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 bmr6121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 5.58 _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 22 GLN 5.56 0.56 0 10 GLN -2.45 -0.85 1 12 ASP 0.42 0.48 1 13 LEU 3.41 2.57 1 14 ASP -0.72 -2.25 1 15 ALA 0.35 0.88 1 16 ILE -5.38 -1.54 1 17 LYS 1.33 0.83 1 18 MET -3.05 -1.23 1 19 PHE -1.14 0.06 1 20 VAL -2.31 -1.97 1 23 VAL -2.51 -2.19 1 25 ARG 3.77 2.85 1 26 THR 0.19 -0.41 1 27 TRP 0.77 0.65 1 28 SER -5.29 -2.23 1 29 GLU 6.75 5.40 1 30 LYS 4.31 3.54 1 31 ASP 2.56 2.63 1 32 LEU 1.99 2.24 1 33 ARG 6.67 5.46 1 34 GLU 3.28 2.46 1 35 LEU 2.95 2.57 1 36 PHE 4.12 3.81 1 37 GLU 2.82 1.60 1 38 GLN 3.02 2.32 1 39 TYR 0.92 1.29 1 41 ALA 0.23 0.50 1 42 VAL -0.42 0.77 1 43 TYR 2.09 1.38 1 44 GLU -5.73 -1.05 1 45 ILE -3.57 -1.27 1 46 ASN -3.91 -1.22 1 47 VAL 1.92 1.49 1 48 LEU 1.85 0.52 1 49 ARG -4.84 -1.51 1 50 ASP -1.41 -1.50 1 51 ARG 2.42 0.73 1 52 SER 2.08 1.74 1 53 GLN -3.90 -1.80 1 54 ASN -3.95 -1.64 1 57 GLN -4.29 -1.63 1 58 SER 0.08 0.05 1 59 LYS 0.25 0.25 1 63 PHE -4.58 -1.86 1 64 VAL -4.80 -2.46 1 65 THR -0.95 -0.89 1 66 PHE 1.80 2.06 1 67 TYR 6.76 6.61 1 68 THR -5.51 -3.38 1 69 ARG 5.02 4.02 1 70 LYS 3.70 3.49 1 71 ALA 1.81 2.55 1 72 ALA 2.41 2.70 1 73 LEU 3.57 2.13 1 74 GLU 3.53 2.96 1 75 ALA 2.13 2.37 1 76 GLN 5.23 4.46 1 77 ASN 3.07 3.25 1 78 ALA 0.53 1.56 1 79 LEU -0.47 1.64 1 80 HIS 1.71 4.26 1 81 ASN 2.34 1.43 1 82 MET -2.00 0.37 1 83 LYS -2.54 -0.88 1 84 VAL 0.01 -0.69 1 85 LEU 3.29 0.56 1 88 MET -2.09 -2.84 1 89 HIS -1.05 0.06 1 90 HIS -2.84 -0.60 1 92 ILE 0.58 1.41 1 93 GLN -6.04 -3.51 1 94 MET -3.78 -0.20 1 95 LYS -1.97 -0.76 1 97 ALA -0.07 0.46 1 98 ASP 0.03 0.20 1 99 SER 0.57 0.57 1 100 GLU 0.06 0.12 1 101 LYS 0.61 0.39 1 102 ASN 0.27 0.24 1 103 ASN 0.49 0.41 1 104 ALA 0.60 0.53 1 105 VAL 2.15 1.56 1 106 GLU 1.94 1.53 1 107 ASP 0.55 0.69 1 108 ARG -0.09 -0.88 1 109 LYS -3.68 -0.90 1 110 LEU -3.77 -1.96 1 111 PHE -1.52 -0.16 1 112 ILE -2.80 -3.71 1 114 MET 3.94 -0.10 1 115 ILE -3.82 -2.49 1 116 SER -0.79 -0.71 1 117 LYS 3.79 2.82 1 118 LYS 0.26 0.11 1 120 THR -4.60 -1.60 1 121 GLU 6.21 5.17 1 122 ASN 4.13 3.73 1 123 ASP 3.49 3.42 1 124 ILE 4.31 0.96 