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 bmr36077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 6.98 _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 64 TYR -8.06 -0.55 0 61 ILE 2.24 -2.40 0 10 GLN 0.23 0.49 1 11 ASP 0.28 0.34 1 12 LEU 0.53 0.39 1 13 LEU 0.38 0.17 1 14 LEU -0.14 -0.32 1 15 LEU -1.02 -0.34 1 16 ASP -0.31 -0.02 1 17 VAL -7.60 -4.02 1 18 ALA -0.57 -1.44 1 20 LEU -8.50 -2.55 1 21 SER 2.01 1.12 1 22 LEU -7.20 -2.42 1 24 LEU -5.81 -2.54 1 25 GLU -3.69 -0.98 1 26 THR -1.22 -1.12 1 27 ALA 1.12 1.00 1 30 VAL -1.54 -0.27 1 31 MET -1.13 -0.60 1 32 THR 0.84 0.50 1 33 ALA 0.53 0.31 1 34 LEU 0.09 1.60 1 35 ILE -3.77 -1.89 1 36 LYS -0.41 -0.09 1 37 ARG 2.73 1.91 1 38 ASN 5.01 2.21 1 39 SER 1.67 1.61 1 40 THR 1.59 1.49 1 41 ILE -1.25 -0.89 1 43 THR 1.19 -0.06 1 44 LYS -3.47 -1.05 1 45 GLN -5.50 -1.31 1 46 THR -2.51 -0.31 1 47 GLN -5.74 -0.79 1 48 ILE 0.25 -0.94 1 49 PHE -4.61 -0.96 1 50 THR -3.76 -2.92 1 51 THR -0.58 -1.63 1 52 TYR -1.90 0.56 1 53 SER -3.65 -1.57 1 54 ASP 1.47 1.35 1 55 ASN 4.28 1.82 1 56 GLN -0.34 1.27 1 59 VAL -5.52 -3.24 1 60 LEU -2.03 -1.60 1 62 GLN -4.65 -1.00 1 63 VAL 0.37 -0.33 1 65 GLU -7.66 -3.56 1 67 GLU -3.70 -1.90 1 68 ARG 1.07 -2.41 1 69 ALA 0.21 2.28 1 70 MET -1.17 -3.45 1 72 LYS 4.19 2.08 1 73 ASP -1.02 0.44 1 74 ASN -3.19 -1.26 1 75 ASN -1.86 -0.27 1 76 LEU 1.52 0.57 1 77 LEU -1.94 -0.41 1 79 ARG -5.82 -1.69 1 80 PHE -1.56 -0.81 1 81 GLU -5.63 -2.02 1 82 LEU -2.27 -0.48 1 83 SER -2.92 -1.49 1 85 ILE 1.67 0.80 1 88 ALA -1.41 0.23 1 90 ARG 1.40 -0.29 1 92 VAL 8.65 6.05 1 94 GLN -2.53 -0.97 1 95 ILE -2.21 -2.70 1 96 GLU -2.82 -0.15 1 97 VAL -1.54 -0.79 1 98 THR -2.26 -0.61 1 99 PHE -2.65 -1.69 1 100 ASP -5.07 -1.10 1 101 ILE -4.38 -1.79 1 102 ASP -2.18 -1.58 1 103 ALA 2.05 1.73 1 104 ASN -1.16 -0.25 1 106 ILE 4.00 1.09 1 107 LEU -3.44 -1.89 1 108 ASN -4.31 -0.62 1 109 VAL -2.24 -1.42 1 110 THR -2.31 -0.79 1 111 ALA -5.78 -2.11 1 112 THR -2.75 -0.81 1 113 ASP -1.02 -0.35 1 114 LYS 4.09 2.20 1 115 SER 3.35 2.83 1 116 THR -1.28 0.25 1 118 LYS 1.91 1.59 1 119 ALA -7.36 -1.77 1 120 ASN -4.12 -1.66 1 121 LYS -5.29 -1.72 1 122 ILE -4.51 -0.78 1 123 THR -0.77 0.01 1 124 ILE -2.03 -1.11 1 125 THR 0.45 -0.05 1 126 ASN -0.51 -0.38 1 127 ASP 0.17 0.40 1 