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 bmr18667_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 -3.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 8.61 _LACS_plot.Line_2_terminator_val_y_2 6.40 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 TYR -3.44 2.06 0 132 GLU 5.37 0.15 0 88 HIS -7.10 -0.39 0 12 ALA 0.37 0.30 1 13 ASN 0.20 0.28 1 14 GLU 1.23 1.33 1 16 LEU 1.79 1.49 1 17 ASP 1.98 1.62 1 18 LYS 2.12 1.61 1 19 ALA 2.25 1.48 1 20 LEU 1.43 0.63 1 21 SER 1.37 1.08 1 22 ALA -0.62 -0.32 1 23 LEU 0.23 -0.07 1 26 GLU -2.04 -2.11 1 30 VAL 0.82 0.65 1 32 LEU -1.32 -1.22 1 33 HIS 5.06 5.06 1 34 SER -4.29 -1.72 1 36 TRP -4.48 -0.58 1 37 THR -1.15 0.50 1 38 PHE -3.76 0.04 1 39 TRP -6.08 -1.27 1 40 LEU -5.57 -1.00 1 41 ASP -3.52 -1.01 1 42 ARG -1.71 -0.31 1 43 SER 0.12 -0.50 1 44 LEU -1.45 -0.85 1 47 ALA -1.49 0.09 1 48 THR -3.53 -1.80 1 49 ALA 5.31 3.71 1 50 ALA 3.28 2.38 1 51 GLU 2.70 2.20 1 53 ALA 4.18 2.55 1 54 SER 3.30 2.65 1 55 ASN -0.99 0.11 1 56 LEU -0.95 0.45 1 57 LYS -2.82 -1.30 1 58 LYS 2.08 1.18 1 59 ILE 2.90 1.90 1 61 THR 1.41 1.15 1 62 VAL -3.66 -2.41 1 63 GLN -1.04 0.68 1 64 THR -6.41 -3.00 1 65 VAL 4.65 4.65 1 66 GLN 6.16 4.86 1 67 ILE 3.60 2.30 1 68 PHE 7.62 5.42 1 69 TRP 3.06 2.84 1 70 SER 4.77 3.96 1 71 VAL 6.08 4.37 1 72 TYR 4.04 4.11 1 73 ASN 1.76 1.55 1 74 ASN -0.77 1.36 1 75 ILE 2.91 1.33 1 78 VAL 4.30 3.00 1 79 THR 2.54 1.24 1 80 SER -1.24 0.00 1 81 LEU 0.09 0.29 1 83 LEU 1.85 1.80 1 84 ARG 6.80 2.60 1 86 SER -3.82 -1.62 1 87 TYR -8.55 -3.65 1 89 LEU -1.10 -0.30 1 90 MET -6.10 -4.30 1 91 ARG 2.21 2.01 1 93 GLU -1.91 -1.70 1 94 ARG 0.66 0.48 1 95 ARG -2.10 -1.20 1 97 LEU -6.40 -3.10 1 98 TRP 0.83 0.31 1 99 GLU 4.60 2.90 1 100 GLU -0.64 0.04 1 101 GLU 4.63 4.17 1 102 SER 2.78 1.98 1 103 ASN 0.37 0.60 1 104 ALA 3.29 4.18 1 105 LYS 0.53 -1.17 1 108 VAL -7.08 -5.55 1 109 TRP 3.16 3.06 1 110 LYS -3.31 -1.18 1 111 MET -5.74 -1.19 1 112 LYS -2.31 -0.80 1 113 VAL -4.67 -2.20 1 115 LYS 3.64 2.01 1 116 ASP 2.28 1.11 1 117 SER -0.40 1.00 1 118 THR 8.61 6.40 1 119 SER 6.00 4.35 1 120 THR 5.45 4.70 1 121 VAL 5.00 4.40 1 122 TRP 0.40 2.30 1 123 LYS 5.13 4.70 1 124 GLU 2.61 2.15 1 125 LEU 3.58 2.75 1 126 LEU 3.60 3.30 1 127 LEU 3.15 2.15 1 128 ALA 2.04 1.79 1 129 THR 8.00 5.45 1 130 ILE 5.30 3.00 1 133 GLN 3.74 1.84 1 134 PHE 0.80 0.20 1 135 THR 5.48 4.58 1 136 ASP 1.12 0.14 1 138 ALA -3.91 -2.31 1 139 ALA -2.29 -0.44 