1 125 ARG 5.50 4.77 1 126 VAL 5.59 4.47 1 127 MET 1.62 3.58 1 128 PHE 1.96 2.46 1 129 SER 4.23 3.65 1 130 SER 3.13 1.90 1 131 PHE 0.71 0.28 1 133 GLN -0.20 0.04 1 134 ILE -0.04 0.24 1 135 GLU -1.21 0.41 1 136 GLU -4.27 -0.86 1 138 ARG -4.83 -1.34 1 139 ILE -1.20 -1.34 1 140 LEU 2.39 1.03 1 141 ARG -4.32 -1.27 1 144 ASP -0.39 -1.35 1 146 LEU 0.02 -0.83 1 147 SER -0.53 0.03 1 148 ARG -0.47 -0.12 1 151 ALA -7.44 -2.22 1 152 PHE -5.56 -1.78 1 153 VAL -4.64 -1.51 1 154 THR -0.79 -0.76 1 155 PHE -4.25 0.23 1 156 THR 5.16 4.48 1 157 THR -5.55 -2.64 1 158 ARG 4.30 3.40 1 159 ALA 4.03 3.12 1 160 MET 4.17 3.65 1 161 ALA 3.48 2.48 1 162 GLN 3.69 3.43 1 163 THR 5.99 4.63 1 164 ALA 2.14 2.09 1 165 ILE 4.73 5.00 1 166 LYS 3.57 2.71 1 167 ALA -0.98 1.49 1 168 MET -2.19 -1.10 1 169 HIS 3.34 5.07 1 170 GLN 4.52 1.62 1 171 ALA 0.73 1.97 1 172 GLN -3.99 -1.55 1 173 THR 0.44 -0.15 1 174 MET -0.67 1.22 1 175 GLU 1.75 1.46 1 178 SER 0.17 0.42 1 179 SER -0.90 0.11 1 181 MET -1.05 1.50 1 182 VAL -4.09 -1.49 1 183 VAL -2.18 -0.62 1 184 LYS -5.17 -2.41 1 185 PHE 4.55 3.73 1 186 ALA 2.03 1.65 1 187 ASP -1.13 -1.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -1.18 _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 22 GLN 5.56 -5.00 0 10 GLN -2.45 1.60 1 12 ASP 0.42 0.06 1 13 LEU 3.41 -0.84 1 14 ASP -0.72 -1.53 1 15 ALA 0.35 0.53 1 16 ILE -5.38 3.84 1 17 LYS 1.33 -0.50 1 18 MET -3.05 1.82 1 19 PHE -1.14 1.20 1 20 VAL -2.31 0.34 1 23 VAL -2.51 0.32 1 25 ARG 3.77 -0.92 1 26 THR 0.19 -0.60 1 27 TRP 0.77 -0.12 1 28 SER -5.29 3.06 1 29 GLU 6.75 -1.35 1 30 LYS 4.31 -0.77 1 31 ASP 2.56 0.07 1 32 LEU 1.99 0.25 1 33 ARG 6.67 -1.21 1 34 GLU 3.28 -0.82 1 35 LEU 2.95 -0.38 1 36 PHE 4.12 -0.31 1 37 GLU 2.82 -1.22 1 38 GLN 3.02 -0.70 1 39 TYR 0.92 0.37 1 41 ALA 0.23 0.27 1 42 VAL -0.42 1.19 1 43 TYR 2.09 -0.71 1 44 GLU -5.73 4.68 1 45 ILE -3.57 2.30 1 46 ASN -3.91 2.69 1 47 VAL 1.92 -0.43 1 48 LEU 1.85 -1.33 1 49 ARG -4.84 3.33 1 50 ASP -1.41 -0.09 1 51 ARG 2.42 -1.69 1 52 SER 2.08 -0.34 1 53 GLN -3.90 2.10 1 54 ASN -3.95 2.31 1 57 GLN -4.29 2.66 1 58 SER 0.08 -0.03 1 59 LYS 0.25 0.00 1 63 PHE -4.58 2.72 1 64 VAL -4.80 2.34 1 65 THR -0.95 0.06 1 66 PHE 1.80 0.26 1 