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 bmr7081_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.09
_LACS_plot.Line_1_terminator_val_y_1 -2.47
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.77
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.22
_LACS_plot.Line_2_terminator_val_x_2 9.06
_LACS_plot.Line_2_terminator_val_y_2 6.21
_LACS_plot.Y_axis_chem_shift_offset -0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
49 THR -3.22 -4.44 0
107 GLU 9.06 7.50 0
10 GLU 1.63 1.25 1
11 LEU 2.26 1.57 1
12 ARG 3.41 1.72 1
13 ASN 2.32 1.38 1
14 ARG -1.96 -0.53 1
15 THR 0.38 -0.14 1
17 SER 3.78 2.68 1
18 ASP -1.06 0.49 1
19 VAL 1.95 1.38 1
20 LYS -0.26 0.54 1
21 GLU -5.79 -2.11 1
22 LEU -4.87 -0.87 1
23 VAL 0.78 -0.10 1
24 LEU -2.05 -2.43 1
25 ASP 0.04 0.34 1
26 ASN 3.61 2.36 1
28 LYS -2.37 -0.95 1
29 SER 0.00 -0.22 1
35 GLU -4.39 -1.33 1
37 LEU -2.81 -1.31 1
38 THR -4.70 -1.92 1
39 ASP 1.49 0.85 1
40 GLU 0.17 1.03 1
41 PHE 4.09 0.57 1
42 GLU -0.02 1.47 1
43 GLU -2.32 -2.39 1
44 LEU 0.47 1.65 1
45 GLU -2.84 0.53 1
46 PHE -4.90 -3.10 1
47 LEU -5.56 -2.19 1
48 SER -3.16 -2.18 1
50 ILE 0.82 0.92 1
51 ASN 3.00 1.12 1
52 VAL -1.85 -2.10 1
54 LEU -0.55 0.32 1
55 THR -0.73 -0.74 1
56 SER -2.31 -1.33 1
57 ILE -0.58 -1.11 1
58 SER 4.07 3.28 1
59 ASN 0.18 -0.76 1
60 LEU 0.08 1.03 1
62 LYS 2.27 1.50 1
63 LEU -3.18 -1.68 1
64 ASN 3.03 3.65 1
65 LYS -0.22 -0.67 1
66 LEU 2.23 2.79 1
67 LYS -2.41 0.57 1
68 LYS -3.13 -0.46 1
69 LEU -4.91 -1.54 1
70 GLU -2.43 -0.31 1
71 LEU -3.67 -2.49 1
72 SER 1.34 1.42 1
73 GLU 3.39 -0.12 1
74 ASN -3.33 0.42 1
75 ARG -1.27 -1.71 1
76 ILE 2.39 1.24 1
77 SER -3.85 -0.96 1
79 ASP 2.27 1.32 1
80 LEU 4.71 1.83 1
81 GLU 4.85 3.22 1
82 VAL 3.20 2.32 1
83 LEU 3.89 2.57 1
84 ALA 2.30 1.78 1
85 GLU 0.19 1.06 1
86 LYS 0.19 0.05 1
89 ASN 0.17 0.17 1
90 LEU 1.03 2.53 1
91 LYS -2.76 0.54 1
92 HIS -5.09 -0.82 1
93 LEU -5.89 -1.89 1
94 ASN -1.69 -1.07 1
95 LEU -3.66 -1.85 1
96 SER 3.67 2.65 1
98 ASN -1.11 -0.18 1
99 LYS 0.72 -1.61 1
100 ILE 0.15 -1.94 1
101 LYS -0.30 1.75 1
102 ASP -4.34 -1.54 1
103 LEU 3.22 1.90 1
104 SER 4.48 3.17 1
105 THR 5.45 4.54 1
106 ILE 0.10 -0.12 1
109 LEU 3.76 0.88 1
110 LYS 3.70 3.25 1
111 LYS 0.19 0.36 1
112 LEU 0.05 -1.58 1
113 GLU 2.73 2.97 1
114 ASN -2.13 -0.88 1
115 LEU 1.15 1.40 1
116 LYS -2.77 -0.10 1
117 SER -2.70 -1.28 1
118 LEU -7.09 -2.16 1
119 ASP -4.07 -0.96 1
120 LEU -2.89 -2.02 1
121 PHE 2.20 1.81 1
122 ASN 3.53 1.96 1
124 GLU 3.50 3.43 1
125 VAL 2.57 1.38 1