1 140 ALA 3.82 2.72 1 141 ASP 1.53 0.45 1 142 ASP -6.42 -2.52 1 143 GLU -3.31 0.06 1 144 ILE 1.10 -2.20 1 145 ILE -1.61 0.13 1 147 VAL -5.85 -2.17 1 148 SER -1.96 -0.09 1 149 VAL -4.33 -3.15 1 150 SER -3.50 -2.30 1 151 VAL 1.06 -0.19 1 152 ARG -3.36 -3.09 1 153 ASP 2.68 2.98 1 155 GLU -2.33 -0.68 1 156 ASP -1.01 0.07 1 157 VAL -4.08 -1.20 1 158 VAL -4.76 -2.68 1 159 GLN -6.75 -2.55 1 160 VAL -2.56 -0.30 1 161 TRP -2.09 -0.71 1 162 ASN -3.41 -2.10 1 163 VAL -1.50 0.60 1 164 ASN -2.01 -1.90 1 165 ALA 2.50 2.15 1 166 SER 3.35 2.50 1 167 LEU -0.29 -0.99 1 168 VAL 4.17 3.07 1 170 GLU -2.25 -0.95 1 171 ALA -1.59 -0.06 1 172 THR 0.70 -1.30 1 173 VAL 4.11 4.01 1 174 LEU 4.78 2.60 1 175 GLU 5.12 3.72 1 176 LYS 3.98 1.51 1 177 ILE 7.14 5.84 1 178 HIS 4.73 4.33 1 179 GLN 3.40 2.50 1 180 LEU 0.50 1.70 1 181 LEU -1.43 -0.73 1 183 HIS -0.24 0.62 1 184 ILE -0.74 -3.09 1 185 ALA -0.44 -2.04 1 186 PHE 0.88 1.20 1 187 LYS -2.00 -0.70 1 188 ALA -0.10 0.13 1 189 VAL -1.00 -0.60 1 190 PHE -2.46 -1.16 1 191 TYR -1.95 -0.94 1 192 LYS -5.78 -3.08 1 194 HIS 1.80 2.78 1 195 GLU 0.60 0.30 1 196 GLU -1.30 -0.90 1 197 HIS 1.06 3.06 1 198 HIS 3.70 4.00 1 199 ALA -1.35 -0.70 1 200 PHE 1.59 1.93 1 201 GLU -0.16 -0.40 1 204 ARG 0.25 0.30 1 206 LYS 0.06 0.04 1 207 HIS 0.20 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18667_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 4.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 8.61 _LACS_plot.Line_2_terminator_val_y_2 -2.21 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 TYR -3.44 5.50 0 132 GLU 5.37 -5.22 0 88 HIS -7.10 6.71 0 12 ALA 0.37 -0.07 1 13 ASN 0.20 0.08 1 14 GLU 1.23 0.10 1 16 LEU 1.79 -0.30 1 17 ASP 1.98 -0.36 1 18 LYS 2.12 -0.51 1 19 ALA 2.25 -0.77 1 20 LEU 1.43 -0.80 1 21 SER 1.37 -0.29 1 22 ALA -0.62 0.30 1 23 LEU 0.23 -0.30 1 26 GLU -2.04 -0.07 1 30 VAL 0.82 -0.17 1 32 LEU -1.32 0.10 1 33 HIS 5.06 0.00 1 34 SER -4.29 2.57 1 36 TRP -4.48 3.90 1 37 THR -1.15 1.65 1 38 PHE -3.76 3.80 1 39 TRP -6.08 4.81 1 40 LEU -5.57 4.57 1 41 ASP -3.52 2.51 1 42 ARG -1.71 1.40 1 43 SER 0.12 -0.62 1 44 LEU -1.45 0.60 1 47 ALA -1.49 1.58 1 48 THR -3.53 1.73 1 49 ALA 5.31 -1.60 1 50 ALA 3.28 -0.90 1 51 GLU 2.70 -0.50 1 53 ALA 4.18 -1.63 1 54 SER 3.30 -0.65 1 55 ASN -0.99 1.10 1 56 LEU -0.95 1.40 1 57 LYS -2.82 1.52 1 58 LYS 2.08 -0.90 1 59 ILE 2.90 -1.00 1 61 THR 1.41 -0.26 1 62 VAL -3.66 1.25 1 63 GLN -1.04 1.72 1 