67 TYR 6.76 -0.15 1 68 THR -5.51 2.13 1 69 ARG 5.02 -1.00 1 70 LYS 3.70 -0.21 1 71 ALA 1.81 0.74 1 72 ALA 2.41 0.29 1 73 LEU 3.57 -1.44 1 74 GLU 3.53 -0.57 1 75 ALA 2.13 0.24 1 76 GLN 5.23 -0.77 1 77 ASN 3.07 0.18 1 78 ALA 0.53 1.03 1 79 LEU -0.47 2.11 1 80 HIS 1.71 2.55 1 81 ASN 2.34 -0.91 1 82 MET -2.00 2.37 1 83 LYS -2.54 1.66 1 84 VAL 0.01 -0.70 1 85 LEU 3.29 -2.73 1 88 MET -2.09 -0.75 1 89 HIS -1.05 1.11 1 90 HIS -2.84 2.24 1 92 ILE 0.58 0.83 1 93 GLN -6.04 2.53 1 94 MET -3.78 3.58 1 95 LYS -1.97 1.21 1 97 ALA -0.07 0.53 1 98 ASP 0.03 0.17 1 99 SER 0.57 0.00 1 100 GLU 0.06 0.06 1 101 LYS 0.61 -0.22 1 102 ASN 0.27 -0.03 1 103 ASN 0.49 -0.08 1 104 ALA 0.60 -0.07 1 105 VAL 2.15 -0.59 1 106 GLU 1.94 -0.41 1 107 ASP 0.55 0.14 1 108 ARG -0.09 -0.79 1 109 LYS -3.68 2.78 1 110 LEU -3.77 1.81 1 111 PHE -1.52 1.36 1 112 ILE -2.80 -0.91 1 114 MET 3.94 -4.04 1 115 ILE -3.82 1.33 1 116 SER -0.79 0.08 1 117 LYS 3.79 -0.97 1 118 LYS 0.26 -0.15 1 120 THR -4.60 3.00 1 121 GLU 6.21 -1.04 1 122 ASN 4.13 -0.40 1 123 ASP 3.49 -0.07 1 124 ILE 4.31 -3.35 1 125 ARG 5.50 -0.73 1 126 VAL 5.59 -1.12 1 127 MET 1.62 1.96 1 128 PHE 1.96 0.50 1 129 SER 4.23 -0.58 1 130 SER 3.13 -1.23 1 131 PHE 0.71 -0.43 1 133 GLN -0.20 0.24 1 134 ILE -0.04 0.28 1 135 GLU -1.21 1.62 1 136 GLU -4.27 3.41 1 138 ARG -4.83 3.49 1 139 ILE -1.20 -0.14 1 140 LEU 2.39 -1.36 1 141 ARG -4.32 3.05 1 144 ASP -0.39 -0.96 1 146 LEU 0.02 -0.85 1 147 SER -0.53 0.56 1 148 ARG -0.47 0.35 1 151 ALA -7.44 5.22 1 152 PHE -5.56 3.78 1 153 VAL -4.64 3.13 1 154 THR -0.79 0.03 1 155 PHE -4.25 4.48 1 156 THR 5.16 -0.68 1 157 THR -5.55 2.91 1 158 ARG 4.30 -0.90 1 159 ALA 4.03 -0.91 1 160 MET 4.17 -0.52 1 161 ALA 3.48 -1.00 1 162 GLN 3.69 -0.26 1 163 THR 5.99 -1.36 1 164 ALA 2.14 -0.05 1 165 ILE 4.73 0.27 1 166 LYS 3.57 -0.86 1 167 ALA -0.98 2.47 1 168 MET -2.19 1.09 1 169 HIS 3.34 1.73 1 170 GLN 4.52 -2.90 1 171 ALA 0.73 1.24 1 172 GLN -3.99 2.44 1 173 THR 0.44 -0.59 1 174 MET -0.67 1.89 1 175 GLU 1.75 -0.29 1 178 SER 0.17 0.25 1 179 SER -0.90 1.01 1 181 MET -1.05 2.55 1 182 VAL -4.09 2.60 1 183 VAL -2.18 1.56 1 184 LYS -5.17 2.76 1 185 PHE 4.55 -0.82 1 186 ALA 2.03 -0.38 1 187 ASP -1.13 0.