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 bmr18728_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 -3.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 5.92 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 HIS -5.68 0.23 0 121 HIS 2.08 5.31 0 10 GLU -0.09 0.28 1 12 GLU 3.13 3.05 1 13 GLN 4.12 2.83 1 14 LEU 0.93 0.85 1 15 ARG 1.03 0.07 1 16 LYS -3.69 -0.90 1 17 LEU -4.43 -1.77 1 18 PHE -1.55 -0.55 1 19 ILE -0.05 -1.94 1 22 LEU -1.40 -0.91 1 23 SER 0.02 -0.67 1 24 PHE 4.53 2.50 1 25 GLU -0.16 -0.08 1 26 THR 4.28 3.06 1 27 THR -5.37 -2.44 1 28 ASP 5.10 3.95 1 29 GLU 4.39 3.68 1 31 LEU 2.85 2.97 1 32 ARG 3.96 3.71 1 33 SER 4.01 3.14 1 34 HIS 3.59 5.37 1 35 PHE 7.62 6.40 1 36 GLU 2.56 1.35 1 37 GLN 4.18 2.51 1 38 TRP 4.59 4.06 1 40 THR 1.09 1.10 1 41 LEU -1.62 -2.13 1 42 THR 3.05 0.87 1 43 ASP -3.12 0.03 1 45 VAL -5.57 -2.05 1 46 VAL 0.04 0.31 1 47 MET 1.90 -0.55 1 48 ARG -4.84 -1.69 1 49 ASP -2.07 -0.09 1 51 ASN 1.79 2.34 1 52 THR -0.71 0.26 1 53 LYS 5.51 1.70 1 54 ARG 0.08 0.23 1 55 SER 0.14 0.26 1 56 ARG -0.29 0.10 1 58 PHE -4.92 -2.78 1 60 PHE -5.54 -1.16 1 61 VAL -4.56 -2.78 1 62 THR -1.08 -0.77 1 63 TYR -3.02 0.40 1 64 ALA 2.80 2.77 1 65 THR -6.01 -2.62 1 66 VAL 4.69 3.33 1 67 GLU 4.82 3.83 1 68 GLU 3.10 2.79 1 69 VAL 6.00 4.19 1 70 ASP 4.41 3.19 1 71 ALA 3.71 2.71 1 72 ALA 3.87 2.75 1 73 MET 3.38 0.98 1 74 ASN 1.65 1.22 1 75 ALA -1.05 -1.23 1 76 ARG 1.09 1.09 1 78 HIS -2.68 1.23 1 79 LYS -1.82 -1.44 1 80 VAL -1.81 -1.46 1 81 ASP 3.09 1.68 1 83 ARG -4.45 -2.84 1 84 VAL 3.12 1.09 1 85 VAL -2.56 -2.70 1 86 GLU -3.42 -1.25 1 88 LYS -4.61 -1.10 1 89 ARG 1.66 1.21 1 90 ALA 1.49 1.21 1 91 VAL -1.23 -0.68 1 92 SER -0.40 -0.41 1 93 ARG 0.79 0.67 1 94 GLU 0.47 0.59 1 95 ASP 0.40 0.48 1 96 SER -0.06 0.66 1 97 GLN 0.11 0.02 1 98 ARG 0.19 0.10 1 101 ALA 0.58 0.66 1 102 HIS -0.14 1.31 1 103 LEU -0.18 -0.17 1 104 THR -0.42 -0.88 1 105 VAL -1.64 -0.32 1 106 LYS 0.09 0.23 1 107 LYS -5.97 -1.66 1 108 ILE -3.84 -2.09 1 109 PHE -3.13 -1.13 1 110 VAL -2.08 -1.71 1 118 GLU -5.83 -2.75 1 119 GLU 5.92 5.09 1 120 HIS 4.73 3.92 1 122 LEU 2.64 2.82 1 123 ARG 5.15 4.51 1 124 ASP 3.41 2.88 1 125 TYR 2.71 3.76 1 126 PHE 6.69 