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 bmr19325_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _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 -1.49 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.68 _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 168 THR -6.89 -8.32 0 10 ILE -3.13 -1.50 1 11 ASP -0.97 -1.03 1 12 ASN 0.30 -1.60 1 13 SER -0.72 0.60 1 14 GLU 3.26 3.16 1 15 TYR 2.67 3.17 1 16 SER 3.11 2.76 1 17 ARG 1.30 1.60 1 18 ASN 1.42 1.92 1 20 ASP 4.41 1.21 1 21 PHE -1.47 -0.28 1 23 ARG 5.00 6.50 1 24 THR -6.25 -1.45 1 25 ARG 5.07 5.40 1 26 PHE 4.79 4.29 1 27 GLU 3.56 3.60 1 28 ALA 3.40 2.20 1 29 GLN 3.39 3.99 1 30 ILE 8.00 5.50 1 31 ASP 3.62 3.20 1 32 SER 4.49 4.80 1 33 VAL 7.40 5.30 1 34 GLU 4.60 3.70 1 35 PHE 4.40 4.50 1 36 ILE 4.91 4.70 1 37 PHE 4.90 5.30 1 38 GLN 4.40 2.80 1 39 ALA 3.60 2.70 1 40 LYS 3.60 1.30 1 41 ARG 4.46 1.13 1 42 ASN 1.83 1.60 1 43 SER 2.72 2.40 1 44 ASN -1.43 1.10 1 46 GLU -0.91 -0.60 1 47 ASN 2.89 1.27 1 48 THR -5.10 -2.39 1 49 VAL -4.81 -1.08 1 51 LEU -5.79 -0.20 1 52 ILE -7.00 -1.70 1 53 SER -1.91 -2.00 1 55 ALA -3.70 -2.60 1 57 ALA 2.39 2.06 1 58 ASN -2.40 -0.20 1 60 ARG -4.55 -1.42 1 61 VAL 3.28 1.29 1 62 LEU -0.16 0.26 1 63 SER -1.86 0.05 1 64 THR 1.08 -0.40 1 65 PHE 4.11 3.38 1 66 THR -1.70 -1.19 1 67 ALA -1.70 -1.10 1 68 GLU -2.61 -1.60 1 69 PHE 4.60 3.17 1 71 LYS 3.16 2.60 1 72 ILE 4.75 0.80 1 73 LEU 3.60 2.50 1 74 ALA 3.80 2.50 1 76 LEU 3.28 2.48 1 77 HIS 2.35 2.33 1 78 ASP -1.02 -0.10 1 79 THR 1.69 1.47 1 80 GLN -3.70 -2.10 1 81 ILE 1.40 0.30 1 82 GLU -2.18 -0.90 1 84 LYS -4.88 -2.30 1 85 LEU 0.30 0.60 1 86 HIS 0.06 -1.90 1 87 MET 5.46 5.51 1 88 ALA 5.10 3.20 1 89 THR 6.06 4.90 1 90 ALA 4.22 3.42 1 91 LEU 3.86 3.21 1 92 GLN 4.85 3.95 1 93 ILE 4.86 3.75 1 94 ALA 4.83 3.47 1 95 GLN 6.10 4.50 1 96 LEU 3.69 3.20 1 97 THR 6.44 5.39 1 98 LEU 4.27 3.80 1 99 LYS 3.80 3.00 1 100 HIS -0.40 0.40 1 101 ARG 2.76 -0.24 1 102 GLN 3.22 3.10 1 103 ASN -0.50 -1.70 1 104 LYS 2.61 1.00 1 105 VAL 2.68 1.21 1 106 GLN 0.67 0.90 1 107 HIS 1.21 0.91 1 108 GLN -5.02 0.31 1 109 ARG -4.07 -1.20 1 110 ILE -4.12 -1.40 1 111 VAL -1.52 -1.42 1 112 ALA -4.70 -2.80 1 113 PHE -3.89 -0.80 1 114 VAL -2.50 -0.50 1 116 SER 0.02 -0.20 1 118 ILE 0.75 1.05 1 119 SER -0.40 0.00 1 120 ASP -2.30 0.40 1 121 SER -1.85 -0.70 1 122 ARG 5.20 4.30 1 123 ASP 3.90 3.50 1 124 GLU 2.80 2.50 1 125 LEU 3.90 3.10 1 126 ILE 5.52 2.10 1 127 ARG 5.20 4.40 1 128 LEU 3.06 2.60 1 129 ALA 3.10 3.10 1 130 LYS 4.66 3.74 1 131 THR 6.00 5.00 1 132 LEU 5.54 3.80 1 133 LYS 4.10 3.80 1 134 LYS 3.70 2.70 1 135 ASN -0.32 0.58 1 136 ASN 3.90 1.60 1 137 VAL 0.60 0.10 1 138 ALA -3.30 -1.60 1 139 VAL -4.70 -1.90 1 140 ASP -5.80 -1.60 1 141 ILE -4.70 -2.90 1 142 ILE 1.40 0.37 1 143 ASN -4.78 -1.80 1 144 PHE -4.31 -2.50 1 146 GLU -0.30 -3.20 1 147 ILE 4.45 2.60 1 148 GLU 4.72 3.50 1 149 GLN 1.60 1.70 1 150 ASN -1.50 1.10 1 151 THR 9.60 8.20 1 152 GLU 4.65 3.88 1 153 LEU 2.79 2.80 1 154 LEU 2.84 2.40 1 155 ASP 2.88 3.40 1 156 GLU 3.60 3.20 1 157 PHE 4.60 4.60 1 158 ILE 2.42 -0.90 1 159 ALA 3.30 2.10 1 160 ALA 1.25 1.25 1 161 VAL -0.29 -0.26 1 165 GLN 1.22 1.10 1 166 GLU -1.66 -1.20 1 167 GLU -1.30 -0.90 1 170 HIS -2.08 0.70 1 171 LEU -3.46 -1.60 1 172 LEU -3.90 -1.60 1 173 THR 0.90 0.40 1 174 VAL -2.62 -0.90 1 175 THR 0.19 -0.61 1 179 ARG -0.70 -0.60 1 180 LEU -0.92 -1.10 1 181 LEU 5.82 4.85 1 182 TYR 5.31 2.61 1 183 GLU 1.81 1.85 1 184 ASN 2.30 3.20 1 185 ILE 4.23 3.73 1 186 ALA 2.60 2.70 1 187 SER -1.10 -1.20 1 188 SER -2.20 0.90 1 190 ILE 4.26 3.07 1 191 ILE -2.04 -2.28 1 192 LEU 0.10 0.00 1 193 GLU -0.70 -0.20 1 194 GLU 0.03 0.40 1 196 SER -0.07 0.20 1 197 SER 0.40 0.60 1 199 MET 0.47 0.40 1 201 ALA 0.10 0.10 1 202 PHE 0.20 0.00 1 205 SER 0.00 0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19325_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 4.58 _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 0.51 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -1.91 _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 168 THR -6.89 -1.43 0 10 ILE -3.13 1.63 1 11 ASP -0.97 -0.06 1 12 ASN 0.30 -1.90 1 13 SER -0.72 1.32 1 14 GLU 3.26 -0.10 1 15 TYR 2.67 0.50 1 16 SER 3.11 -0.35 1 17 ARG 1.30 0.30 1 18 ASN 1.42 0.50 1 20 ASP 4.41 -3.20 1 21 PHE -1.47 1.19 