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lammps/tools/ch2lmp/example-cmap/1gb1.psf

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PSF EXT CMAP CHEQ XPLOR
3 !NTITLE
* GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V1.8 ON OCT, 05. 2016.
* READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE
* DATE: 10/ 5/16 11:23:33 CREATED BY USER: apache
855 !NATOM
1 PROA 1 MET N NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
2 PROA 1 MET HT1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
3 PROA 1 MET HT2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
4 PROA 1 MET HT3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
5 PROA 1 MET CA CT1 0.210000 12.0110 0 0.00000 -0.301140E-02
6 PROA 1 MET HA HB1 0.100000 1.00800 0 0.00000 -0.301140E-02
7 PROA 1 MET CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
8 PROA 1 MET HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
9 PROA 1 MET HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
10 PROA 1 MET CG CT2 -0.140000 12.0110 0 0.00000 -0.301140E-02
11 PROA 1 MET HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
12 PROA 1 MET HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
13 PROA 1 MET SD S -0.900000E-01 32.0600 0 0.00000 -0.301140E-02
14 PROA 1 MET CE CT3 -0.220000 12.0110 0 0.00000 -0.301140E-02
15 PROA 1 MET HE1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
16 PROA 1 MET HE2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
17 PROA 1 MET HE3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
18 PROA 1 MET C C 0.510000 12.0110 0 0.00000 -0.301140E-02
19 PROA 1 MET O O -0.510000 15.9990 0 0.00000 -0.301140E-02
20 PROA 2 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
21 PROA 2 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
22 PROA 2 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
23 PROA 2 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
24 PROA 2 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
25 PROA 2 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
26 PROA 2 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
27 PROA 2 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
28 PROA 2 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
29 PROA 2 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
30 PROA 2 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
31 PROA 2 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
32 PROA 2 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
33 PROA 2 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
34 PROA 3 TYR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
35 PROA 3 TYR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
36 PROA 3 TYR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
37 PROA 3 TYR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
38 PROA 3 TYR CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
39 PROA 3 TYR HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
40 PROA 3 TYR HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
41 PROA 3 TYR CG CA 0.00000 12.0110 0 0.00000 -0.301140E-02
42 PROA 3 TYR CD1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
43 PROA 3 TYR HD1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
44 PROA 3 TYR CE1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
45 PROA 3 TYR HE1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
46 PROA 3 TYR CZ CA 0.110000 12.0110 0 0.00000 -0.301140E-02
47 PROA 3 TYR OH OH1 -0.540000 15.9990 0 0.00000 -0.301140E-02
48 PROA 3 TYR HH H 0.430000 1.00800 0 0.00000 -0.301140E-02
49 PROA 3 TYR CD2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
50 PROA 3 TYR HD2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
51 PROA 3 TYR CE2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
52 PROA 3 TYR HE2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
53 PROA 3 TYR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
54 PROA 3 TYR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
55 PROA 4 LYS N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
56 PROA 4 LYS HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
57 PROA 4 LYS CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
58 PROA 4 LYS HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
59 PROA 4 LYS CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
60 PROA 4 LYS HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
61 PROA 4 LYS HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
62 PROA 4 LYS CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
63 PROA 4 LYS HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
64 PROA 4 LYS HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
65 PROA 4 LYS CD CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
66 PROA 4 LYS HD1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
67 PROA 4 LYS HD2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
68 PROA 4 LYS CE CT2 0.210000 12.0110 0 0.00000 -0.301140E-02
69 PROA 4 LYS HE1 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
70 PROA 4 LYS HE2 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
71 PROA 4 LYS NZ NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
72 PROA 4 LYS HZ1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
73 PROA 4 LYS HZ2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
74 PROA 4 LYS HZ3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
75 PROA 4 LYS C C 0.510000 12.0110 0 0.00000 -0.301140E-02
76 PROA 4 LYS O O -0.510000 15.9990 0 0.00000 -0.301140E-02
77 PROA 5 LEU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
78 PROA 5 LEU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
79 PROA 5 LEU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
80 PROA 5 LEU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
81 PROA 5 LEU CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
82 PROA 5 LEU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
83 PROA 5 LEU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
84 PROA 5 LEU CG CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
85 PROA 5 LEU HG HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
86 PROA 5 LEU CD1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
87 PROA 5 LEU HD11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
88 PROA 5 LEU HD12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
89 PROA 5 LEU HD13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
90 PROA 5 LEU CD2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
91 PROA 5 LEU HD21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
92 PROA 5 LEU HD22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
93 PROA 5 LEU HD23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
94 PROA 5 LEU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
95 PROA 5 LEU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
96 PROA 6 ILE N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
97 PROA 6 ILE HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
98 PROA 6 ILE CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
99 PROA 6 ILE HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
100 PROA 6 ILE CB CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
101 PROA 6 ILE HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
102 PROA 6 ILE CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
103 PROA 6 ILE HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
104 PROA 6 ILE HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
105 PROA 6 ILE HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
106 PROA 6 ILE CG1 CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
107 PROA 6 ILE HG11 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
108 PROA 6 ILE HG12 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
109 PROA 6 ILE CD CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
110 PROA 6 ILE HD1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
111 PROA 6 ILE HD2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
112 PROA 6 ILE HD3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
113 PROA 6 ILE C C 0.510000 12.0110 0 0.00000 -0.301140E-02
114 PROA 6 ILE O O -0.510000 15.9990 0 0.00000 -0.301140E-02
115 PROA 7 LEU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
116 PROA 7 LEU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
117 PROA 7 LEU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
118 PROA 7 LEU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
119 PROA 7 LEU CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
120 PROA 7 LEU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
121 PROA 7 LEU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
122 PROA 7 LEU CG CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
123 PROA 7 LEU HG HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
124 PROA 7 LEU CD1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
125 PROA 7 LEU HD11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
126 PROA 7 LEU HD12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
127 PROA 7 LEU HD13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
128 PROA 7 LEU CD2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
129 PROA 7 LEU HD21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
130 PROA 7 LEU HD22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
131 PROA 7 LEU HD23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
132 PROA 7 LEU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
133 PROA 7 LEU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
134 PROA 8 ASN N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
135 PROA 8 ASN HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
136 PROA 8 ASN CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
137 PROA 8 ASN HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
138 PROA 8 ASN CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
139 PROA 8 ASN HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
140 PROA 8 ASN HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
141 PROA 8 ASN CG CC 0.550000 12.0110 0 0.00000 -0.301140E-02
142 PROA 8 ASN OD1 O -0.550000 15.9990 0 0.00000 -0.301140E-02
143 PROA 8 ASN ND2 NH2 -0.620000 14.0070 0 0.00000 -0.301140E-02
144 PROA 8 ASN HD21 H 0.320000 1.00800 0 0.00000 -0.301140E-02
145 PROA 8 ASN HD22 H 0.300000 1.00800 0 0.00000 -0.301140E-02
146 PROA 8 ASN C C 0.510000 12.0110 0 0.00000 -0.301140E-02
147 PROA 8 ASN O O -0.510000 15.9990 0 0.00000 -0.301140E-02
148 PROA 9 GLY N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
149 PROA 9 GLY HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
150 PROA 9 GLY CA CT2 -0.200000E-01 12.0110 0 0.00000 -0.301140E-02
151 PROA 9 GLY HA1 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
152 PROA 9 GLY HA2 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
153 PROA 9 GLY C C 0.510000 12.0110 0 0.00000 -0.301140E-02
154 PROA 9 GLY O O -0.510000 15.9990 0 0.00000 -0.301140E-02
155 PROA 10 LYS N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
156 PROA 10 LYS HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
157 PROA 10 LYS CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
158 PROA 10 LYS HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
159 PROA 10 LYS CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
160 PROA 10 LYS HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
161 PROA 10 LYS HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
162 PROA 10 LYS CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
163 PROA 10 LYS HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
164 PROA 10 LYS HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
165 PROA 10 LYS CD CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
166 PROA 10 LYS HD1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
167 PROA 10 LYS HD2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
168 PROA 10 LYS CE CT2 0.210000 12.0110 0 0.00000 -0.301140E-02
169 PROA 10 LYS HE1 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
170 PROA 10 LYS HE2 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
171 PROA 10 LYS NZ NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
172 PROA 10 LYS HZ1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
173 PROA 10 LYS HZ2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
174 PROA 10 LYS HZ3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
175 PROA 10 LYS C C 0.510000 12.0110 0 0.00000 -0.301140E-02
176 PROA 10 LYS O O -0.510000 15.9990 0 0.00000 -0.301140E-02
177 PROA 11 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
178 PROA 11 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
179 PROA 11 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
180 PROA 11 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
181 PROA 11 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
182 PROA 11 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