64 THR -6.41 3.41 1 65 VAL 4.65 0.00 1 66 GLN 6.16 -1.30 1 67 ILE 3.60 -1.30 1 68 PHE 7.62 -2.20 1 69 TRP 3.06 -0.22 1 70 SER 4.77 -0.81 1 71 VAL 6.08 -1.71 1 72 TYR 4.04 0.07 1 73 ASN 1.76 -0.21 1 74 ASN -0.77 2.13 1 75 ILE 2.91 -1.58 1 78 VAL 4.30 -1.30 1 79 THR 2.54 -1.30 1 80 SER -1.24 1.24 1 81 LEU 0.09 0.20 1 83 LEU 1.85 -0.05 1 84 ARG 6.80 -4.20 1 86 SER -3.82 2.20 1 87 TYR -8.55 4.90 1 89 LEU -1.10 0.80 1 90 MET -6.10 1.80 1 91 ARG 2.21 -0.20 1 93 GLU -1.91 0.21 1 94 ARG 0.66 -0.18 1 95 ARG -2.10 0.90 1 97 LEU -6.40 3.30 1 98 TRP 0.83 -0.52 1 99 GLU 4.60 -1.70 1 100 GLU -0.64 0.68 1 101 GLU 4.63 -0.46 1 102 SER 2.78 -0.80 1 103 ASN 0.37 0.23 1 104 ALA 3.29 0.89 1 105 LYS 0.53 -1.70 1 108 VAL -7.08 1.53 1 109 TRP 3.16 -0.10 1 110 LYS -3.31 2.13 1 111 MET -5.74 4.55 1 112 LYS -2.31 1.51 1 113 VAL -4.67 2.47 1 115 LYS 3.64 -1.63 1 116 ASP 2.28 -1.17 1 117 SER -0.40 1.40 1 118 THR 8.61 -2.21 1 119 SER 6.00 -1.65 1 120 THR 5.45 -0.75 1 121 VAL 5.00 -0.60 1 122 TRP 0.40 1.90 1 123 LYS 5.13 -0.43 1 124 GLU 2.61 -0.46 1 125 LEU 3.58 -0.83 1 126 LEU 3.60 -0.30 1 127 LEU 3.15 -1.00 1 128 ALA 2.04 -0.25 1 129 THR 8.00 -2.55 1 130 ILE 5.30 -2.30 1 133 GLN 3.74 -1.90 1 134 PHE 0.80 -0.60 1 135 THR 5.48 -0.90 1 136 ASP 1.12 -0.98 1 138 ALA -3.91 1.60 1 139 ALA -2.29 1.85 1 140 ALA 3.82 -1.10 1 141 ASP 1.53 -1.08 1 142 ASP -6.42 3.90 1 143 GLU -3.31 3.37 1 144 ILE 1.10 -3.30 1 145 ILE -1.61 1.74 1 147 VAL -5.85 3.68 1 148 SER -1.96 1.87 1 149 VAL -4.33 1.18 1 150 SER -3.50 1.20 1 151 VAL 1.06 -1.25 1 152 ARG -3.36 0.27 1 153 ASP 2.68 0.30 1 155 GLU -2.33 1.65 1 156 ASP -1.01 1.08 1 157 VAL -4.08 2.88 1 158 VAL -4.76 2.08 1 159 GLN -6.75 4.20 1 160 VAL -2.56 2.26 1 161 TRP -2.09 1.38 1 162 ASN -3.41 1.31 1 163 VAL -1.50 2.10 1 164 ASN -2.01 0.11 1 165 ALA 2.50 -0.35 1 166 SER 3.35 -0.85 1 167 LEU -0.29 -0.70 1 168 VAL 4.17 -1.10 1 170 GLU -2.25 1.30 1 171 ALA -1.59 1.53 1 172 THR 0.70 -2.00 1 173 VAL 4.11 -0.10 1 174 LEU 4.78 -2.18 1 175 GLU 5.12 -1.40 1 176 LYS 3.98 -2.47 1 177 ILE 7.14 -1.30 1 178 HIS 4.73 -0.40 1 179 GLN 3.40 -0.90 1 180 LEU 0.50 1.20 1 181 LEU -1.43 0.70 1 183 HIS -0.24 0.86 1 184 ILE -0.74 -2.35 1 185 ALA -0.44 -1.60 1 186 PHE 0.88 0.32 1 187 LYS -2.00 1.30 1 188 ALA -0.10 0.23 1 189 VAL -1.00 0.40 1 190 PHE -2.46 1.30 1 191 TYR -1.95 1.01 1 192 LYS -5.78 2.70 1 194 HIS 1.80 0.98 1 195 GLU 0.60 -0.30 1 196 GLU -1.30 0.40 1 197 HIS 1.06 2.00 1 198 HIS 3.70 0.30 1 199 ALA -1.35 0.65 1 200 PHE 1.59 0.34 1 201 GLU -0.16 -0.24 1 204 ARG 0.25 0.05 1 206 LYS 0.06 -0.02 1 207 HIS 0.20 1.80 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18667_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.55 _LACS_plot.Line_1_terminator_val_y_1 1.