1 23 ARG 5.00 1.50 1 24 THR -6.25 4.80 1 25 ARG 5.07 0.33 1 26 PHE 4.79 -0.50 1 27 GLU 3.56 0.04 1 28 ALA 3.40 -1.20 1 29 GLN 3.39 0.60 1 30 ILE 8.00 -2.50 1 31 ASP 3.62 -0.42 1 32 SER 4.49 0.31 1 33 VAL 7.40 -2.10 1 34 GLU 4.60 -0.90 1 35 PHE 4.40 0.10 1 36 ILE 4.91 -0.21 1 37 PHE 4.90 0.40 1 38 GLN 4.40 -1.60 1 39 ALA 3.60 -0.90 1 40 LYS 3.60 -2.30 1 41 ARG 4.46 -3.33 1 42 ASN 1.83 -0.23 1 43 SER 2.72 -0.32 1 44 ASN -1.43 2.53 1 46 GLU -0.91 0.31 1 47 ASN 2.89 -1.62 1 48 THR -5.10 2.71 1 49 VAL -4.81 3.73 1 51 LEU -5.79 5.59 1 52 ILE -7.00 5.30 1 53 SER -1.91 -0.09 1 55 ALA -3.70 1.10 1 57 ALA 2.39 -0.33 1 58 ASN -2.40 2.20 1 60 ARG -4.55 3.13 1 61 VAL 3.28 -1.99 1 62 LEU -0.16 0.42 1 63 SER -1.86 1.91 1 64 THR 1.08 -1.48 1 65 PHE 4.11 -0.73 1 66 THR -1.70 0.51 1 67 ALA -1.70 0.60 1 68 GLU -2.61 1.01 1 69 PHE 4.60 -1.43 1 71 LYS 3.16 -0.56 1 72 ILE 4.75 -3.95 1 73 LEU 3.60 -1.10 1 74 ALA 3.80 -1.30 1 76 LEU 3.28 -0.80 1 77 HIS 2.35 -0.02 1 78 ASP -1.02 0.92 1 79 THR 1.69 -0.22 1 80 GLN -3.70 1.60 1 81 ILE 1.40 -1.10 1 82 GLU -2.18 1.28 1 84 LYS -4.88 2.58 1 85 LEU 0.30 0.30 1 86 HIS 0.06 -1.96 1 87 MET 5.46 0.05 1 88 ALA 5.10 -1.90 1 89 THR 6.06 -1.16 1 90 ALA 4.22 -0.80 1 91 LEU 3.86 -0.65 1 92 GLN 4.85 -0.90 1 93 ILE 4.86 -1.11 1 94 ALA 4.83 -1.36 1 95 GLN 6.10 -1.60 1 96 LEU 3.69 -0.49 1 97 THR 6.44 -1.05 1 98 LEU 4.27 -0.47 1 99 LYS 3.80 -0.80 1 100 HIS -0.40 0.80 1 101 ARG 2.76 -3.00 1 102 GLN 3.22 -0.12 1 103 ASN -0.50 -1.20 1 104 LYS 2.61 -1.61 1 105 VAL 2.68 -1.47 1 106 GLN 0.67 0.23 1 107 HIS 1.21 -0.30 1 108 GLN -5.02 5.33 1 109 ARG -4.07 2.87 1 110 ILE -4.12 2.72 1 111 VAL -1.52 0.10 1 112 ALA -4.70 1.90 1 113 PHE -3.89 3.09 1 114 VAL -2.50 2.00 1 116 SER 0.02 -0.22 1 118 ILE 0.75 0.30 1 119 SER -0.40 0.40 1 120 ASP -2.30 2.70 1 121 SER -1.85 1.15 1 122 ARG 5.20 -0.90 1 123 ASP 3.90 -0.40 1 124 GLU 2.80 -0.30 1 125 LEU 3.90 -0.80 1 126 ILE 5.52 -3.42 1 127 ARG 5.20 -0.80 1 128 LEU 3.06 -0.46 1 129 ALA 3.10 0.00 1 130 LYS 4.66 -0.92 1 131 THR 6.00 -1.00 1 132 LEU 5.54 -1.74 1 133 LYS 4.10 -0.30 1 134 LYS 3.70 -1.00 1 135 ASN -0.32 0.90 1 136 ASN 3.90 -2.30 1 137 VAL 0.60 -0.50 1 138 ALA -3.30 1.70 1 139 VAL -4.70 2.80 1 140 ASP -5.80 4.20 1 141 ILE -4.70 1.80 1 142 ILE 1.40 -1.03 1 143 ASN -4.78 2.98 1 144 PHE -4.31 1.81 1 146 GLU -0.30 -2.90 1 147 ILE 4.45 -1.85 1 148 GLU 4.72 -1.22 1 149 GLN 1.60 0.10 1 150 ASN -1.50 2.60 1 151 THR 9.60 -1.40 1 152 GLU 4.65 -0.77 1 153 LEU 2.79 0.01 1 154 LEU 2.84 -0.44 1 155 ASP 2.88 0.52 1 156 GLU 3.60 -0.40 1 157 PHE 4.60 0.00 1 158 ILE 2.42 -3.32 1 159 ALA 3.30 -1.20 1 160 ALA 1.25 0.00 1 161 VAL -0.29 0.03 1 165 GLN 1.22 -0.12 1 166 GLU -1.66 0.46 1 167 GLU -1.30 0.40 1 170 HIS -2.08 2.78 1 171 LEU -3.46 1.86 1 172 LEU -3.90 2.30 1 173 THR 0.90 -0.50 1 174 VAL -2.62 1.72 1 175 THR 0.19 -0.80 1 179 ARG -0.70 0.10 1 180 LEU -0.92 -0.18 1 181 LEU 5.82 -0.97 1 182 TYR 5.31 -2.70 1 183 GLU 1.81 0.04 1 184 ASN 2.30 0.90 1 185 ILE 4.23 -0.50 1 186 ALA 2.60 0.10 1 187 SER -1.10 -0.10 1 188 SER -2.20 3.10 1 190 ILE 4.26 -1.19 1 191 ILE -2.04 -0.24 1 192 LEU 0.10 -0.10 1 193 GLU -0.70 0.50 1 194 GLU 0.03 0.37 1 196 SER -0.07 0.27 1 197 SER 0.40 0.20 1 199 MET 0.47 -0.07 1 201 ALA 0.10 0.00 1 202 PHE 0.20 -0.20 1 205 SER 0.00 0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19325_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _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 9.59 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _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 168 THR -6.89 -0.02 0 49 VAL -4.81 1.76 0 10 ILE -3.13 0.74 1 11 ASP -0.97 0.07 1 12 ASN 0.30 0.29 1 13 SER -0.72 -0.45 1 14 GLU 3.26 -0.48 1 15 TYR 2.67 -0.45 1 16 SER 3.11 -0.07 1 17 ARG 1.30 -0.09 1 18 ASN 1.42 -0.30 1 20 ASP 4.41 -0.50 1 21 PHE -1.47 -0.22 1 23 ARG 5.00 -0.24 1 24 THR -6.25 0.64 1 25 ARG 5.07 0.03 1 26 PHE 4.79 -0.19 1 27 GLU 3.56 -0.66 1 28 ALA 3.40 0.26 1 29 GLN 3.39 -1.01 1 30 ILE 8.00 -0.91 1 31 ASP 3.62 -0.23 1 32 SER 4.49 0.00 1 33 VAL 7.40 -0.51 1 34 GLU 4.60 -0.69 1 35 PHE 4.40 -0.58 1 36 ILE 4.91 -0.69 1 37 PHE 4.90 -0.74 1 38 GLN 4.40 -0.48 1 39 ALA 3.60 -0.33 1 40 LYS 3.60 -0.23 1 41 ARG 4.46 -0.36 1 42 ASN 1.83 -0.31 1 43 SER 2.72 -0.23 1 44 ASN -1.43 -0.25 1 46 GLU -0.91 0.10 1 47 ASN 2.89 0.09 