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 bmr5668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.86 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.77 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 5.59 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 LYS -5.20 -1.67 0 28 SER 3.62 5.75 0 60 PHE 3.05 -1.11 0 72 GLN -5.86 -2.06 0 112 PHE 3.55 5.77 0 88 HIS -3.47 0.60 0 12 LEU 2.44 2.13 1 13 TYR -1.13 -2.08 1 14 ILE 6.11 5.23 1 15 ALA 4.05 2.59 1 16 TYR 2.69 3.50 1 17 HIS 5.70 5.22 1 18 ASP 3.00 1.67 1 19 ASN -1.55 0.42 1 20 GLU -2.30 1.13 1 21 TRP 4.71 3.97 1 23 VAL 1.16 0.15 1 25 GLU -4.08 -2.34 1 26 THR -0.38 -1.25 1 27 ASP -1.93 -0.09 1 29 LYS 5.85 4.27 1 30 LYS 4.53 2.77 1 31 LEU 3.01 3.08 1 32 PHE 4.59 3.12 1 33 GLU -0.15 2.51 1 34 MET 3.58 0.75 1 35 ILE 3.67 0.92 1 37 LEU 4.87 3.04 1 38 GLU 5.09 1.57 1 40 GLN 2.26 0.48 1 41 GLN -0.09 -0.48 1 42 ALA 2.49 1.53 1 44 LEU -2.20 -1.94 1 45 SER -2.35 -1.50 1 46 TRP 1.77 1.57 1 47 ILE 1.84 -0.19 1 48 THR 5.19 3.82 1 49 VAL 5.06 3.25 1 50 LEU 4.42 2.31 1 51 LYS 3.48 2.74 1 52 LYS -1.41 -0.20 1 53 ARG 5.52 5.89 1 54 GLU 4.49 2.46 1 55 ASN 4.54 2.28 1 56 TYR 6.80 6.38 1 57 ARG 5.91 4.72 1 58 ALA 2.73 1.80 1 61 HIS 2.65 1.84 1 62 GLN 5.38 1.55 1 63 PHE 7.57 3.64 1 64 ASP -1.22 -0.61 1 66 VAL 5.18 3.73 1 67 LYS 2.22 1.78 1 68 VAL 4.80 3.82 1 69 ALA 1.24 1.69 1 70 ALA -0.66 -1.03 1 71 MET 2.10 2.59 1 73 GLU 4.65 3.33 1 74 GLU 4.08 2.82 1 75 ASP 3.38 3.15 1 76 VAL 6.74 4.86 1 77 GLU 2.39 1.41 1 78 ARG 3.10 2.53 1 79 LEU 3.55 2.47 1 80 VAL 3.10 1.49 1 81 GLN -1.00 -1.14 1 82 ASP -1.16 0.09 1 83 ALA 0.92 0.43 1 85 ILE -3.76 -2.40 1 86 ILE 2.70 -0.25 1 87 ARG 3.32 0.17 1 89 ARG 5.32 4.83 1 91 LYS 6.75 4.27 1 92 ILE 5.09 4.55 1 93 GLN 4.01 2.92 1 94 ALA 1.88 1.96 1 95 ILE 7.71 5.84 1 96 ILE 3.70 3.98 1 98 ASN 3.75 1.27 1 99 ALA 3.60 2.81 1 100 ARG 5.77 3.68 1 101 ALA 3.35 2.10 1 102 TYR 3.65 3.07 1 103 LEU 3.42 2.18 1 104 GLN 4.16 2.90 1 105 MET 4.20 4.10 1 106 GLU 4.34 3.65 1 107 GLN 3.24 1.99 1 108 ASN -0.44 -0.75 1 110 GLU -3.30 -1.72 1 113 ALA 2.97 2.95 1 114 ASP 2.92 3.01 1 115 PHE 4.49 4.05 1 116 VAL 5.67 3.52 1 117 TRP 4.67 3.39 1 118 SER 5.26 