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 bmr18215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _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 6.09 _LACS_plot.Line_2_terminator_val_y_2 4.54 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 181 THR -0.60 -4.81 0 10 ASP -0.73 -0.04 1 11 THR -1.02 -0.48 1 12 ASP 1.89 2.07 1 13 ASP 3.50 3.08 1 14 ALA 3.76 2.72 1 15 TRP 5.71 3.77 1 16 ARG 5.02 4.04 1 17 ALA 3.58 2.33 1 18 ARG 4.41 3.62 1 19 ILE 6.09 3.05 1 20 ALA 4.49 3.12 1 21 ALA 3.83 2.76 1 22 HIS 3.74 4.47 1 23 ARG 5.64 4.18 1 24 ALA 4.16 2.93 1 25 ASP 3.94 3.05 1 26 LYS 4.69 3.46 1 27 ASP 4.86 3.98 1 28 GLU 3.58 3.05 1 29 PHE 3.71 2.97 1 30 LEU 2.60 1.14 1 31 ALA -0.03 1.58 1 32 THR -2.92 0.43 1 33 HIS 0.18 4.29 1 34 ASP 3.18 3.21 1 35 GLN 0.87 -0.74 1 36 SER -1.47 -1.55 1 38 ILE 1.73 -0.84 1 41 ALA 2.58 2.07 1 42 ASP -0.87 0.28 1 43 ARG 5.45 4.72 1 45 ALA -1.59 -1.45 1 46 PHE 1.87 1.78 1 47 ASP -1.86 -1.58 1 49 LEU -0.03 -0.76 1 50 ARG -3.11 -2.40 1 51 TYR -5.59 0.22 1 52 PHE 0.17 1.30 1 53 ASP 1.23 0.77 1 54 ILE 4.01 3.06 1 55 ASP -2.97 -0.48 1 56 ALA 3.48 2.68 1 57 SER 4.12 2.73 1 58 PHE 0.65 1.19 1 59 ARG 0.73 -0.21 1 60 VAL -4.99 -2.89 1 61 ALA -1.55 -1.30 1 62 ALA -6.43 -2.93 1 63 ARG 0.55 -0.10 1 64 TYR -2.26 -0.68 1 65 GLN -2.82 -1.91 1 67 ALA -0.12 -0.74 1 68 ARG 2.60 1.80 1 69 ASP -1.37 -0.65 1 71 GLU -3.95 -1.20 1 72 ALA -0.29 -0.12 1 73 VAL -4.45 -1.85 1 74 GLU -2.61 -1.40 1 75 LEU -1.28 -1.38 1 76 GLU -0.72 0.13 1 77 THR -5.92 -2.42 1 78 THR 2.49 2.26 1 79 ARG -0.67 0.33 1 83 ALA -5.50 -1.94 1 84 GLU -1.73 -0.30 1 85 TYR -6.04 -0.75 1 86 THR -0.03 0.56 1 87 ARG 2.62 1.93 1 88 ALA -3.17 0.58 1 89 ALA -4.61 -0.93 1 90 VAL -2.01 -0.43 1 91 LEU -3.80 -2.49 1 93 PHE -3.54 -1.80 1 94 ASP -2.90 -1.15 1 95 LEU -2.34 -0.22 1 97 ASP 0.78 0.42 1 98 SER -2.63 -0.50 1 99 HIS -1.63 -0.48 1 100 HIS -6.08 -0.43 1 101 THR -4.77 -2.26 1 102 LEU -7.70 -1.88 1 103 THR 2.63 1.88 1 104 ALA -7.97 -3.42 1 105 PHE -3.69 -0.51 1 106 ARG -2.95 -0.37 1 107 VAL -1.14 -0.57 1 108 GLU 2.63 1.85 1 110 GLU -3.35 -1.52 1 111 SER 0.99 1.16 1 112 SER 0.31 0.54 1 113 LEU -2.98 -1.42 1 114 PHE -4.16 -2.00 1 115 