1 46 VAL -1.90 -0.60 1 47 LEU -4.50 -3.30 1 48 GLN -2.60 -0.40 1 49 LEU 0.90 -0.40 1 50 GLU 3.00 -1.20 1 51 LYS -4.20 -3.30 1 52 GLU 0.10 -0.10 1 53 GLU -6.20 -1.30 1 54 GLN -1.50 -1.40 1 55 ILE 1.30 -1.80 1 56 HIS -3.10 -0.40 1 57 SER -3.70 -1.80 1 58 VAL -5.20 -3.40 1 59 ASP -4.00 -1.10 1 60 ILE -3.60 -3.00 1 62 ASN -2.10 0.90 1 63 ASP 1.10 -0.60 1 65 SER 3.50 -0.90 1 66 ALA 0.20 0.30 1 67 PHE -6.00 -1.10 1 68 VAL -4.00 -3.20 1 69 GLU -7.30 -1.90 1 70 VAL -2.10 -1.90 1 71 LEU -3.60 -2.90 1 72 VAL -7.50 -2.30 1 75 SER 3.90 0.90 1 76 ALA 0.60 0.60 1 79 ALA -0.20 0.70 1 81 GLU 1.30 0.80 1 82 GLN 1.10 -0.30 1 83 ASP -0.20 -0.60 1 84 TYR -2.60 0.00 1 85 GLU -4.80 -0.80 1 87 LEU -3.00 -2.90 1 88 LEU -5.80 -2.90 1 89 VAL 0.20 -1.60 1 90 THR 4.20 0.50 1 91 SER -2.50 -0.80 1 92 SER -0.10 1.10 1 93 PHE -2.60 0.60 1 94 MET -7.00 -1.70 1 98 GLU 3.20 2.50 1 99 SER 5.00 1.40 1 100 ARG 3.60 1.30 1 101 SER -0.70 0.80 1 103 SER -0.60 -2.90 1 106 ASN -1.80 0.90 1 107 ARG 4.50 -0.70 1 108 VAL -2.60 0.70 1 109 ARG -4.20 0.00 1 110 MET -2.30 -0.90 1 111 PHE -1.30 -1.50 1 114 ASP 2.40 0.80 1 115 LYS -2.30 -0.70 1 116 LEU -2.00 -0.60 1 117 VAL 3.50 1.90 1 118 ARG 5.60 1.60 1 119 ALA 3.00 2.40 1 120 ALA 0.70 2.10 1 121 ALA 2.00 1.20 1 122 GLU -0.20 0.20 1 123 LYS -2.20 -3.30 1 124 ARG -3.30 -0.90 1 125 TRP -7.00 -0.30 1 126 ASP -1.50 -1.70 1 127 ARG -5.50 -1.50 1 128 VAL -6.10 -3.20 1 129 LYS -6.00 -2.60 1 130 ILE -1.80 -1.60 1 131 VAL -2.20 0.70 1 133 SER -4.10 -0.30 1 136 TYR -0.20 -0.50 1 137 SER -2.40 -0.20 1 138 LYS -0.10 -0.50 1 139 ASP 1.00 0.10 1 142 PHE -5.40 -4.10 1 144 LEU -6.60 -2.30 1 145 SER 2.00 -0.40 1 146 PHE -1.20 -3.20 1 147 VAL -4.70 -3.00 1 148 ARG -4.80 -3.00 1 149 PHE -4.40 -1.40 1 150 HIS -3.80 1.40 1 154 ASP 0.30 0.20 1 155 LYS 0.30 -0.20 1 156 ASP 0.40 0.20 1 157 GLU -0.50 -0.20 1 158 ALA 0.00 0.10 1 159 GLU -0.90 -0.60 1 162 SER 0.30 0.30 1 163 GLN -0.20 -0.10 1 164 LYS 0.40 -0.70 1 165 VAL 0.10 0.00 1 166 THR 0.00 -0.20 1 167 VAL 0.30 0.00 1 168 THR 0.10 -0.20 1 169 LYS 0.50 0.00 1 170 LEU 0.30 0.50 1 172 GLN -0.00 -0.30 1 173 PHE -0.10 -0.30 1 174 ARG -0.60 0.30 1 175 VAL 0.50 -0.10 1 176 LYS 0.30 0.00 1 177 GLU -0.20 0.10 1 178 GLU -0.30 0.10 1 179 GLU -0.50 0.10 1 180 GLU -0.30 0.00 1 181 SER -0.10 -0.40 1 182 ALA -0.30 -1.10 1 stop_ save_