3.32 1 119 PHE 5.86 3.69 1 120 VAL -0.33 -2.48 1 121 ASN 3.44 1.37 1 122 HIS 5.74 3.85 1 123 GLN -3.78 -1.17 1 125 GLN -1.29 -1.70 1 126 MET -0.34 -0.91 1 127 THR 3.15 1.42 1 128 GLN 0.33 -0.78 1 129 ALA -1.28 0.28 1 130 THR 0.45 0.37 1 131 THR -4.11 -2.60 1 132 LEU 3.52 2.14 1 133 SER 3.39 1.91 1 134 GLU -1.95 -0.69 1 135 ILE 0.25 -0.90 1 137 THR -0.08 -0.42 1 138 SER -0.99 -0.71 1 139 THR -2.10 -1.13 1 141 ALA 2.99 2.22 1 143 ASP 3.89 2.67 1 144 ALA 3.70 2.16 1 145 LEU 4.03 2.12 1 146 SER 3.40 2.72 1 147 LYS 3.87 3.45 1 148 ALA 2.05 2.35 1 149 LEU 4.31 2.14 1 150 LYS 4.94 3.80 1 151 LYS 3.45 2.48 1 152 ARG 0.65 -0.08 1 154 PHE -1.15 0.27 1 156 PHE 6.54 2.80 1 157 VAL -1.80 -3.19 1 159 THR 4.24 3.55 1 160 THR 5.12 2.86 1 161 ILE 4.14 2.35 1 163 TYR 6.56 4.99 1 164 SER 3.75 3.63 1 165 PHE 3.68 2.33 1 166 MET 4.32 3.80 1 167 GLN 0.63 0.80 1 168 ALA 3.13 2.67 1 171 LEU 6.63 4.65 1 172 VAL -4.35 -3.72 1 173 ASN -1.77 -2.05 1 174 ASP -1.41 -1.40 1 175 HIS 1.56 2.91 1 176 VAL -1.91 -1.54 1 177 VAL 3.58 1.95 1 182 TYR 0.70 1.02 1 185 ASN -0.06 -0.32 1 186 LYS -0.09 -0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.86 _LACS_plot.Line_1_terminator_val_y_1 3.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 -2.11 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 LYS -5.20 3.53 0 28 SER 3.62 2.13 0 60 PHE 3.05 -4.16 0 72 GLN -5.86 3.80 0 112 PHE 3.55 2.22 0 88 HIS -3.47 4.07 0 12 LEU 2.44 -0.31 1 13 TYR -1.13 -0.95 1 14 ILE 6.11 -0.88 1 15 ALA 4.05 -1.46 1 16 TYR 2.69 0.81 1 17 HIS 5.70 -0.48 1 18 ASP 3.00 -1.33 1 19 ASN -1.55 1.97 1 20 GLU -2.30 3.43 1 21 TRP 4.71 -0.74 1 23 VAL 1.16 -1.01 1 25 GLU -4.08 1.74 1 26 THR -0.38 -0.87 1 27 ASP -1.93 1.84 1 29 LYS 5.85 -1.58 1 30 LYS 4.53 -1.76 1 31 LEU 3.01 0.07 1 32 PHE 4.59 -1.47 1 33 GLU -0.15 2.66 1 34 MET 3.58 -2.83 1 35 ILE 3.67 -2.75 1 37 LEU 4.87 -1.83 1 38 GLU 5.09 -3.52 1 40 GLN 2.26 -1.78 1 41 GLN -0.09 -0.39 1 42 ALA 2.49 -0.96 1 44 LEU -2.20 0.26 1 45 SER -2.35 0.85 1 46 TRP 1.77 -0.20 1 47 ILE 1.84 -2.03 1 48 THR 5.19 -1.37 1 49 VAL 5.06 -1.81 1 50 LEU 4.42 -2.11 1 51 LYS 3.48 -0.74 1 52 LYS -1.41 1.21 1 53 ARG 5.52 0.37 1 54 GLU 4.49 -2.03 1 55 ASN 4.54 -2.26 1 56 TYR 6.80 -0.42 1 57 ARG 5.91 -1.19 1 58 ALA 2.73 -0.93 1 61 HIS 2.65 -0.81 1 62 GLN 5.38 -3.83 1 63 PHE 7.57 -3.93 1 64 ASP -1.22 0.61 1 66 VAL 5.18 -1.45 1 67 LYS 2.22 -0.44 1 68 VAL 4.80 -0.98 1 69 ALA 1.24 0.45 1 70 ALA -0.66 -0.37 1 71 MET 2.10 0.49 1 73 GLU 4.65 -1.32 1 74 GLU 4.08 -1.26 1 75 ASP 3.38 -0.23 1 76 VAL 6.74 -1.88 1 77 GLU 2.39 -0.98 1 78 ARG 3.10 -0.57 1 79 LEU 3.55 -1.08 1 80 VAL 3.10 -1.61 1 81 GLN -1.00 -0.14 1 82 ASP -1.16 1.25 1 83 ALA 0.92 -0.49 1 85 ILE -3.76 1.36 1 86 ILE 2.70 -2.95 1 87 ARG 3.32 -3.15 1 89 ARG 5.32 -0.49 1 91 LYS 6.75 -2.48 1 92 ILE 5.09 -0.54 1 93 GLN 4.01 -1.09 1 94 ALA 1.88 0.08 1 95 ILE 7.71 -1.87 1 96 ILE 3.70 0.28 1 98 ASN 3.75 -2.48 1 99 ALA 3.60 -0.79 1 100 ARG 5.77 -2.09 1 101 ALA 3.35 -1.25 1 102 TYR 3.65 -0.58 1 103 LEU 3.42 -1.24 1 104 GLN 4.16 -1.26 1 105 MET 4.20 -0.10 1 106 GLU 4.34 -0.69 1 107 GLN 3.24 -1.25 1 108 ASN -0.44 -0.31 1 110 GLU -3.30 1.58 1 113 ALA 2.97 -0.02 1 114 ASP 2.92 0.09 1 115 PHE 4.49 -0.44 1 116 VAL 5.67 -2.15 1 117 TRP 4.67 -1.28 1 118 SER 5.26 -1.94 1 119 PHE 5.86 -2.17 1 120 VAL -0.33 -2.15 1 121 ASN 3.44 -2.07 1 122 HIS 5.74 -1.89 1 123 GLN -3.78 2.61 1 125 GLN -1.29 -0.41 1 126 MET -0.34 -0.57 1 127 THR 3.15 -1.73 1 128 GLN 0.33 -1.11 1 129 ALA -1.28 1.56 1 130 THR 0.45 -0.08 1 131 THR -4.11 1.51 1 132 LEU 3.52 -1.38 1 133 SER 3.39 -1.48 1 134 GLU -1.95 1.26 1 135 ILE 0.25 -1.15 1 137 THR -0.08 -0.34 1 138 SER -0.99 0.28 1 139 THR -2.10 0.97 1 141 ALA 2.99 -0.77 1 143 ASP 3.89 -1.22 1 144 ALA 3.70 -1.54 1 145 LEU 4.03 -1.91 1 146 SER 3.40 -0.68 1 147 LYS 3.87 -0.42 1 148 ALA 2.05 0.30 1 149 LEU 4.31 -2.17 1 150 LYS 4.94 -1.14 1 151 LYS 3.45 -0.97 1 152 ARG 0.65 -0.73 1 154 PHE -1.15 1.42 1 156 PHE 6.54 -3.74 1 157 VAL -1.80 -1.39 1 159 THR 4.24 -0.69 1 160 THR 5.12 -2.26 1 161 ILE 4.14 -1.79 1 163 TYR 6.56 -1.57 1 164 SER 3.75 -0.12 1 165 PHE 3.68 -1.35 1 166 MET 4.32 -0.52 1 167 GLN 0.63 0.17 1 168 ALA 3.13 -0.46 1 171 LEU 6.63 -1.98 1 172 VAL -4.35 0.63 1 173 ASN -1.77 -0.28 1 174 ASP -1.41 0.01 1 175 HIS 1.56 1.35 1 176 VAL -1.91 0.37 1 177 VAL 3.58 -1.63 1 182 TYR 0.70 0.32 1 185 ASN -0.06 -0.26 1 186 LYS -0.09 -0.21 