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 164 ALA 2.14 -1.79 0 10 GLN -2.45 -0.10 1 12 ASP 0.42 -0.07 1 13 LEU 3.41 -0.28 1 14 ASP -0.72 0.01 1 15 ALA 0.35 -0.48 1 16 ILE -5.38 0.17 1 17 LYS 1.33 0.07 1 18 MET -3.05 0.53 1 19 PHE -1.14 0.30 1 20 VAL -2.31 0.86 1 22 GLN 5.56 -0.64 1 23 VAL -2.51 -0.17 1 25 ARG 3.77 -0.41 1 26 THR 0.19 -0.02 1 27 TRP 0.77 0.31 1 28 SER -5.29 0.29 1 29 GLU 6.75 -0.60 1 30 LYS 4.31 -0.40 1 31 ASP 2.56 -0.87 1 32 LEU 1.99 -0.39 1 33 ARG 6.67 -0.62 1 34 GLU 3.28 -0.39 1 35 LEU 2.95 -0.08 1 36 PHE 4.12 0.15 1 37 GLU 2.82 0.75 1 38 GLN 3.02 -0.33 1 39 TYR 0.92 -0.16 1 41 ALA 0.23 0.30 1 42 VAL -0.42 -0.35 1 43 TYR 2.09 -0.50 1 44 GLU -5.73 -0.04 1 45 ILE -3.57 0.60 1 46 ASN -3.91 0.47 1 47 VAL 1.92 -0.36 1 48 LEU 1.85 0.13 1 49 ARG -4.84 0.68 1 50 ASP -1.41 0.13 1 51 ARG 2.42 -0.03 1 52 SER 2.08 -0.11 1 53 GLN -3.90 0.08 1 54 ASN -3.95 -0.16 1 57 GLN -4.29 0.29 1 58 SER 0.08 0.00 1 59 LYS 0.25 0.10 1 63 PHE -4.58 1.39 1 64 VAL -4.80 0.68 1 65 THR -0.95 0.59 1 66 PHE 1.80 0.04 1 67 TYR 6.76 -0.73 1 68 THR -5.51 0.63 1 69 ARG 5.02 -0.54 1 70 LYS 3.70 -0.48 1 71 ALA 1.81 -0.44 1 72 ALA 2.41 -0.81 1 73 LEU 3.57 -0.30 1 74 GLU 3.53 -0.38 1 75 ALA 2.13 -1.47 1 76 GLN 5.23 -0.15 1 77 ASN 3.07 -0.36 1 78 ALA 0.53 -0.11 1 79 LEU -0.47 0.07 1 80 HIS 1.71 -0.51 1 81 ASN 2.34 -0.76 1 82 MET -2.00 0.31 1 83 LYS -2.54 0.20 1 84 VAL 0.01 -0.03 1 85 LEU 3.29 -0.28 1 88 MET -2.09 0.22 1 89 HIS -1.05 -0.06 1 90 HIS -2.84 -0.10 1 92 ILE 0.58 -0.19 1 93 GLN -6.04 1.04 1 94 MET -3.78 1.30 1 95 LYS -1.97 0.17 1 97 ALA -0.07 0.06 1 98 ASP 0.03 -0.05 1 99 SER 0.57 -0.11 1 100 GLU 0.06 -0.10 1 101 LYS 0.61 -0.06 1 102 ASN 0.27 -0.06 1 103 ASN 0.49 -0.06 1 104 ALA 0.60 -0.01 1 105 VAL 2.15 -0.23 1 106 GLU 1.94 -0.26 1 107 ASP 0.55 -0.25 1 108 ARG -0.09 0.37 1 109 LYS -3.68 0.81 1 110 LEU -3.77 0.66 1 111 PHE -1.52 -0.01 1 112 ILE -2.80 0.75 1 114 MET 3.94 -0.25 1 115 ILE -3.82 0.55 1 116 SER -0.79 -0.14 1 117 LYS 3.79 -0.38 1 118 LYS 0.26 -0.02 1 120 THR -4.60 0.16 1 121 GLU 6.21 -0.72 1 122 ASN 4.13 -0.37 1 123 ASP 3.49 -0.31 1 124 ILE 4.31 -0.23 1 125 ARG 5.50 -0.53 1 126 VAL 5.59 -0.44 1 127 MET 1.62 -0.43 1 128 PHE 1.96 0.22 1 