126 THR 1.45 0.86 1
127 ASN -0.36 -0.05 1
128 LEU -0.46 0.10 1
129 ASN 2.32 2.00 1
130 ALA 2.89 0.18 1
131 TYR 2.45 3.17 1
132 ARG 5.68 4.30 1
133 GLU 3.55 3.17 1
134 ASN 3.42 3.10 1
135 VAL 8.81 5.74 1
136 PHE 4.12 2.79 1
137 LYS 2.52 2.38 1
138 LEU 0.07 1.88 1
139 LEU -1.80 -2.42 1
141 GLN 1.91 0.15 1
142 VAL 2.37 1.49 1
143 MET -1.28 0.65 1
144 TYR -3.52 -1.24 1
145 LEU -6.50 -2.50 1
146 ASP 3.35 1.77 1
148 TYR -5.97 -0.56 1
149 ASP -2.55 -1.32 1
150 ARG 3.91 2.84 1
151 ASP -0.49 -0.19 1
152 ASN 3.93 2.05 1
153 LYS -0.81 -0.95 1
154 GLU -0.09 0.15 1
155 ALA 1.03 -0.05 1
157 ASP 0.42 0.40 1
158 SER 0.08 0.25 1
159 ASP 0.31 0.29 1
160 VAL 0.75 0.50 1
161 GLU 0.11 0.35 1
163 TYR 0.39 0.17 1
164 VAL 1.24 1.61 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7081_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.09
_LACS_plot.Line_1_terminator_val_y_1 4.62
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.78
_LACS_plot.Line_2_terminator_val_x_2 9.06
_LACS_plot.Line_2_terminator_val_y_2 -2.85
_LACS_plot.Y_axis_chem_shift_offset -0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
49 THR -3.22 -1.22 0
107 GLU 9.06 -1.56 0
10 GLU 1.63 -0.38 1
11 LEU 2.26 -0.69 1
12 ARG 3.41 -1.69 1
13 ASN 2.32 -0.94 1
14 ARG -1.96 1.43 1
15 THR 0.38 -0.52 1
17 SER 3.78 -1.10 1
18 ASP -1.06 1.55 1
19 VAL 1.95 -0.57 1
20 LYS -0.26 0.80 1
21 GLU -5.79 3.68 1
22 LEU -4.87 4.00 1
23 VAL 0.78 -0.88 1
24 LEU -2.05 -0.38 1
25 ASP 0.04 0.30 1
26 ASN 3.61 -1.25 1
28 LYS -2.37 1.42 1
29 SER 0.00 -0.22 1
35 GLU -4.39 3.06 1
37 LEU -2.81 1.50 1
38 THR -4.70 2.78 1
39 ASP 1.49 -0.64 1
40 GLU 0.17 0.86 1
41 PHE 4.09 -3.52 1
42 GLU -0.02 1.49 1
43 GLU -2.32 -0.07 1
44 LEU 0.47 1.18 1
45 GLU -2.84 3.37 1
46 PHE -4.90 1.80 1
47 LEU -5.56 3.37 1
48 SER -3.16 0.98 1
50 ILE 0.82 0.10 1
51 ASN 3.00 -1.88 1
52 VAL -1.85 -0.25 1
54 LEU -0.55 0.87 1
55 THR -0.73 -0.01 1
56 SER -2.31 0.98 1
57 ILE -0.58 -0.53 1
58 SER 4.07 -0.79 1
59 ASN 0.18 -0.94 1
60 LEU 0.08 0.95 1
62 LYS 2.27 -0.77 1
63 LEU -3.18 1.50 1
64 ASN 3.03 0.62 1
65 LYS -0.22 -0.45 1
66 LEU 2.23 0.56 1
67 LYS -2.41 2.98 1
68 LYS -3.13 2.67 1
69 LEU -4.91 3.37 1
70 GLU -2.43 2.12 1
71 LEU -3.67 1.18 1
72 SER 1.34 0.08 1
73 GLU 3.39 -3.51 1
74 ASN -3.33 3.75 1
75 ARG -1.27 -0.44 1
76 ILE 2.39 -1.15 1
77 SER -3.85 2.89 1
79 ASP 2.27 -0.95 1
80 LEU 4.71 -2.88 1
81 GLU 4.85 -1.63 1
82 VAL 3.20 -0.88 1
83 LEU 3.89 -1.32 1
84 ALA 2.30 -0.52 1
85 GLU 0.19 0.87 1
86 LYS 0.19 -0.14 1
89 ASN 0.17 0.00 1
90 LEU 1.03 1.50 1