183 PROA 11 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
184 PROA 11 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
185 PROA 11 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
186 PROA 11 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
187 PROA 11 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
188 PROA 11 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
189 PROA 11 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
190 PROA 11 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
191 PROA 12 LEU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
192 PROA 12 LEU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
193 PROA 12 LEU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
194 PROA 12 LEU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
195 PROA 12 LEU CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
196 PROA 12 LEU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
197 PROA 12 LEU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
198 PROA 12 LEU CG CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
199 PROA 12 LEU HG HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
200 PROA 12 LEU CD1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
201 PROA 12 LEU HD11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
202 PROA 12 LEU HD12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
203 PROA 12 LEU HD13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
204 PROA 12 LEU CD2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
205 PROA 12 LEU HD21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
206 PROA 12 LEU HD22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
207 PROA 12 LEU HD23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
208 PROA 12 LEU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
209 PROA 12 LEU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
210 PROA 13 LYS N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
211 PROA 13 LYS HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
212 PROA 13 LYS CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
213 PROA 13 LYS HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
214 PROA 13 LYS CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
215 PROA 13 LYS HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
216 PROA 13 LYS HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
217 PROA 13 LYS CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
218 PROA 13 LYS HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
219 PROA 13 LYS HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
220 PROA 13 LYS CD CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
221 PROA 13 LYS HD1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
222 PROA 13 LYS HD2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
223 PROA 13 LYS CE CT2 0.210000 12.0110 0 0.00000 -0.301140E-02
224 PROA 13 LYS HE1 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
225 PROA 13 LYS HE2 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
226 PROA 13 LYS NZ NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
227 PROA 13 LYS HZ1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
228 PROA 13 LYS HZ2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
229 PROA 13 LYS HZ3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
230 PROA 13 LYS C C 0.510000 12.0110 0 0.00000 -0.301140E-02
231 PROA 13 LYS O O -0.510000 15.9990 0 0.00000 -0.301140E-02
232 PROA 14 GLY N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
233 PROA 14 GLY HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
234 PROA 14 GLY CA CT2 -0.200000E-01 12.0110 0 0.00000 -0.301140E-02
235 PROA 14 GLY HA1 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
236 PROA 14 GLY HA2 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
237 PROA 14 GLY C C 0.510000 12.0110 0 0.00000 -0.301140E-02
238 PROA 14 GLY O O -0.510000 15.9990 0 0.00000 -0.301140E-02
239 PROA 15 GLU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
240 PROA 15 GLU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
241 PROA 15 GLU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
242 PROA 15 GLU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
243 PROA 15 GLU CB CT2A -0.180000 12.0110 0 0.00000 -0.301140E-02
244 PROA 15 GLU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
245 PROA 15 GLU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
246 PROA 15 GLU CG CT2 -0.280000 12.0110 0 0.00000 -0.301140E-02
247 PROA 15 GLU HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
248 PROA 15 GLU HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
249 PROA 15 GLU CD CC 0.620000 12.0110 0 0.00000 -0.301140E-02
250 PROA 15 GLU OE1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
251 PROA 15 GLU OE2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
252 PROA 15 GLU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
253 PROA 15 GLU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
254 PROA 16 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
255 PROA 16 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
256 PROA 16 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
257 PROA 16 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
258 PROA 16 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
259 PROA 16 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
260 PROA 16 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
261 PROA 16 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
262 PROA 16 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
263 PROA 16 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
264 PROA 16 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
265 PROA 16 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
266 PROA 16 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
267 PROA 16 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
268 PROA 17 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
269 PROA 17 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
270 PROA 17 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
271 PROA 17 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
272 PROA 17 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
273 PROA 17 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
274 PROA 17 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
275 PROA 17 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
276 PROA 17 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
277 PROA 17 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
278 PROA 17 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
279 PROA 17 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
280 PROA 17 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
281 PROA 17 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
282 PROA 18 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
283 PROA 18 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
284 PROA 18 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
285 PROA 18 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
286 PROA 18 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
287 PROA 18 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
288 PROA 18 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
289 PROA 18 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
290 PROA 18 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
291 PROA 18 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
292 PROA 18 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
293 PROA 18 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
294 PROA 18 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
295 PROA 18 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
296 PROA 19 GLU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
297 PROA 19 GLU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
298 PROA 19 GLU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
299 PROA 19 GLU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
300 PROA 19 GLU CB CT2A -0.180000 12.0110 0 0.00000 -0.301140E-02
301 PROA 19 GLU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
302 PROA 19 GLU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
303 PROA 19 GLU CG CT2 -0.280000 12.0110 0 0.00000 -0.301140E-02
304 PROA 19 GLU HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
305 PROA 19 GLU HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
306 PROA 19 GLU CD CC 0.620000 12.0110 0 0.00000 -0.301140E-02
307 PROA 19 GLU OE1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
308 PROA 19 GLU OE2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
309 PROA 19 GLU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
310 PROA 19 GLU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
311 PROA 20 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
312 PROA 20 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
313 PROA 20 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
314 PROA 20 ALA HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
315 PROA 20 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
316 PROA 20 ALA HB1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
317 PROA 20 ALA HB2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
318 PROA 20 ALA HB3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
319 PROA 20 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02
320 PROA 20 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02
321 PROA 21 VAL N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
322 PROA 21 VAL HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
323 PROA 21 VAL CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
324 PROA 21 VAL HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
325 PROA 21 VAL CB CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
326 PROA 21 VAL HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
327 PROA 21 VAL CG1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
328 PROA 21 VAL HG11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
329 PROA 21 VAL HG12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
330 PROA 21 VAL HG13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
331 PROA 21 VAL CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
332 PROA 21 VAL HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
333 PROA 21 VAL HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
334 PROA 21 VAL HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
335 PROA 21 VAL C C 0.510000 12.0110 0 0.00000 -0.301140E-02
336 PROA 21 VAL O O -0.510000 15.9990 0 0.00000 -0.301140E-02
337 PROA 22 ASP N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
338 PROA 22 ASP HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
339 PROA 22 ASP CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
340 PROA 22 ASP HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
341 PROA 22 ASP CB CT2A -0.280000 12.0110 0 0.00000 -0.301140E-02
342 PROA 22 ASP HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
343 PROA 22 ASP HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
344 PROA 22 ASP CG CC 0.620000 12.0110 0 0.00000 -0.301140E-02
345 PROA 22 ASP OD1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
346 PROA 22 ASP OD2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
347 PROA 22 ASP C C 0.510000 12.0110 0 0.00000 -0.301140E-02
348 PROA 22 ASP O O -0.510000 15.9990 0 0.00000 -0.301140E-02
349 PROA 23 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
350 PROA 23 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
351 PROA 23 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
352 PROA 23 ALA HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
353 PROA 23 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
354 PROA 23 ALA HB1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
355 PROA 23 ALA HB2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
356 PROA 23 ALA HB3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
357 PROA 23 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02
358 PROA 23 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02
359 PROA 24 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
360 PROA 24 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
361 PROA 24 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
362 PROA 24 ALA HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
363 PROA 24 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
364 PROA 24 ALA HB1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
365 PROA 24 ALA HB2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
366 PROA 24 ALA HB3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
367 PROA 24 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02
368 PROA 24 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02
369 PROA 25 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
