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 bmr16440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _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 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.54 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 7.22 _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 24 HIS -1.68 6.13 0 10 VAL 3.12 1.54 1 11 ASN -1.53 1.80 1 12 GLN -2.60 -0.06 1 13 VAL -0.82 -0.38 1 14 LYS -4.85 -1.72 1 15 VAL 1.06 0.12 1 16 LEU -1.03 -0.62 1 17 THR -1.73 -2.09 1 18 GLU -0.50 -0.26 1 19 SER 0.75 0.40 1 20 ASN 2.26 1.34 1 21 ARG 1.76 1.50 1 22 ILE -1.64 -1.38 1 23 SER -3.53 -1.79 1 27 ILE 6.24 3.67 1 28 LEU 3.71 2.38 1 29 ALA 2.46 2.50 1 30 ILE 5.21 4.81 1 31 VAL 5.87 4.14 1 33 THR 8.39 6.34 1 34 ALA 3.43 2.87 1 35 GLU 2.66 0.12 1 36 SER 4.12 3.38 1 37 ASN -0.34 -0.37 1 38 SER -1.48 -1.03 1 39 GLU -0.42 -0.86 1 40 HIS -1.20 1.76 1 42 LEU 4.50 3.39 1 44 THR 5.56 3.91 1 45 ALA 3.38 2.72 1 46 ILE 5.20 4.69 1 47 THR 9.47 7.48 1 48 LYS 4.19 3.70 1 49 TYR 3.35 3.58 1 51 LYS 5.21 4.39 1 52 GLN 3.36 2.87 1 53 GLU 0.57 1.45 1 54 LEU -1.05 -0.26 1 55 ASP 1.82 0.14 1 56 THR -3.31 -2.96 1 57 GLU -1.51 -0.44 1 58 THR -1.96 -1.17 1 59 LEU -1.43 -1.97 1 61 THR -0.65 -0.05 1 63 ILE -4.21 -1.25 1 64 ASP 2.94 0.70 1 65 PHE 1.96 2.35 1 66 GLN -3.54 -0.86 1 67 VAL -2.75 -1.67 1 68 VAL 0.38 0.24 1 73 ILE -6.88 -2.68 1 74 SER -5.03 -2.37 1 76 LYS -3.65 -1.23 1 77 VAL -5.73 -2.79 1 78 THR -3.02 -2.56 1 79 ASN 3.07 1.72 1 80 ILE -1.23 -1.08 1 81 GLU 4.72 3.28 1 83 LEU 0.72 0.16 1 84 LEU 0.60 -0.45 1 85 HIS -0.59 0.62 1 86 LYS 1.41 0.80 1 88 ASN 0.64 0.22 1 89 TRP -0.68 -0.62 1 90 ASN 0.29 0.06 1 91 ILE 0.58 0.29 1 92 GLU -0.16 0.21 1 93 ASP 0.50 0.41 1 94 ASN 0.34 0.36 1 95 ASN 1.01 0.59 1 97 LYS 1.11 0.50 1 98 ASN 0.43 0.20 1 99 ALA 0.89 0.87 1 100 SER 1.33 0.82 1 101 LEU 0.27 0.11 1 102 VAL 0.36 0.12 1 103 GLN -0.39 -0.13 1 104 ILE -0.03 -0.20 1 105 ASP -0.25 -0.06 1 106 ALA 0.21 0.27 1 107 SER 1.28 1.01 1 108 ASN 0.86 0.77 1 109 GLU 0.82 1.15 1 110 GLN 0.38 0.42 1 111 SER 0.39 0.32 1 112 SER -0.38 0.02 1 113 THR 0.30 -0.05 1 116 SER 0.39 0.07 1 117 MET -0.50 -0.02 1 118 ILE 1.19 0.76 1 119 ILE 0.57 -0.01 1 120 