91 LYS -2.76 3.30 1
92 HIS -5.09 4.27 1
93 LEU -5.89 4.00 1
94 ASN -1.69 0.62 1
95 LEU -3.66 1.81 1
96 SER 3.67 -1.02 1
98 ASN -1.11 0.93 1
99 LYS 0.72 -2.33 1
100 ILE 0.15 -2.09 1
101 LYS -0.30 2.05 1
102 ASP -4.34 2.80 1
103 LEU 3.22 -1.32 1
104 SER 4.48 -1.31 1
105 THR 5.45 -0.91 1
106 ILE 0.10 -0.22 1
109 LEU 3.76 -2.88 1
110 LYS 3.70 -0.45 1
111 LYS 0.19 0.17 1
112 LEU 0.05 -1.63 1
113 GLU 2.73 0.24 1
114 ASN -2.13 1.25 1
115 LEU 1.15 0.25 1
116 LYS -2.77 2.67 1
117 SER -2.70 1.42 1
118 LEU -7.09 4.93 1
119 ASP -4.07 3.11 1
120 LEU -2.89 0.87 1
121 PHE 2.20 -0.39 1
122 ASN 3.53 -1.57 1
124 GLU 3.50 -0.07 1
125 VAL 2.57 -1.19 1
126 THR 1.45 -0.59 1
127 ASN -0.36 0.31 1
128 LEU -0.46 0.56 1
129 ASN 2.32 -0.32 1
130 ALA 2.89 -2.71 1
131 TYR 2.45 0.72 1
132 ARG 5.68 -1.38 1
133 GLU 3.55 -0.38 1
134 ASN 3.42 -0.32 1
135 VAL 8.81 -3.07 1
136 PHE 4.12 -1.33 1
137 LYS 2.52 -0.14 1
138 LEU 0.07 1.81 1
139 LEU -1.80 -0.62 1
141 GLN 1.91 -1.76 1
142 VAL 2.37 -0.88 1
143 MET -1.28 1.93 1
144 TYR -3.52 2.28 1
145 LEU -6.50 4.00 1
146 ASP 3.35 -1.58 1
148 TYR -5.97 5.41 1
149 ASP -2.55 1.23 1
150 ARG 3.91 -1.07 1
151 ASP -0.49 0.30 1
152 ASN 3.93 -1.88 1
153 LYS -0.81 -0.14 1
154 GLU -0.09 0.24 1
155 ALA 1.03 -1.08 1
157 ASP 0.42 -0.02 1
158 SER 0.08 0.17 1
159 ASP 0.31 -0.02 1
160 VAL 0.75 -0.25 1
161 GLU 0.11 0.24 1
163 TYR 0.39 -0.22 1
164 VAL 1.24 0.37 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7081_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.09
_LACS_plot.Line_1_terminator_val_y_1 0.93
_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 0.27
_LACS_plot.Line_2_terminator_val_x_2 9.06
_LACS_plot.Line_2_terminator_val_y_2 -0.97
_LACS_plot.Y_axis_chem_shift_offset -0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
126 THR 1.45 -1.94 0
10 GLU 1.63 -0.23 1
11 LEU 2.26 -0.34 1
12 ARG 3.41 -0.38 1
13 ASN 2.32 -0.33 1
14 ARG -1.96 0.23 1
15 THR 0.38 0.12 1
17 SER 3.78 -0.37 1
18 ASP -1.06 0.07 1
19 VAL 1.95 -0.28 1
20 LYS -0.26 0.57 1
21 GLU -5.79 1.12 1
22 LEU -4.87 0.28 1
23 VAL 0.78 0.06 1
25 ASP 0.04 -0.14 1
26 ASN 3.61 -0.22 1
28 LYS -2.37 0.33 1
29 SER 0.00 -0.04 1
35 GLU -4.39 0.31 1
37 LEU -2.81 -0.07 1
38 THR -4.70 0.49 1
39 ASP 1.49 0.00 1
40 GLU 0.17 -0.13 1
41 PHE 4.09 -0.28 1
42 GLU -0.02 -0.14 1
43 GLU -2.32 0.21 1
44 LEU 0.47 -0.23 1
45 GLU -2.84 0.78 1
46 PHE -4.90 1.20 1
47 LEU -5.56 0.64 1
48 SER -3.16 0.70 1
49 THR -3.22 -0.07 1
50 ILE 0.82 0.09 1
51 ASN 3.00 0.15 1
52 VAL -1.85 1.10 1