128 LYS 1.16 0.89 1 130 ARG -0.86 -1.32 1 131 LEU -1.57 -0.45 1 132 SER -3.32 -1.35 1 133 LYS 4.52 3.94 1 134 GLU 4.44 3.67 1 135 GLU 1.93 2.48 1 136 ILE 5.56 4.96 1 137 GLU 3.39 3.05 1 138 ARG 5.39 3.74 1 139 MET 4.05 3.95 1 140 VAL 6.06 5.10 1 141 GLN 4.39 3.24 1 142 GLU 3.00 3.18 1 143 ALA 3.34 2.73 1 144 GLU 2.88 2.34 1 145 LYS 3.64 3.04 1 146 TYR 0.77 -0.13 1 147 LYS 4.35 4.32 1 148 ALA 3.96 2.87 1 149 GLU 3.70 3.20 1 150 ASP 3.71 2.87 1 151 GLU 3.45 2.94 1 152 VAL 4.75 3.74 1 153 GLN 3.64 3.06 1 154 ARG 3.77 3.34 1 155 GLU 1.54 1.01 1 156 ARG 1.69 1.57 1 157 VAL 0.57 0.34 1 158 SER 0.64 0.64 1 159 ALA -0.31 -0.44 1 160 LYS 0.76 0.57 1 161 ASN 0.85 -0.17 1 162 ALA -4.23 -1.71 1 163 LEU -4.37 -2.26 1 164 GLU -3.12 -0.51 1 165 SER -1.06 -0.20 1 166 TYR -2.81 -1.57 1 167 ALA -0.57 -0.31 1 168 PHE 2.20 2.18 1 169 ASN 0.33 0.15 1 170 MET 0.18 0.27 1 171 LYS 0.54 0.47 1 172 SER -0.09 0.12 1 173 ALA -0.10 0.18 1 174 VAL 0.60 0.38 1 175 GLU -0.10 0.17 1 176 ASP 0.02 0.36 1 177 GLU 0.92 1.01 1 179 LEU 0.51 0.39 1 180 LYS 0.91 0.57 1 182 LYS 0.11 -0.01 1 183 ILE -0.02 0.05 1 184 SER -0.47 -0.10 1 185 GLU 0.29 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 5.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _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 64 TYR -8.06 7.51 0 61 ILE 2.24 -4.64 0 10 GLN 0.23 0.26 1 11 ASP 0.28 0.06 1 12 LEU 0.53 -0.14 1 13 LEU 0.38 -0.21 1 14 LEU -0.14 -0.18 1 15 LEU -1.02 0.68 1 16 ASP -0.31 0.29 1 17 VAL -7.60 3.58 1 18 ALA -0.57 -0.87 1 20 LEU -8.50 5.95 1 21 SER 2.01 -0.89 1 22 LEU -7.20 4.78 1 24 LEU -5.81 3.27 1 25 GLU -3.69 2.71 1 26 THR -1.22 0.10 1 27 ALA 1.12 -0.12 1 30 VAL -1.54 1.27 1 31 MET -1.13 0.53 1 32 THR 0.84 -0.34 1 33 ALA 0.53 -0.22 1 34 LEU 0.09 1.51 1 35 ILE -3.77 1.88 1 36 LYS -0.41 0.32 1 37 ARG 2.73 -0.82 1 38 ASN 5.01 -2.80 1 39 SER 1.67 -0.06 1 40 THR 1.59 -0.10 1 41 ILE -1.25 0.36 1 43 THR 1.19 -1.25 1 44 LYS -3.47 2.42 1 45 GLN -5.50 4.19 1 46 THR -2.51 2.20 1 47 GLN -5.74 4.95 1 48 ILE 0.25 -1.19 1 49 PHE -4.61 3.65 1 50 THR -3.76 0.84 1 51 THR -0.58 -1.05 1 52 TYR -1.90 2.46 1 53 SER -3.65 2.08 1 54 ASP 1.47 -0.12 1 55 ASN 4.28 -2.46 1 56 GLN -0.34 1.61 1 59 VAL -5.52 2.28 1 60 LEU -2.03 0.43 1 62 GLN -4.65 3.65 1 63 VAL 