370 PROA 25 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
371 PROA 25 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
372 PROA 25 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
373 PROA 25 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
374 PROA 25 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
375 PROA 25 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
376 PROA 25 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
377 PROA 25 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
378 PROA 25 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
379 PROA 25 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
380 PROA 25 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
381 PROA 25 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
382 PROA 25 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
383 PROA 26 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
384 PROA 26 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
385 PROA 26 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
386 PROA 26 ALA HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
387 PROA 26 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
388 PROA 26 ALA HB1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
389 PROA 26 ALA HB2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
390 PROA 26 ALA HB3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
391 PROA 26 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02
392 PROA 26 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02
393 PROA 27 GLU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
394 PROA 27 GLU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
395 PROA 27 GLU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
396 PROA 27 GLU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
397 PROA 27 GLU CB CT2A -0.180000 12.0110 0 0.00000 -0.301140E-02
398 PROA 27 GLU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
399 PROA 27 GLU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
400 PROA 27 GLU CG CT2 -0.280000 12.0110 0 0.00000 -0.301140E-02
401 PROA 27 GLU HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
402 PROA 27 GLU HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
403 PROA 27 GLU CD CC 0.620000 12.0110 0 0.00000 -0.301140E-02
404 PROA 27 GLU OE1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
405 PROA 27 GLU OE2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
406 PROA 27 GLU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
407 PROA 27 GLU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
408 PROA 28 LYS N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
409 PROA 28 LYS HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
410 PROA 28 LYS CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
411 PROA 28 LYS HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
412 PROA 28 LYS CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
413 PROA 28 LYS HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
414 PROA 28 LYS HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
415 PROA 28 LYS CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
416 PROA 28 LYS HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
417 PROA 28 LYS HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
418 PROA 28 LYS CD CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
419 PROA 28 LYS HD1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
420 PROA 28 LYS HD2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
421 PROA 28 LYS CE CT2 0.210000 12.0110 0 0.00000 -0.301140E-02
422 PROA 28 LYS HE1 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
423 PROA 28 LYS HE2 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
424 PROA 28 LYS NZ NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
425 PROA 28 LYS HZ1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
426 PROA 28 LYS HZ2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
427 PROA 28 LYS HZ3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
428 PROA 28 LYS C C 0.510000 12.0110 0 0.00000 -0.301140E-02
429 PROA 28 LYS O O -0.510000 15.9990 0 0.00000 -0.301140E-02
430 PROA 29 VAL N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
431 PROA 29 VAL HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
432 PROA 29 VAL CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
433 PROA 29 VAL HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
434 PROA 29 VAL CB CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
435 PROA 29 VAL HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
436 PROA 29 VAL CG1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
437 PROA 29 VAL HG11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
438 PROA 29 VAL HG12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
439 PROA 29 VAL HG13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
440 PROA 29 VAL CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
441 PROA 29 VAL HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
442 PROA 29 VAL HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
443 PROA 29 VAL HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
444 PROA 29 VAL C C 0.510000 12.0110 0 0.00000 -0.301140E-02
445 PROA 29 VAL O O -0.510000 15.9990 0 0.00000 -0.301140E-02
446 PROA 30 PHE N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
447 PROA 30 PHE HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
448 PROA 30 PHE CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
449 PROA 30 PHE HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
450 PROA 30 PHE CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
451 PROA 30 PHE HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
452 PROA 30 PHE HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
453 PROA 30 PHE CG CA 0.00000 12.0110 0 0.00000 -0.301140E-02
454 PROA 30 PHE CD1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
455 PROA 30 PHE HD1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
456 PROA 30 PHE CE1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
457 PROA 30 PHE HE1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
458 PROA 30 PHE CZ CA -0.115000 12.0110 0 0.00000 -0.301140E-02
459 PROA 30 PHE HZ HP 0.115000 1.00800 0 0.00000 -0.301140E-02
460 PROA 30 PHE CD2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
461 PROA 30 PHE HD2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
462 PROA 30 PHE CE2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
463 PROA 30 PHE HE2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
464 PROA 30 PHE C C 0.510000 12.0110 0 0.00000 -0.301140E-02
465 PROA 30 PHE O O -0.510000 15.9990 0 0.00000 -0.301140E-02
466 PROA 31 LYS N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
467 PROA 31 LYS HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
468 PROA 31 LYS CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
469 PROA 31 LYS HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
470 PROA 31 LYS CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
471 PROA 31 LYS HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
472 PROA 31 LYS HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
473 PROA 31 LYS CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
474 PROA 31 LYS HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
475 PROA 31 LYS HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
476 PROA 31 LYS CD CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
477 PROA 31 LYS HD1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
478 PROA 31 LYS HD2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
479 PROA 31 LYS CE CT2 0.210000 12.0110 0 0.00000 -0.301140E-02
480 PROA 31 LYS HE1 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
481 PROA 31 LYS HE2 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
482 PROA 31 LYS NZ NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
483 PROA 31 LYS HZ1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
484 PROA 31 LYS HZ2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
485 PROA 31 LYS HZ3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
486 PROA 31 LYS C C 0.510000 12.0110 0 0.00000 -0.301140E-02
487 PROA 31 LYS O O -0.510000 15.9990 0 0.00000 -0.301140E-02
488 PROA 32 GLN N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
489 PROA 32 GLN HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
490 PROA 32 GLN CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
491 PROA 32 GLN HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
492 PROA 32 GLN CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
493 PROA 32 GLN HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
494 PROA 32 GLN HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
495 PROA 32 GLN CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
496 PROA 32 GLN HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
497 PROA 32 GLN HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
498 PROA 32 GLN CD CC 0.550000 12.0110 0 0.00000 -0.301140E-02
499 PROA 32 GLN OE1 O -0.550000 15.9990 0 0.00000 -0.301140E-02
500 PROA 32 GLN NE2 NH2 -0.620000 14.0070 0 0.00000 -0.301140E-02
501 PROA 32 GLN HE21 H 0.320000 1.00800 0 0.00000 -0.301140E-02
502 PROA 32 GLN HE22 H 0.300000 1.00800 0 0.00000 -0.301140E-02
503 PROA 32 GLN C C 0.510000 12.0110 0 0.00000 -0.301140E-02
504 PROA 32 GLN O O -0.510000 15.9990 0 0.00000 -0.301140E-02
505 PROA 33 TYR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
506 PROA 33 TYR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
507 PROA 33 TYR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
508 PROA 33 TYR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
509 PROA 33 TYR CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
510 PROA 33 TYR HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
511 PROA 33 TYR HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
512 PROA 33 TYR CG CA 0.00000 12.0110 0 0.00000 -0.301140E-02
513 PROA 33 TYR CD1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
514 PROA 33 TYR HD1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
515 PROA 33 TYR CE1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
516 PROA 33 TYR HE1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
517 PROA 33 TYR CZ CA 0.110000 12.0110 0 0.00000 -0.301140E-02
518 PROA 33 TYR OH OH1 -0.540000 15.9990 0 0.00000 -0.301140E-02
519 PROA 33 TYR HH H 0.430000 1.00800 0 0.00000 -0.301140E-02
520 PROA 33 TYR CD2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
521 PROA 33 TYR HD2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
522 PROA 33 TYR CE2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
523 PROA 33 TYR HE2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
524 PROA 33 TYR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
525 PROA 33 TYR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
526 PROA 34 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
527 PROA 34 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
528 PROA 34 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
529 PROA 34 ALA HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
530 PROA 34 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
531 PROA 34 ALA HB1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
532 PROA 34 ALA HB2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
533 PROA 34 ALA HB3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
534 PROA 34 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02
535 PROA 34 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02
536 PROA 35 ASN N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
537 PROA 35 ASN HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
538 PROA 35 ASN CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
539 PROA 35 ASN HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
540 PROA 35 ASN CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
541 PROA 35 ASN HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
542 PROA 35 ASN HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
543 PROA 35 ASN CG CC 0.550000 12.0110 0 0.00000 -0.301140E-02
544 PROA 35 ASN OD1 O -0.550000 15.9990 0 0.00000 -0.301140E-02
545 PROA 35 ASN ND2 NH2 -0.620000 14.0070 0 0.00000 -0.301140E-02
546 PROA 35 ASN HD21 H 0.320000 1.00800 0 0.00000 -0.301140E-02
547 PROA 35 ASN HD22 H 0.300000 1.00800 0 0.00000 -0.301140E-02
548 PROA 35 ASN C C 0.510000 12.0110 0 0.00000 -0.301140E-02
549 PROA 35 ASN O O -0.510000 15.9990 0 0.00000 -0.301140E-02
550 PROA 36 ASP N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
551 PROA 36 ASP HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
552 PROA 36 ASP CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
553 PROA 36 ASP HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
554 PROA 36 ASP CB CT2A -0.280000 12.0110 0 0.00000 -0.301140E-02
