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 bmr17447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.50 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _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 -1.40 _LACS_plot.Line_2_terminator_val_x_2 8.01 _LACS_plot.Line_2_terminator_val_y_2 5.46 _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 33 TRP -9.50 -1.78 0 111 TYR 8.01 6.43 0 10 HIS -0.30 1.16 1 11 ILE -0.17 -0.19 1 12 GLU -0.28 0.08 1 14 ARG -0.26 -0.16 1 15 GLU -1.25 -0.22 1 16 GLU -3.43 -1.31 1 17 ALA -5.41 -1.26 1 18 SER -5.65 -3.30 1 19 SER 5.46 2.17 1 20 THR 0.66 -0.55 1 22 ARG 1.89 1.39 1 23 ASN 0.81 -0.25 1 24 PHE 0.62 0.69 1 25 ASN -1.63 -2.38 1 26 VAL 3.31 2.12 1 27 GLU 4.30 2.88 1 28 LYS 2.91 1.31 1 29 ILE 1.79 0.82 1 30 ASN -0.47 1.94 1 32 GLU -0.05 0.45 1 34 HIS -4.40 0.22 1 35 THR 3.25 3.28 1 36 ILE 1.57 -0.08 1 37 ILE -4.33 -1.54 1 38 LEU -6.33 -1.57 1 39 ALA -9.29 -1.83 1 40 SER -4.72 -2.12 1 41 ASP 2.01 0.66 1 42 LYS -0.21 -0.76 1 43 ARG 4.77 4.45 1 44 GLU 4.11 2.19 1 45 LYS 1.77 0.57 1 46 ILE -0.18 -0.22 1 47 GLU -1.41 -0.11 1 48 ASP 3.84 3.54 1 49 ASN 2.36 1.20 1 51 ASN 3.39 1.37 1 52 PHE 2.55 0.48 1 53 ARG 2.13 -1.01 1 54 LEU -4.52 -1.90 1 56 LEU 0.81 1.21 1 57 GLU -3.17 -0.48 1 58 GLN -5.44 -1.15 1 59 ILE -1.38 -0.16 1 60 HIS -4.08 -1.52 1 61 VAL 2.50 1.58 1 62 LEU -2.40 -1.65 1 63 GLU 4.10 3.51 1 64 ASN -1.68 -0.19 1 65 SER -3.49 -0.77 1 66 LEU -4.96 -1.82 1 67 VAL 0.25 -0.05 1 68 LEU -2.68 -1.31 1 69 LYS -2.39 -1.09 1 70 PHE -6.82 -1.95 1 71 HIS -2.36 1.66 1 72 THR -3.03 -1.88 1 73 VAL -1.80 -0.82 1 74 ARG -2.03 -0.96 1 75 ASP 3.86 2.07 1 76 GLU 2.84 1.17 1 77 GLU -3.36 -1.35 1 79 SER -1.97 -0.56 1 80 GLU -2.38 -0.37 1 81 LEU -2.88 0.16 1 82 SER -2.97 -1.47 1 83 MET -4.63 -0.69 1 84 VAL -0.20 -0.35 1 85 ALA -5.54 -3.38 1 86 ASP -3.17 -0.22 1 87 LYS 1.48 1.62 1 88 THR -1.34 -1.63 1 89 GLU 1.55 0.75 1 90 LYS -0.84 -1.08 1 91 ALA 2.07 0.93 1 93 GLU -4.91 -2.28 1 94 TYR -5.25 -1.66 1 95 SER -5.93 -2.48 1 96 VAL -4.29 -1.48 1 97 THR 2.68 1.55 1 98 TYR 2.26 2.09 1 99 ASP 1.72 0.32 1 101 PHE -1.78 -0.07 1 102 ASN -4.96 -1.16 1 103 THR -2.98 -1.80 1 104 PHE -4.62 -1.26 1 105 THR -6.22 -2.52 1 106 ILE -3.36 -1.77 1 108 LYS -4.04 0.00 1 109 THR -2.17 -1.85 1 110 ASP -3.17 -1.87 1 112 ASP -0.90 0.81 1 113 ASN 0.44 3.47 1 114 PHE -7.44 -1.51 1 115 LEU -0.91 1.70 1 116 MET -1.36 -0.66 1 117 ALA -5.62 -2.24 1 118 HIS -6.10 -0.50 1 119 LEU -5.31 -1.48 1 120 ILE -2.00 -0.77 1 121 ASN -4.87 -0.43 1 122 GLU -4.53 -1.59 1 123 LYS -0.79 0.78 1 124 ASP 2.89 1.49 1 126 GLU -4.30 -1.84 1 127 THR -4.52 -2.13 1 128 PHE -2.46 -0.77 1 129 GLN -7.19 -1.99 1 130 LEU -6.33 -1.81 1 131 MET -5.52 -1.61 1 133 LEU -2.46 -2.55 1 134 TYR -3.81 -2.01 1 136 ARG 0.55 0.42 1 137 GLU -2.03 -0.69 1 139 ASP -4.51 -1.95 1 140 LEU -9.14 -2.38 1 141 SER -0.62 -0.17 1 142 SER 4.83 3.52 1 143 ASP 4.03 2.76 1 144 ILE 4.76 2.85 1 145 LYS 6.45 4.99 1 146 GLU 3.34 1.80 1 147 ARG 4.40 3.55 1 148 PHE 3.56 3.52 1 149 ALA 5.09 3.42 1 150 GLN 4.77 3.16 1 151 LEU 3.66 2.70 1 153 GLU 3.77 3.31 1 154 GLU 2.95 2.25 1 155 HIS 1.84 1.69 1 157 ILE 0.50 -0.26 1 158 LEU -0.61 -0.58 1 159 ARG 5.25 3.45 1 160 GLU 2.80 1.56 1 161 ASN 0.33 -0.50 1 162 ILE 1.27 0.88 1 163 ILE -1.09 0.30 1 164 ASP 0.83 0.31 1 165 LEU -1.07 -0.76 1 166 SER 4.08 3.59 1 167 ASN 0.07 -0.10 1 168 ALA -2.09 -0.96 1 169 ASN 1.10 -0.08 1 172 LEU 1.11 0.76 1 173 GLN 0.52 0.10 1 174 ALA -0.27 -0.25 1 175 ARG -0.18 0.01 1 176 GLU 0.05 1.44 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.50 _LACS_plot.Line_1_terminator_val_y_1 6.70 _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 0.60 _LACS_plot.Line_2_terminator_val_x_2 8.01 _LACS_plot.Line_2_terminator_val_y_2 -2.55 _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 33 TRP -9.50 7.72 0 111 TYR 8.01 -1.58 0 10 HIS -0.30 1.46 1 11 ILE -0.17 -0.02 1 12 GLU -0.28 0.36 1 14 ARG -0.26 0.10 1 15 GLU -1.25 1.03 1 16 GLU -3.43 2.12 1 17 ALA -5.41 4.15 1 18 SER -5.65 2.35 1 19 SER 5.46 -3.29 1 20 THR 0.66 -1.21 1 22 ARG 1.89 -0.50 1 23 ASN 0.81 -1.06 1 24 PHE 0.62 0.07 1 25 ASN -1.63 -0.75 1 26 VAL 3.31 -1.19 1 27 GLU 4.30 -1.42 1 28 LYS 2.91 -1.60 1 29 ILE 1.79 -0.97 1 30 ASN -0.47 2.41 1 32 GLU -0.05 0.50 1 34 HIS -4.40 4.62 1 35 THR 3.25 0.03 1 36 ILE 1.57 -1.65 1 37 ILE -4.33 2.79 1 38 LEU -6.33 4.76 1 39 ALA -9.29 7.46 1 40 SER -4.72 2.60 1 41 ASP 2.01 -1.35 1 42 LYS -0.21 -0.55 1 43 ARG 4.77 -0.32 1 44 GLU 4.11 -1.92 1 45 LYS 1.77 -1.20 1 46 ILE -0.18 -0.04 1 47 GLU -1.41 1.30 1 48 ASP 3.84 -0.30 1 49 ASN 2.36 -1.16 1 51 ASN 3.39 -2.02 1 52 PHE 2.55 -2.07 1 53 ARG 2.13 -3.14 1 54 LEU -4.52 2.62 1 56 LEU 0.81 0.40 1 57 GLU -3.17 2.69 1 58 GLN -5.44 4.29 1 59 ILE -1.38 1.22 1 60 HIS -4.08 2.56 1 61 VAL 2.50 -0.92 1 62 LEU -2.40 0.75 1 63 GLU 4.10 -0.59 1 64 ASN -1.68 1.49 1 65 SER -3.49 2.72 1 66 LEU -4.96 3.14 1 67 VAL 0.25 -0.30 1 68 LEU -2.68 1.37 1 69 LYS -2.39 1.30 1 70 PHE -6.82 4.87 1 71 HIS -2.36 4.02 1 72 THR -3.03 1.15 1 73 VAL -1.80 0.98 1 74 ARG -2.03 1.07 1 75 ASP 3.86 -1.79 1 76 GLU 2.84 -1.67 1 77 GLU -3.36 2.01 1 79 SER -1.97 1.41 1 80 GLU -2.38 2.01 1 81 LEU -2.88 3.04 1 82 SER -2.97 1.50 1 83 MET -4.63 3.94 1 84 VAL -0.20 -0.15 1 85 ALA -5.54 2.16 1 86 ASP -3.17 2.95 1 87 LYS 1.48 0.14 1 88 THR -1.34 -0.29 1 89 GLU 1.55 -0.80 1 90 LYS -0.84 -0.24 1 91 ALA 2.07 -1.14 1 93 GLU -4.91 2.63 1 94 TYR -5.25 3.59 1 95 SER -5.93 3.45 1 96 VAL -4.29 2.81 1 97 THR 2.68 -1.13 1 98 TYR 2.26 -0.17 1 99 ASP 1.72 -1.40 1 101 PHE -1.78 1.71 1 102 ASN -4.96 3.80 1 103 THR -2.98 1.18 1 104 PHE -4.62 3.36 1 105 THR -6.22 3.70 1 106 ILE -3.36 1.59 1 108 LYS -4.04 4.04 1 109 THR -2.17 0.32 1 110 ASP -3.17 1.30 1 112 ASP -0.90 1.71 1 113 ASN 0.44 3.03 1 114 PHE -7.44 5.93 1 115 LEU -0.91 2.61 1 116 MET -1.36 0.70 1 117 ALA -5.62 3.38 1 118 HIS -6.10 5.60 1 119 LEU -5.31 3.83 1 120 ILE -2.00 1.23 1 121 ASN -4.87 4.44 1 122 GLU -4.53 2.94 1 123 LYS -0.79 1.57 1 124 ASP 2.89 -1.40 1 126 GLU -4.30 2.46 1 127 THR -4.52 2.39 1 128 PHE -2.46 1.69 1 129 GLN -7.19 5.20 1 130 LEU -6.33 4.52 1 131 MET -5.52 3.91 1 133 LEU -2.46 -0.09 1 134 TYR -3.81 1.80 1 136 ARG 0.55 -0.13 1 137 GLU -2.03 1.34 1 139 ASP -4.51 2.56 1 140 LEU -9.14 6.76 1 141 SER -0.62 0.45 1 142 SER 4.83 -1.31 1 143 ASP 4.03 -1.27 1 144 ILE 4.76 -1.91 1 145 LYS 6.45 -1.46 1 146 GLU 3.34 -1.54 1 147 ARG 4.40 -0.85 1 148 PHE 3.56 -0.04 1 149 ALA 5.09 -1.67 1 150 GLN 4.77 -1.61 1 151 LEU 3.66 -0.96 1 153 GLU 3.77 -0.46 1 154 GLU 2.95 -0.70 1 155 HIS 1.84 -0.15 1 157 ILE 0.50 -0.76 1 158 LEU -0.61 0.03 1 159 ARG 5.25 -1.80 1 160 GLU 2.80 -1.24 1 161 ASN 0.33 -0.83 1 162 ILE 1.27 -0.39 1 163 ILE -1.09 1.39 1 164 ASP 0.83 -0.52 1 165 LEU -1.07 0.31 1 166 SER 4.08 -0.49 1 167 ASN 0.07 -0.17 1 168 ALA -2.09 1.13 1 169 ASN 1.10 -1.18 1 172 LEU 1.11 -0.35 1 173 GLN 0.52 -0.42 1 174 ALA -0.27 0.02 1 175 ARG -0.18 0.19 1 176 GLU 0.05 1.39 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.50 _LACS_plot.Line_1_terminator_val_y_1 1.