5.70 1 127 GLU 3.34 1.96 1 128 GLN 2.22 1.87 1 129 TYR 0.85 1.59 1 131 LYS 0.64 0.74 1 132 ILE -1.12 0.52 1 133 GLU -0.55 1.22 1 134 VAL -3.57 -0.94 1 135 ILE -1.81 -0.20 1 136 GLU -5.32 -1.96 1 137 ILE 1.64 0.24 1 138 MET 1.82 -0.24 1 139 THR -3.65 -1.42 1 140 ASP -1.64 -0.47 1 143 SER -1.51 0.13 1 145 LYS -0.33 -0.05 1 146 LYS 1.71 1.19 1 147 ARG 0.48 0.37 1 149 PHE -4.69 -2.42 1 150 ALA -8.73 -2.74 1 151 PHE -5.28 -1.63 1 152 VAL -1.72 -0.75 1 153 THR 0.24 0.13 1 154 PHE -1.71 0.40 1 155 ASP 0.43 1.91 1 156 ASP -4.95 -1.58 1 157 HIS 2.89 3.59 1 158 ASP 3.07 2.85 1 159 SER 4.32 3.61 1 160 VAL 5.82 4.31 1 161 ASP 4.41 3.60 1 162 LYS 2.40 2.60 1 163 ILE 3.73 4.10 1 164 VAL 4.12 1.94 1 165 ILE 2.89 2.23 1 166 GLN -1.74 -0.96 1 167 LYS 3.50 3.52 1 168 TYR -2.74 -1.48 1 170 THR 0.93 -0.18 1 171 VAL -2.75 -1.43 1 172 ASN 1.54 0.08 1 174 HIS -3.87 -1.28 1 175 ASN 1.36 0.65 1 177 GLU -2.95 -1.30 1 178 VAL -4.11 -2.49 1 179 ARG -5.07 -1.79 1 180 LYS 2.55 2.83 1 181 ALA -1.17 -1.07 1 182 LEU -1.16 -0.36 1 183 SER -0.84 -0.20 1 184 LYS 2.05 1.54 1 185 GLN 1.69 1.28 1 186 GLU 0.30 0.63 1 187 MET 0.72 0.67 1 188 ALA 0.45 0.41 1 189 SER 0.37 0.30 1 190 ALA 0.55 0.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18728_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 5.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 HIS -5.68 5.91 0 121 HIS 2.08 3.23 0 10 GLU -0.09 0.37 1 12 GLU 3.13 -0.08 1 13 GLN 4.12 -1.29 1 14 LEU 0.93 -0.08 1 15 ARG 1.03 -0.96 1 16 LYS -3.69 2.79 1 17 LEU -4.43 2.66 1 18 PHE -1.55 1.00 1 19 ILE -0.05 -1.89 1 22 LEU -1.40 0.49 1 23 SER 0.02 -0.69 1 24 PHE 4.53 -2.03 1 25 GLU -0.16 0.08 1 26 THR 4.28 -1.22 1 27 THR -5.37 2.93 1 28 ASP 5.10 -1.15 1 29 GLU 4.39 -0.71 1 31 LEU 2.85 0.12 1 32 ARG 3.96 -0.25 1 33 SER 4.01 -0.87 1 34 HIS 3.59 1.78 1 35 PHE 7.62 -1.22 1 36 GLU 2.56 -1.21 1 37 GLN 4.18 -1.67 1 38 TRP 4.59 -0.53 1 40 THR 1.09 0.01 1 41 LEU -1.62 -0.51 1 42 THR 3.05 -2.18 1 43 ASP -3.12 3.15 1 45 VAL -5.57 3.52 1 46 VAL 0.04 0.27 1 47 MET 1.90 -2.45 1 48 ARG -4.84 3.15 1 49 ASP -2.07 1.98 1 51 ASN 1.79 0.55 1 52 THR -0.71 0.97 1 53 LYS 5.51 -3.81 1 54 ARG 0.08 0.15 1 55 SER 0.14 0.12 1 56 ARG -0.29 