129 SER 4.23 0.03 1 130 SER 3.13 -0.39 1 131 PHE 0.71 -0.11 1 133 GLN -0.20 0.14 1 134 ILE -0.04 -0.29 1 135 GLU -1.21 -0.05 1 136 GLU -4.27 0.06 1 138 ARG -4.83 0.63 1 139 ILE -1.20 0.08 1 140 LEU 2.39 0.09 1 141 ARG -4.32 0.72 1 144 ASP -0.39 -0.15 1 146 LEU 0.02 0.13 1 147 SER -0.53 -0.13 1 148 ARG -0.47 0.03 1 151 ALA -7.44 0.65 1 152 PHE -5.56 1.20 1 153 VAL -4.64 0.40 1 154 THR -0.79 0.77 1 155 PHE -4.25 0.85 1 156 THR 5.16 -0.23 1 157 THR -5.55 0.61 1 158 ARG 4.30 -0.22 1 159 ALA 4.03 -0.04 1 160 MET 4.17 -0.61 1 161 ALA 3.48 -0.77 1 162 GLN 3.69 -0.44 1 163 THR 5.99 -0.58 1 165 ILE 4.73 -0.97 1 166 LYS 3.57 -0.38 1 167 ALA -0.98 -0.11 1 168 MET -2.19 0.35 1 169 HIS 3.34 -0.31 1 170 GLN 4.52 -0.47 1 171 ALA 0.73 -0.11 1 172 GLN -3.99 0.29 1 173 THR 0.44 0.30 1 174 MET -0.67 -0.16 1 175 GLU 1.75 -0.33 1 178 SER 0.17 -0.02 1 179 SER -0.90 0.19 1 181 MET -1.05 -0.07 1 182 VAL -4.09 0.63 1 183 VAL -2.18 0.89 1 184 LYS -5.17 0.26 1 185 PHE 4.55 0.05 1 186 ALA 2.03 -0.07 1 187 ASP -1.13 0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6121_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -2.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 1.69 _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 179 SER -0.90 9.10 0 10 GLN -2.45 -2.00 1 12 ASP 0.42 1.50 1 13 LEU 3.41 -0.21 1 14 ASP -0.72 -0.66 1 15 ALA 0.35 -0.70 1 16 ILE -5.38 -2.09 1 17 LYS 1.33 -0.69 1 18 MET -3.05 -1.22 1 19 PHE -1.14 -2.47 1 20 VAL -2.31 -2.07 1 22 GLN 5.56 -1.88 1 23 VAL -2.51 -1.30 1 25 ARG 3.77 -0.48 1 26 THR 0.19 1.19 1 27 TRP 0.77 0.43 1 28 SER -5.29 -0.02 1 29 GLU 6.75 0.99 1 30 LYS 4.31 1.61 1 31 ASP 2.56 2.21 1 32 LEU 1.99 0.05 1 33 ARG 6.67 0.71 1 34 GLU 3.28 2.12 1 35 LEU 2.95 0.78 1 36 PHE 4.12 2.46 1 37 GLU 2.82 1.35 1 38 GLN 3.02 0.76 1 39 TYR 0.92 -1.12 1 41 ALA 0.23 1.01 1 42 VAL -0.42 -1.61 1 43 TYR 2.09 -1.21 1 44 GLU -5.73 -2.82 1 45 ILE -3.57 -2.78 1 46 ASN -3.91 -0.64 1 47 VAL 1.92 -0.93 1 48 LEU 1.85 -1.70 1 49 ARG -4.84 -1.14 1 50 ASP -1.41 0.55 1 51 ARG 2.42 -0.13 1 52 SER 2.08 -0.55 1 53 GLN -3.90 -2.62 1 54 ASN -3.95 -0.40 1 57 GLN -4.29 -0.15 1 58 SER 0.08 1.21 1 59 LYS 0.25 0.81 1 63 PHE -4.58 0.41 1 64 VAL -4.80 -2.02 