1 48 THR -5.10 0.44 1 51 LEU -5.79 1.27 1 52 ILE -7.00 0.99 1 53 SER -1.91 0.26 1 55 ALA -3.70 1.05 1 57 ALA 2.39 -0.06 1 58 ASN -2.40 -0.48 1 60 ARG -4.55 0.38 1 61 VAL 3.28 -0.11 1 62 LEU -0.16 0.05 1 63 SER -1.86 0.18 1 64 THR 1.08 -0.36 1 65 PHE 4.11 -0.65 1 66 THR -1.70 0.57 1 67 ALA -1.70 0.56 1 68 GLU -2.61 0.39 1 69 PHE 4.60 -1.34 1 71 LYS 3.16 -0.19 1 72 ILE 4.75 -0.59 1 73 LEU 3.60 -0.84 1 74 ALA 3.80 -0.31 1 76 LEU 3.28 -0.38 1 77 HIS 2.35 -0.15 1 78 ASP -1.02 0.23 1 79 THR 1.69 -0.07 1 80 GLN -3.70 0.13 1 81 ILE 1.40 0.03 1 82 GLU -2.18 0.14 1 84 LYS -4.88 0.48 1 85 LEU 0.30 -0.64 1 86 HIS 0.06 0.38 1 87 MET 5.46 -0.71 1 88 ALA 5.10 -0.49 1 89 THR 6.06 -0.37 1 90 ALA 4.22 -0.41 1 91 LEU 3.86 -0.27 1 92 GLN 4.85 -0.14 1 93 ILE 4.86 -0.30 1 94 ALA 4.83 -0.45 1 95 GLN 6.10 -0.42 1 96 LEU 3.69 -0.28 1 97 THR 6.44 -0.37 1 98 LEU 4.27 -0.22 1 99 LYS 3.80 -0.46 1 100 HIS -0.40 0.02 1 101 ARG 2.76 -0.05 1 102 GLN 3.22 -0.29 1 103 ASN -0.50 0.12 1 104 LYS 2.61 -0.43 1 105 VAL 2.68 -0.31 1 106 GLN 0.67 -0.64 1 107 HIS 1.21 -0.02 1 108 GLN -5.02 0.42 1 109 ARG -4.07 1.16 1 110 ILE -4.12 0.80 1 111 VAL -1.52 0.99 1 112 ALA -4.70 1.20 1 113 PHE -3.89 0.43 1 114 VAL -2.50 0.30 1 116 SER 0.02 -0.64 1 118 ILE 0.75 -0.18 1 119 SER -0.40 0.17 1 120 ASP -2.30 0.10 1 121 SER -1.85 -0.09 1 122 ARG 5.20 -0.44 1 123 ASP 3.90 -0.34 1 124 GLU 2.80 -0.27 1 125 LEU 3.90 -0.16 1 126 ILE 5.52 -0.29 1 127 ARG 5.20 -0.34 1 128 LEU 3.06 -0.09 1 129 ALA 3.10 -0.73 1 130 LYS 4.66 -0.40 1 131 THR 6.00 -0.36 1 132 LEU 5.54 -0.45 1 133 LYS 4.10 -0.15 1 134 LYS 3.70 -0.20 1 135 ASN -0.32 -0.02 1 136 ASN 3.90 -0.01 1 137 VAL 0.60 -0.01 1 138 ALA -3.30 0.10 1 139 VAL -4.70 1.10 1 140 ASP -5.80 1.57 1 141 ILE -4.70 1.00 1 142 ILE 1.40 0.37 1 143 ASN -4.78 0.44 1 144 PHE -4.31 0.48 1 146 GLU -0.30 0.51 1 147 ILE 4.45 -0.10 1 148 GLU 4.72 -0.21 1 149 GLN 1.60 0.05 1 150 ASN -1.50 0.21 1 151 THR 9.60 -0.72 1 152 GLU 4.65 -0.29 1 153 LEU 2.79 -0.09 1 154 LEU 2.84 -0.25 1 155 ASP 2.88 -0.26 1 156 GLU 3.60 -0.31 1 157 PHE 4.60 -0.77 1 158 ILE 2.42 -0.24 1 159 ALA 3.30 -0.18 1 160 ALA 1.25 -0.11 1 161 VAL -0.29 -0.02 1 