VAL -0.63 -0.61 1 117 PHE -3.37 -0.52 1 118 THR -4.60 -1.89 1 119 ASP 0.50 0.96 1 120 GLU 4.66 3.82 1 121 THR 3.85 2.55 1 122 THR 4.48 3.59 1 123 ASP 2.65 2.44 1 124 ASP 0.10 -0.90 1 126 ARG 0.51 2.90 1 127 THR -3.37 -2.31 1 129 GLU 3.13 2.53 1 130 HIS -1.11 0.17 1 132 ARG -8.99 -1.77 1 133 TYR -6.56 -5.38 1 134 LEU -5.82 -1.01 1 135 ASP -1.35 -0.92 1 136 VAL -3.79 -1.21 1 137 ASP -2.39 -1.69 1 139 ALA 2.26 0.92 1 141 ALA 0.20 0.45 1 142 ASP -2.57 -1.23 1 145 ASP -0.76 0.04 1 146 GLU -3.48 -1.20 1 147 VAL -5.37 -3.12 1 148 ALA 0.05 -0.13 1 149 LEU -2.27 -1.77 1 150 ASP -2.56 -2.42 1 151 PHE 5.32 4.54 1 152 ASN 3.87 3.55 1 153 LEU 0.55 -0.21 1 154 ALA 0.74 1.33 1 155 TYR -4.77 -0.63 1 158 PHE 2.93 -0.55 1 160 ALA 2.83 1.62 1 161 TYR -1.45 -2.61 1 164 SER 0.63 -0.66 1 165 PHE -2.81 -0.15 1 166 SER 0.32 -0.83 1 168 ALA -0.06 0.00 1 169 LEU -1.26 -1.57 1 172 ALA 3.66 2.77 1 173 ASP 2.09 0.59 1 174 ASN -0.05 -1.76 1 175 HIS -1.10 0.31 1 176 VAL -1.16 -0.78 1 178 ALA -4.16 -1.38 1 179 ALA 0.98 -0.50 1 180 ILE 3.04 -1.58 1 182 ALA -5.56 -2.30 1 184 GLU -0.18 1.80 1 185 ARG -3.64 -1.96 1 186 VAL -3.92 -2.44 1 187 ASP -0.78 -0.24 1 188 ALA -0.10 0.27 1 189 ASP 0.51 0.21 1 190 LEU 1.05 0.71 1 191 GLU 0.42 0.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 5.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.39 _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 6.09 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 181 THR -0.60 -4.21 0 10 ASP -0.73 0.69 1 11 THR -1.02 0.54 1 12 ASP 1.89 0.18 1 13 ASP 3.50 -0.42 1 14 ALA 3.76 -1.04 1 15 TRP 5.71 -1.94 1 16 ARG 5.02 -0.98 1 17 ALA 3.58 -1.25 1 18 ARG 4.41 -0.79 1 19 ILE 6.09 -3.04 1 20 ALA 4.49 -1.37 1 21 ALA 3.83 -1.07 1 22 HIS 3.74 0.73 1 23 ARG 5.64 -1.46 1 24 ALA 4.16 -1.23 1 25 ASP 3.94 -0.89 1 26 LYS 4.69 -1.23 1 27 ASP 4.86 -0.88 1 28 GLU 3.58 -0.53 1 29 PHE 3.71 -0.74 1 30 LEU 2.60 -1.46 1 31 ALA -0.03 1.61 1 32 THR -2.92 3.35 1 33 HIS 0.18 4.11 1 34 ASP 3.18 0.03 1 35 GLN 0.87 -1.61 1 36 SER -1.47 -0.08 1 38 ILE 1.73 -2.57 1 41 ALA 2.58 -0.51 1 42 ASP -0.87 1.15 1 43 ARG 5.45 -0.73 1 45 ALA -1.59 0.14 1 46 PHE 1.87 -0.09 1 47 ASP -1.86 0.28 1 49 LEU -0.03 -0.73 1 50 ARG -3.11 0.71 1 51 TYR -5.59 5.81 1 52 PHE 0.17 1.13 1 53 ASP 1.23 -0.46 1 54 ILE 4.01 -0.95 1 55 ASP -2.97 2.49 1 56 ALA 3.48 -0.80 1 57 SER 4.12 -1.39 1 58 PHE 0.65 0.54 1 59 ARG 0.73 -0.94 1 60 VAL -4.99 2.10 1 61 ALA -1.55 0.25 1 62 ALA -6.43 3.50 1 63 ARG 0.55 -0.65 1 64 TYR -2.26 1.58 1 65 GLN -2.82 0.91 1 67 ALA -0.12 -0.62 1 68 ARG 2.60 -0.80 1 69 ASP -1.37 0.72 1 71 GLU -3.95 2.75 1 72 ALA -0.29 0.17 1 73 VAL -4.45 2.60 1 74 GLU -2.61 1.21 1 75 LEU -1.28 -0.10 1 76 GLU -0.72 0.85 1 77 THR -5.92 3.50 1 78 THR 2.49 -0.23 1 79 ARG -0.67 1.00 1 83 ALA -5.50 3.56 1 84 GLU -1.73 1.43 1 85 TYR -6.04 5.29 1 86 THR -0.03 0.59 1 87 ARG 2.62 -0.69 1 88 ALA -3.17 3.75 1 89 ALA -4.61 3.68 1 90 VAL -2.01 1.58 1 91 LEU -3.80 1.31 1 93 PHE -3.54 1.74 1 94 ASP -2.90 1.75 1 95 LEU -2.34 2.12 1 97 ASP 0.78 -0.36 1 98 SER -2.63 2.13 1 99 HIS -1.63 1.15 1 100 HIS -6.08 5.65 1 101 THR -4.77 2.51 1 102 LEU -7.70 5.82 1 103 THR 2.63 -0.75 1 104 ALA -7.97 4.55 1 105 PHE -3.69 3.18 1 106 ARG -2.95 2.58 1 107 VAL -1.14 0.57 1 108 GLU 2.63 -0.78 1 110 GLU -3.35 1.83 1 111 SER 0.99 0.17 1 112 SER 0.31 0.23 1 113 LEU -2.98 1.56 1 114 PHE -4.16 2.16 1 115 VAL -0.63 0.02 1 117 PHE -3.37 2.85 1 118 THR -4.60 2.71 1 119 ASP 0.50 0.46 1 120 GLU 4.66 -0.84 1 121 THR 3.85 -1.30 1 122 THR 4.48 -0.89 1 123 ASP 2.65 -0.21 1 124 ASP 0.10 -1.00 1 126 ARG 0.51 2.39 1 127 THR -3.37 1.06 1 129 GLU 3.13 -0.60 1 130 HIS -1.11 1.28 1 132 ARG -8.99 7.22 1 133 TYR -6.56 1.18 1 134 LEU -5.82 4.81 1 135 ASP -1.35 0.43 1 136 VAL -3.79 2.58 1 137 ASP -2.39 0.70 1 139 ALA 2.26 -1.34 1 141 ALA 0.20 0.25 1 142 ASP -2.57 1.34 1 145 ASP -0.76 0.80 1 146 GLU -3.48 2.28 1 147 VAL -5.37 2.25 1 148 ALA 0.05 -0.18 1 149 LEU -2.27 0.50 1 150 ASP -2.56 0.14 1 151 PHE 5.32 -0.78 1 152 ASN 3.87 -0.32 1 153 LEU 0.55 -0.76 1 154 ALA 0.74 0.59 1 155 TYR -4.77 4.14 1 158 PHE 2.93 -3.48 1 160 ALA 2.83 -1.21 1 161 TYR -1.45 -1.16 1 164 SER 0.63 -1.29 1 165 PHE -2.81 2.66 1 166 SER 0.32 -1.15 1 168 ALA -0.06 0.06 1 169 LEU -1.26 -0.31 1 172 ALA 3.66 -0.89 1 173 ASP 2.09 -1.50 1 174 ASN -0.05 -1.71 1 175 HIS -1.10 1.41 1 176 VAL -1.16 0.38 1 178 ALA -4.16 2.78 1 179 ALA 0.98 -1.48 1 180 ILE 3.04 -4.62 1 182 ALA -5.56 3.26 1 184 GLU -0.18 1.98 1 185 ARG -3.64 1.68 1 186 VAL -3.92 1.48 1 187 ASP -0.78 0.54 1 188 ALA -0.10 0.37 1 189 ASP 0.51 -0.30 1 190 LEU 1.05 -0.34 1 191 GLU 0.42 0.