555 PROA 36 ASP HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
556 PROA 36 ASP HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
557 PROA 36 ASP CG CC 0.620000 12.0110 0 0.00000 -0.301140E-02
558 PROA 36 ASP OD1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
559 PROA 36 ASP OD2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
560 PROA 36 ASP C C 0.510000 12.0110 0 0.00000 -0.301140E-02
561 PROA 36 ASP O O -0.510000 15.9990 0 0.00000 -0.301140E-02
562 PROA 37 ASN N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
563 PROA 37 ASN HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
564 PROA 37 ASN CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
565 PROA 37 ASN HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
566 PROA 37 ASN CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
567 PROA 37 ASN HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
568 PROA 37 ASN HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
569 PROA 37 ASN CG CC 0.550000 12.0110 0 0.00000 -0.301140E-02
570 PROA 37 ASN OD1 O -0.550000 15.9990 0 0.00000 -0.301140E-02
571 PROA 37 ASN ND2 NH2 -0.620000 14.0070 0 0.00000 -0.301140E-02
572 PROA 37 ASN HD21 H 0.320000 1.00800 0 0.00000 -0.301140E-02
573 PROA 37 ASN HD22 H 0.300000 1.00800 0 0.00000 -0.301140E-02
574 PROA 37 ASN C C 0.510000 12.0110 0 0.00000 -0.301140E-02
575 PROA 37 ASN O O -0.510000 15.9990 0 0.00000 -0.301140E-02
576 PROA 38 GLY N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
577 PROA 38 GLY HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
578 PROA 38 GLY CA CT2 -0.200000E-01 12.0110 0 0.00000 -0.301140E-02
579 PROA 38 GLY HA1 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
580 PROA 38 GLY HA2 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
581 PROA 38 GLY C C 0.510000 12.0110 0 0.00000 -0.301140E-02
582 PROA 38 GLY O O -0.510000 15.9990 0 0.00000 -0.301140E-02
583 PROA 39 VAL N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
584 PROA 39 VAL HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
585 PROA 39 VAL CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
586 PROA 39 VAL HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
587 PROA 39 VAL CB CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
588 PROA 39 VAL HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
589 PROA 39 VAL CG1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
590 PROA 39 VAL HG11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
591 PROA 39 VAL HG12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
592 PROA 39 VAL HG13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
593 PROA 39 VAL CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
594 PROA 39 VAL HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
595 PROA 39 VAL HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
596 PROA 39 VAL HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
597 PROA 39 VAL C C 0.510000 12.0110 0 0.00000 -0.301140E-02
598 PROA 39 VAL O O -0.510000 15.9990 0 0.00000 -0.301140E-02
599 PROA 40 ASP N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
600 PROA 40 ASP HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
601 PROA 40 ASP CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
602 PROA 40 ASP HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
603 PROA 40 ASP CB CT2A -0.280000 12.0110 0 0.00000 -0.301140E-02
604 PROA 40 ASP HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
605 PROA 40 ASP HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
606 PROA 40 ASP CG CC 0.620000 12.0110 0 0.00000 -0.301140E-02
607 PROA 40 ASP OD1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
608 PROA 40 ASP OD2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
609 PROA 40 ASP C C 0.510000 12.0110 0 0.00000 -0.301140E-02
610 PROA 40 ASP O O -0.510000 15.9990 0 0.00000 -0.301140E-02
611 PROA 41 GLY N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
612 PROA 41 GLY HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
613 PROA 41 GLY CA CT2 -0.200000E-01 12.0110 0 0.00000 -0.301140E-02
614 PROA 41 GLY HA1 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
615 PROA 41 GLY HA2 HB2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
616 PROA 41 GLY C C 0.510000 12.0110 0 0.00000 -0.301140E-02
617 PROA 41 GLY O O -0.510000 15.9990 0 0.00000 -0.301140E-02
618 PROA 42 GLU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
619 PROA 42 GLU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
620 PROA 42 GLU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
621 PROA 42 GLU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
622 PROA 42 GLU CB CT2A -0.180000 12.0110 0 0.00000 -0.301140E-02
623 PROA 42 GLU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
624 PROA 42 GLU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
625 PROA 42 GLU CG CT2 -0.280000 12.0110 0 0.00000 -0.301140E-02
626 PROA 42 GLU HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
627 PROA 42 GLU HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
628 PROA 42 GLU CD CC 0.620000 12.0110 0 0.00000 -0.301140E-02
629 PROA 42 GLU OE1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
630 PROA 42 GLU OE2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
631 PROA 42 GLU C C 0.510000 12.0110 0 0.00000 -0.301140E-02
632 PROA 42 GLU O O -0.510000 15.9990 0 0.00000 -0.301140E-02
633 PROA 43 TRP N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
634 PROA 43 TRP HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
635 PROA 43 TRP CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
636 PROA 43 TRP HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
637 PROA 43 TRP CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
638 PROA 43 TRP HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
639 PROA 43 TRP HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
640 PROA 43 TRP CG CY -0.300000E-01 12.0110 0 0.00000 -0.301140E-02
641 PROA 43 TRP CD1 CA -0.150000 12.0110 0 0.00000 -0.301140E-02
642 PROA 43 TRP HD1 HP 0.220000 1.00800 0 0.00000 -0.301140E-02
643 PROA 43 TRP NE1 NY -0.510000 14.0070 0 0.00000 -0.301140E-02
644 PROA 43 TRP HE1 H 0.370000 1.00800 0 0.00000 -0.301140E-02
645 PROA 43 TRP CE2 CPT 0.240000 12.0110 0 0.00000 -0.301140E-02
646 PROA 43 TRP CD2 CPT 0.110000 12.0110 0 0.00000 -0.301140E-02
647 PROA 43 TRP CE3 CAI -0.250000 12.0110 0 0.00000 -0.301140E-02
648 PROA 43 TRP HE3 HP 0.170000 1.00800 0 0.00000 -0.301140E-02
649 PROA 43 TRP CZ3 CA -0.200000 12.0110 0 0.00000 -0.301140E-02
650 PROA 43 TRP HZ3 HP 0.140000 1.00800 0 0.00000 -0.301140E-02
651 PROA 43 TRP CZ2 CAI -0.270000 12.0110 0 0.00000 -0.301140E-02
652 PROA 43 TRP HZ2 HP 0.160000 1.00800 0 0.00000 -0.301140E-02
653 PROA 43 TRP CH2 CA -0.140000 12.0110 0 0.00000 -0.301140E-02
654 PROA 43 TRP HH2 HP 0.140000 1.00800 0 0.00000 -0.301140E-02
655 PROA 43 TRP C C 0.510000 12.0110 0 0.00000 -0.301140E-02
656 PROA 43 TRP O O -0.510000 15.9990 0 0.00000 -0.301140E-02
657 PROA 44 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
658 PROA 44 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
659 PROA 44 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
660 PROA 44 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
661 PROA 44 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
662 PROA 44 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
663 PROA 44 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
664 PROA 44 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
665 PROA 44 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
666 PROA 44 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
667 PROA 44 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
668 PROA 44 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
669 PROA 44 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
670 PROA 44 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
671 PROA 45 TYR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
672 PROA 45 TYR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
673 PROA 45 TYR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
674 PROA 45 TYR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
675 PROA 45 TYR CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
676 PROA 45 TYR HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
677 PROA 45 TYR HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
678 PROA 45 TYR CG CA 0.00000 12.0110 0 0.00000 -0.301140E-02
679 PROA 45 TYR CD1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
680 PROA 45 TYR HD1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
681 PROA 45 TYR CE1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
682 PROA 45 TYR HE1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
683 PROA 45 TYR CZ CA 0.110000 12.0110 0 0.00000 -0.301140E-02
684 PROA 45 TYR OH OH1 -0.540000 15.9990 0 0.00000 -0.301140E-02
685 PROA 45 TYR HH H 0.430000 1.00800 0 0.00000 -0.301140E-02
686 PROA 45 TYR CD2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
687 PROA 45 TYR HD2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
688 PROA 45 TYR CE2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
689 PROA 45 TYR HE2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
690 PROA 45 TYR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
691 PROA 45 TYR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
692 PROA 46 ASP N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
693 PROA 46 ASP HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
694 PROA 46 ASP CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
695 PROA 46 ASP HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
696 PROA 46 ASP CB CT2A -0.280000 12.0110 0 0.00000 -0.301140E-02
697 PROA 46 ASP HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
698 PROA 46 ASP HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
699 PROA 46 ASP CG CC 0.620000 12.0110 0 0.00000 -0.301140E-02
700 PROA 46 ASP OD1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
701 PROA 46 ASP OD2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
702 PROA 46 ASP C C 0.510000 12.0110 0 0.00000 -0.301140E-02
703 PROA 46 ASP O O -0.510000 15.9990 0 0.00000 -0.301140E-02
704 PROA 47 ASP N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
705 PROA 47 ASP HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
706 PROA 47 ASP CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
707 PROA 47 ASP HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
708 PROA 47 ASP CB CT2A -0.280000 12.0110 0 0.00000 -0.301140E-02
709 PROA 47 ASP HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
710 PROA 47 ASP HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
711 PROA 47 ASP CG CC 0.620000 12.0110 0 0.00000 -0.301140E-02
712 PROA 47 ASP OD1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
713 PROA 47 ASP OD2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
714 PROA 47 ASP C C 0.510000 12.0110 0 0.00000 -0.301140E-02
715 PROA 47 ASP O O -0.510000 15.9990 0 0.00000 -0.301140E-02
716 PROA 48 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
717 PROA 48 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
718 PROA 48 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
719 PROA 48 ALA HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
720 PROA 48 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
721 PROA 48 ALA HB1 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
722 PROA 48 ALA HB2 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
723 PROA 48 ALA HB3 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
724 PROA 48 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02
725 PROA 48 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02
726 PROA 49 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
727 PROA 49 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
728 PROA 49 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
729 PROA 49 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
730 PROA 49 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
731 PROA 49 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
732 PROA 49 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
733 PROA 49 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
734 PROA 49 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
735 PROA 49 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
736 PROA 49 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
737 PROA 49 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
738 PROA 49 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
739 PROA 49 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
740 PROA 50 LYS N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
741 PROA 50 LYS HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
742 PROA 50 LYS CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
743 PROA 50 LYS HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