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 8.01 _LACS_plot.Line_2_terminator_val_y_2 -1.03 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 TRP -9.50 0.12 0 10 HIS -0.30 -0.18 1 11 ILE -0.17 -0.11 1 12 GLU -0.28 -0.13 1 14 ARG -0.26 0.07 1 15 GLU -1.25 0.00 1 16 GLU -3.43 0.25 1 17 ALA -5.41 0.47 1 18 SER -5.65 0.36 1 19 SER 5.46 -0.85 1 20 THR 0.66 -0.38 1 22 ARG 1.89 -0.13 1 23 ASN 0.81 -0.06 1 24 PHE 0.62 -0.37 1 25 ASN -1.63 -0.01 1 26 VAL 3.31 -0.96 1 27 GLU 4.30 -0.61 1 28 LYS 2.91 -0.37 1 29 ILE 1.79 0.75 1 30 ASN -0.47 -0.36 1 32 GLU -0.05 0.13 1 34 HIS -4.40 0.41 1 35 THR 3.25 -0.02 1 36 ILE 1.57 -0.07 1 37 ILE -4.33 0.67 1 38 LEU -6.33 0.90 1 39 ALA -9.29 1.07 1 40 SER -4.72 0.85 1 41 ASP 2.01 0.05 1 42 LYS -0.21 0.20 1 43 ARG 4.77 -0.98 1 44 GLU 4.11 -0.33 1 45 LYS 1.77 -0.24 1 46 ILE -0.18 0.09 1 47 GLU -1.41 -0.30 1 48 ASP 3.84 -0.59 1 49 ASN 2.36 -0.14 1 51 ASN 3.39 -0.33 1 52 PHE 2.55 -0.34 1 53 ARG 2.13 -0.45 1 54 LEU -4.52 -0.17 1 56 LEU 0.81 -0.52 1 57 GLU -3.17 0.54 1 58 GLN -5.44 0.80 1 59 ILE -1.38 0.38 1 60 HIS -4.08 0.64 1 61 VAL 2.50 -0.22 1 62 LEU -2.40 0.35 1 63 GLU 4.10 -0.45 1 64 ASN -1.68 0.24 1 65 SER -3.49 0.97 1 66 LEU -4.96 0.64 1 67 VAL 0.25 0.48 1 68 LEU -2.68 0.20 1 69 LYS -2.39 0.49 1 70 PHE -6.82 0.94 1 71 HIS -2.36 1.01 1 72 THR -3.03 0.44 1 73 VAL -1.80 0.68 1 74 ARG -2.03 0.25 1 75 ASP 3.86 -0.43 1 76 GLU 2.84 -0.63 1 77 GLU -3.36 0.22 1 79 SER -1.97 0.32 1 80 GLU -2.38 0.34 1 81 LEU -2.88 0.22 1 82 SER -2.97 1.14 1 83 MET -4.63 0.24 1 84 VAL -0.20 0.45 1 85 ALA -5.54 1.01 1 86 ASP -3.17 0.50 1 87 LYS 1.48 -0.41 1 88 THR -1.34 0.34 1 89 GLU 1.55 -0.20 1 90 LYS -0.84 -0.10 1 91 ALA 2.07 -0.40 1 93 GLU -4.91 0.54 1 94 TYR -5.25 0.56 1 95 SER -5.93 1.11 1 96 VAL -4.29 0.60 1 97 THR 2.68 0.44 1 98 TYR 2.26 -0.39 1 99 ASP 1.72 -0.79 1 101 PHE -1.78 0.28 1 102 ASN -4.96 1.44 1 103 THR -2.98 0.93 1 104 PHE -4.62 1.26 1 105 THR -6.22 0.42 1 106 ILE -3.36 0.77 1 108 LYS -4.04 0.51 1 109 THR -2.17 -0.21 1 110 ASP -3.17 0.19 1 111 TYR 8.01 -0.75 1 112 ASP -0.90 -0.12 1 113 ASN 0.44 0.38 1 114 PHE -7.44 1.92 1 115 LEU -0.91 -0.18 1 