54 LEU -0.55 -0.26 1
55 THR -0.73 -0.02 1
56 SER -2.31 0.41 1
57 ILE -0.58 0.58 1
58 SER 4.07 -0.41 1
59 ASN 0.18 0.03 1
60 LEU 0.08 -0.69 1
62 LYS 2.27 -0.10 1
63 LEU -3.18 0.37 1
64 ASN 3.03 -0.42 1
65 LYS -0.22 0.09 1
66 LEU 2.23 -0.19 1
67 LYS -2.41 0.52 1
68 LYS -3.13 1.15 1
69 LEU -4.91 1.07 1
70 GLU -2.43 0.41 1
71 LEU -3.67 0.13 1
72 SER 1.34 0.11 1
73 GLU 3.39 -0.35 1
74 ASN -3.33 0.39 1
75 ARG -1.27 0.31 1
76 ILE 2.39 -0.48 1
77 SER -3.85 0.51 1
79 ASP 2.27 0.02 1
80 LEU 4.71 -0.35 1
81 GLU 4.85 -0.33 1
82 VAL 3.20 -0.17 1
83 LEU 3.89 -0.43 1
84 ALA 2.30 -0.42 1
85 GLU 0.19 -0.16 1
86 LYS 0.19 0.01 1
89 ASN 0.17 0.17 1
90 LEU 1.03 -0.36 1
91 LYS -2.76 0.94 1
92 HIS -5.09 0.94 1
93 LEU -5.89 0.94 1
94 ASN -1.69 0.67 1
95 LEU -3.66 -0.12 1
96 SER 3.67 -0.14 1
98 ASN -1.11 0.65 1
99 LYS 0.72 0.36 1
100 ILE 0.15 0.02 1
101 LYS -0.30 -0.11 1
102 ASP -4.34 0.23 1
103 LEU 3.22 -0.37 1
104 SER 4.48 -0.27 1
105 THR 5.45 -0.33 1
106 ILE 0.10 0.15 1
107 GLU 9.06 -0.68 1
109 LEU 3.76 -0.36 1
110 LYS 3.70 -0.40 1
111 LYS 0.19 -0.15 1
112 LEU 0.05 0.26 1
113 GLU 2.73 -0.49 1
114 ASN -2.13 0.11 1
115 LEU 1.15 -0.21 1
116 LYS -2.77 0.52 1
117 SER -2.70 1.34 1
118 LEU -7.09 1.06 1
119 ASP -4.07 1.02 1
120 LEU -2.89 -0.08 1
121 PHE 2.20 -0.41 1
122 ASN 3.53 -0.49 1
124 GLU 3.50 -0.13 1
125 VAL 2.57 -0.30 1
127 ASN -0.36 -0.05 1
128 LEU -0.46 -0.15 1
129 ASN 2.32 -0.32 1
130 ALA 2.89 -0.14 1
131 TYR 2.45 -0.49 1
132 ARG 5.68 -1.59 1
133 GLU 3.55 -0.37 1
134 ASN 3.42 -0.28 1
135 VAL 8.81 -0.78 1
136 PHE 4.12 -0.35 1
137 LYS 2.52 -0.26 1
138 LEU 0.07 -0.26 1
139 LEU -1.80 0.21 1
141 GLN 1.91 -0.05 1
142 VAL 2.37 -0.28 1
143 MET -1.28 -0.12 1
144 TYR -3.52 0.27 1
145 LEU -6.50 1.23 1
146 ASP 3.35 -0.03 1
148 TYR -5.97 0.87 1
149 ASP -2.55 0.91 1
150 ARG 3.91 -0.81 1
151 ASP -0.49 0.16 1
152 ASN 3.93 -0.39 1
153 LYS -0.81 0.39 1
154 GLU -0.09 -0.52 1
155 ALA 1.03 -0.72 1
157 ASP 0.42 -0.25 1
158 SER 0.08 -0.19 1
159 ASP 0.31 -0.03 1
160 VAL 0.75 -0.12 1
161 GLU 0.11 -0.14 1
163 TYR 0.39 0.00 1
164 VAL 1.24 -0.14 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7081_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.09
_LACS_plot.Line_1_terminator_val_y_1 -2.41
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.09
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.98
_LACS_plot.Line_2_terminator_val_x_2 8.80
_LACS_plot.Line_2_terminator_val_y_2 1.80
_LACS_plot.Y_axis_chem_shift_offset 0.46
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 LEU -5.56 -154.64 0