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.86 _LACS_plot.Line_1_terminator_val_y_1 0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 GLU -0.15 -1.61 0 177 VAL 3.58 -2.00 0 12 LEU 2.44 -0.08 1 13 TYR -1.13 0.34 1 14 ILE 6.11 -0.85 1 15 ALA 4.05 -0.18 1 16 TYR 2.69 0.03 1 17 HIS 5.70 -0.69 1 18 ASP 3.00 -0.24 1 19 ASN -1.55 0.21 1 20 GLU -2.30 0.19 1 21 TRP 4.71 -0.53 1 23 VAL 1.16 -0.24 1 25 GLU -4.08 0.36 1 26 THR -0.38 0.11 1 27 ASP -1.93 0.31 1 28 SER 3.62 -0.05 1 29 LYS 5.85 -0.11 1 30 LYS 4.53 -0.01 1 31 LEU 3.01 0.11 1 32 PHE 4.59 -0.49 1 34 MET 3.58 0.13 1 35 ILE 3.67 -0.32 1 37 LEU 4.87 -0.86 1 38 GLU 5.09 -0.04 1 40 GLN 2.26 -0.84 1 41 GLN -0.09 -0.40 1 42 ALA 2.49 -0.20 1 44 LEU -2.20 0.45 1 45 SER -2.35 0.41 1 46 TRP 1.77 -0.18 1 47 ILE 1.84 -0.77 1 48 THR 5.19 -0.65 1 49 VAL 5.06 -0.85 1 50 LEU 4.42 -1.15 1 51 LYS 3.48 -0.51 1 52 LYS -1.41 0.29 1 53 ARG 5.52 -0.40 1 54 GLU 4.49 -0.18 1 55 ASN 4.54 -0.27 1 56 TYR 6.80 -0.59 1 57 ARG 5.91 -0.60 1 58 ALA 2.73 -0.17 1 60 PHE 3.05 -0.30 1 61 HIS 2.65 -0.56 1 62 GLN 5.38 -0.78 1 63 PHE 7.57 -1.09 1 64 ASP -1.22 -0.15 1 66 VAL 5.18 -0.57 1 67 LYS 2.22 -0.40 1 68 VAL 4.80 -0.51 1 69 ALA 1.24 -0.30 1 70 ALA -0.66 -0.01 1 71 MET 2.10 -0.34 1 72 GLN -5.86 0.50 1 73 GLU 4.65 -0.28 1 74 GLU 4.08 -0.28 1 75 ASP 3.38 -0.16 1 76 VAL 6.74 -0.74 1 77 GLU 2.39 -0.40 1 78 ARG 3.10 -0.23 1 79 LEU 3.55 -0.36 1 80 VAL 3.10 -0.48 1 81 GLN -1.00 0.03 1 82 ASP -1.16 -0.22 1 83 ALA 0.92 -0.28 1 85 ILE -3.76 0.21 1 86 ILE 2.70 -0.08 1 87 ARG 3.32 -0.34 1 88 HIS -3.47 -0.07 1 89 ARG 5.32 -0.71 1 91 LYS 6.75 -0.95 1 92 ILE 5.09 -0.40 1 93 GLN 4.01 -0.39 1 94 ALA 1.88 -0.26 1 95 ILE 7.71 -0.69 1 96 ILE 3.70 -0.55 1 98 ASN 3.75 -0.95 1 99 ALA 3.60 -0.71 1 100 ARG 5.77 -0.46 1 101 ALA 3.35 -0.24 1 102 TYR 3.65 -0.48 1 103 LEU 3.42 -0.26 1 104 GLN 4.16 -0.32 1 105 MET 4.20 -0.38 1 106 GLU 4.34 -0.78 1 107 GLN 3.24 -0.22 1 108 ASN -0.44 0.13 1 110 GLU -3.30 0.25 1 112 PHE 3.55 -0.50 1 113 ALA 2.97 -0.09 1 114 ASP 2.92 -0.23 1 115 PHE 4.49 -0.50 1 116 VAL 5.67 -0.44 1 117 TRP 4.67 -0.83 1 118 SER 5.26 -1.05 1 119 PHE 5.86 -0.70 1 120 VAL -0.33 0.42 1 121 ASN 3.44 -0.45 1 122 