0.39 1 58 PHE -4.92 2.14 1 60 PHE -5.54 4.38 1 61 VAL -4.56 1.78 1 62 THR -1.08 0.31 1 63 TYR -3.02 3.42 1 64 ALA 2.80 -0.03 1 65 THR -6.01 3.39 1 66 VAL 4.69 -1.36 1 67 GLU 4.82 -0.99 1 68 GLU 3.10 -0.31 1 69 VAL 6.00 -1.81 1 70 ASP 4.41 -1.22 1 71 ALA 3.71 -1.00 1 72 ALA 3.87 -1.12 1 73 MET 3.38 -2.40 1 74 ASN 1.65 -0.43 1 75 ALA -1.05 -0.18 1 76 ARG 1.09 0.00 1 78 HIS -2.68 3.91 1 79 LYS -1.82 0.38 1 80 VAL -1.81 0.35 1 81 ASP 3.09 -1.41 1 83 ARG -4.45 1.61 1 84 VAL 3.12 -2.03 1 85 VAL -2.56 -0.14 1 86 GLU -3.42 2.17 1 88 LYS -4.61 3.51 1 89 ARG 1.66 -0.45 1 90 ALA 1.49 -0.28 1 91 VAL -1.23 0.55 1 92 SER -0.40 -0.01 1 93 ARG 0.79 -0.12 1 94 GLU 0.47 0.12 1 95 ASP 0.40 0.08 1 96 SER -0.06 0.72 1 97 GLN 0.11 -0.09 1 98 ARG 0.19 -0.09 1 101 ALA 0.58 0.08 1 102 HIS -0.14 1.45 1 103 LEU -0.18 0.01 1 104 THR -0.42 -0.46 1 105 VAL -1.64 1.32 1 106 LYS 0.09 0.14 1 107 LYS -5.97 4.31 1 108 ILE -3.84 1.75 1 109 PHE -3.13 2.00 1 110 VAL -2.08 0.37 1 118 GLU -5.83 3.08 1 119 GLU 5.92 -0.83 1 120 HIS 4.73 -0.81 1 122 LEU 2.64 0.18 1 123 ARG 5.15 -0.64 1 124 ASP 3.41 -0.53 1 125 TYR 2.71 1.05 1 126 PHE 6.69 -0.99 1 127 GLU 3.34 -1.38 1 128 GLN 2.22 -0.35 1 129 TYR 0.85 0.74 1 131 LYS 0.64 0.10 1 132 ILE -1.12 1.64 1 133 GLU -0.55 1.77 1 134 VAL -3.57 2.63 1 135 ILE -1.81 1.61 1 136 GLU -5.32 3.36 1 137 ILE 1.64 -1.40 1 138 MET 1.82 -2.06 1 139 THR -3.65 2.23 1 140 ASP -1.64 1.17 1 143 SER -1.51 1.64 1 145 LYS -0.33 0.28 1 146 LYS 1.71 -0.52 1 147 ARG 0.48 -0.11 1 149 PHE -4.69 2.27 1 150 ALA -8.73 5.99 1 151 PHE -5.28 3.65 1 152 VAL -1.72 0.97 1 153 THR 0.24 -0.11 1 154 PHE -1.71 2.11 1 155 ASP 0.43 1.48 1 156 ASP -4.95 3.37 1 157 HIS 2.89 0.70 1 158 ASP 3.07 -0.22 1 159 SER 4.32 -0.71 1 160 VAL 5.82 -1.51 1 161 ASP 4.41 -0.81 1 162 LYS 2.40 0.20 1 163 ILE 3.73 0.37 1 164 VAL 4.12 -2.18 1 165 ILE 2.89 -0.66 1 166 GLN -1.74 0.78 1 167 LYS 3.50 0.02 1 168 TYR -2.74 1.26 1 170 THR 0.93 -1.11 1 171 VAL -2.75 1.32 1 172 ASN 1.54 -1.46 1 174 HIS -3.87 2.59 1 175 ASN 1.36 -0.71 1 177 GLU -2.95 1.65 1 178 VAL -4.11 1.62 1 179 ARG -5.07 3.28 1 180 LYS 2.55 0.28 1 181 ALA -1.17 0.10 1 182 LEU -1.16 0.80 1 183 SER -0.84 0.64 1 184 LYS 2.05 -0.51 1 185 GLN 1.69 -0.41 1 186 GLU 0.30 0.33 1 187 MET 0.72 -0.05 1 188 ALA 0.45 -0.04 1 189 SER 0.37 -0.07 1 190 ALA 0.55 -0.