0.37 -0.70 1 65 GLU -7.66 4.10 1 67 GLU -3.70 1.80 1 68 ARG 1.07 -3.48 1 69 ALA 0.21 2.07 1 70 MET -1.17 -2.28 1 72 LYS 4.19 -2.11 1 73 ASP -1.02 1.46 1 74 ASN -3.19 1.93 1 75 ASN -1.86 1.59 1 76 LEU 1.52 -0.95 1 77 LEU -1.94 1.53 1 79 ARG -5.82 4.13 1 80 PHE -1.56 0.75 1 81 GLU -5.63 3.61 1 82 LEU -2.27 1.79 1 83 SER -2.92 1.43 1 85 ILE 1.67 -0.87 1 88 ALA -1.41 1.64 1 90 ARG 1.40 -1.69 1 92 VAL 8.65 -2.60 1 94 GLN -2.53 1.56 1 95 ILE -2.21 -0.49 1 96 GLU -2.82 2.67 1 97 VAL -1.54 0.75 1 98 THR -2.26 1.65 1 99 PHE -2.65 0.96 1 100 ASP -5.07 3.97 1 101 ILE -4.38 2.59 1 102 ASP -2.18 0.60 1 103 ALA 2.05 -0.32 1 104 ASN -1.16 0.91 1 106 ILE 4.00 -2.91 1 107 LEU -3.44 1.55 1 108 ASN -4.31 3.69 1 109 VAL -2.24 0.82 1 110 THR -2.31 1.52 1 111 ALA -5.78 3.67 1 112 THR -2.75 1.94 1 113 ASP -1.02 0.67 1 114 LYS 4.09 -1.89 1 115 SER 3.35 -0.52 1 116 THR -1.28 1.53 1 118 LYS 1.91 -0.32 1 119 ALA -7.36 5.59 1 120 ASN -4.12 2.46 1 121 LYS -5.29 3.57 1 122 ILE -4.51 3.73 1 123 THR -0.77 0.78 1 124 ILE -2.03 0.92 1 125 THR 0.45 -0.50 1 126 ASN -0.51 0.13 1 127 ASP 0.17 0.23 1 128 LYS 1.16 -0.27 1 130 ARG -0.86 -0.46 1 131 LEU -1.57 1.12 1 132 SER -3.32 1.97 1 133 LYS 4.52 -0.58 1 134 GLU 4.44 -0.77 1 135 GLU 1.93 0.55 1 136 ILE 5.56 -0.60 1 137 GLU 3.39 -0.34 1 138 ARG 5.39 -1.65 1 139 MET 4.05 -0.10 1 140 VAL 6.06 -0.96 1 141 GLN 4.39 -1.15 1 142 GLU 3.00 0.18 1 143 ALA 3.34 -0.61 1 144 GLU 2.88 -0.54 1 145 LYS 3.64 -0.60 1 146 TYR 0.77 -0.90 1 147 LYS 4.35 -0.03 1 148 ALA 3.96 -1.09 1 149 GLU 3.70 -0.50 1 150 ASP 3.71 -0.84 1 151 GLU 3.45 -0.51 1 152 VAL 4.75 -1.01 1 153 GLN 3.64 -0.58 1 154 ARG 3.77 -0.43 1 155 GLU 1.54 -0.53 1 156 ARG 1.69 -0.12 1 157 VAL 0.57 -0.23 1 158 SER 0.64 0.00 1 159 ALA -0.31 -0.13 1 160 LYS 0.76 -0.19 1 161 ASN 0.85 -1.02 1 162 ALA -4.23 2.52 1 163 LEU -4.37 2.11 1 164 GLU -3.12 2.61 1 165 SER -1.06 0.86 1 166 TYR -2.81 1.24 1 167 ALA -0.57 0.26 1 168 PHE 2.20 -0.02 1 169 ASN 0.33 -0.18 1 170 MET 0.18 0.09 1 171 LYS 0.54 -0.07 1 172 SER -0.09 0.21 1 173 ALA -0.10 0.28 1 174 VAL 0.60 -0.22 1 175 GLU -0.10 0.27 1 176 ASP 0.02 0.34 1 177 GLU 0.92 0.09 1 179 LEU 0.51 -0.12 1 180 LYS 0.91 -0.34 1 182 LYS 0.11 -0.12 1 183 ILE -0.02 0.07 1 184 SER -0.47 0.37 1 185 GLU 0.29 1.