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.09 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 181 THR -0.60 -2.13 0 10 ASP -0.73 0.14 1 11 THR -1.02 0.02 1 12 ASP 1.89 0.16 1 13 ASP 3.50 -0.18 1 14 ALA 3.76 -0.13 1 15 TRP 5.71 -0.41 1 16 ARG 5.02 -1.39 1 17 ALA 3.58 -0.26 1 18 ARG 4.41 -0.22 1 19 ILE 6.09 -0.65 1 20 ALA 4.49 -0.46 1 21 ALA 3.83 -0.13 1 22 HIS 3.74 -0.35 1 23 ARG 5.64 -0.76 1 24 ALA 4.16 0.00 1 25 ASP 3.94 -0.26 1 26 LYS 4.69 -0.13 1 27 ASP 4.86 0.11 1 28 GLU 3.58 -0.15 1 29 PHE 3.71 -0.32 1 30 LEU 2.60 -0.79 1 31 ALA -0.03 -0.36 1 32 THR -2.92 0.25 1 33 HIS 0.18 -0.52 1 34 ASP 3.18 -0.32 1 35 GLN 0.87 0.12 1 36 SER -1.47 -0.86 1 38 ILE 1.73 -0.36 1 41 ALA 2.58 -0.15 1 42 ASP -0.87 0.23 1 43 ARG 5.45 -0.62 1 45 ALA -1.59 0.16 1 46 PHE 1.87 -0.26 1 47 ASP -1.86 -0.04 1 49 LEU -0.03 0.00 1 50 ARG -3.11 0.17 1 51 TYR -5.59 0.33 1 52 PHE 0.17 0.08 1 53 ASP 1.23 -0.08 1 54 ILE 4.01 -0.43 1 55 ASP -2.97 0.58 1 56 ALA 3.48 -0.31 1 57 SER 4.12 -0.34 1 58 PHE 0.65 -0.11 1 59 ARG 0.73 0.65 1 60 VAL -4.99 0.55 1 61 ALA -1.55 0.25 1 62 ALA -6.43 1.04 1 63 ARG 0.55 0.22 1 64 TYR -2.26 0.07 1 65 GLN -2.82 0.27 1 67 ALA -0.12 -0.10 1 68 ARG 2.60 -0.25 1 69 ASP -1.37 0.12 1 71 GLU -3.95 0.18 1 72 ALA -0.29 0.52 1 73 VAL -4.45 0.43 1 76 GLU -0.72 -0.18 1 77 THR -5.92 1.07 1 78 THR 2.49 -0.47 1 79 ARG -0.67 0.17 1 83 ALA -5.50 0.35 1 84 GLU -1.73 0.50 1 85 TYR -6.04 0.32 1 86 THR -0.03 0.57 1 87 ARG 2.62 -0.25 1 88 ALA -3.17 0.28 1 89 ALA -4.61 0.35 1 90 VAL -2.01 0.50 1 91 LEU -3.80 1.00 1 93 PHE -3.54 0.55 1 94 ASP -2.90 0.90 1 95 LEU -2.34 0.26 1 97 ASP 0.78 -0.07 1 98 SER -2.63 0.12 1 99 HIS -1.63 0.25 1 100 HIS -6.08 0.13 1 101 THR -4.77 1.17 1 102 LEU -7.70 0.45 1 103 THR 2.63 0.12 1 104 ALA -7.97 0.54 1 105 PHE -3.69 0.76 1 106 ARG -2.95 0.62 1 107 VAL -1.14 0.15 1 108 GLU 2.63 -0.32 1 110 GLU -3.35 0.41 1 111 SER 0.99 0.02 1 112 SER 0.31 0.11 1 113 LEU -2.98 0.64 1 114 PHE -4.16 0.77 1 115 