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18728_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 178 VAL -4.11 1.51 0 10 GLU -0.09 -0.02 1 12 GLU 3.13 -0.66 1 13 GLN 4.12 -0.36 1 14 LEU 0.93 -0.08 1 15 ARG 1.03 0.08 1 16 LYS -3.69 0.88 1 17 LEU -4.43 0.68 1 18 PHE -1.55 -0.04 1 19 ILE -0.05 -0.14 1 22 LEU -1.40 -0.31 1 23 SER 0.02 -0.35 1 24 PHE 4.53 -0.31 1 25 GLU -0.16 -0.10 1 26 THR 4.28 -0.26 1 27 THR -5.37 0.13 1 28 ASP 5.10 -0.72 1 29 GLU 4.39 -0.36 1 31 LEU 2.85 -0.26 1 32 ARG 3.96 -0.48 1 33 SER 4.01 -0.37 1 34 HIS 3.59 -0.38 1 35 PHE 7.62 -0.09 1 36 GLU 2.56 0.61 1 37 GLN 4.18 -0.63 1 38 TRP 4.59 -0.18 1 40 THR 1.09 -0.12 1 41 LEU -1.62 0.60 1 42 THR 3.05 -0.15 1 43 ASP -3.12 -0.02 1 45 VAL -5.57 0.46 1 46 VAL 0.04 -0.41 1 47 MET 1.90 -0.04 1 48 ARG -4.84 0.50 1 49 ASP -2.07 -0.24 1 51 ASN 1.79 -0.02 1 52 THR -0.71 -0.09 1 53 LYS 5.51 -0.40 1 54 ARG 0.08 -0.17 1 55 SER 0.14 -0.28 1 56 ARG -0.29 0.06 1 58 PHE -4.92 0.58 1 60 PHE -5.54 1.02 1 61 VAL -4.56 0.42 1 62 THR -1.08 0.72 1 63 TYR -3.02 0.81 1 64 ALA 2.80 -0.27 1 65 THR -6.01 0.55 1 66 VAL 4.69 -0.45 1 67 GLU 4.82 -0.31 1 68 GLU 3.10 -0.50 1 69 VAL 6.00 -0.95 1 70 ASP 4.41 -0.51 1 71 ALA 3.71 -0.25 1 72 ALA 3.87 -1.29 1 73 MET 3.38 -0.05 1 74 ASN 1.65 -0.11 1 75 ALA -1.05 -0.02 1 76 ARG 1.09 -1.04 1 78 HIS -2.68 -0.17 1 79 LYS -1.82 0.62 1 80 VAL -1.81 -0.16 1 81 ASP 3.09 -0.41 1 83 ARG -4.45 0.30 1 84 VAL 3.12 0.38 1 85 VAL -2.56 0.55 1 86 GLU -3.42 0.46 1 88 LYS -4.61 0.37 1 89 ARG 1.66 0.04 1 90 ALA 1.49 -0.06 1 91 VAL -1.23 0.06 1 92 SER -0.40 -0.05 1 93 ARG 0.79 -0.11 1 94 GLU 0.47 -0.17 1 95 ASP 0.40 -0.10 1 96 SER -0.06 -0.18 1 97 GLN 0.11 -0.04 1 98 ARG 0.19 -0.10 1 101 ALA 0.58 -0.18 1 102 HIS -0.14 -0.23 1 103 LEU -0.18 -0.08 1 104 THR -0.42 -0.13 1 105 VAL -1.64 0.21 1 106 LYS 0.09 0.18 1 107 LYS -5.97 1.30 1 108 ILE -3.84 0.94 1 109 PHE -3.13 0.08 1 110 VAL -2.08 0.38 1 118 GLU -5.83 0.28 1 119 GLU 5.92 -0.72 1 120 HIS 4.73 -0.47 1 121 HIS 2.08 -0.40 1 122 LEU 2.64 -0.16 1 123 ARG 5.15 -0.60 1 124 ASP 3.41 -0.35 1 