ASP 0.51 0.53 1 121 ALA 0.91 0.59 1 122 GLN 1.13 0.81 1 123 ILE 1.45 0.93 1 124 SER 1.21 0.85 1 125 ASN 1.56 0.96 1 126 ALA 1.59 1.21 1 127 LEU 1.47 0.86 1 128 ASN 1.38 1.14 1 129 ALA -0.74 -0.49 1 130 GLN 1.49 1.00 1 131 GLN -3.57 -2.00 1 132 TYR -2.78 -1.29 1 133 LYS 0.39 0.46 1 134 VAL -2.48 -0.74 1 135 LEU -6.07 -1.68 1 136 ILE -4.67 -1.51 1 138 ASN -2.05 -1.72 1 139 ARG 4.24 4.27 1 140 GLU 3.05 3.50 1 144 ARG 3.07 2.58 1 145 ASN -0.95 0.70 1 147 LEU -0.23 -1.06 1 148 VAL -1.44 -0.90 1 149 ILE 0.11 -2.15 1 150 ASN -0.38 -0.61 1 151 ASN 3.96 3.76 1 152 ASP 4.54 2.49 1 153 VAL 5.78 4.24 1 154 ASN 4.00 4.14 1 155 ASP 4.83 3.14 1 156 PHE 2.30 1.63 1 157 MET 3.90 4.22 1 158 THR 5.44 4.25 1 159 GLU 3.50 2.71 1 160 HIS 3.28 5.25 1 161 GLU 2.82 2.20 1 162 ARG 3.24 2.58 1 163 LYS 0.25 -0.78 1 165 ARG -1.86 -0.36 1 166 THR -0.27 0.28 1 167 ALA -4.68 -2.40 1 168 VAL -3.07 -1.59 1 169 LEU -3.51 -1.29 1 170 VAL -3.96 -1.75 1 171 ALA -6.21 -2.35 1 172 VAL -3.43 -2.13 1 173 ASP 3.49 2.00 1 174 ASP 3.59 1.64 1 175 GLU -4.45 -1.95 1 176 LEU 2.24 1.03 1 179 LEU -4.86 -1.26 1 180 ILE -3.02 -1.54 1 181 ALA -3.49 -2.76 1 182 ILE -3.58 -1.95 1 183 ALA -5.39 -2.19 1 184 ASP -0.51 0.05 1 185 THR -0.45 0.89 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 -2.25 _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 24 HIS -1.68 7.81 0 10 VAL 3.12 -1.58 1 11 ASN -1.53 3.33 1 12 GLN -2.60 2.54 1 13 VAL -0.82 0.44 1 14 LYS -4.85 3.13 1 15 VAL 1.06 -0.94 1 16 LEU -1.03 0.41 1 17 THR -1.73 -0.36 1 18 GLU -0.50 0.24 1 19 SER 0.75 -0.35 1 20 ASN 2.26 -0.92 1 21 ARG 1.76 -0.26 1 22 ILE -1.64 0.26 1 23 SER -3.53 1.74 1 27 ILE 6.24 -2.57 1 28 LEU 3.71 -1.33 1 29 ALA 2.46 0.04 1 30 ILE 5.21 -0.40 1 31 VAL 5.87 -1.73 1 33 THR 8.39 -2.05 1 34 ALA 3.43 -0.56 1 35 GLU 2.66 -2.54 1 36 SER 4.12 -0.74 1 37 ASN -0.34 -0.03 1 38 SER -1.48 0.45 1 39 GLU -0.42 -0.44 1 40 HIS -1.20 2.96 1 42 LEU 4.50 -1.11 1 44 THR 5.56 -1.65 1 45 ALA 3.38 -0.66 1 46 ILE 5.20 -0.51 1 47 THR 9.47 -1.99 1 48 LYS 4.19 -0.49 1 49 TYR 3.35 0.23 1 51 LYS 5.21 -0.82 1 52 GLN 3.36 -0.49 1 53 GLU 0.57 0.88 1 54 LEU -1.05 0.79 1 55 ASP 1.82 -1.68 1 56 THR -3.31 0.35 1 57 GLU -1.51 1.07 1 58 THR -1.96 0.79 1 59 