10 GLU 1.63 2.16 1
11 LEU 2.26 0.75 1
12 ARG 3.41 -0.25 1
13 ASN 2.32 -0.82 1
14 ARG -1.96 -1.26 1
17 SER 3.78 -1.31 1
18 ASP -1.06 0.18 1
19 VAL 1.95 -1.54 1
20 LYS -0.26 0.76 1
21 GLU -5.79 -2.72 1
22 LEU -4.87 -4.38 1
23 VAL 0.78 -1.30 1
24 LEU -2.05 -2.76 1
25 ASP 0.04 0.13 1
28 LYS -2.37 -0.18 1
35 GLU -4.39 -1.88 1
37 LEU -2.81 -2.07 1
38 THR -4.70 -0.92 1
39 ASP 1.49 0.76 1
40 GLU 0.17 1.85 1
41 PHE 4.09 0.88 1
42 GLU -0.02 0.29 1
43 GLU -2.32 -0.76 1
44 LEU 0.47 -1.74 1
45 GLU -2.84 0.84 1
46 PHE -4.90 -4.12 1
48 SER -3.16 -0.48 1
49 THR -3.22 -0.40 1
54 LEU -0.55 0.00 1
57 ILE -0.58 -0.64 1
58 SER 4.07 -0.78 1
59 ASN 0.18 -0.23 1
63 LEU -3.18 0.31 1
64 ASN 3.03 1.10 1
65 LYS -0.22 -0.30 1
66 LEU 2.23 -1.03 1
67 LYS -2.41 0.48 1
68 LYS -3.13 -4.11 1
69 LEU -4.91 -4.19 1
70 GLU -2.43 -2.55 1
71 LEU -3.67 0.34 1
72 SER 1.34 -1.91 1
73 GLU 3.39 -0.91 1
74 ASN -3.33 -1.76 1
75 ARG -1.27 -1.05 1
76 ILE 2.39 0.16 1
77 SER -3.85 -0.74 1
79 ASP 2.27 0.27 1
80 LEU 4.71 1.38 1
81 GLU 4.85 1.14 1
82 VAL 3.20 1.04 1
83 LEU 3.89 -0.06 1
84 ALA 2.30 0.18 1
85 GLU 0.19 1.39 1
86 LYS 0.19 -0.19 1
89 ASN 0.17 -1.15 1
90 LEU 1.03 -2.13 1
91 LYS -2.76 0.48 1
92 HIS -5.09 -1.28 1
93 LEU -5.89 -4.47 1
94 ASN -1.69 -0.64 1
95 LEU -3.66 -1.58 1
96 SER 3.67 0.82 1
98 ASN -1.11 -0.36 1
99 LYS 0.72 -2.12 1
100 ILE 0.15 -1.14 1
101 LYS -0.30 -2.11 1
102 ASP -4.34 -1.37 1
103 LEU 3.22 1.89 1
104 SER 4.48 2.84 1
105 THR 5.45 -0.05 1
106 ILE 0.10 -0.87 1
109 LEU 3.76 0.49 1
110 LYS 3.70 0.33 1
111 LYS 0.19 -0.63 1
112 LEU 0.05 -0.47 1
113 GLU 2.73 0.36 1
114 ASN -2.13 -1.22 1
115 LEU 1.15 -3.60 1
116 LYS -2.77 1.17 1
117 SER -2.70 -3.55 1
118 LEU -7.09 -4.31 1
119 ASP -4.07 -1.37 1
120 LEU -2.89 -2.75 1
121 PHE 2.20 0.40 1
122 ASN 3.53 0.38 1
124 GLU 3.50 1.55 1
125 VAL 2.57 -2.80 1
126 THR 1.45 0.34 1
127 ASN -0.36 0.64 1
128 LEU -0.46 0.09 1
129 ASN 2.32 0.46 1
130 ALA 2.89 -1.88 1
131 TYR 2.45 -0.43 1
132 ARG 5.68 1.26 1
133 GLU 3.55 3.25 1
134 ASN 3.42 3.23 1
135 VAL 8.81 0.84 1
136 PHE 4.12 2.80 1
137 LYS 2.52 1.15 1
141 GLN 1.91 -0.05 1
142 VAL 2.37 -1.07 1
143 MET -1.28 -0.67 1
144 TYR -3.52 -2.71 1
145 LEU -6.50 -0.88 1
146 ASP 3.35 0.23 1
148 TYR -5.97 1.04 1
149 ASP -2.55 2.17 1
150 ARG 3.91 1.14 1
151 ASP -0.49 -1.26 1
152 ASN 3.93 -1.31 1
153 LYS -0.81 0.26 1
154 GLU -0.09 0.07 1
157 ASP 0.42 0.08 1
158 SER 0.08 -0.36 1
159 ASP 0.31 0.08 1
160 VAL 0.75 0.04 1
161 GLU 0.11 0.16 1
163 TYR 0.39 -1.05 1
stop_
save_