116 MET -1.36 1.39 1 117 ALA -5.62 1.01 1 118 HIS -6.10 0.65 1 119 LEU -5.31 1.04 1 120 ILE -2.00 0.25 1 121 ASN -4.87 0.30 1 122 GLU -4.53 0.65 1 123 LYS -0.79 0.09 1 124 ASP 2.89 -0.37 1 126 GLU -4.30 0.40 1 127 THR -4.52 1.56 1 128 PHE -2.46 0.39 1 129 GLN -7.19 0.88 1 130 LEU -6.33 0.97 1 131 MET -5.52 1.13 1 133 LEU -2.46 0.23 1 134 TYR -3.81 1.09 1 136 ARG 0.55 -0.51 1 137 GLU -2.03 -0.12 1 139 ASP -4.51 0.19 1 140 LEU -9.14 0.41 1 141 SER -0.62 -0.24 1 142 SER 4.83 -0.58 1 143 ASP 4.03 -0.36 1 144 ILE 4.76 -0.83 1 145 LYS 6.45 -0.73 1 146 GLU 3.34 -0.06 1 147 ARG 4.40 -0.42 1 148 PHE 3.56 -0.46 1 149 ALA 5.09 -0.64 1 150 GLN 4.77 -0.38 1 151 LEU 3.66 -0.26 1 153 GLU 3.77 -0.41 1 154 GLU 2.95 -0.45 1 155 HIS 1.84 -0.34 1 157 ILE 0.50 -0.29 1 158 LEU -0.61 -0.14 1 159 ARG 5.25 -0.53 1 160 GLU 2.80 -0.14 1 161 ASN 0.33 -0.12 1 162 ILE 1.27 0.05 1 163 ILE -1.09 0.05 1 164 ASP 0.83 0.12 1 165 LEU -1.07 0.24 1 166 SER 4.08 -0.35 1 167 ASN 0.07 0.10 1 168 ALA -2.09 0.22 1 169 ASN 1.10 -0.51 1 172 LEU 1.11 -0.25 1 173 GLN 0.52 -0.13 1 174 ALA -0.27 -0.07 1 175 ARG -0.18 -0.06 1 176 GLU 0.05 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.50 _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 -1.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 8.01 _LACS_plot.Line_2_terminator_val_y_2 -3.61 _LACS_plot.Y_axis_chem_shift_offset 1.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 140 LEU -9.14 -2.76 0 39 ALA -9.29 -3.39 0 109 THR -2.17 6.11 0 10 HIS -0.30 1.59 1 11 ILE -0.17 -1.82 1 12 GLU -0.28 -3.05 1 14 ARG -0.26 -1.87 1 15 GLU -1.25 -1.62 1 16 GLU -3.43 -1.62 1 17 ALA -5.41 -2.59 1 18 SER -5.65 -0.65 1 19 SER 5.46 1.66 1 20 THR 0.66 0.71 1 22 ARG 1.89 -2.82 1 23 ASN 0.81 0.39 1 24 PHE 0.62 -0.29 1 25 ASN -1.63 1.22 1 26 VAL 3.31 -1.15 1 27 GLU 4.30 -5.41 1 28 LYS 2.91 -4.38 1 29 ILE 1.79 -0.56 1 30 ASN -0.47 -1.70 1 32 GLU -0.05 -1.94 1 33 TRP -9.50 1.38 1 34 HIS -4.40 -0.97 1 35 THR 3.25 3.13 1 36 ILE 1.57 -0.46 1 37 ILE -4.33 -0.41 1 38 LEU -6.33 -1.12 1 40 SER -4.72 2.24 1 41 ASP 2.01 -2.11 1 42 LYS -0.21 -2.00 1 43 ARG 4.77 -3.08 1 44 GLU 4.11 -4.63 1 45 LYS 1.77 -3.36 1 46 ILE -0.18 -1.18 1 47 GLU -1.41 -1.52 1 48 ASP 3.84 -3.07 1 49 ASN 2.36 -0.02 1 51 ASN 3.39 -0.29 1 52 PHE 2.55 0.20 1 53 ARG 