LEU -1.43 -0.54 1 61 THR -0.65 0.60 1 63 ILE -4.21 2.96 1 64 ASP 2.94 -2.24 1 65 PHE 1.96 0.39 1 66 GLN -3.54 2.68 1 67 VAL -2.75 1.08 1 68 VAL 0.38 -0.14 1 73 ILE -6.88 4.20 1 74 SER -5.03 2.66 1 76 LYS -3.65 2.42 1 77 VAL -5.73 2.94 1 78 THR -3.02 0.46 1 79 ASN 3.07 -1.35 1 80 ILE -1.23 0.15 1 81 GLU 4.72 -1.44 1 83 LEU 0.72 -0.56 1 84 LEU 0.60 -1.05 1 85 HIS -0.59 1.21 1 86 LYS 1.41 -0.61 1 88 ASN 0.64 -0.42 1 89 TRP -0.68 0.06 1 90 ASN 0.29 -0.23 1 91 ILE 0.58 -0.29 1 92 GLU -0.16 0.37 1 93 ASP 0.50 -0.09 1 94 ASN 0.34 0.02 1 95 ASN 1.01 -0.42 1 97 LYS 1.11 -0.61 1 98 ASN 0.43 -0.23 1 99 ALA 0.89 -0.02 1 100 SER 1.33 -0.51 1 101 LEU 0.27 -0.16 1 102 VAL 0.36 -0.24 1 103 GLN -0.39 0.26 1 104 ILE -0.03 -0.17 1 105 ASP -0.25 0.19 1 106 ALA 0.21 0.06 1 107 SER 1.28 -0.27 1 108 ASN 0.86 -0.09 1 109 GLU 0.82 0.33 1 110 GLN 0.38 0.04 1 111 SER 0.39 -0.07 1 112 SER -0.38 0.40 1 113 THR 0.30 -0.35 1 116 SER 0.39 -0.32 1 117 MET -0.50 0.48 1 118 ILE 1.19 -0.43 1 119 ILE 0.57 -0.58 1 120 ASP 0.51 0.02 1 121 ALA 0.91 -0.32 1 122 GLN 1.13 -0.32 1 123 ILE 1.45 -0.52 1 124 SER 1.21 -0.36 1 125 ASN 1.56 -0.60 1 126 ALA 1.59 -0.38 1 127 LEU 1.47 -0.61 1 128 ASN 1.38 -0.24 1 129 ALA -0.74 0.25 1 130 GLN 1.49 -0.49 1 131 GLN -3.57 1.57 1 132 TYR -2.78 1.49 1 133 LYS 0.39 0.07 1 134 VAL -2.48 1.74 1 135 LEU -6.07 4.39 1 136 ILE -4.67 3.16 1 138 ASN -2.05 0.33 1 139 ARG 4.24 0.03 1 140 GLU 3.05 0.45 1 144 ARG 3.07 -0.49 1 145 ASN -0.95 1.65 1 147 LEU -0.23 -0.83 1 148 VAL -1.44 0.54 1 149 ILE 0.11 -2.26 1 150 ASN -0.38 -0.23 1 151 ASN 3.96 -0.20 1 152 ASP 4.54 -2.05 1 153 VAL 5.78 -1.54 1 154 ASN 4.00 0.14 1 155 ASP 4.83 -1.69 1 156 PHE 2.30 -0.67 1 157 MET 3.90 0.32 1 158 THR 5.44 -1.19 1 159 GLU 3.50 -0.79 1 160 HIS 3.28 1.97 1 161 GLU 2.82 -0.62 1 162 ARG 3.24 -0.66 1 163 LYS 0.25 -1.03 1 165 ARG -1.86 1.50 1 166 THR -0.27 0.55 1 167 ALA -4.68 2.28 1 168 VAL -3.07 1.48 1 169 LEU -3.51 2.22 1 170 VAL -3.96 2.21 1 171 ALA -6.21 3.86 1 172 VAL -3.43 1.30 1 173 ASP 3.49 -1.49 1 174 ASP 3.59 -1.95 1 175 GLU -4.45 2.50 1 176 LEU 2.24 -1.21 1 179 LEU -4.86 3.60 1 180 ILE -3.02 1.48 1 181 ALA -3.49 0.73 1 182 ILE -3.58 1.63 1 183 ALA -5.39 3.20 1 184 ASP -0.51 0.56 1 185 THR -0.45 1.