744 PROA 50 LYS CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
745 PROA 50 LYS HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
746 PROA 50 LYS HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
747 PROA 50 LYS CG CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
748 PROA 50 LYS HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
749 PROA 50 LYS HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
750 PROA 50 LYS CD CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
751 PROA 50 LYS HD1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
752 PROA 50 LYS HD2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
753 PROA 50 LYS CE CT2 0.210000 12.0110 0 0.00000 -0.301140E-02
754 PROA 50 LYS HE1 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
755 PROA 50 LYS HE2 HA2 0.500000E-01 1.00800 0 0.00000 -0.301140E-02
756 PROA 50 LYS NZ NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02
757 PROA 50 LYS HZ1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
758 PROA 50 LYS HZ2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
759 PROA 50 LYS HZ3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02
760 PROA 50 LYS C C 0.510000 12.0110 0 0.00000 -0.301140E-02
761 PROA 50 LYS O O -0.510000 15.9990 0 0.00000 -0.301140E-02
762 PROA 51 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
763 PROA 51 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
764 PROA 51 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
765 PROA 51 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
766 PROA 51 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
767 PROA 51 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
768 PROA 51 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
769 PROA 51 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
770 PROA 51 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
771 PROA 51 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
772 PROA 51 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
773 PROA 51 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
774 PROA 51 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
775 PROA 51 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
776 PROA 52 PHE N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
777 PROA 52 PHE HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
778 PROA 52 PHE CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
779 PROA 52 PHE HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
780 PROA 52 PHE CB CT2 -0.180000 12.0110 0 0.00000 -0.301140E-02
781 PROA 52 PHE HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
782 PROA 52 PHE HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
783 PROA 52 PHE CG CA 0.00000 12.0110 0 0.00000 -0.301140E-02
784 PROA 52 PHE CD1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
785 PROA 52 PHE HD1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
786 PROA 52 PHE CE1 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
787 PROA 52 PHE HE1 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
788 PROA 52 PHE CZ CA -0.115000 12.0110 0 0.00000 -0.301140E-02
789 PROA 52 PHE HZ HP 0.115000 1.00800 0 0.00000 -0.301140E-02
790 PROA 52 PHE CD2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
791 PROA 52 PHE HD2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
792 PROA 52 PHE CE2 CA -0.115000 12.0110 0 0.00000 -0.301140E-02
793 PROA 52 PHE HE2 HP 0.115000 1.00800 0 0.00000 -0.301140E-02
794 PROA 52 PHE C C 0.510000 12.0110 0 0.00000 -0.301140E-02
795 PROA 52 PHE O O -0.510000 15.9990 0 0.00000 -0.301140E-02
796 PROA 53 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
797 PROA 53 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
798 PROA 53 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
799 PROA 53 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
800 PROA 53 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
801 PROA 53 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
802 PROA 53 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
803 PROA 53 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
804 PROA 53 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
805 PROA 53 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
806 PROA 53 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
807 PROA 53 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
808 PROA 53 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
809 PROA 53 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
810 PROA 54 VAL N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
811 PROA 54 VAL HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
812 PROA 54 VAL CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
813 PROA 54 VAL HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
814 PROA 54 VAL CB CT1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02
815 PROA 54 VAL HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
816 PROA 54 VAL CG1 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
817 PROA 54 VAL HG11 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
818 PROA 54 VAL HG12 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
819 PROA 54 VAL HG13 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
820 PROA 54 VAL CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
821 PROA 54 VAL HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
822 PROA 54 VAL HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
823 PROA 54 VAL HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
824 PROA 54 VAL C C 0.510000 12.0110 0 0.00000 -0.301140E-02
825 PROA 54 VAL O O -0.510000 15.9990 0 0.00000 -0.301140E-02
826 PROA 55 THR N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
827 PROA 55 THR HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
828 PROA 55 THR CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
829 PROA 55 THR HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
830 PROA 55 THR CB CT1 0.140000 12.0110 0 0.00000 -0.301140E-02
831 PROA 55 THR HB HA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
832 PROA 55 THR OG1 OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02
833 PROA 55 THR HG1 H 0.430000 1.00800 0 0.00000 -0.301140E-02
834 PROA 55 THR CG2 CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02
835 PROA 55 THR HG21 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
836 PROA 55 THR HG22 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
837 PROA 55 THR HG23 HA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
838 PROA 55 THR C C 0.510000 12.0110 0 0.00000 -0.301140E-02
839 PROA 55 THR O O -0.510000 15.9990 0 0.00000 -0.301140E-02
840 PROA 56 GLU N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02
841 PROA 56 GLU HN H 0.310000 1.00800 0 0.00000 -0.301140E-02
842 PROA 56 GLU CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02
843 PROA 56 GLU HA HB1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
844 PROA 56 GLU CB CT2A -0.180000 12.0110 0 0.00000 -0.301140E-02
845 PROA 56 GLU HB1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
846 PROA 56 GLU HB2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
847 PROA 56 GLU CG CT2 -0.280000 12.0110 0 0.00000 -0.301140E-02
848 PROA 56 GLU HG1 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
849 PROA 56 GLU HG2 HA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02
850 PROA 56 GLU CD CC 0.620000 12.0110 0 0.00000 -0.301140E-02
851 PROA 56 GLU OE1 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
852 PROA 56 GLU OE2 OC -0.760000 15.9990 0 0.00000 -0.301140E-02
853 PROA 56 GLU C CC 0.340000 12.0110 0 0.00000 -0.301140E-02
854 PROA 56 GLU OT1 OC -0.670000 15.9990 0 0.00000 -0.301140E-02
855 PROA 56 GLU OT2 OC -0.670000 15.9990 0 0.00000 -0.301140E-02
861 !NBOND: bonds
2 1 3 1 4 1 7 5
10 7 13 10 14 13 1 5
18 5 18 20 5 6 7 8
7 9 10 11 10 12 14 15
14 16 14 17 19 18 24 22
26 24 28 24 20 21 20 22
32 22 32 34 22 23 24 25
26 27 28 29 28 30 28 31
33 32 38 36 41 38 49 41
44 42 46 51 47 46 34 35
34 36 53 36 53 55 36 37
38 39 38 40 42 43 49 50
44 45 51 52 47 48 54 53
42 41 44 46 51 49 59 57
62 59 65 62 68 65 71 68
55 56 55 57 75 57 75 77
57 58 59 60 59 61 62 63
62 64 65 66 65 67 68 69
68 70 76 75 71 72 71 73
71 74 81 79 84 81 86 84
90 84 77 78 77 79 94 79
94 96 79 80 81 82 81 83
84 85 86 87 86 88 86 89
90 91 90 92 90 93 95 94
100 98 106 100 102 100 109 106
96 97 96 98 113 98 113 115
98 99 100 101 106 107 106 108
102 103 102 104 102 105 109 110
109 111 109 112 114 113 119 117
122 119 124 122 128 122 115 116
115 117 132 117 132 134 117 118
119 120 119 121 122 123 124 125
124 126 124 127 128 129 128 130
128 131 133 132 138 136 141 138
143 141 134 135 134 136 146 136
146 148 136 137 138 139 138 140
143 144 143 145 146 147 141 142
148 149 148 150 153 150 153 155
150 151 150 152 154 153 159 157
162 159 165 162 168 165 171 168
155 156 155 157 175 157 175 177
157 158 159 160 159 161 162 163
162 164 165 166 165 167 168 169
168 170 176 175 171 172 171 173
171 174 181 179 183 181 185 181
177 178 177 179 189 179 189 191
179 180 181 182 183 184 185 186
185 187 185 188 190 189 195 193
198 195 200 198 204 198 191 192
191 193 208 193 208 210 193 194
195 196 195 197 198 199 200 201
200 202 200 203 204 205 204 206
204 207 209 208 214 212 217 214
220 217 223 220 226 223 210 211
210 212 230 212 230 232 212 213
214 215 214 216 217 218 217 219
220 221 220 222 223 224 223 225
231 230 226 227 226 228 226 229
232 233 232 234 237 234 237 239
234 235 234 236 238 237 243 241
246 243 249 246 251 249 239 240
239 241 252 241 252 254 241 242
243 244 243 245 246 247 246 248
253 252 249 250 258 256 260 258
262 258 254 255 254 256 266 256
266 268 256 257 258 259 260 261
262 263 262 264 262 265 267 266
272 270 274 272 276 272 268 269
268 270 280 270 280 282 270 271
272 273 274 275 276 277 276 278
276 279 281 280 286 284 288 286
290 286 282 283 282 284 294 284
294 296 284 285 286 287 288 289
290 291 290 292 290 293 295 294
300 298 303 300 306 303 308 306
296 297 296 298 309 298 309 311
298 299 300 301 300 302 303 304
303 305 310 309 306 307 315 313
311 312 311 313 319 313 319 321
313 314 315 316 315 317 315 318
320 319 325 323 327 325 331 325
321 322 321 323 335 323 335 337
323 324 325 326 327 328 327 329
327 330 331 332 331 333 331 334
336 335 341 339 344 341 346 344
337 338 337 339 347 339 347 349
339 340 341 342 341 343 348 347
344 345 353 351 349 350 349 351
357 351 357 359 351 352 353 354
353 355 353 356 358 357 363 361
359 360 359 361 367 361 367 369
361 362 363 364 363 365 363 366
368 367 373 371 375 373 377 373
369 370 369 371 381 371 381 383
371 372 373 374 375 376 377 378
377 379 377 380 382 381 387 385
383 384 383 385 391 385 391 393
385 386 387 388 387 389 387 390
392 391 397 395 400 397 403 400
405 403 393 394 393 395 406 395
406 408 395 396 397 398 397 399
400 401 400 402 407 406 403 404
412 410 415 412 418 415 421 418
424 421 408 409 408 410 428 410
428 430 410 411 412 413 412 414
415 416 415 417 418 419 418 420
421 422 421 423 429 428 424 425
424 426 424 427 434 432 436 434
440 434 430 431 430 432 444 432
444 446 432 433 434 435 436 437
436 438 436 439 440 441 440 442
440 443 445 444 450 448 453 450
460 453 456 454 458 462 446 447
446 448 464 448 464 466 448 449
450 451 450 452 454 455 460 461
456 457 465 464 454 453 458 456
462 460 462 463 458 459 470 468
473 470 476 473 479 476 482 479
466 467 466 468 486 468 486 488
468 469 470 471 470 472 473 474
473 475 476 477 476 478 479 480
479 481 487 486 482 483 482 484
482 485 492 490 495 492 498 495
500 498 488 489 488 490 503 490
503 505 490 491 492 493 492 494
495 496 495 497 500 501 500 502
504 503 498 499 509 507 512 509
520 512 515 513 517 522 518 517
505 506 505 507 524 507 524 526
507 508 509 510 509 511 513 514
520 521 515 516 522 523 518 519
525 524 513 512 515 517 522 520
530 528 526 527 526 528 534 528
534 536 528 529 530 531 530 532
530 533 535 534 540 538 543 540
545 543 536 537 536 538 548 538
548 550 538 539 540 541 540 542
545 546 545 547 548 549 543 544
554 552 557 554 559 557 550 551
550 552 560 552 560 562 552 553
554 555 554 556 561 560 557 558
566 564 569 566 571 569 562 563
562 564 574 564 574 576 564 565
566 567 566 568 571 572 571 573
574 575 569 570 576 577 576 578
581 578 581 583 578 579 578 580
582 581 587 585 589 587 593 587
583 584 583 585 597 585 597 599
585 586 587 588 589 590 589 591
589 592 593 594 593 595 593 596
598 597 603 601 606 603 608 606
599 600 599 601 609 601 609 611
601 602 603 604 603 605 610 609
606 607 611 612 611 613 616 613
616 618 613 614 613 615 617 616
622 620 625 622 628 625 630 628
618 619 618 620 631 620 631 633
620 621 622 623 622 624 625 626
625 627 632 631 628 629 637 635
640 637 646 640 643 641 651 645
633 634 633 635 655 635 655 657
649 653 646 647 643 645 635 636
637 638 637 639 641 642 643 644
647 648 651 652 649 650 653 654
656 655 641 640 645 646 649 647