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 8.61 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 ARG -2.10 -1.10 0 91 ARG 2.21 -1.69 0 195 GLU 0.60 -1.62 0 12 ALA 0.37 -0.02 1 13 ASN 0.20 -0.03 1 14 GLU 1.23 -0.06 1 16 LEU 1.79 -0.15 1 17 ASP 1.98 -0.22 1 18 LYS 2.12 -0.16 1 19 ALA 2.25 -0.14 1 20 LEU 1.43 -0.15 1 21 SER 1.37 -0.10 1 22 ALA -0.62 0.08 1 23 LEU 0.23 -0.17 1 26 GLU -2.04 0.27 1 30 VAL 0.82 -0.03 1 32 LEU -1.32 0.24 1 33 HIS 5.06 -0.50 1 34 SER -4.29 0.03 1 36 TRP -4.48 0.51 1 37 THR -1.15 0.97 1 38 PHE -3.76 1.26 1 39 TRP -6.08 0.84 1 40 LEU -5.57 1.58 1 41 ASP -3.52 0.44 1 42 ARG -1.71 0.58 1 43 SER 0.12 0.04 1 44 LEU -1.45 0.05 1 47 ALA -1.49 0.12 1 48 THR -3.53 0.29 1 49 ALA 5.31 -1.00 1 50 ALA 3.28 -0.38 1 51 GLU 2.70 -0.47 1 53 ALA 4.18 -0.52 1 54 SER 3.30 -0.16 1 55 ASN -0.99 0.12 1 56 LEU -0.95 0.32 1 57 LYS -2.82 0.56 1 58 LYS 2.08 -0.81 1 59 ILE 2.90 -0.06 1 60 TYR -3.44 -0.31 1 61 THR 1.41 0.87 1 62 VAL -3.66 0.69 1 63 GLN -1.04 0.45 1 64 THR -6.41 0.91 1 65 VAL 4.65 -0.58 1 66 GLN 6.16 -0.03 1 67 ILE 3.60 -0.14 1 68 PHE 7.62 -0.57 1 69 TRP 3.06 -0.42 1 70 SER 4.77 -0.25 1 71 VAL 6.08 -0.81 1 72 TYR 4.04 -1.27 1 73 ASN 1.76 -0.28 1 74 ASN -0.77 0.05 1 75 ILE 2.91 0.12 1 78 VAL 4.30 -0.39 1 79 THR 2.54 -0.23 1 80 SER -1.24 0.19 1 81 LEU 0.09 -0.32 1 83 LEU 1.85 -0.65 1 84 ARG 6.80 -0.68 1 86 SER -3.82 1.11 1 87 TYR -8.55 1.53 1 88 HIS -7.10 1.10 1 89 LEU -1.10 0.98 1 90 MET -6.10 1.28 1 93 GLU -1.91 0.16 1 94 ARG 0.66 -0.20 1 97 LEU -6.40 0.54 1 98 TRP 0.83 -0.77 1 99 GLU 4.60 -0.48 1 100 GLU -0.64 -0.19 1 101 GLU 4.63 -0.36 1 102 SER 2.78 -0.13 1 103 ASN 0.37 0.37 1 104 ALA 3.29 0.57 1 105 LYS 0.53 0.30 1 108 VAL -7.08 1.13 1 109 TRP 3.16 0.21 1 110 LYS -3.31 0.70 1 111 MET -5.74 0.47 1 112 LYS -2.31 1.07 1 113 VAL -4.67 0.44 1 115 LYS 3.64 -0.08 1 116 ASP 2.28 -0.11 1 117 SER -0.40 0.38 1 118 THR 8.61 -0.92 1 119 SER 6.00 -0.22 1 120 THR 5.45 -0.16 1 121 VAL 5.00 -0.44 1 122 TRP 0.40 0.16 1 123 LYS 5.13 -0.73 1 124 GLU 2.61 -0.27 1 125 LEU 3.58 -0.18 1 126 LEU 3.60 -0.99 1 127 LEU 3.15 -0.96 1 128 ALA 2.04 -0.58 1 129 THR 8.00 -0.74 1 130 ILE 5.30 -0.58 1 132 GLU 5.37 0.13 1 133 GLN 3.74 -0.30 1 134 PHE 0.80 0.29 1 135 THR 5.48 -0.34 1 136 ASP 1.12 0.24 1 138 ALA -3.91 0.37 1 139 ALA -2.29 -0.07 1 140 ALA 3.82 -0.15 1 141 ASP 1.53 0.13 1 142 ASP -6.42 0.40 1 143 GLU -3.31 0.01 1 144 ILE 1.10 0.98 1 145 ILE -1.61 0.50 1 147 VAL -5.85 1.85 1 148 SER -1.96 1.56 1 149 VAL -4.33 1.02 1 150 SER -3.50 0.60 1 151 VAL 1.06 0.39 1 152 ARG -3.36 0.62 1 153 ASP 2.68 -0.27 1 155 GLU -2.33 0.12 1 156 ASP -1.01 0.55 1 157 VAL -4.08 1.01 1 158 VAL -4.76 1.24 1 159 GLN -6.75 1.78 1 160 VAL -2.56 1.05 1 161 TRP -2.09 0.92 1 162 ASN -3.41 1.59 1 163 VAL -1.50 0.44 1 164 ASN -2.01 0.10 1 165 ALA 2.50 -0.04 1 166 SER 3.35 -0.17 1 167 LEU -0.29 0.38 1 168 VAL 4.17 -0.46 1 170 GLU -2.25 0.08 1 171 ALA -1.59 0.41 1 172 THR 0.70 0.55 1 173 VAL 4.11 -0.83 1 174 LEU 4.78 -0.79 1 175 GLU 5.12 -0.37 1 176 LYS 3.98 -0.15 1 177 ILE 7.14 -0.70 1 178 HIS 4.73 -0.48 1 179 GLN 3.40 -0.40 1 180 LEU 0.50 -0.22 1 181 LEU -1.43 0.16 1 183 HIS -0.24 0.03 1 184 ILE -0.74 -0.21 1 185 ALA -0.44 0.24 1 186 PHE 0.88 0.03 1 187 LYS -2.00 0.28 1 188 ALA -0.10 -0.06 1 189 VAL -1.00 0.85 1 190 PHE -2.46 0.34 1 191 TYR -1.95 0.39 1 192 LYS -5.78 -0.03 1 194 HIS 1.80 -0.86 1 196 GLU -1.30 -0.22 1 197 HIS 1.06 -0.59 1 198 HIS 3.70 -0.29 1 199 ALA -1.35 0.32 1 200 PHE 1.59 0.00 1 201 GLU -0.16 0.10 1 204 ARG 0.25 0.04 1 206 LYS 0.06 -0.01 1 207 HIS 0.20 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18667_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -1.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 8.61 _LACS_plot.Line_2_terminator_val_y_2 3.47 _LACS_plot.Y_axis_chem_shift_offset -0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 207 HIS 0.20 6.28 0 12 ALA 0.37 0.58 1 13 ASN 0.20 0.52 1 14 GLU 1.23 0.79 1 16 LEU 1.79 0.73 1 17 ASP 1.98 2.37 1 18 LYS 2.12 2.19 1 19 ALA 2.25 2.35 1 20 LEU 1.43 1.80 1 21 SER 1.37 0.56 1 22 ALA -0.62 0.45 1 23 LEU 0.23 0.09 1 32 LEU -1.32 0.99 1 33 HIS 5.06 2.32 1 34 SER -4.29 -2.57 1 36 TRP -4.48 0.08 1 37 THR -1.15 0.48 1 38 PHE -3.76 0.84 1 39 TRP -6.08 -0.77 1 40 LEU -5.57 -1.40 1 41 ASP -3.52 -0.56 1 42 ARG -1.71 -0.68 1 43 SER 0.12 -0.01 1 44 LEU -1.45 -1.10 1 47 ALA -1.49 1.80 1 48 THR -3.53 1.92 1 49 ALA 5.31 3.61 1 50 ALA 3.28 4.33 1 51 GLU 2.70 4.15 1 53 ALA 4.18 2.99 1 54 SER 3.30 1.18 1 55 ASN -0.99 -0.04 1 56 LEU -0.95 0.11 1 57 LYS -2.82 -0.77 1 58 LYS 2.08 0.51 1 59 ILE 2.90 0.18 1 60 TYR -3.44 -0.93 1 61 THR 1.41 -0.25 1 62 VAL -3.66 0.72 1 63 GLN -1.04 1.22 1 64 THR -6.41 0.48 1 65 VAL 4.65 1.67 1 66 GLN 6.16 4.45 1 67 ILE 3.60 2.13 1 68 PHE 7.62 1.16 1 69 TRP 3.06 3.11 1 70 SER 4.77 2.83 1 71 VAL 6.08 1.84 1 72 TYR 4.04 2.06 1 73 ASN 1.76 2.14 1 74 ASN -0.77 0.17 1 75 ILE 2.91 -0.31 1 78 VAL 4.30 0.50 1 79 THR 2.54 1.72 1 80 SER -1.24 0.55 1 81 LEU 0.09 -0.07 1 83 LEU 1.85 1.13 1 84 ARG 6.80 0.60 1 86 SER -3.82 -0.05 1 88 HIS -7.10 1.67 1 89 LEU -1.10 -1.20 1 93 GLU -1.91 0.41 1 94 ARG 0.66 -0.70 1 95 ARG -2.10 2.31 1 97 LEU -6.40 -3.09 1 98 TRP 0.83 0.91 1 99 GLU 4.60 -1.00 1 100 GLU -0.64 0.21 1 101 GLU 4.63 2.70 1 102 SER 2.78 2.18 1 103 ASN 0.37 5.25 1 104 ALA 3.29 1.81 1 105 LYS 0.53 1.36 1 108 VAL -7.08 0.43 1 109 TRP 3.16 0.06 1 110 LYS -3.31 -0.89 1 111 MET -5.74 -0.99 1 112 LYS -2.31 0.90 1 115 LYS 3.64 3.00 1 116 ASP 2.28 2.15 1 117 SER -0.40 0.66 1 118 THR 8.61 1.72 1 119 SER 6.00 3.68 1 120 THR 5.45 1.72 1 121 VAL 5.00 1.37 1 122 TRP 0.40 0.78 1 123 LYS 5.13 2.32 1 124 GLU 2.61 5.04 1 125 LEU 3.58 3.82 1 126 LEU 3.60 1.63 1 127 LEU 3.15 3.85 1 128 ALA 2.04 1.41 1 130 ILE 5.30 2.92 1 132 GLU 5.37 2.54 1 133 GLN 3.74 2.07 1 134 PHE 0.80 2.79 1 135 THR 5.48 1.47 1 136 ASP 1.12 0.97 1 138 ALA -3.91 -0.68 1 139 ALA -2.29 1.09 1 140 ALA 3.82 2.12 1 141 ASP 1.53 -0.68 1 142 ASP -6.42 -1.30 1 143 GLU -3.31 -1.39 1 144 ILE 1.10 2.86 1 145 ILE -1.61 -1.11 1 147 VAL -5.85 -1.00 1 148 SER -1.96 -0.94 1 149 VAL -4.33 -3.73 1 150 SER -3.50 0.59 1 151 VAL 1.06 2.41 1 152 ARG -3.36 0.36 1 153 ASP 2.68 2.22 1 156 ASP -1.01 -0.49 1 157 VAL -4.08 0.28 1 158 VAL -4.76 -0.39 1 159 GLN -6.75 0.36 1 160 VAL -2.56 -0.51 1 161 TRP -2.09 1.90 1 162 ASN -3.41 0.92 1 163 VAL -1.50 0.98 1 164 ASN -2.01 0.13 1 165 ALA 2.50 3.05 1 166 SER 3.35 1.92 1 167 LEU -0.29 2.33 1 168 VAL 4.17 1.99 1 170 GLU -2.25 0.47 1 171 ALA -1.59 1.65 1 172 THR 0.70 1.59 1 173 VAL 4.11 1.32 1 174 LEU 4.78 2.68 1 175 GLU 5.12 3.56 1 176 LYS 3.98 2.82 1 177 ILE 7.14 1.79 1 178 HIS 4.73 3.24 1 179 GLN 3.40 3.62 1 180 LEU 0.50 1.38 1 181 LEU -1.43 0.10 1 183 HIS -0.24 1.90 1 184 ILE -0.74 -0.91 1 185 ALA -0.44 -0.98 1 186 PHE 0.88 2.16 1 187 LYS -2.00 -0.23 1 188 ALA -0.10 -1.27 1 189 VAL -1.00 1.10 1 190 PHE -2.46 -2.79 1 191 TYR -1.95 -0.41 1 192 LYS -5.78 -1.27 1 204 ARG 0.25 1.72 1 206 LYS 0.06 0.07 1 stop_ save_