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 0.79 _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 0.17 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 -0.93 _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 76 LYS -3.65 1.44 0 33 THR 8.39 -0.16 0 24 HIS -1.68 -0.82 0 10 VAL 3.12 -0.56 1 11 ASN -1.53 -0.14 1 12 GLN -2.60 0.08 1 13 VAL -0.82 0.49 1 14 LYS -4.85 0.41 1 15 VAL 1.06 0.30 1 16 LEU -1.03 0.00 1 17 THR -1.73 0.23 1 18 GLU -0.50 0.04 1 19 SER 0.75 -0.11 1 20 ASN 2.26 -0.15 1 21 ARG 1.76 -0.11 1 22 ILE -1.64 0.08 1 23 SER -3.53 0.15 1 27 ILE 6.24 -0.62 1 28 LEU 3.71 -0.37 1 29 ALA 2.46 -0.64 1 30 ILE 5.21 -0.71 1 31 VAL 5.87 -0.69 1 34 ALA 3.43 -0.06 1 35 GLU 2.66 -0.12 1 36 SER 4.12 -0.27 1 37 ASN -0.34 -0.12 1 38 SER -1.48 -0.18 1 39 GLU -0.42 -0.01 1 40 HIS -1.20 -0.37 1 42 LEU 4.50 -0.36 1 44 THR 5.56 -0.26 1 45 ALA 3.38 -0.14 1 46 ILE 5.20 -0.64 1 47 THR 9.47 -0.87 1 48 LYS 4.19 -0.47 1 49 TYR 3.35 -0.37 1 51 LYS 5.21 -0.58 1 52 GLN 3.36 -0.27 1 53 GLU 0.57 -0.54 1 54 LEU -1.05 -0.24 1 55 ASP 1.82 -0.42 1 56 THR -3.31 0.42 1 57 GLU -1.51 0.04 1 58 THR -1.96 0.07 1 59 LEU -1.43 0.35 1 61 THR -0.65 0.15 1 63 ILE -4.21 0.25 1 64 ASP 2.94 -0.33 1 65 PHE 1.96 -0.05 1 66 GLN -3.54 0.18 1 67 VAL -2.75 0.05 1 68 VAL 0.38 -0.03 1 73 ILE -6.88 0.89 1 74 SER -5.03 1.19 1 77 VAL -5.73 1.26 1 78 THR -3.02 0.73 1 79 ASN 3.07 0.03 1 80 ILE -1.23 0.23 1 81 GLU 4.72 -0.52 1 83 LEU 0.72 -0.12 1 84 LEU 0.60 0.01 1 85 HIS -0.59 -0.10 1 86 LYS 1.41 -0.18 1 88 ASN 0.64 -0.25 1 89 TRP -0.68 -0.02 1 90 ASN 0.29 -0.12 1 91 ILE 0.58 -0.11 1 92 GLU -0.16 -0.12 1 93 ASP 0.50 -0.12 1 94 ASN 0.34 -0.14 1 95 ASN 1.01 -0.11 1 97 LYS 1.11 -0.26 1 98 ASN 0.43 -0.48 1 99 ALA 0.89 -0.13 1 100 SER 1.33 -0.16 1 101 LEU 0.27 0.00 1 102 VAL 0.36 -0.06 1 103 GLN -0.39 0.00 1 104 ILE -0.03 -0.05 1 105 ASP -0.25 -0.11 1 106 ALA 0.21 -0.01 1 107 SER 1.28 -0.01 1 108 ASN 0.86 -0.14 1 109 GLU 0.82 -0.11 1 110 GLN 0.38 0.00 1 111 SER 0.39 -0.11 1 112 SER -0.38 -0.10 1 113 THR 0.30 0.05 1 116 SER 0.39 -0.01 1 117 MET -0.50 -0.13 1 118 ILE 1.19 -0.13 1 119 ILE 0.57 -0.08 1 120 ASP 0.51 -0.13 1 121 ALA 0.91 -0.06 1 122 GLN 1.13 -0.12 1 123 