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _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 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 20 LEU -8.50 0.23 0 24 LEU -5.81 1.87 0 10 GLN 0.23 -0.06 1 11 ASP 0.28 -0.10 1 12 LEU 0.53 -0.08 1 13 LEU 0.38 -0.03 1 14 LEU -0.14 0.05 1 15 LEU -1.02 0.13 1 16 ASP -0.31 0.07 1 17 VAL -7.60 1.00 1 18 ALA -0.57 0.00 1 21 SER 2.01 0.20 1 22 LEU -7.20 1.11 1 25 GLU -3.69 0.47 1 26 THR -1.22 0.44 1 27 ALA 1.12 -0.38 1 30 VAL -1.54 0.00 1 31 MET -1.13 -0.48 1 32 THR 0.84 0.15 1 33 ALA 0.53 -0.20 1 34 LEU 0.09 0.08 1 35 ILE -3.77 0.20 1 36 LYS -0.41 -0.12 1 37 ARG 2.73 -0.92 1 38 ASN 5.01 -0.56 1 39 SER 1.67 -0.01 1 40 THR 1.59 0.15 1 41 ILE -1.25 -0.21 1 43 THR 1.19 0.28 1 44 LYS -3.47 1.25 1 45 GLN -5.50 0.49 1 46 THR -2.51 1.36 1 47 GLN -5.74 0.25 1 48 ILE 0.25 0.55 1 49 PHE -4.61 0.42 1 50 THR -3.76 0.57 1 52 TYR -1.90 0.00 1 53 SER -3.65 0.21 1 54 ASP 1.47 -0.21 1 55 ASN 4.28 -0.47 1 56 GLN -0.34 -0.24 1 59 VAL -5.52 0.33 1 60 LEU -2.03 0.17 1 61 ILE 2.24 -0.32 1 62 GLN -4.65 0.44 1 63 VAL 0.37 0.50 1 64 TYR -8.06 0.67 1 65 GLU -7.66 1.43 1 67 GLU -3.70 0.12 1 68 ARG 1.07 0.06 1 69 ALA 0.21 -0.26 1 70 MET -1.17 0.69 1 72 LYS 4.19 -0.18 1 73 ASP -1.02 0.25 1 74 ASN -3.19 0.52 1 75 ASN -1.86 0.50 1 76 LEU 1.52 -0.96 1 77 LEU -1.94 0.14 1 79 ARG -5.82 1.40 1 80 PHE -1.56 0.17 1 81 GLU -5.63 0.64 1 82 LEU -2.27 0.57 1 83 SER -2.92 0.67 1 85 ILE 1.67 -0.31 1 88 ALA -1.41 0.14 1 90 ARG 1.40 -0.45 1 92 VAL 8.65 -0.29 1 94 GLN -2.53 0.46 1 95 ILE -2.21 0.66 1 96 GLU -2.82 0.29 1 97 VAL -1.54 1.32 1 98 THR -2.26 1.13 1 99 PHE -2.65 0.46 1 100 ASP -5.07 0.67 1 101 ILE -4.38 1.23 1 102 ASP -2.18 0.13 1 103 ALA 2.05 -0.47 1 104 ASN -1.16 0.08 1 106 ILE 4.00 -0.37 1 107 LEU -3.44 0.77 1 108 ASN -4.31 0.69 1 109 VAL -2.24 0.96 1 110 THR -2.31 0.66 1 111 ALA -5.78 1.37 1 112 THR -2.75 0.78 1 113 ASP -1.02 0.19 1 114 LYS 4.09 -0.25 1 115 SER 3.35 0.00 1 116 THR -1.28 0.12 1 118 LYS 1.91 -0.18 1 119 ALA -7.36 1.52 1 120 ASN -4.12 0.25 1 121 LYS -5.29 0.65 1 122 ILE -4.51 0.16 1 123 THR -0.77 0.53 1 124 ILE -2.03 0.16 1 125 THR 0.45 -0.02 1 126 ASN -0.51 0.08 1 127 ASP 0.17 -0.05 1 128 LYS 1.16 -0.02 1 130 ARG -0.86 -0.05 1 131 LEU -1.57 0.14 1 132 SER -3.32 0.04 1 133 