1 65 THR -0.95 0.40 1 66 PHE 1.80 0.32 1 67 TYR 6.76 -0.24 1 68 THR -5.51 1.88 1 69 ARG 5.02 1.19 1 70 LYS 3.70 1.61 1 71 ALA 1.81 0.20 1 72 ALA 2.41 1.83 1 73 LEU 3.57 2.83 1 74 GLU 3.53 3.12 1 75 ALA 2.13 0.34 1 76 GLN 5.23 2.10 1 77 ASN 3.07 2.05 1 78 ALA 0.53 -3.75 1 79 LEU -0.47 1.84 1 80 HIS 1.71 3.15 1 81 ASN 2.34 -0.56 1 82 MET -2.00 -0.59 1 83 LYS -2.54 -3.33 1 84 VAL 0.01 0.15 1 85 LEU 3.29 -2.50 1 88 MET -2.09 0.83 1 89 HIS -1.05 2.19 1 92 ILE 0.58 -1.63 1 93 GLN -6.04 -0.90 1 94 MET -3.78 -2.99 1 95 LYS -1.97 -2.70 1 97 ALA -0.07 -0.43 1 98 ASP 0.03 0.11 1 99 SER 0.57 0.21 1 100 GLU 0.06 0.02 1 101 LYS 0.61 -0.23 1 102 ASN 0.27 -0.25 1 103 ASN 0.49 -0.07 1 104 ALA 0.60 0.64 1 105 VAL 2.15 0.47 1 106 GLU 1.94 0.46 1 107 ASP 0.55 -0.95 1 108 ARG -0.09 -3.92 1 109 LYS -3.68 -1.72 1 110 LEU -3.77 -0.95 1 111 PHE -1.52 -3.45 1 112 ILE -2.80 -1.59 1 114 MET 3.94 -1.46 1 115 ILE -3.82 -0.37 1 116 SER -0.79 3.09 1 117 LYS 3.79 -0.58 1 118 LYS 0.26 0.91 1 120 THR -4.60 0.80 1 121 GLU 6.21 1.96 1 122 ASN 4.13 1.50 1 123 ASP 3.49 2.86 1 124 ILE 4.31 1.40 1 125 ARG 5.50 3.11 1 126 VAL 5.59 2.84 1 127 MET 1.62 1.32 1 128 PHE 1.96 0.92 1 129 SER 4.23 0.93 1 130 SER 3.13 0.41 1 131 PHE 0.71 -1.35 1 133 GLN -0.20 -1.53 1 134 ILE -0.04 -0.12 1 135 GLU -1.21 -0.49 1 136 GLU -4.27 -3.05 1 138 ARG -4.83 -1.71 1 139 ILE -1.20 -0.18 1 140 LEU 2.39 -2.28 1 141 ARG -4.32 1.06 1 144 ASP -0.39 0.53 1 146 LEU 0.02 0.01 1 147 SER -0.53 1.88 1 148 ARG -0.47 1.17 1 151 ALA -7.44 -4.29 1 152 PHE -5.56 0.69 1 153 VAL -4.64 -2.53 1 154 THR -0.79 0.14 1 155 PHE -4.25 0.76 1 156 THR 5.16 0.83 1 157 THR -5.55 -0.59 1 158 ARG 4.30 1.35 1 159 ALA 4.03 3.22 1 160 MET 4.17 0.23 1 161 ALA 3.48 0.75 1 162 GLN 3.69 3.02 1 163 THR 5.99 1.16 1 164 ALA 2.14 1.10 1 165 ILE 4.73 1.68 1 166 LYS 3.57 1.91 1 167 ALA -0.98 1.69 1 168 MET -2.19 2.00 1 169 HIS 3.34 2.60 1 170 GLN 4.52 -0.30 1 171 ALA 0.73 -0.59 1 172 GLN -3.99 -2.53 1 173 THR 0.44 0.29 1 174 MET -0.67 -1.11 1 175 GLU 1.75 0.74 1 178 SER 0.17 -1.16 1 181 MET -1.05 -1.12 1 182 VAL -4.09 -1.20 1 183 VAL -2.18 -3.10 1 184 LYS -5.17 -2.05 1 185 PHE 4.55 1.36 1 186 ALA 2.03 0.23 1 187 ASP -1.13 0.60 1 stop_ save_