2.13 1.37 1 54 LEU -4.52 -3.41 1 56 LEU 0.81 -1.80 1 57 GLU -3.17 -3.23 1 58 GLN -5.44 0.62 1 59 ILE -1.38 -1.19 1 60 HIS -4.08 2.02 1 61 VAL 2.50 -0.92 1 62 LEU -2.40 -3.50 1 63 GLU 4.10 -3.70 1 64 ASN -1.68 1.13 1 65 SER -3.49 3.55 1 66 LEU -4.96 -2.59 1 67 VAL 0.25 -1.21 1 68 LEU -2.68 -1.22 1 69 LYS -2.39 -0.48 1 70 PHE -6.82 -2.01 1 71 HIS -2.36 2.06 1 72 THR -3.03 3.15 1 73 VAL -1.80 -1.12 1 74 ARG -2.03 -1.80 1 75 ASP 3.86 -0.87 1 76 GLU 2.84 -1.35 1 77 GLU -3.36 -2.34 1 79 SER -1.97 2.90 1 80 GLU -2.38 -1.86 1 81 LEU -2.88 -1.38 1 82 SER -2.97 2.31 1 83 MET -4.63 0.70 1 84 VAL -0.20 -0.08 1 85 ALA -5.54 -3.54 1 86 ASP -3.17 -2.15 1 87 LYS 1.48 -4.12 1 88 THR -1.34 1.26 1 89 GLU 1.55 -2.76 1 90 LYS -0.84 -1.74 1 91 ALA 2.07 -5.82 1 93 GLU -4.91 -0.32 1 94 TYR -5.25 0.19 1 95 SER -5.93 2.14 1 96 VAL -4.29 -0.87 1 97 THR 2.68 1.36 1 98 TYR 2.26 1.93 1 99 ASP 1.72 -0.43 1 101 PHE -1.78 -0.05 1 102 ASN -4.96 0.17 1 103 THR -2.98 1.95 1 104 PHE -4.62 1.60 1 105 THR -6.22 2.33 1 106 ILE -3.36 1.47 1 108 LYS -4.04 -0.52 1 110 ASP -3.17 -5.02 1 111 TYR 8.01 -2.59 1 112 ASP -0.90 -1.68 1 113 ASN 0.44 0.98 1 114 PHE -7.44 1.05 1 115 LEU -0.91 -0.82 1 116 MET -1.36 0.75 1 117 ALA -5.62 -2.74 1 118 HIS -6.10 4.09 1 119 LEU -5.31 -0.92 1 120 ILE -2.00 -0.86 1 121 ASN -4.87 1.96 1 122 GLU -4.53 -1.39 1 123 LYS -0.79 -2.19 1 124 ASP 2.89 -1.47 1 126 GLU -4.30 -2.64 1 127 THR -4.52 1.71 1 128 PHE -2.46 3.24 1 129 GLN -7.19 0.28 1 130 LEU -6.33 -1.92 1 131 MET -5.52 -0.58 1 133 LEU -2.46 -0.43 1 134 TYR -3.81 -0.55 1 136 ARG 0.55 -3.34 1 137 GLU -2.03 1.44 1 139 ASP -4.51 -0.49 1 141 SER -0.62 0.25 1 142 SER 4.83 -0.52 1 143 ASP 4.03 -4.50 1 144 ILE 4.76 -3.84 1 145 LYS 6.45 -5.17 1 146 GLU 3.34 -4.64 1 147 ARG 4.40 -5.78 1 148 PHE 3.56 -1.78 1 149 ALA 5.09 -6.89 1 150 GLN 4.77 -4.19 1 151 LEU 3.66 -6.96 1 153 GLU 3.77 -7.25 1 154 GLU 2.95 -3.85 1 155 HIS 1.84 2.24 1 157 ILE 0.50 0.13 1 158 LEU -0.61 -6.23 1 159 ARG 5.25 -4.68 1 160 GLU 2.80 -2.37 1 161 ASN 0.33 3.18 1 162 ILE 1.27 -1.96 1 163 ILE -1.09 0.33 1 164 ASP 0.83 -2.68 1 165 LEU -1.07 -4.65 1 166 SER 4.08 0.81 1 167 ASN 0.07 -0.02 1 168 ALA -2.09 -4.24 1 172 LEU 1.11 -4.66 1 173 GLN 0.52 -1.04 1 174 ALA -0.27 -4.71 1 175 ARG -0.18 -1.33 1 176 GLU 0.05 -7.24 1 stop_ save_