ILE 1.45 -0.14 1 124 SER 1.21 -0.05 1 125 ASN 1.56 -0.14 1 126 ALA 1.59 -0.12 1 127 LEU 1.47 -0.09 1 128 ASN 1.38 -0.03 1 129 ALA -0.74 0.05 1 130 GLN 1.49 -0.39 1 131 GLN -3.57 0.78 1 132 TYR -2.78 0.40 1 133 LYS 0.39 0.62 1 134 VAL -2.48 0.91 1 135 LEU -6.07 1.09 1 136 ILE -4.67 1.30 1 138 ASN -2.05 0.18 1 139 ARG 4.24 -0.64 1 140 GLU 3.05 -0.38 1 144 ARG 3.07 -0.29 1 145 ASN -0.95 -0.35 1 147 LEU -0.23 0.10 1 148 VAL -1.44 -0.15 1 149 ILE 0.11 -0.18 1 150 ASN -0.38 -0.09 1 151 ASN 3.96 -0.43 1 152 ASP 4.54 -0.48 1 153 VAL 5.78 -0.57 1 154 ASN 4.00 -0.43 1 155 ASP 4.83 -0.25 1 156 PHE 2.30 -0.10 1 157 MET 3.90 -0.61 1 158 THR 5.44 -0.20 1 159 GLU 3.50 -0.39 1 160 HIS 3.28 -0.51 1 161 GLU 2.82 0.16 1 162 ARG 3.24 -0.14 1 163 LYS 0.25 0.07 1 165 ARG -1.86 0.38 1 166 THR -0.27 0.10 1 167 ALA -4.68 0.95 1 168 VAL -3.07 0.05 1 169 LEU -3.51 0.68 1 170 VAL -3.96 0.90 1 171 ALA -6.21 1.19 1 172 VAL -3.43 0.80 1 173 ASP 3.49 -0.35 1 174 ASP 3.59 -0.70 1 175 GLU -4.45 0.25 1 176 LEU 2.24 0.03 1 179 LEU -4.86 0.79 1 180 ILE -3.02 0.52 1 181 ALA -3.49 0.77 1 182 ILE -3.58 0.41 1 183 ALA -5.39 0.52 1 184 ASP -0.51 0.05 1 185 THR -0.45 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.21 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.07 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 3.19 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 161 GLU 2.82 5.03 0 185 THR -0.45 4.34 0 10 VAL 3.12 -1.95 1 11 ASN -1.53 -0.70 1 12 GLN -2.60 -2.85 1 13 VAL -0.82 -2.24 1 14 LYS -4.85 -1.80 1 15 VAL 1.06 0.39 1 16 LEU -1.03 -1.11 1 17 THR -1.73 -0.96 1 18 GLU -0.50 0.41 1 19 SER 0.75 0.27 1 20 ASN 2.26 0.34 1 21 ARG 1.76 -0.16 1 22 ILE -1.64 -3.03 1 23 SER -3.53 -0.43 1 27 ILE 6.24 1.02 1 28 LEU 3.71 1.54 1 29 ALA 2.46 2.37 1 30 ILE 5.21 0.60 1 31 VAL 5.87 1.21 1 33 THR 8.39 1.83 1 34 ALA 3.43 0.24 1 35 GLU 2.66 2.05 1 36 SER 4.12 0.11 1 37 ASN -0.34 -0.92 1 38 SER -1.48 0.32 1 39 GLU -0.42 -0.83 1 40 HIS -1.20 2.43 1 42 LEU 4.50 1.04 1 44 THR 5.56 2.20 1 45 ALA 3.38 3.51 1 46 ILE 5.20 1.34 1 47 THR 9.47 1.19 1 48 LYS 4.19 1.96 1 49 TYR 3.35 1.18 1 51 LYS 5.21 2.11 1 52 GLN 3.36 3.55 1 53 GLU 0.57 1.88 1 54 LEU -1.05 -1.75 1 55 ASP 1.82 -2.59 1 56 THR -3.31 -2.66 1 57 GLU -1.51 -0.06 1 58 THR -1.96 -1.31 1 59 LEU -1.43 -1.58 1 61 THR -0.65 -2.57 1 63 ILE -4.21 -2.00 1 64 ASP 2.94 -1.90 1 65 PHE 1.96 -0.05 1 66 GLN -3.54 -2.88 1 67 VAL -2.75 -1.21 1 68 VAL 0.38 -0.72 1 74 SER -5.03 -2.19 1 76 LYS -3.65 -0.80 1 77 VAL -5.73 -1.71 1 78 THR -3.02 -1.96 1 79 ASN 3.07 -0.12 1 80 ILE -1.23 0.95 1 81 GLU 4.72 2.81 1 83 LEU 0.72 -0.09 1 84 LEU 0.60 -0.79 1 85 HIS -0.59 0.89 1 86 LYS 1.41 0.68 1 88 ASN 0.64 -0.30 1 89 TRP -0.68 -0.27 1 90 ASN 0.29 -0.25 1 91 ILE 0.58 -0.09 1 92 GLU -0.16 -0.23 1 93 ASP 0.50 0.02 1 94 ASN 0.34 0.11 1 95 ASN 1.01 0.43 1 97 LYS 1.11 0.01 1 98 ASN 0.43 0.05 1 99 ALA 0.89 0.09 1 100 SER 1.33 -0.10 1 101 LEU 0.27 -0.40 1 102 VAL 0.36 -0.48 1 103 GLN -0.39 -0.26 1 104 ILE -0.03 -0.58 1 105 ASP -0.25 -0.30 1 106 ALA 0.21 0.24 1 107 SER 1.28 0.06 1 108 ASN 0.86 0.12 1 109 GLU 0.82 0.09 1 110 GLN 0.38 0.23 1 111 SER 0.39 0.20 1 112 SER -0.38 0.37 1 113 THR 0.30 0.18 1 116 SER 0.39 -0.16 1 117 MET -0.50 -0.21 1 118 ILE 1.19 -0.11 1 119 ILE 0.57 -0.36 1 120 ASP 0.51 0.19 1 121 ALA 0.91 0.44 1 122 GLN 1.13 1.16 1 123 ILE 1.45 -1.42 1 124 SER 1.21 2.33 1 125 ASN 1.56 0.92 1 126 ALA 1.59 1.26 1 127 LEU 1.47 1.14 1 128 ASN 1.38 -0.07 1 129 ALA -0.74 -0.52 1 130 GLN 1.49 -0.20 1 131 GLN -3.57 -1.07 1 132 TYR -2.78 -0.55 1 133 LYS 0.39 -0.42 1 134 VAL -2.48 -1.67 1 135 LEU -6.07 -1.21 1 138 ASN -2.05 -0.37 1 139 ARG 4.24 0.61 1 140 GLU 3.05 0.28 1 144 ARG 3.07 0.88 1 145 ASN -0.95 -1.55 1 147 LEU -0.23 -2.25 1 148 VAL -1.44 -0.83 1 149 ILE 0.11 -1.00 1 150 ASN -0.38 0.08 1 151 ASN 3.96 1.44 1 152 ASP 4.54 1.98 1 153 VAL 5.78 1.81 1 154 ASN 4.00 3.02 1 155 ASP 4.83 2.54 1 156 PHE 2.30 0.85 1 157 MET 3.90 1.60 1 158 THR 5.44 1.54 1 159 GLU 3.50 1.97 1 160 HIS 3.28 4.52 1 162 ARG 3.24 1.60 1 163 LYS 0.25 -0.28 1 165 ARG -1.86 -1.02 1 166 THR -0.27 -2.07 1 167 ALA -4.68 -2.70 1 168 VAL -3.07 -2.11 1 169 LEU -3.51 -2.27 1 170 VAL -3.96 -2.11 1 171 ALA -6.21 -2.10 1 172 VAL -3.43 -0.10 1 173 ASP 3.49 -1.57 1 175 GLU -4.45 -0.81 1 176 LEU 2.24 -1.58 1 179 LEU -4.86 -3.53 1 180 ILE -3.02 -2.71 1 181 ALA -3.49 -1.60 1 182 ILE -3.58 -2.43 1 183 ALA -5.39 -2.32 1 184 ASP -0.51 -0.54 1 stop_ save_