165 GLN 1.22 -0.05 1 166 GLU -1.66 0.24 1 170 HIS -2.08 0.19 1 171 LEU -3.46 0.73 1 172 LEU -3.90 0.54 1 173 THR 0.90 0.94 1 174 VAL -2.62 0.30 1 175 THR 0.19 0.31 1 179 ARG -0.70 0.01 1 180 LEU -0.92 0.11 1 181 LEU 5.82 -0.36 1 182 TYR 5.31 -0.48 1 183 GLU 1.81 -0.85 1 184 ASN 2.30 -0.39 1 185 ILE 4.23 -0.76 1 186 ALA 2.60 -0.31 1 187 SER -1.10 0.21 1 188 SER -2.20 0.40 1 190 ILE 4.26 -0.93 1 191 ILE -2.04 0.07 1 192 LEU 0.10 -0.05 1 193 GLU -0.70 -0.05 1 194 GLU 0.03 -0.06 1 196 SER -0.07 0.07 1 197 SER 0.40 0.03 1 199 MET 0.47 0.04 1 201 ALA 0.10 -0.03 1 202 PHE 0.20 0.03 1 205 SER 0.00 0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19325_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.00 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 3.74 _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 28 ALA 3.40 5.90 0 151 THR 9.60 -0.40 0 10 ILE -3.13 -2.20 1 11 ASP -0.97 -1.80 1 12 ASN 0.30 -2.20 1 13 SER -0.72 2.90 1 14 GLU 3.26 2.20 1 15 TYR 2.67 2.30 1 16 SER 3.11 -1.20 1 17 ARG 1.30 -0.40 1 18 ASN 1.42 0.70 1 20 ASP 4.41 -0.70 1 21 PHE -1.47 -2.50 1 23 ARG 5.00 2.20 1 24 THR -6.25 0.80 1 25 ARG 5.07 3.20 1 26 PHE 4.79 1.60 1 27 GLU 3.56 1.80 1 29 GLN 3.39 1.10 1 30 ILE 8.00 2.10 1 31 ASP 3.62 3.30 1 32 SER 4.49 0.60 1 33 VAL 7.40 0.70 1 34 GLU 4.60 0.80 1 35 PHE 4.40 2.30 1 36 ILE 4.91 0.40 1 37 PHE 4.90 0.50 1 38 GLN 4.40 2.10 1 39 ALA 3.60 3.80 1 40 LYS 3.60 3.60 1 41 ARG 4.46 1.60 1 42 ASN 1.83 1.80 1 43 SER 2.72 1.00 1 44 ASN -1.43 -0.30 1 46 GLU -0.91 -0.40 1 47 ASN 2.89 0.70 1 48 THR -5.10 0.10 1 49 VAL -4.81 -1.40 1 51 LEU -5.79 -3.50 1 52 ILE -7.00 -1.80 1 53 SER -1.91 0.00 1 55 ALA -3.70 -0.90 1 57 ALA 2.39 0.30 1 58 ASN -2.40 -2.40 1 60 ARG -4.55 -1.60 1 61 VAL 3.28 -0.60 1 62 LEU -0.16 0.60 1 63 SER -1.86 0.30 1 64 THR 1.08 -1.80 1 65 PHE 4.11 0.90 1 66 THR -1.70 -3.20 1 67 ALA -1.70 -1.20 1 68 GLU -2.61 -0.70 1 69 PHE 4.60 1.30 1 71 LYS 3.16 2.90 1 72 ILE 4.75 1.10 1 73 LEU 3.60 1.10 1 74 ALA 3.80 2.70 1 76 LEU 3.28 1.90 1 77 HIS 2.35 1.50 1 78 ASP -1.02 -0.70 1 79 THR 1.69 -1.90 1 80 GLN -3.70 -1.40 1 81 ILE 1.40 0.00 1 82 GLU -2.18 -0.90 1 84 LYS -4.88 -2.50 1 85 LEU 0.30 -1.00 1 86 HIS 0.06 0.10 1 87 MET 5.46 0.60 1 88 ALA 5.10 2.10 1 89 THR 6.06 1.80 1 90 ALA 4.22 1.70 1 91 LEU 3.86 1.50 1 92 GLN 4.85 3.70 1 93 ILE 4.86 3.60 1 94 ALA 4.83 0.80 1 96 LEU 3.69 1.00 1 97 THR 6.44 3.10 1 98 LEU 4.27 2.10 1 99 LYS 3.80 0.50 1 100 HIS -0.40 0.90 1 101 ARG 2.76 -1.60 1 102 GLN 3.22 0.30 1 103 ASN -0.50 0.90 1 104 LYS 2.61 0.60 1 105 VAL 2.68 1.20 1 106 GLN 0.67 1.40 1 107 HIS 1.21 -0.70 1 108 GLN -5.02 -1.10 1 109 ARG -4.07 -2.60 1 110 ILE -4.12 -1.80 1 111 VAL -1.52 -2.70 1 112 ALA -4.70 -3.10 1 113 PHE -3.89 -1.60 1 114 VAL -2.50 -1.20 1 116 SER 0.02 -2.90 1 118 ILE 0.75 0.80 1 119 SER -0.40 0.00 1 120 ASP -2.30 -2.10 1 121 SER -1.85 0.20 1 122 ARG 5.20 1.50 1 123 ASP 3.90 2.70 1 124 GLU 2.80 3.00 1 125 LEU 3.90 1.30 1 126 ILE 5.52 2.00 1 127 ARG 5.20 3.50 1 128 LEU 3.06 0.80 1 129 ALA 3.10 1.50 1 130 LYS 4.66 3.50 1 131 THR 6.00 1.70 1 132 LEU 5.54 1.00 1 133 LYS 4.10 4.70 1 134 LYS 3.70 0.30 1 135 ASN -0.32 -1.90 1 136 ASN 3.90 -1.70 1 137 VAL 0.60 -0.80 1 138 ALA -3.30 -1.90 1 139 VAL -4.70 -2.70 1 140 ASP -5.80 -0.90 1 141 ILE -4.70 -2.60 1 142 ILE 1.40 -3.70 1 143 ASN -4.78 -3.30 1 144 PHE -4.31 -2.90 1 146 GLU -0.30 0.20 1 147 ILE 4.45 3.30 1 148 GLU 4.72 1.90 1 149 GLN 1.60 2.00 1 150 ASN -1.50 1.50 1 152 GLU 4.65 2.70 1 153 LEU 2.79 1.20 1 154 LEU 2.84 0.80 1 155 ASP 2.88 2.90 1 156 GLU 3.60 2.60 1 157 PHE 4.60 0.60 1 158 ILE 2.42 1.20 1 159 ALA 3.30 1.90 1 160 ALA 1.25 0.20 1 161 VAL -0.29 -0.90 1 165 GLN 1.22 -0.10 1 166 GLU -1.66 -2.20 1 167 GLU -1.30 -0.50 1 170 HIS -2.08 -2.00 1 171 LEU -3.46 -2.50 1 172 LEU -3.90 -4.10 1 173 THR 0.90 -0.20 1 174 VAL -2.62 -1.60 1 175 THR 0.19 -0.90 1 179 ARG -0.70 -0.10 1 180 LEU -0.92 1.80 1 181 LEU 5.82 3.10 1 182 TYR 5.31 0.30 1 183 GLU 1.81 2.80 1 184 ASN 2.30 2.30 1 185 ILE 4.23 2.60 1 186 ALA 2.60 -0.80 1 187 SER -1.10 -1.60 1 188 SER -2.20 0.50 1 190 ILE 4.26 -0.90 1 191 ILE -2.04 -0.70 1 192 LEU 0.10 -0.80 1 193 GLU -0.70 0.10 1 194 GLU 0.03 0.50 1 196 SER -0.07 0.40 1 197 SER 0.40 0.60 1 199 MET 0.47 0.70 1 201 ALA 0.10 -0.20 1 202 PHE 0.20 0.70 1 205 SER 0.00 0.60 1 stop_ save_