VAL -0.63 0.15 1 117 PHE -3.37 1.00 1 118 THR -4.60 0.33 1 119 ASP 0.50 0.73 1 120 GLU 4.66 -0.01 1 121 THR 3.85 0.42 1 122 THR 4.48 -0.74 1 123 ASP 2.65 -0.22 1 124 ASP 0.10 0.00 1 126 ARG 0.51 -0.06 1 127 THR -3.37 0.16 1 129 GLU 3.13 -0.21 1 130 HIS -1.11 0.10 1 132 ARG -8.99 0.20 1 133 TYR -6.56 0.81 1 134 LEU -5.82 0.35 1 135 ASP -1.35 0.92 1 136 VAL -3.79 0.19 1 137 ASP -2.39 0.18 1 139 ALA 2.26 -0.35 1 141 ALA 0.20 -0.07 1 145 ASP -0.76 0.17 1 146 GLU -3.48 0.90 1 147 VAL -5.37 0.29 1 148 ALA 0.05 0.11 1 149 LEU -2.27 -0.22 1 150 ASP -2.56 0.65 1 151 PHE 5.32 -0.57 1 152 ASN 3.87 -0.36 1 153 LEU 0.55 0.18 1 154 ALA 0.74 0.92 1 155 TYR -4.77 0.86 1 158 PHE 2.93 -0.33 1 160 ALA 2.83 -0.51 1 161 TYR -1.45 0.35 1 164 SER 0.63 -0.03 1 165 PHE -2.81 -0.14 1 166 SER 0.32 0.00 1 168 ALA -0.06 0.27 1 169 LEU -1.26 0.20 1 172 ALA 3.66 -0.24 1 173 ASP 2.09 0.06 1 174 ASN -0.05 0.66 1 175 HIS -1.10 0.58 1 176 VAL -1.16 -0.15 1 178 ALA -4.16 0.06 1 179 ALA 0.98 0.09 1 180 ILE 3.04 -0.63 1 182 ALA -5.56 0.10 1 184 GLU -0.18 -0.14 1 186 VAL -3.92 0.44 1 187 ASP -0.78 -0.05 1 188 ALA -0.10 -0.06 1 189 ASP 0.51 -0.05 1 190 LEU 1.05 -0.15 1 191 GLU 0.42 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.99 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 6.09 _LACS_plot.Line_2_terminator_val_y_2 2.39 _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 65 GLN -2.82 7.24 0 10 ASP -0.73 0.21 1 11 THR -1.02 0.45 1 12 ASP 1.89 1.22 1 13 ASP 3.50 2.14 1 14 ALA 3.76 2.33 1 16 ARG 5.02 2.49 1 17 ALA 3.58 2.97 1 18 ARG 4.41 3.69 1 19 ILE 6.09 1.56 1 20 ALA 4.49 3.04 1 21 ALA 3.83 1.32 1 22 HIS 3.74 3.86 1 23 ARG 5.64 3.06 1 24 ALA 4.16 2.82 1 25 ASP 3.94 2.85 1 28 GLU 3.58 2.99 1 29 PHE 3.71 1.21 1 30 LEU 2.60 1.65 1 31 ALA -0.03 1.48 1 32 THR -2.92 0.11 1 33 HIS 0.18 2.64 1 34 ASP 3.18 2.30 1 35 GLN 0.87 -0.40 1 38 ILE 1.73 -1.51 1 41 ALA 2.58 0.46 1 42 ASP -0.87 1.55 1 43 ARG 5.45 1.89 1 45 ALA -1.59 -0.75 1 46 PHE 1.87 -0.47 1 49 LEU -0.03 -1.11 1 50 ARG -3.11 -1.43 1 51 TYR -5.59 2.54 1 52 PHE 0.17 0.57 1 53 ASP 1.23 1.67 1 54 ILE 4.01 -0.39 1 55 ASP -2.97 1.67 1 56 ALA 3.48 0.81 1 57 SER 4.12 -0.17 1 58 PHE 0.65 -3.09 1 59 