125 TYR 2.71 -0.21 1 126 PHE 6.69 -0.11 1 127 GLU 3.34 0.53 1 128 GLN 2.22 -0.29 1 129 TYR 0.85 -0.22 1 131 LYS 0.64 0.00 1 132 ILE -1.12 -0.49 1 133 GLU -0.55 -0.03 1 134 VAL -3.57 0.20 1 135 ILE -1.81 0.29 1 136 GLU -5.32 0.29 1 137 ILE 1.64 -0.27 1 138 MET 1.82 0.20 1 139 THR -3.65 0.40 1 140 ASP -1.64 0.04 1 143 SER -1.51 0.06 1 145 LYS -0.33 -0.05 1 146 LYS 1.71 -0.13 1 147 ARG 0.48 -0.05 1 149 PHE -4.69 0.57 1 150 ALA -8.73 0.65 1 151 PHE -5.28 1.25 1 152 VAL -1.72 0.26 1 153 THR 0.24 0.65 1 154 PHE -1.71 0.22 1 155 ASP 0.43 -0.15 1 156 ASP -4.95 0.27 1 157 HIS 2.89 -0.39 1 158 ASP 3.07 -0.39 1 159 SER 4.32 -0.57 1 160 VAL 5.82 -1.21 1 161 ASP 4.41 -0.36 1 162 LYS 2.40 -0.29 1 163 ILE 3.73 -0.93 1 164 VAL 4.12 -0.03 1 165 ILE 2.89 -0.20 1 166 GLN -1.74 0.13 1 167 LYS 3.50 -0.33 1 168 TYR -2.74 0.91 1 169 HIS -5.68 -0.20 1 170 THR 0.93 0.37 1 171 VAL -2.75 -0.37 1 172 ASN 1.54 -0.67 1 174 HIS -3.87 0.13 1 175 ASN 1.36 0.05 1 177 GLU -2.95 0.31 1 179 ARG -5.07 0.41 1 180 LYS 2.55 -0.22 1 181 ALA -1.17 0.25 1 182 LEU -1.16 0.06 1 183 SER -0.84 -0.06 1 184 LYS 2.05 -0.22 1 185 GLN 1.69 -0.17 1 186 GLU 0.30 -0.22 1 187 MET 0.72 -0.19 1 188 ALA 0.45 -0.02 1 189 SER 0.37 -0.11 1 190 ALA 0.55 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18728_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.73 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 7.61 _LACS_plot.Line_2_terminator_val_y_2 2.26 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 121 HIS 2.08 5.61 0 12 GLU 3.13 1.38 1 13 GLN 4.12 1.58 1 14 LEU 0.93 -0.52 1 15 ARG 1.03 -3.30 1 17 LEU -4.43 -1.29 1 18 PHE -1.55 -1.44 1 19 ILE -0.05 -2.57 1 22 LEU -1.40 1.52 1 23 SER 0.02 3.24 1 24 PHE 4.53 -0.17 1 25 GLU -0.16 0.83 1 26 THR 4.28 -0.46 1 27 THR -5.37 -0.14 1 28 ASP 5.10 2.05 1 29 GLU 4.39 2.39 1 31 LEU 2.85 0.74 1 32 ARG 3.96 1.46 1 33 SER 4.01 1.82 1 34 HIS 3.59 3.41 1 35 PHE 7.62 3.26 1 36 GLU 2.56 -0.12 1 37 GLN 4.18 0.49 1 38 TRP 4.59 -2.44 1 40 THR 1.09 -0.94 1 41 LEU -1.62 0.76 1 42 THR 3.05 0.35 1 43 ASP -3.12 -1.66 1 45 VAL -5.57 -2.93 1 46 VAL 0.04 0.37 1 47 MET 1.90 -0.89 1 49 ASP -2.07 1.05 1 51 ASN 1.79 1.44 1 52 THR -0.71 1.32 1 53 LYS 5.51 -1.22 1 54 ARG 0.08 0.32 1 55 SER 0.14 1.15 1 56 ARG -0.29 1.66 1 58 PHE -4.92 -3.15 1 60 PHE -5.54 -0.87 1 61 VAL -4.56 -3.05 1 62 THR -1.08 -0.71 1 63 TYR -3.02 0.80 1 64 ALA 2.80 0.45 1 65 THR -6.01 -0.03 1 66 VAL 4.69 1.15 1 67 GLU 4.82 3.46 1 68 GLU 3.10 0.44 1 69 VAL 6.00 1.99 1 70 ASP 4.41 2.46 1 71 ALA 3.71 2.72 1 72 ALA 3.87 4.45 1 73 MET 3.38 3.11 1 74 ASN 1.65 -0.19 1 75 ALA -1.05 -2.49 1 78 HIS -2.68 -0.96 1 79 LYS -1.82 -1.74 1 80 VAL -1.81 -0.01 1 81 ASP 3.09 -0.56 1 83 ARG -4.45 -1.79 1 84 VAL 3.12 0.40 1 85 VAL -2.56 -1.33 1 88 LYS -4.61 -0.92 1 89 ARG 1.66 0.71 1 90 ALA 1.49 -0.35 1 91 VAL -1.23 -0.90 1 93 ARG 0.79 0.35 1 94 GLU 0.47 0.00 1 95 ASP 0.40 0.44 1 96 SER -0.06 0.00 1 97 GLN 0.11 -0.26 1 102 HIS -0.14 1.00 1 103 LEU -0.18 -0.58 1 104 THR -0.42 -0.51 1 105 VAL -1.64 -1.01 1 106 LYS 0.09 -3.12 1 107 LYS -5.97 -1.45 1 108 ILE -3.84 -1.87 1 109 PHE -3.13 -2.38 1 110 VAL -2.08 -2.20 1 118 GLU -5.83 1.03 1 119 GLU 5.92 2.69 1 120 HIS 4.73 2.47 1 122 LEU 2.64 0.42 1 123 ARG 5.15 0.72 1 124 ASP 3.41 1.76 1 125 TYR 2.71 1.79 1 126 PHE 6.69 2.41 1 127 GLU 3.34 1.34 1 128 GLN 2.22 0.66 1 129 TYR 0.85 -0.30 1 131 LYS 0.64 0.50 1 132 ILE -1.12 -0.56 1 133 GLU -0.55 -0.41 1 134 VAL -3.57 -3.44 1 135 ILE -1.81 -2.40 1 136 GLU -5.32 -1.72 1 137 ILE 1.64 -0.24 1 138 MET 1.82 0.42 1 139 THR -3.65 -1.06 1 143 SER -1.51 1.48 1 145 LYS -0.33 0.37 1 146 LYS 1.71 0.90 1 149 PHE -4.69 -3.39 1 150 ALA -8.73 -3.72 1 151 PHE -5.28 0.40 1 152 VAL -1.72 -2.37 1 153 THR 0.24 -0.65 1 154 PHE -1.71 -1.08 1 155 ASP 0.43 -0.63 1 156 ASP -4.95 0.09 1 157 HIS 2.89 2.75 1 158 ASP 3.07 1.93 1 159 SER 4.32 0.15 1 160 VAL 5.82 0.97 1 161 ASP 4.41 1.98 1 162 LYS 2.40 1.61 1 163 ILE 3.73 2.73 1 164 VAL 4.12 0.39 1 165 ILE 2.89 -0.39 1 166 GLN -1.74 -1.19 1 167 LYS 3.50 -1.10 1 168 TYR -2.74 -0.31 1 169 HIS -5.68 0.11 1 170 THR 0.93 -1.73 1 171 VAL -2.75 -0.30 1 172 ASN 1.54 -0.93 1 175 ASN 1.36 -0.28 1 177 GLU -2.95 -1.26 1 178 VAL -4.11 -0.58 1 179 ARG -5.07 -0.61 1 180 LYS 2.55 -0.57 1 181 ALA -1.17 -2.48 1 184 LYS 2.05 0.74 1 185 GLN 1.69 0.72 1 186 GLU 0.30 0.52 1 187 MET 0.72 0.14 1 188 ALA 0.45 0.31 1 189 SER 0.37 0.16 1 stop_ save_