LYS 4.52 -0.34 1 134 GLU 4.44 -0.26 1 135 GLU 1.93 -0.17 1 136 ILE 5.56 -0.55 1 137 GLU 3.39 -0.38 1 138 ARG 5.39 -0.26 1 139 MET 4.05 -0.34 1 140 VAL 6.06 -0.66 1 141 GLN 4.39 -0.21 1 142 GLU 3.00 -0.27 1 143 ALA 3.34 -0.34 1 144 GLU 2.88 -0.29 1 145 LYS 3.64 -0.41 1 146 TYR 0.77 0.40 1 147 LYS 4.35 -0.12 1 148 ALA 3.96 -0.10 1 149 GLU 3.70 -0.26 1 150 ASP 3.71 -0.25 1 151 GLU 3.45 -0.27 1 152 VAL 4.75 -0.36 1 153 GLN 3.64 -0.31 1 154 ARG 3.77 -0.39 1 155 GLU 1.54 -0.20 1 156 ARG 1.69 -0.16 1 157 VAL 0.57 -0.04 1 158 SER 0.64 -0.03 1 159 ALA -0.31 0.26 1 160 LYS 0.76 -0.02 1 161 ASN 0.85 -0.07 1 162 ALA -4.23 0.44 1 163 LEU -4.37 0.50 1 165 SER -1.06 -0.22 1 166 TYR -2.81 0.06 1 167 ALA -0.57 -0.13 1 168 PHE 2.20 -0.33 1 169 ASN 0.33 -0.18 1 170 MET 0.18 -0.09 1 171 LYS 0.54 -0.05 1 172 SER -0.09 -0.09 1 173 ALA -0.10 0.03 1 174 VAL 0.60 -0.05 1 175 GLU -0.10 -0.08 1 176 ASP 0.02 -0.05 1 177 GLU 0.92 -0.16 1 179 LEU 0.51 -0.02 1 180 LYS 0.91 -0.06 1 182 LYS 0.11 0.04 1 183 ILE -0.02 0.06 1 184 SER -0.47 0.03 1 185 GLU 0.29 0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.44 _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 8.65 _LACS_plot.Line_2_terminator_val_y_2 3.21 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 GLU 0.29 4.53 0 92 VAL 8.65 -0.54 0 43 THR 1.19 -4.91 0 10 GLN 0.23 -0.25 1 11 ASP 0.28 -0.05 1 12 LEU 0.53 -0.42 1 13 LEU 0.38 -0.83 1 14 LEU -0.14 -0.87 1 15 LEU -1.02 -0.98 1 16 ASP -0.31 -0.82 1 17 VAL -7.60 -0.66 1 18 ALA -0.57 0.33 1 20 LEU -8.50 -1.66 1 21 SER 2.01 -1.82 1 22 LEU -7.20 -0.04 1 24 LEU -5.81 -2.26 1 25 GLU -3.69 0.57 1 26 THR -1.22 -0.55 1 27 ALA 1.12 -0.28 1 30 VAL -1.54 -1.77 1 31 MET -1.13 -1.78 1 32 THR 0.84 -1.25 1 33 ALA 0.53 -0.94 1 34 LEU 0.09 -1.27 1 35 ILE -3.77 -1.39 1 36 LYS -0.41 0.37 1 37 ARG 2.73 -0.65 1 38 ASN 5.01 -0.60 1 39 SER 1.67 -0.86 1 40 THR 1.59 -1.08 1 41 ILE -1.25 -1.32 1 44 LYS -3.47 -1.19 1 45 GLN -5.50 -1.94 1 46 THR -2.51 -0.55 1 47 GLN -5.74 -2.93 1 48 ILE 0.25 -0.89 1 49 PHE -4.61 -2.67 1 50 THR -3.76 -0.71 1 51 THR -0.58 -0.33 1 52 TYR -1.90 -1.27 1 53 SER -3.65 -1.30 1 54 ASP 1.47 0.43 1 55 ASN 4.28 -1.16 1 56 GLN -0.34 2.29 1 59 VAL -5.52 -3.60 1 60 LEU -2.03 -2.92 1 61 ILE 2.24 -2.65 1 62 GLN -4.65 -2.35 1 63 