HIS 5.74 -0.80 1 123 GLN -3.78 0.36 1 125 GLN -1.29 0.13 1 126 MET -0.34 0.39 1 127 THR 3.15 0.01 1 128 GLN 0.33 0.00 1 129 ALA -1.28 -0.06 1 130 THR 0.45 0.08 1 131 THR -4.11 0.42 1 132 LEU 3.52 -0.14 1 133 SER 3.39 -0.21 1 134 GLU -1.95 -0.06 1 135 ILE 0.25 -0.06 1 137 THR -0.08 -0.03 1 138 SER -0.99 -0.58 1 139 THR -2.10 0.14 1 141 ALA 2.99 0.18 1 143 ASP 3.89 -0.45 1 144 ALA 3.70 -0.20 1 145 LEU 4.03 -1.61 1 146 SER 3.40 -0.46 1 147 LYS 3.87 -0.45 1 148 ALA 2.05 -0.08 1 149 LEU 4.31 -0.27 1 150 LYS 4.94 -0.16 1 151 LYS 3.45 -0.18 1 152 ARG 0.65 -0.04 1 154 PHE -1.15 -0.12 1 155 LYS -5.20 0.28 1 156 PHE 6.54 -0.80 1 157 VAL -1.80 0.31 1 159 THR 4.24 -0.21 1 160 THR 5.12 0.20 1 161 ILE 4.14 -0.43 1 163 TYR 6.56 -0.35 1 164 SER 3.75 -0.10 1 165 PHE 3.68 -0.69 1 166 MET 4.32 -1.55 1 167 GLN 0.63 -0.86 1 168 ALA 3.13 -0.94 1 171 LEU 6.63 -1.02 1 172 VAL -4.35 0.11 1 173 ASN -1.77 -0.11 1 174 ASP -1.41 0.70 1 175 HIS 1.56 0.16 1 176 VAL -1.91 0.21 1 182 TYR 0.70 -0.59 1 185 ASN -0.06 0.06 1 186 LYS -0.09 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5668_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.86 _LACS_plot.Line_1_terminator_val_y_1 -1.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.40 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 2.60 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 PHE 7.57 -2.80 0 12 LEU 2.44 1.90 1 13 TYR -1.13 2.60 1 14 ILE 6.11 0.60 1 15 ALA 4.05 1.80 1 16 TYR 2.69 2.20 1 17 HIS 5.70 0.90 1 18 ASP 3.00 1.00 1 19 ASN -1.55 0.10 1 20 GLU -2.30 -1.20 1 21 TRP 4.71 1.30 1 23 VAL 1.16 -0.10 1 25 GLU -4.08 -1.60 1 26 THR -0.38 -1.40 1 27 ASP -1.93 0.90 1 28 SER 3.62 0.80 1 29 LYS 5.85 3.80 1 30 LYS 4.53 3.80 1 31 LEU 3.01 1.10 1 32 PHE 4.59 0.80 1 33 GLU -0.15 1.00 1 34 MET 3.58 2.80 1 35 ILE 3.67 1.90 1 37 LEU 4.87 1.70 1 38 GLU 5.09 3.10 1 40 GLN 2.26 1.50 1 41 GLN -0.09 -1.40 1 42 ALA 2.49 1.40 1 44 LEU -2.20 -2.20 1 45 SER -2.35 0.20 1 46 TRP 1.77 1.30 1 47 ILE 1.84 -1.80 1 48 THR 5.19 0.90 1 49 VAL 5.06 1.10 1 50 LEU 4.42 2.70 1 51 LYS 3.48 1.30 1 52 LYS -1.41 0.80 1 53 ARG 5.52 1.20 1 54 GLU 4.49 2.90 1 55 ASN 4.54 3.10 1 56 TYR 6.80 2.40 1 57 ARG 5.91 1.00 1 