ARG 0.73 -1.63 1 60 VAL -4.99 -2.18 1 61 ALA -1.55 -1.51 1 62 ALA -6.43 -1.49 1 63 ARG 0.55 -0.43 1 64 TYR -2.26 -1.78 1 67 ALA -0.12 -0.41 1 68 ARG 2.60 -0.43 1 69 ASP -1.37 0.89 1 71 GLU -3.95 -1.83 1 72 ALA -0.29 -0.46 1 73 VAL -4.45 -2.18 1 74 GLU -2.61 -0.34 1 75 LEU -1.28 -1.04 1 76 GLU -0.72 -1.15 1 77 THR -5.92 2.52 1 78 THR 2.49 1.31 1 79 ARG -0.67 -1.16 1 83 ALA -5.50 -2.14 1 84 GLU -1.73 -0.74 1 85 TYR -6.04 -0.75 1 86 THR -0.03 0.37 1 87 ARG 2.62 -2.27 1 88 ALA -3.17 0.79 1 89 ALA -4.61 -3.81 1 90 VAL -2.01 -2.00 1 91 LEU -3.80 -1.94 1 93 PHE -3.54 -4.71 1 94 ASP -2.90 -0.19 1 95 LEU -2.34 -0.41 1 97 ASP 0.78 -0.75 1 98 SER -2.63 -3.82 1 99 HIS -1.63 -0.94 1 100 HIS -6.08 -0.52 1 101 THR -4.77 -0.25 1 102 LEU -7.70 -2.07 1 103 THR 2.63 -2.72 1 104 ALA -7.97 -2.18 1 105 PHE -3.69 -1.33 1 106 ARG -2.95 -0.51 1 107 VAL -1.14 -0.35 1 108 GLU 2.63 0.79 1 110 GLU -3.35 0.17 1 111 SER 0.99 -0.24 1 112 SER 0.31 -1.11 1 113 LEU -2.98 -1.49 1 114 PHE -4.16 -1.28 1 115 VAL -0.63 -2.20 1 117 PHE -3.37 -3.85 1 118 THR -4.60 -1.07 1 119 ASP 0.50 -0.49 1 120 GLU 4.66 2.86 1 121 THR 3.85 2.18 1 122 THR 4.48 3.36 1 123 ASP 2.65 1.27 1 124 ASP 0.10 1.22 1 126 ARG 0.51 1.09 1 127 THR -3.37 -2.01 1 130 HIS -1.11 -0.14 1 132 ARG -8.99 -2.83 1 133 TYR -6.56 -0.78 1 134 LEU -5.82 -2.89 1 135 ASP -1.35 -0.27 1 136 VAL -3.79 -2.59 1 137 ASP -2.39 -1.22 1 139 ALA 2.26 0.19 1 141 ALA 0.20 -0.63 1 142 ASP -2.57 0.47 1 145 ASP -0.76 -1.17 1 146 GLU -3.48 -0.08 1 147 VAL -5.37 -2.40 1 148 ALA 0.05 -1.74 1 149 LEU -2.27 -4.46 1 150 ASP -2.56 1.04 1 151 PHE 5.32 1.41 1 152 ASN 3.87 1.11 1 153 LEU 0.55 -0.87 1 154 ALA 0.74 0.80 1 155 TYR -4.77 -2.11 1 158 PHE 2.93 1.76 1 160 ALA 2.83 0.08 1 161 TYR -1.45 0.09 1 164 SER 0.63 -0.95 1 165 PHE -2.81 -0.97 1 166 SER 0.32 0.40 1 168 ALA -0.06 -0.24 1 172 ALA 3.66 1.33 1 173 ASP 2.09 0.25 1 174 ASN -0.05 -2.01 1 175 HIS -1.10 1.09 1 178 ALA -4.16 -2.05 1 179 ALA 0.98 -2.38 1 180 ILE 3.04 -1.83 1 181 THR -0.60 -2.78 1 182 ALA -5.56 -2.14 1 185 ARG -3.64 -3.47 1 186 VAL -3.92 -1.08 1 187 ASP -0.78 -0.57 1 188 ALA -0.10 -0.31 1 189 ASP 0.51 0.37 1 190 LEU 1.05 0.30 1 191 GLU 0.42 -0.08 1 stop_ save_