653 651 661 659 663 661 665 661
657 658 657 659 669 659 669 671
659 660 661 662 663 664 665 666
665 667 665 668 670 669 675 673
678 675 686 678 681 679 683 688
684 683 671 672 671 673 690 673
690 692 673 674 675 676 675 677
679 680 686 687 681 682 688 689
684 685 691 690 679 678 681 683
688 686 696 694 699 696 701 699
692 693 692 694 702 694 702 704
694 695 696 697 696 698 703 702
699 700 708 706 711 708 713 711
704 705 704 706 714 706 714 716
706 707 708 709 708 710 715 714
711 712 720 718 716 717 716 718
724 718 724 726 718 719 720 721
720 722 720 723 725 724 730 728
732 730 734 730 726 727 726 728
738 728 738 740 728 729 730 731
732 733 734 735 734 736 734 737
739 738 744 742 747 744 750 747
753 750 756 753 740 741 740 742
760 742 760 762 742 743 744 745
744 746 747 748 747 749 750 751
750 752 753 754 753 755 761 760
756 757 756 758 756 759 766 764
768 766 770 766 762 763 762 764
774 764 774 776 764 765 766 767
768 769 770 771 770 772 770 773
775 774 780 778 783 780 790 783
786 784 788 792 776 777 776 778
794 778 794 796 778 779 780 781
780 782 784 785 790 791 786 787
795 794 784 783 788 786 792 790
792 793 788 789 800 798 802 800
804 800 796 797 796 798 808 798
808 810 798 799 800 801 802 803
804 805 804 806 804 807 809 808
814 812 816 814 820 814 810 811
810 812 824 812 824 826 812 813
814 815 816 817 816 818 816 819
820 821 820 822 820 823 825 824
830 828 832 830 834 830 826 827
826 828 838 828 838 840 828 829
830 831 832 833 834 835 834 836
834 837 839 838 844 842 847 844
850 847 852 850 840 841 840 842
853 842 842 843 844 845 844 846
847 848 847 849 850 851 853 855
853 854
1551 !NTHETA: angles
2 1 3 2 1 4 2 1 5
3 1 4 3 1 5 4 1 5
1 5 6 1 5 7 1 5 18
6 5 7 6 5 18 7 5 18
5 7 8 5 7 9 5 7 10
8 7 9 8 7 10 9 7 10
7 10 11 7 10 12 7 10 13
11 10 12 11 10 13 12 10 13
10 13 14 13 14 15 13 14 16
13 14 17 15 14 16 15 14 17
16 14 17 5 18 19 5 18 20
19 18 20 18 20 21 18 20 22
21 20 22 20 22 23 20 22 24
20 22 32 23 22 24 23 22 32
24 22 32 22 24 25 22 24 26
22 24 28 25 24 26 25 24 28
26 24 28 24 26 27 24 28 29
24 28 30 24 28 31 29 28 30
29 28 31 30 28 31 22 32 33
22 32 34 33 32 34 32 34 35
32 34 36 35 34 36 34 36 37
34 36 38 34 36 53 37 36 38
37 36 53 38 36 53 36 38 39
36 38 40 36 38 41 39 38 40
39 38 41 40 38 41 38 41 42
38 41 49 42 41 49 41 42 43
41 42 44 43 42 44 42 44 45
42 44 46 45 44 46 44 46 47
44 46 51 47 46 51 46 47 48
41 49 50 41 49 51 50 49 51
46 51 49 46 51 52 49 51 52
36 53 54 36 53 55 54 53 55
53 55 56 53 55 57 56 55 57
55 57 58 55 57 59 55 57 75
58 57 59 58 57 75 59 57 75
57 59 60 57 59 61 57 59 62
60 59 61 60 59 62 61 59 62
59 62 63 59 62 64 59 62 65
63 62 64 63 62 65 64 62 65
62 65 66 62 65 67 62 65 68
66 65 67 66 65 68 67 65 68
65 68 69 65 68 70 65 68 71
69 68 70 69 68 71 70 68 71
68 71 72 68 71 73 68 71 74
72 71 73 72 71 74 73 71 74
57 75 76 57 75 77 76 75 77
75 77 78 75 77 79 78 77 79
77 79 80 77 79 81 77 79 94
80 79 81 80 79 94 81 79 94
79 81 82 79 81 83 79 81 84
82 81 83 82 81 84 83 81 84
81 84 85 81 84 86 81 84 90
85 84 86 85 84 90 86 84 90
84 86 87 84 86 88 84 86 89
87 86 88 87 86 89 88 86 89
84 90 91 84 90 92 84 90 93
91 90 92 91 90 93 92 90 93
79 94 95 79 94 96 95 94 96
94 96 97 94 96 98 97 96 98
96 98 99 96 98 100 96 98 113
99 98 100 99 98 113 100 98 113
98 100 101 98 100 102 98 100 106
101 100 102 101 100 106 102 100 106
100 102 103 100 102 104 100 102 105
103 102 104 103 102 105 104 102 105
100 106 107 100 106 108 100 106 109
107 106 108 107 106 109 108 106 109
106 109 110 106 109 111 106 109 112
110 109 111 110 109 112 111 109 112
98 113 114 98 113 115 114 113 115
113 115 116 113 115 117 116 115 117
115 117 118 115 117 119 115 117 132
118 117 119 118 117 132 119 117 132
117 119 120 117 119 121 117 119 122
120 119 121 120 119 122 121 119 122
119 122 123 119 122 124 119 122 128
123 122 124 123 122 128 124 122 128
122 124 125 122 124 126 122 124 127
125 124 126 125 124 127 126 124 127
122 128 129 122 128 130 122 128 131
129 128 130 129 128 131 130 128 131
117 132 133 117 132 134 133 132 134
132 134 135 132 134 136 135 134 136
134 136 137 134 136 138 134 136 146
137 136 138 137 136 146 138 136 146
136 138 139 136 138 140 136 138 141
139 138 140 139 138 141 140 138 141
138 141 142 138 141 143 142 141 143
141 143 144 141 143 145 144 143 145
136 146 147 136 146 148 147 146 148
146 148 149 146 148 150 149 148 150
148 150 151 148 150 152 148 150 153
151 150 152 151 150 153 152 150 153
150 153 154 150 153 155 154 153 155
153 155 156 153 155 157 156 155 157
155 157 158 155 157 159 155 157 175
158 157 159 158 157 175 159 157 175
157 159 160 157 159 161 157 159 162
160 159 161 160 159 162 161 159 162
159 162 163 159 162 164 159 162 165
163 162 164 163 162 165 164 162 165
162 165 166 162 165 167 162 165 168
166 165 167 166 165 168 167 165 168
165 168 169 165 168 170 165 168 171
169 168 170 169 168 171 170 168 171
168 171 172 168 171 173 168 171 174
172 171 173 172 171 174 173 171 174
157 175 176 157 175 177 176 175 177
175 177 178 175 177 179 178 177 179
177 179 180 177 179 181 177 179 189
180 179 181 180 179 189 181 179 189
179 181 182 179 181 183 179 181 185
182 181 183 182 181 185 183 181 185
181 183 184 181 185 186 181 185 187
181 185 188 186 185 187 186 185 188
187 185 188 179 189 190 179 189 191
190 189 191 189 191 192 189 191 193
192 191 193 191 193 194 191 193 195
191 193 208 194 193 195 194 193 208
195 193 208 193 195 196 193 195 197
193 195 198 196 195 197 196 195 198
197 195 198 195 198 199 195 198 200
195 198 204 199 198 200 199 198 204
200 198 204 198 200 201 198 200 202
198 200 203 201 200 202 201 200 203
202 200 203 198 204 205 198 204 206
198 204 207 205 204 206 205 204 207
206 204 207 193 208 209 193 208 210
209 208 210 208 210 211 208 210 212
211 210 212 210 212 213 210 212 214
210 212 230 213 212 214 213 212 230
214 212 230 212 214 215 212 214 216
212 214 217 215 214 216 215 214 217
216 214 217 214 217 218 214 217 219
214 217 220 218 217 219 218 217 220
219 217 220 217 220 221 217 220 222
217 220 223 221 220 222 221 220 223
222 220 223 220 223 224 220 223 225
220 223 226 224 223 225 224 223 226
225 223 226 223 226 227 223 226 228
223 226 229 227 226 228 227 226 229
228 226 229 212 230 231 212 230 232
231 230 232 230 232 233 230 232 234
233 232 234 232 234 235 232 234 236
232 234 237 235 234 236 235 234 237
236 234 237 234 237 238 234 237 239
238 237 239 237 239 240 237 239 241
240 239 241 239 241 242 239 241 243
239 241 252 242 241 243 242 241 252
243 241 252 241 243 244 241 243 245
241 243 246 244 243 245 244 243 246
245 243 246 243 246 247 243 246 248
243 246 249 247 246 248 247 246 249
248 246 249 246 249 250 246 249 251
250 249 251 241 252 253 241 252 254
253 252 254 252 254 255 252 254 256
255 254 256 254 256 257 254 256 258
254 256 266 257 256 258 257 256 266
258 256 266 256 258 259 256 258 260
256 258 262 259 258 260 259 258 262
260 258 262 258 260 261 258 262 263
258 262 264 258 262 265 263 262 264
263 262 265 264 262 265 256 266 267
256 266 268 267 266 268 266 268 269
266 268 270 269 268 270 268 270 271
268 270 272 268 270 280 271 270 272
271 270 280 272 270 280 270 272 273
270 272 274 270 272 276 273 272 274
273 272 276 274 272 276 272 274 275
272 276 277 272 276 278 272 276 279
277 276 278 277 276 279 278 276 279
270 280 281 270 280 282 281 280 282
280 282 283 280 282 284 283 282 284
282 284 285 282 284 286 282 284 294
285 284 286 285 284 294 286 284 294
284 286 287 284 286 288 284 286 290
287 286 288 287 286 290 288 286 290
286 288 289 286 290 291 286 290 292
286 290 293 291 290 292 291 290 293
292 290 293 284 294 295 284 294 296
295 294 296 294 296 297 294 296 298
297 296 298 296 298 299 296 298 300
296 298 309 299 298 300 299 298 309
300 298 309 298 300 301 298 300 302
298 300 303 301 300 302 301 300 303
302 300 303 300 303 304 300 303 305
300 303 306 304 303 305 304 303 306
305 303 306 303 306 307 303 306 308
307 306 308 298 309 310 298 309 311
310 309 311 309 311 312 309 311 313
312 311 313 311 313 314 311 313 315
311 313 319 314 313 315 314 313 319
315 313 319 313 315 316 313 315 317
313 315 318 316 315 317 316 315 318
317 315 318 313 319 320 313 319 321
320 319 321 319 321 322 319 321 323
322 321 323 321 323 324 321 323 325
321 323 335 324 323 325 324 323 335
325 323 335 323 325 326 323 325 327
323 325 331 326 325 327 326 325 331
327 325 331 325 327 328 325 327 329
325 327 330 328 327 329 328 327 330
329 327 330 325 331 332 325 331 333
325 331 334 332 331 333 332 331 334
333 331 334 323 335 336 323 335 337
336 335 337 335 337 338 335 337 339
338 337 339 337 339 340 337 339 341
337 339 347 340 339 341 340 339 347
341 339 347 339 341 342 339 341 343
339 341 344 342 341 343 342 341 344
343 341 344 341 344 345 341 344 346
345 344 346 339 347 348 339 347 349
348 347 349 347 349 350 347 349 351
350 349 351 349 351 352 349 351 353
349 351 357 352 351 353 352 351 357
353 351 357 351 353 354 351 353 355
351 353 356 354 353 355 354 353 356
355 353 356 351 357 358 351 357 359
358 357 359 357 359 360 357 359 361
360 359 361 359 361 362 359 361 363
359 361 367 362 361 363 362 361 367
363 361 367 361 363 364 361 363 365
361 363 366 364 363 365 364 363 366
365 363 366 361 367 368 361 367 369
368 367 369 367 369 370 367 369 371
370 369 371 369 371 372 369 371 373
369 371 381 372 371 373 372 371 381
373 371 381 371 373 374 371 373 375
371 373 377 374 373 375 374 373 377
375 373 377 373 375 376 373 377 378
373 377 379 373 377 380 378 377 379
378 377 380 379 377 380 371 381 382
371 381 383 382 381 383 381 383 384
381 383 385 384 383 385 383 385 386
383 385 387 383 385 391 386 385 387
386 385 391 387 385 391 385 387 388
385 387 389 385 387 390 388 387 389
388 387 390 389 387 390 385 391 392
385 391 393 392 391 393 391 393 394
391 393 395 394 393 395 393 395 396
393 395 397 393 395 406 396 395 397
396 395 406 397 395 406 395 397 398
395 397 399 395 397 400 398 397 399
398 397 400 399 397 400 397 400 401
397 400 402 397 400 403 401 400 402
401 400 403 402 400 403 400 403 404
400 403 405 404 403 405 395 406 407
395 406 408 407 406 408 406 408 409
406 408 410 409 408 410 408 410 411
408 410 412 408 410 428 411 410 412
411 410 428 412 410 428 410 412 413
410 412 414 410 412 415 413 412 414
413 412 415 414 412 415 412 415 416
412 415 417 412 415 418 416 415 417
416 415 418 417 415 418 415 418 419
415 418 420 415 418 421 419 418 420
419 418 421 420 418 421 418 421 422
418 421 423 418 421 424 422 421 423
422 421 424 423 421 424 421 424 425
421 424 426 421 424 427 425 424 426
425 424 427 426 424 427 410 428 429
410 428 430 429 428 430 428 430 431
428 430 432 431 430 432 430 432 433
430 432 434 430 432 444 433 432 434
433 432 444 434 432 444 432 434 435
432 434 436 432 434 440 435 434 436
435 434 440 436 434 440 434 436 437
434 436 438 434 436 439 437 436 438
437 436 439 438 436 439 434 440 441
434 440 442 434 440 443 441 440 442
441 440 443 442 440 443 432 444 445
432 444 446 445 444 446 444 446 447
444 446 448 447 446 448 446 448 449
446 448 450 446 448 464 449 448 450
449 448 464 450 448 464 448 450 451
448 450 452 448 450 453 451 450 452
451 450 453 452 450 453 450 453 454
450 453 460 454 453 460 453 454 455
453 454 456 455 454 456 454 456 457
454 456 458 457 456 458 456 458 459
456 458 462 459 458 462 453 460 461
453 460 462 461 460 462 458 462 460
458 462 463 460 462 463 448 464 465
448 464 466 465 464 466 464 466 467
464 466 468 467 466 468 466 468 469
466 468 470 466 468 486 469 468 470
469 468 486 470 468 486 468 470 471
468 470 472 468 470 473 471 470 472
471 470 473 472 470 473 470 473 474
470 473 475 470 473 476 474 473 475
474 473 476 475 473 476 473 476 477
473 476 478 473 476 479 477 476 478
477 476 479 478 476 479 476 479 480
476 479 481 476 479 482 480 479 481
480 479 482 481 479 482 479 482 483
479 482 484 479 482 485 483 482 484
483 482 485 484 482 485 468 486 487
468 486 488 487 486 488 486 488 489
486 488 490 489 488 490 488 490 491
488 490 492 488 490 503 491 490 492
491 490 503 492 490 503 490 492 493
490 492 494 490 492 495 493 492 494
493 492 495 494 492 495 492 495 496
492 495 497 492 495 498 496 495 497
496 495 498 497 495 498 495 498 499
495 498 500 499 498 500 498 500 501
498 500 502 501 500 502 490 503 504
490 503 505 504 503 505 503 505 506
503 505 507 506 505 507 505 507 508
505 507 509 505 507 524 508 507 509
508 507 524 509 507 524 507 509 510
507 509 511 507 509 512 510 509 511
510 509 512 511 509 512 509 512 513
509 512 520 513 512 520 512 513 514
512 513 515 514 513 515 513 515 516
513 515 517 516 515 517 515 517 518
515 517 522 518 517 522 517 518 519
512 520 521 512 520 522 521 520 522
517 522 520 517 522 523 520 522 523
507 524 525 507 524 526 525 524 526
524 526 527 524 526 528 527 526 528
526 528 529 526 528 530 526 528 534
529 528 530 529 528 534 530 528 534
528 530 531 528 530 532 528 530 533
531 530 532 531 530 533 532 530 533
528 534 535 528 534 536 535 534 536
534 536 537 534 536 538 537 536 538
536 538 539 536 538 540 536 538 548
539 538 540 539 538 548 540 538 548