58 ALA 2.73 2.80 1 60 PHE 3.05 -0.70 1 61 HIS 2.65 2.00 1 62 GLN 5.38 -0.50 1 64 ASP -1.22 0.70 1 66 VAL 5.18 2.40 1 67 LYS 2.22 3.00 1 68 VAL 4.80 1.10 1 69 ALA 1.24 0.10 1 70 ALA -0.66 0.20 1 71 MET 2.10 -1.60 1 72 GLN -5.86 1.60 1 73 GLU 4.65 2.40 1 74 GLU 4.08 2.80 1 75 ASP 3.38 1.20 1 76 VAL 6.74 0.60 1 77 GLU 2.39 1.90 1 78 ARG 3.10 3.00 1 79 LEU 3.55 0.90 1 80 VAL 3.10 -1.10 1 81 GLN -1.00 -0.10 1 82 ASP -1.16 -1.40 1 83 ALA 0.92 0.60 1 85 ILE -3.76 -2.00 1 86 ILE 2.70 0.20 1 87 ARG 3.32 -1.70 1 88 HIS -3.47 0.80 1 89 ARG 5.32 0.70 1 91 LYS 6.75 2.40 1 92 ILE 5.09 1.90 1 93 GLN 4.01 3.20 1 94 ALA 1.88 1.10 1 95 ILE 7.71 0.60 1 96 ILE 3.70 2.60 1 98 ASN 3.75 1.80 1 99 ALA 3.60 1.10 1 100 ARG 5.77 2.80 1 101 ALA 3.35 2.40 1 102 TYR 3.65 1.90 1 103 LEU 3.42 2.30 1 104 GLN 4.16 2.70 1 105 MET 4.20 2.20 1 106 GLU 4.34 4.10 1 107 GLN 3.24 0.70 1 108 ASN -0.44 0.00 1 110 GLU -3.30 -3.40 1 112 PHE 3.55 1.60 1 113 ALA 2.97 1.40 1 114 ASP 2.92 1.30 1 115 PHE 4.49 3.20 1 116 VAL 5.67 1.30 1 117 TRP 4.67 3.30 1 118 SER 5.26 2.10 1 119 PHE 5.86 0.30 1 120 VAL -0.33 -1.60 1 121 ASN 3.44 -0.70 1 122 HIS 5.74 -0.80 1 123 GLN -3.78 -2.60 1 125 GLN -1.29 -0.20 1 126 MET -0.34 0.00 1 127 THR 3.15 -0.50 1 128 GLN 0.33 -0.50 1 129 ALA -1.28 -0.70 1 130 THR 0.45 0.50 1 131 THR -4.11 -0.40 1 132 LEU 3.52 2.00 1 133 SER 3.39 0.40 1 134 GLU -1.95 -0.60 1 135 ILE 0.25 -0.40 1 137 THR -0.08 -0.10 1 138 SER -0.99 -3.00 1 139 THR -2.10 -0.30 1 141 ALA 2.99 1.40 1 143 ASP 3.89 2.20 1 144 ALA 3.70 2.40 1 145 LEU 4.03 -0.70 1 146 SER 3.40 2.40 1 147 LYS 3.87 2.80 1 148 ALA 2.05 3.50 1 149 LEU 4.31 2.60 1 150 LYS 4.94 5.10 1 151 LYS 3.45 1.20 1 152 ARG 0.65 -0.70 1 154 PHE -1.15 -0.60 1 155 LYS -5.20 -1.70 1 156 PHE 6.54 -0.60 1 157 VAL -1.80 -0.30 1 159 THR 4.24 0.60 1 160 THR 5.12 3.10 1 161 ILE 4.14 2.30 1 163 TYR 6.56 1.00 1 164 SER 3.75 2.80 1 165 PHE 3.68 -1.50 1 166 MET 4.32 1.60 1 167 GLN 0.63 3.10 1 168 ALA 3.13 2.80 1 171 LEU 6.63 -0.60 1 172 VAL -4.35 -3.30 1 173 ASN -1.77 -0.50 1 174 ASP -1.41 0.90 1 175 HIS 1.56 1.30 1 176 VAL -1.91 0.80 1 177 VAL 3.58 0.40 1 182 TYR 0.70 0.60 1 185 ASN -0.06 -0.40 1 186 LYS -0.09 -1.20 1 stop_ save_