VAL 0.37 -2.01 1 64 TYR -8.06 -1.66 1 65 GLU -7.66 -1.01 1 67 GLU -3.70 1.25 1 68 ARG 1.07 1.40 1 69 ALA 0.21 -1.51 1 70 MET -1.17 1.89 1 72 LYS 4.19 -0.41 1 73 ASP -1.02 -1.53 1 74 ASN -3.19 -2.38 1 75 ASN -1.86 -1.28 1 76 LEU 1.52 -1.12 1 77 LEU -1.94 0.02 1 79 ARG -5.82 -2.17 1 80 PHE -1.56 -4.55 1 81 GLU -5.63 -0.89 1 82 LEU -2.27 -3.20 1 83 SER -2.92 -0.74 1 85 ILE 1.67 -0.64 1 88 ALA -1.41 -1.83 1 90 ARG 1.40 0.02 1 94 GLN -2.53 -3.05 1 95 ILE -2.21 -1.01 1 96 GLU -2.82 -0.63 1 97 VAL -1.54 -2.25 1 98 THR -2.26 -0.74 1 99 PHE -2.65 -3.01 1 100 ASP -5.07 -1.88 1 101 ILE -4.38 -0.98 1 102 ASP -2.18 0.76 1 103 ALA 2.05 -0.01 1 104 ASN -1.16 0.30 1 106 ILE 4.00 -1.52 1 107 LEU -3.44 -3.88 1 108 ASN -4.31 -0.41 1 109 VAL -2.24 -2.08 1 110 THR -2.31 -1.52 1 111 ALA -5.78 -2.96 1 112 THR -2.75 -0.79 1 113 ASP -1.02 0.83 1 114 LYS 4.09 1.85 1 115 SER 3.35 1.37 1 116 THR -1.28 2.03 1 118 LYS 1.91 -1.92 1 119 ALA -7.36 -0.28 1 120 ASN -4.12 -3.73 1 121 LYS -5.29 -2.52 1 122 ILE -4.51 -4.22 1 123 THR -0.77 -0.91 1 124 ILE -2.03 -1.21 1 125 THR 0.45 -0.90 1 126 ASN -0.51 -0.41 1 127 ASP 0.17 0.37 1 128 LYS 1.16 0.60 1 130 ARG -0.86 0.40 1 131 LEU -1.57 -0.85 1 132 SER -3.32 0.16 1 133 LYS 4.52 2.30 1 134 GLU 4.44 2.83 1 135 GLU 1.93 2.55 1 136 ILE 5.56 1.19 1 137 GLU 3.39 2.68 1 138 ARG 5.39 2.54 1 139 MET 4.05 3.14 1 140 VAL 6.06 2.55 1 141 GLN 4.39 3.84 1 142 GLU 3.00 1.41 1 143 ALA 3.34 2.22 1 144 GLU 2.88 2.51 1 145 LYS 3.64 1.96 1 146 TYR 0.77 -0.79 1 147 LYS 4.35 1.73 1 148 ALA 3.96 2.96 1 149 GLU 3.70 3.14 1 150 ASP 3.71 1.87 1 151 GLU 3.45 2.49 1 152 VAL 4.75 2.61 1 153 GLN 3.64 2.78 1 154 ARG 3.77 2.12 1 155 GLU 1.54 0.82 1 156 ARG 1.69 0.26 1 157 VAL 0.57 -0.51 1 158 SER 0.64 0.17 1 159 ALA -0.31 -0.44 1 160 LYS 0.76 -0.49 1 161 ASN 0.85 -2.15 1 162 ALA -4.23 -2.15 1 163 LEU -4.37 -0.27 1 164 GLU -3.12 -0.81 1 165 SER -1.06 -0.99 1 166 TYR -2.81 -1.72 1 167 ALA -0.57 -0.80 1 168 PHE 2.20 0.33 1 169 ASN 0.33 -0.21 1 170 MET 0.18 -0.27 1 171 LYS 0.54 -0.03 1 172 SER -0.09 -0.35 1 173 ALA -0.10 0.03 1 174 VAL 0.60 0.17 1 175 GLU -0.10 -0.36 1 176 ASP 0.02 0.49 1 177 GLU 0.92 1.02 1 179 LEU 0.51 0.28 1 180 LYS 0.91 0.65 1 182 LYS 0.11 0.00 1 183 ILE -0.02 -0.24 1 184 SER -0.47 -1.17 1 stop_ save_