538 540 541 538 540 542 538 540 543
541 540 542 541 540 543 542 540 543
540 543 544 540 543 545 544 543 545
543 545 546 543 545 547 546 545 547
538 548 549 538 548 550 549 548 550
548 550 551 548 550 552 551 550 552
550 552 553 550 552 554 550 552 560
553 552 554 553 552 560 554 552 560
552 554 555 552 554 556 552 554 557
555 554 556 555 554 557 556 554 557
554 557 558 554 557 559 558 557 559
552 560 561 552 560 562 561 560 562
560 562 563 560 562 564 563 562 564
562 564 565 562 564 566 562 564 574
565 564 566 565 564 574 566 564 574
564 566 567 564 566 568 564 566 569
567 566 568 567 566 569 568 566 569
566 569 570 566 569 571 570 569 571
569 571 572 569 571 573 572 571 573
564 574 575 564 574 576 575 574 576
574 576 577 574 576 578 577 576 578
576 578 579 576 578 580 576 578 581
579 578 580 579 578 581 580 578 581
578 581 582 578 581 583 582 581 583
581 583 584 581 583 585 584 583 585
583 585 586 583 585 587 583 585 597
586 585 587 586 585 597 587 585 597
585 587 588 585 587 589 585 587 593
588 587 589 588 587 593 589 587 593
587 589 590 587 589 591 587 589 592
590 589 591 590 589 592 591 589 592
587 593 594 587 593 595 587 593 596
594 593 595 594 593 596 595 593 596
585 597 598 585 597 599 598 597 599
597 599 600 597 599 601 600 599 601
599 601 602 599 601 603 599 601 609
602 601 603 602 601 609 603 601 609
601 603 604 601 603 605 601 603 606
604 603 605 604 603 606 605 603 606
603 606 607 603 606 608 607 606 608
601 609 610 601 609 611 610 609 611
609 611 612 609 611 613 612 611 613
611 613 614 611 613 615 611 613 616
614 613 615 614 613 616 615 613 616
613 616 617 613 616 618 617 616 618
616 618 619 616 618 620 619 618 620
618 620 621 618 620 622 618 620 631
621 620 622 621 620 631 622 620 631
620 622 623 620 622 624 620 622 625
623 622 624 623 622 625 624 622 625
622 625 626 622 625 627 622 625 628
626 625 627 626 625 628 627 625 628
625 628 629 625 628 630 629 628 630
620 631 632 620 631 633 632 631 633
631 633 634 631 633 635 634 633 635
633 635 636 633 635 637 633 635 655
636 635 637 636 635 655 637 635 655
635 637 638 635 637 639 635 637 640
638 637 639 638 637 640 639 637 640
637 640 641 637 640 646 641 640 646
640 641 642 640 641 643 642 641 643
641 643 644 641 643 645 644 643 645
643 645 646 643 645 651 646 645 651
640 646 645 640 646 647 645 646 647
646 647 648 646 647 649 648 647 649
647 649 650 647 649 653 650 649 653
645 651 652 645 651 653 652 651 653
649 653 651 649 653 654 651 653 654
635 655 656 635 655 657 656 655 657
655 657 658 655 657 659 658 657 659
657 659 660 657 659 661 657 659 669
660 659 661 660 659 669 661 659 669
659 661 662 659 661 663 659 661 665
662 661 663 662 661 665 663 661 665
661 663 664 661 665 666 661 665 667
661 665 668 666 665 667 666 665 668
667 665 668 659 669 670 659 669 671
670 669 671 669 671 672 669 671 673
672 671 673 671 673 674 671 673 675
671 673 690 674 673 675 674 673 690
675 673 690 673 675 676 673 675 677
673 675 678 676 675 677 676 675 678
677 675 678 675 678 679 675 678 686
679 678 686 678 679 680 678 679 681
680 679 681 679 681 682 679 681 683
682 681 683 681 683 684 681 683 688
684 683 688 683 684 685 678 686 687
678 686 688 687 686 688 683 688 686
683 688 689 686 688 689 673 690 691
673 690 692 691 690 692 690 692 693
690 692 694 693 692 694 692 694 695
692 694 696 692 694 702 695 694 696
695 694 702 696 694 702 694 696 697
694 696 698 694 696 699 697 696 698
697 696 699 698 696 699 696 699 700
696 699 701 700 699 701 694 702 703
694 702 704 703 702 704 702 704 705
702 704 706 705 704 706 704 706 707
704 706 708 704 706 714 707 706 708
707 706 714 708 706 714 706 708 709
706 708 710 706 708 711 709 708 710
709 708 711 710 708 711 708 711 712
708 711 713 712 711 713 706 714 715
706 714 716 715 714 716 714 716 717
714 716 718 717 716 718 716 718 719
716 718 720 716 718 724 719 718 720
719 718 724 720 718 724 718 720 721
718 720 722 718 720 723 721 720 722
721 720 723 722 720 723 718 724 725
718 724 726 725 724 726 724 726 727
724 726 728 727 726 728 726 728 729
726 728 730 726 728 738 729 728 730
729 728 738 730 728 738 728 730 731
728 730 732 728 730 734 731 730 732
731 730 734 732 730 734 730 732 733
730 734 735 730 734 736 730 734 737
735 734 736 735 734 737 736 734 737
728 738 739 728 738 740 739 738 740
738 740 741 738 740 742 741 740 742
740 742 743 740 742 744 740 742 760
743 742 744 743 742 760 744 742 760
742 744 745 742 744 746 742 744 747
745 744 746 745 744 747 746 744 747
744 747 748 744 747 749 744 747 750
748 747 749 748 747 750 749 747 750
747 750 751 747 750 752 747 750 753
751 750 752 751 750 753 752 750 753
750 753 754 750 753 755 750 753 756
754 753 755 754 753 756 755 753 756
753 756 757 753 756 758 753 756 759
757 756 758 757 756 759 758 756 759
742 760 761 742 760 762 761 760 762
760 762 763 760 762 764 763 762 764
762 764 765 762 764 766 762 764 774
765 764 766 765 764 774 766 764 774
764 766 767 764 766 768 764 766 770
767 766 768 767 766 770 768 766 770
766 768 769 766 770 771 766 770 772
766 770 773 771 770 772 771 770 773
772 770 773 764 774 775 764 774 776
775 774 776 774 776 777 774 776 778
777 776 778 776 778 779 776 778 780
776 778 794 779 778 780 779 778 794
780 778 794 778 780 781 778 780 782
778 780 783 781 780 782 781 780 783
782 780 783 780 783 784 780 783 790
784 783 790 783 784 785 783 784 786
785 784 786 784 786 787 784 786 788
787 786 788 786 788 789 786 788 792
789 788 792 783 790 791 783 790 792
791 790 792 788 792 790 788 792 793
790 792 793 778 794 795 778 794 796
795 794 796 794 796 797 794 796 798
797 796 798 796 798 799 796 798 800
796 798 808 799 798 800 799 798 808
800 798 808 798 800 801 798 800 802
798 800 804 801 800 802 801 800 804
802 800 804 800 802 803 800 804 805
800 804 806 800 804 807 805 804 806
805 804 807 806 804 807 798 808 809
798 808 810 809 808 810 808 810 811
808 810 812 811 810 812 810 812 813
810 812 814 810 812 824 813 812 814
813 812 824 814 812 824 812 814 815
812 814 816 812 814 820 815 814 816
815 814 820 816 814 820 814 816 817
814 816 818 814 816 819 817 816 818
817 816 819 818 816 819 814 820 821
814 820 822 814 820 823 821 820 822
821 820 823 822 820 823 812 824 825
812 824 826 825 824 826 824 826 827
824 826 828 827 826 828 826 828 829
826 828 830 826 828 838 829 828 830
829 828 838 830 828 838 828 830 831
828 830 832 828 830 834 831 830 832
831 830 834 832 830 834 830 832 833
830 834 835 830 834 836 830 834 837
835 834 836 835 834 837 836 834 837
828 838 839 828 838 840 839 838 840
838 840 841 838 840 842 841 840 842
840 842 843 840 842 844 840 842 853
843 842 844 843 842 853 844 842 853
842 844 845 842 844 846 842 844 847
845 844 846 845 844 847 846 844 847
844 847 848 844 847 849 844 847 850
848 847 849 848 847 850 849 847 850
847 850 851 847 850 852 851 850 852
842 853 854 842 853 855 854 853 855
2262 !NPHI: dihedrals
1 5 7 8 1 5 7 9
1 5 7 10 1 5 18 19
1 5 18 20 2 1 5 6
2 1 5 7 2 1 5 18
3 1 5 6 3 1 5 7
3 1 5 18 4 1 5 6
4 1 5 7 4 1 5 18
5 7 10 11 5 7 10 12
5 7 10 13 5 18 20 21
5 18 20 22 6 5 7 8
6 5 7 9 6 5 7 10
6 5 18 19 6 5 18 20
7 5 18 19 7 5 18 20
7 10 13 14 8 7 5 18
8 7 10 11 8 7 10 12
8 7 10 13 9 7 5 18
9 7 10 11 9 7 10 12
9 7 10 13 10 7 5 18
10 13 14 15 10 13 14 16
10 13 14 17 11 10 13 14
12 10 13 14 18 20 22 23
18 20 22 24 18 20 22 32
19 18 20 21 19 18 20 22
20 22 24 25 20 22 24 26
20 22 24 28 20 22 32 33
20 22 32 34 21 20 22 23
21 20 22 24 21 20 22 32
22 24 26 27 22 24 28 29
22 24 28 30 22 24 28 31
22 32 34 35 22 32 34 36
23 22 24 25 23 22 24 26
23 22 24 28 23 22 32 33
23 22 32 34 24 22 32 33
24 22 32 34 25 24 22 32
25 24 26 27 25 24 28 29
25 24 28 30 25 24 28 31
26 24 22 32 26 24 28 29
26 24 28 30 26 24 28 31
27 26 24 28 28 24 22 32
32 34 36 37 32 34 36 38
32 34 36 53 33 32 34 35
33 32 34 36 34 36 38 39
34 36 38 40 34 36 38 41
34 36 53 54 34 36 53 55
35 34 36 37 35 34 36 38
35 34 36 53 36 38 41 42
36 38 41 49 36 53 55 56
36 53 55 57 37 36 38 39
37 36 38 40 37 36 38 41
37 36 53 54 37 36 53 55
38 36 53 54 38 36 53 55
38 41 42 43 38 41 42 44
38 41 49 50 38 41 49 51
39 38 36 53 39 38 41 42
39 38 41 49 40 38 36 53
40 38 41 42 40 38 41 49
41 38 36 53 41 42 44 45
41 42 44 46 41 49 51 46
41 49 51 52 42 41 49 50
42 41 49 51 42 44 46 47
42 44 46 51 43 42 41 49
43 42 44 45 43 42 44 46
44 42 41 49 44 46 47 48
44 46 51 49 44 46 51 52
45 44 46 47 45 44 46 51
46 51 49 50 47 46 51 49
47 46 51 52 48 47 46 51
50 49 51 52 53 55 57 58
53 55 57 59 53 55 57 75
54 53 55 56 54 53 55 57
55 57 59 60 55 57 59 61
55 57 59 62 55 57 75 76
55 57 75 77 56 55 57 58
56 55 57 59 56 55 57 75
57 59 62 63 57 59 62 64
57 59 62 65 57 75 77 78
57 75 77 79 58 57 59 60
58 57 59 61 58 57 59 62
58 57 75 76 58 57 75 77
59 57 75 76 59 57 75 77
59 62 65 66 59 62 65 67
59 62 65 68 60 59 57 75
60 59 62 63 60 59 62 64
60 59 62 65 61 59 57 75
61 59 62 63 61 59 62 64
61 59 62 65 62 59 57 75
62 65 68 69 62 65 68 70
62 65 68 71 63 62 65 66
63 62 65 67 63 62 65 68
64 62 65 66 64 62 65 67
64 62 65 68 65 68 71 72
65 68 71 73 65 68 71 74
66 65 68 69 66 65 68 70
66 65 68 71 67 65 68 69
67 65 68 70 67 65 68 71
69 68 71 72 69 68 71 73
69 68 71 74 70 68 71 72
70 68 71 73 70 68 71 74
75 77 79 80 75 77 79 81
75 77 79 94 76 75 77 78
76 75 77 79 77 79 81 82
77 79 81 83 77 79 81 84
77 79 94 95 77 79 94 96
78 77 79 80 78 77 79 81
78 77 79 94 79 81 84 85
79 81 84 86 79 81 84 90
79 94 96 97 79 94 96 98
80 79 81 82 80 79 81 83
80 79 81 84 80 79 94 95
80 79 94 96 81 79 94 95
81 79 94 96 81 84 86 87
81 84 86 88 81 84 86 89
81 84 90 91 81 84 90 92
81 84 90 93 82 81 79 94
82 81 84 85 82 81 84 86
82 81 84 90 83 81 79 94
83 81 84 85 83 81 84 86
83 81 84 90 84 81 79 94
85 84 86 87 85 84 86 88
85 84 86 89 85 84 90 91
85 84 90 92 85 84 90 93
86 84 90 91 86 84 90 92
86 84 90 93 87 86 84 90
88 86 84 90 89 86 84 90
94 96 98 99 94 96 98 100
94 96 98 113 95 94 96 97
95 94 96 98 96 98 100 101
96 98 100 102 96 98 100 106
96 98 113 114 96 98 113 115
97 96 98 99 97 96 98 100
97 96 98 113 98 100 102 103
98 100 102 104 98 100 102 105
98 100 106 107 98 100 106 108
98 100 106 109 98 113 115 116
98 113 115 117 99 98 100 101
99 98 100 102 99 98 100 106
99 98 113 114 99 98 113 115
100 98 113 114 100 98 113 115
100 106 109 110 100 106 109 111
100 106 109 112 101 100 98 113
101 100 102 103 101 100 102 104
101 100 102 105 101 100 106 107
101 100 106 108 101 100 106 109
102 100 98 113 102 100 106 107
102 100 106 108 102 100 106 109
103 102 100 106 104 102 100 106
105 102 100 106 106 100 98 113
107 106 109 110 107 106 109 111
107 106 109 112 108 106 109 110
108 106 109 111 108 106 109 112
113 115 117 118 113 115 117 119
113 115 117 132 114 113 115 116
114 113 115 117 115 117 119 120
115 117 119 121 115 117 119 122
115 117 132 133 115 117 132 134
116 115 117 118 116 115 117 119
116 115 117 132 117 119 122 123
117 119 122 124 117 119 122 128
117 132 134 135 117 132 134 136
118 117 119 120 118 117 119 121
118 117 119 122 118 117 132 133
118 117 132 134 119 117 132 133
119 117 132 134 119 122 124 125
119 122 124 126 119 122 124 127
119 122 128 129 119 122 128 130
119 122 128 131 120 119 117 132
120 119 122 123 120 119 122 124
120 119 122 128 121 119 117 132
121 119 122 123 121 119 122 124
121 119 122 128 122 119 117 132
123 122 124 125 123 122 124 126
123 122 124 127 123 122 128 129
123 122 128 130 123 122 128 131
124 122 128 129 124 122 128 130
124 122 128 131 125 124 122 128
126 124 122 128 127 124 122 128
132 134 136 137 132 134 136 138
132 134 136 146 133 132 134 135
133 132 134 136 134 136 138 139
134 136 138 140 134 136 138 141
134 136 146 147 134 136 146 148
135 134 136 137 135 134 136 138
135 134 136 146 136 138 141 142
136 138 141 143 136 146 148 149
136 146 148 150 137 136 138 139
137 136 138 140 137 136 138 141
137 136 146 147 137 136 146 148
138 136 146 147 138 136 146 148
138 141 143 144 138 141 143 145
139 138 136 146 139 138 141 142
139 138 141 143 140 138 136 146
140 138 141 142 140 138 141 143
141 138 136 146 142 141 143 144
142 141 143 145 146 148 150 151
146 148 150 152 146 148 150 153
147 146 148 149 147 146 148 150
148 150 153 154 148 150 153 155
149 148 150 151 149 148 150 152
149 148 150 153 150 153 155 156
150 153 155 157 151 150 153 154
151 150 153 155 152 150 153 154
152 150 153 155 153 155 157 158
153 155 157 159 153 155 157 175
154 153 155 156 154 153 155 157
155 157 159 160 155 157 159 161
155 157 159 162 155 157 175 176
155 157 175 177 156 155 157 158
156 155 157 159 156 155 157 175
157 159 162 163 157 159 162 164
157 159 162 165 157 175 177 178
157 175 177 179 158 157 159 160
158 157 159 161 158 157 159 162
158 157 175 176 158 157 175 177
159 157 175 176 159 157 175 177
159 162 165 166 159 162 165 167
159 162 165 168 160 159 157 175
160 159 162 163 160 159 162 164
160 159 162 165 161 159 157 175
161 159 162 163 161 159 162 164
161 159 162 165 162 159 157 175
162 165 168 169 162 165 168 170
162 165 168 171 163 162 165 166
163 162 165 167 163 162 165 168
164 162 165 166 164 162 165 167
164 162 165 168 165 168 171 172
165 168 171 173 165 168 171 174
166 165 168 169 166 165 168 170
166 165 168 171 167 165 168 169
167 165 168 170 167 165 168 171
169 168 171 172 169 168 171 173
169 168 171 174 170 168 171 172
170 168 171 173 170 168 171 174
175 177 179 180 175 177 179 181
175 177 179 189 176 175 177 178
176 175 177 179 177 179 181 182
177 179 181 183 177 179 181 185
177 179 189 190 177 179 189 191
178 177 179 180 178 177 179 181
178 177 179 189 179 181 183 184
179 181 185 186 179 181 185 187
179 181 185 188 179 189 191 192
179 189 191 193 180 179 181 182
180 179 181 183 180 179 181 185
180 179 189 190 180 179 189 191
181 179 189 190 181 179 189 191
182 181 179 189 182 181 183 184
182 181 185 186 182 181 185 187
182 181 185 188 183 181 179 189
183 181 185 186 183 181 185 187
183 181 185 188 184 183 181 185
185 181 179 189 189 191 193 194
189 191 193 195 189 191 193 208
190 189 191 192 190 189 191 193
191 193 195 196 191 193 195 197
191 193 195 198 191 193 208 209
191 193 208 210 192 191 193 194
192 191 193 195 192 191 193 208
193 195 198 199 193 195 198 200
193 195 198 204 193 208 210 211
193 208 210 212 194 193 195 196
194 193 195 197 194 193 195 198
194 193 208 209 194 193 208 210
195 193 208 209 195 193 208 210
195 198 200 201 195 198 200 202
195 198 200 203 195 198 204 205
195 198 204 206 195 198 204 207
196 195 193 208 196 195 198 199
196 195 198 200 196 195 198 204
197 195 193 208 197 195 198 199
197 195 198 200 197 195 198 204
198 195 193 208 199 198 200 201
199 198 200 202 199 198 200 203
199 198 204 205 199 198 204 206
199 198 204 207 200 198 204 205
200 198 204 206 200 198 204 207
201 200 198 204 202 200 198 204
203 200 198 204 208 210 212 213
208 210 212 214 208 210 212 230
209 208 210 211 209 208 210 212
210 212 214 215 210 212 214 216
210 212 214 217 210 212 230 231
210 212 230 232 211 210 212 213
211 210 212 214 211 210 212 230
212 214 217 218 212 214 217 219
212 214 217 220 212 230 232 233
212 230 232 234 213 212 214 215
213 212 214 216 213 212 214 217
213 212 230 231 213 212 230 232
214 212 230 231 214 212 230 232
214 217 220 221 214 217 220 222
214 217 220 223 215 214 212 230
215 214 217 218 215 214 217 219
215 214 217 220 216 214 212 230
216 214 217 218 216 214 217 219
216 214 217 220 217 214 212 230
217 220 223 224 217 220 223 225
217 220 223 226 218 217 220 221
218 217 220 222 218 217 220 223
219 217 220 221 219 217 220 222
219 217 220 223 220 223 226 227
220 223 226 228 220 223 226 229
221 220 223 224 221 220 223 225
221 220 223 226 222 220 223 224
222 220 223 225 222 220 223 226
224 223 226 227 224 223 226 228
224 223 226 229 225 223 226 227
225 223 226 228 225 223 226 229
230 232 234 235 230 232 234 236
230 232 234 237 231 230 232 233
231 230 232 234 232 234 237 238
232 234 237 239 233 232 234 235
233 232 234 236 233 232 234 237
234 237 239 240 234 237 239 241
235 234 237 238 235 234 237 239
236 234 237 238 236 234 237 239
237 239 241 242 237 239 241 243
237 239 241 252 238 237 239 240
238 237 239 241 239 241 243 244
239 241 243 245 239 241 243 246
239 241 252 253 239 241 252 254
240 239 241 242 240 239 241 243
240 239 241 252 241 243 246 247
241 243 246 248 241 243 246 249
241 252 254 255 241 252 254 256
242 241 243 244 242 241 243 245
242 241 243 246 242 241 252 253
242 241 252 254 243 241 252 253
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761 760 762 763 761 760 762 764
762 764 766 767 762 764 766 768
762 764 766 770 762 764 774 775
762 764 774 776 763 762 764 765
763 762 764 766 763 762 764 774
764 766 768 769 764 766 770 771
764 766 770 772 764 766 770 773
764 774 776 777 764 774 776 778
765 764 766 767 765 764 766 768
765 764 766 770 765 764 774 775
765 764 774 776 766 764 774 775
766 764 774 776 767 766 764 774
767 766 768 769 767 766 770 771
767 766 770 772 767 766 770 773
768 766 764 774 768 766 770 771
768 766 770 772 768 766 770 773
769 768 766 770 770 766 764 774
774 776 778 779 774 776 778 780
774 776 778 794 775 774 776 777
775 774 776 778 776 778 780 781
776 778 780 782 776 778 780 783
776 778 794 795 776 778 794 796
777 776 778 779 777 776 778 780
777 776 778 794 778 780 783 784
778 780 783 790 778 794 796 797
778 794 796 798 779 778 780 781
779 778 780 782 779 778 780 783
779 778 794 795 779 778 794 796
780 778 794 795 780 778 794 796
780 783 784 785 780 783 784 786
780 783 790 791 780 783 790 792
781 780 778 794 781 780 783 784
781 780 783 790 782 780 778 794
782 780 783 784 782 780 783 790
783 780 778 794 783 784 786 787
783 784 786 788 783 790 792 788
783 790 792 793 784 783 790 791
784 783 790 792 784 786 788 789
784 786 788 792 785 784 783 790
785 784 786 787 785 784 786 788
786 784 783 790 786 788 792 790
786 788 792 793 787 786 788 789
787 786 788 792 788 792 790 791
789 788 792 790 789 788 792 793
791 790 792 793 794 796 798 799
794 796 798 800 794 796 798 808
795 794 796 797 795 794 796 798
796 798 800 801 796 798 800 802
796 798 800 804 796 798 808 809
796 798 808 810 797 796 798 799
797 796 798 800 797 796 798 808
798 800 802 803 798 800 804 805
798 800 804 806 798 800 804 807
798 808 810 811 798 808 810 812
799 798 800 801 799 798 800 802
799 798 800 804 799 798 808 809
799 798 808 810 800 798 808 809
800 798 808 810 801 800 798 808
801 800 802 803 801 800 804 805
801 800 804 806 801 800 804 807
802 800 798 808 802 800 804 805
802 800 804 806 802 800 804 807
803 802 800 804 804 800 798 808
808 810 812 813 808 810 812 814
808 810 812 824 809 808 810 811
809 808 810 812 810 812 814 815
810 812 814 816 810 812 814 820
810 812 824 825 810 812 824 826
811 810 812 813 811 810 812 814
811 810 812 824 812 814 816 817
812 814 816 818 812 814 816 819
812 814 820 821 812 814 820 822
812 814 820 823 812 824 826 827
812 824 826 828 813 812 814 815
813 812 814 816 813 812 814 820
813 812 824 825 813 812 824 826
814 812 824 825 814 812 824 826
815 814 812 824 815 814 816 817
815 814 816 818 815 814 816 819
815 814 820 821 815 814 820 822
815 814 820 823 816 814 812 824
816 814 820 821 816 814 820 822
816 814 820 823 817 816 814 820
818 816 814 820 819 816 814 820
820 814 812 824 824 826 828 829
824 826 828 830 824 826 828 838
825 824 826 827 825 824 826 828
826 828 830 831 826 828 830 832
826 828 830 834 826 828 838 839
826 828 838 840 827 826 828 829
827 826 828 830 827 826 828 838
828 830 832 833 828 830 834 835
828 830 834 836 828 830 834 837
828 838 840 841 828 838 840 842
829 828 830 831 829 828 830 832
829 828 830 834 829 828 838 839
829 828 838 840 830 828 838 839
830 828 838 840 831 830 828 838
831 830 832 833 831 830 834 835
831 830 834 836 831 830 834 837
832 830 828 838 832 830 834 835
832 830 834 836 832 830 834 837
833 832 830 834 834 830 828 838
838 840 842 843 838 840 842 844
838 840 842 853 839 838 840 841
839 838 840 842 840 842 844 845
840 842 844 846 840 842 844 847
840 842 853 854 840 842 853 855
841 840 842 843 841 840 842 844
841 840 842 853 842 844 847 848
842 844 847 849 842 844 847 850
843 842 844 845 843 842 844 846
843 842 844 847 843 842 853 854
843 842 853 855 844 842 853 854
844 842 853 855 844 847 850 851
844 847 850 852 845 844 842 853
845 844 847 848 845 844 847 849
845 844 847 850 846 844 842 853
846 844 847 848 846 844 847 849
846 844 847 850 847 844 842 853
848 847 850 851 848 847 850 852
849 847 850 851 849 847 850 852
137 !NIMPHI: impropers
18 5 20 19 20 18 22 21
32 22 34 33 34 32 36 35
53 36 55 54 55 53 57 56
75 57 77 76 77 75 79 78
94 79 96 95 96 94 98 97
113 98 115 114 115 113 117 116
132 117 134 133 134 132 136 135
146 136 148 147 141 143 138 142
141 138 143 142 143 141 144 145
143 141 145 144 148 146 150 149
153 150 155 154 155 153 157 156
175 157 177 176 177 175 179 178
189 179 191 190 191 189 193 192
208 193 210 209 210 208 212 211
230 212 232 231 232 230 234 233
237 234 239 238 239 237 241 240
252 241 254 253 249 246 251 250
254 252 256 255 266 256 268 267
268 266 270 269 280 270 282 281
282 280 284 283 294 284 296 295
296 294 298 297 309 298 311 310
306 303 308 307 311 309 313 312
319 313 321 320 321 319 323 322
335 323 337 336 337 335 339 338
347 339 349 348 344 341 346 345
349 347 351 350 357 351 359 358
359 357 361 360 367 361 369 368
369 367 371 370 381 371 383 382
383 381 385 384 391 385 393 392
393 391 395 394 406 395 408 407
403 400 405 404 408 406 410 409
428 410 430 429 430 428 432 431
444 432 446 445 446 444 448 447
464 448 466 465 466 464 468 467
486 468 488 487 488 486 490 489
503 490 505 504 498 500 495 499
498 495 500 499 500 498 501 502
500 498 502 501 505 503 507 506
524 507 526 525 526 524 528 527
534 528 536 535 536 534 538 537
548 538 550 549 543 545 540 544
543 540 545 544 545 543 546 547
545 543 547 546 550 548 552 551
560 552 562 561 557 554 559 558
562 560 564 563 574 564 576 575
569 571 566 570 569 566 571 570
571 569 572 573 571 569 573 572
576 574 578 577 581 578 583 582
583 581 585 584 597 585 599 598
599 597 601 600 609 601 611 610
606 603 608 607 611 609 613 612
616 613 618 617 618 616 620 619
631 620 633 632 628 625 630 629
633 631 635 634 655 635 657 656
657 655 659 658 669 659 671 670
671 669 673 672 690 673 692 691
692 690 694 693 702 694 704 703
699 696 701 700 704 702 706 705
714 706 716 715 711 708 713 712
716 714 718 717 724 718 726 725
726 724 728 727 738 728 740 739
740 738 742 741 760 742 762 761
762 760 764 763 774 764 776 775
776 774 778 777 794 778 796 795
796 794 798 797 808 798 810 809
810 808 812 811 824 812 826 825
826 824 828 827 838 828 840 839
840 838 842 841 850 847 852 851
853 842 855 854
99 !NDON: donors
1 2 1 3 1 4 20 21
26 27 34 35 47 48 55 56
71 72 71 73 71 74 77 78
96 97 115 116 134 135 143 144
143 145 148 149 155 156 171 172
171 173 171 174 177 178 183 184
191 192 210 211 226 227 226 228
226 229 232 233 239 240 254 255
260 261 268 269 274 275 282 283
288 289 296 297 311 312 321 322
337 338 349 350 359 360 369 370
375 376 383 384 393 394 408 409
424 425 424 426 424 427 430 431
446 447 466 467 482 483 482 484
482 485 488 489 500 501 500 502
505 506 518 519 526 527 536 537
545 546 545 547 550 551 562 563
571 572 571 573 576 577 583 584
599 600 611 612 618 619 633 634
643 644 657 658 663 664 671 672
684 685 692 693 704 705 716 717
726 727 732 733 740 741 756 757
756 758 756 759 762 763 768 769
776 777 796 797 802 803 810 811
826 827 832 833 840 841
95 !NACC: acceptors
19 18 26 0 33 32 47 0
54 53 76 75 95 94 114 113
133 132 142 141 147 146 154 153
176 175 183 0 190 189 209 208
231 230 238 237 250 249 251 249
253 252 260 0 267 266 274 0
281 280 288 0 295 294 307 306
308 306 310 309 320 319 336 335
345 344 346 344 348 347 358 357
368 367 375 0 382 381 392 391
404 403 405 403 407 406 429 428
445 444 465 464 487 486 499 498
504 503 518 0 525 524 535 534
544 543 549 548 558 557 559 557
561 560 570 569 575 574 582 581
598 597 607 606 608 606 610 609
617 616 629 628 630 628 632 631
656 655 663 0 670 669 684 0
691 690 700 699 701 699 703 702
712 711 713 711 715 714 725 724
732 0 739 738 761 760 768 0
775 774 795 794 802 0 809 808
825 824 832 0 839 838 851 850
852 850 854 853 855 853
0 !NNB
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0
259 0 !NGRP NST2
0 2 0 6 1 0 9 1 0
17 1 0 19 1 0 23 1 0
27 1 0 31 1 0 33 1 0
37 1 0 40 0 0 41 1 0
43 1 0 45 1 0 48 1 0
50 1 0 52 1 0 54 1 0
58 1 0 61 1 0 64 1 0
67 2 0 74 1 0 76 1 0
80 1 0 83 1 0 85 1 0
89 1 0 93 1 0 95 1 0
99 1 0 101 1 0 105 1 0
108 1 0 112 1 0 114 1 0
118 1 0 121 1 0 123 1 0
127 1 0 131 1 0 133 1 0
137 1 0 140 1 0 142 1 0
145 1 0 147 1 0 152 1 0
154 1 0 158 1 0 161 1 0
164 1 0 167 2 0 174 1 0
176 1 0 180 1 0 184 1 0
188 1 0 190 1 0 194 1 0
197 1 0 199 1 0 203 1 0
207 1 0 209 1 0 213 1 0
216 1 0 219 1 0 222 2 0
229 1 0 231 1 0 236 1 0
238 1 0 242 1 0 245 2 0
251 1 0 253 1 0 257 1 0
261 1 0 265 1 0 267 1 0
271 1 0 275 1 0 279 1 0
281 1 0 285 1 0 289 1 0
293 1 0 295 1 0 299 1 0
302 2 0 308 1 0 310 1 0
314 1 0 318 1 0 320 1 0
324 1 0 326 1 0 330 1 0
334 1 0 336 1 0 340 2 0
346 1 0 348 1 0 352 1 0
356 1 0 358 1 0 362 1 0
366 1 0 368 1 0 372 1 0
376 1 0 380 1 0 382 1 0
386 1 0 390 1 0 392 1 0
396 1 0 399 2 0 405 1 0
407 1 0 411 1 0 414 1 0
417 1 0 420 2 0 427 1 0
429 1 0 433 1 0 435 1 0
439 1 0 443 1 0 445 1 0
449 1 0 452 0 0 453 1 0
455 1 0 457 1 0 459 1 0
461 1 0 463 1 0 465 1 0
469 1 0 472 1 0 475 1 0
478 2 0 485 1 0 487 1 0
491 1 0 494 1 0 497 1 0
499 1 0 502 1 0 504 1 0
508 1 0 511 0 0 512 1 0
514 1 0 516 1 0 519 1 0
521 1 0 523 1 0 525 1 0
529 1 0 533 1 0 535 1 0
539 1 0 542 1 0 544 1 0
547 1 0 549 1 0 553 2 0
559 1 0 561 1 0 565 1 0
568 1 0 570 1 0 573 1 0
575 1 0 580 1 0 582 1 0
586 1 0 588 1 0 592 1 0
596 1 0 598 1 0 602 2 0
608 1 0 610 1 0 615 1 0
617 1 0 621 1 0 624 2 0
630 1 0 632 1 0 636 1 0
639 1 0 654 1 0 656 1 0
660 1 0 664 1 0 668 1 0
670 1 0 674 1 0 677 0 0
678 1 0 680 1 0 682 1 0
685 1 0 687 1 0 689 1 0
691 1 0 695 2 0 701 1 0
703 1 0 707 2 0 713 1 0
715 1 0 719 1 0 723 1 0
725 1 0 729 1 0 733 1 0
737 1 0 739 1 0 743 1 0
746 1 0 749 1 0 752 2 0
759 1 0 761 1 0 765 1 0
769 1 0 773 1 0 775 1 0
779 1 0 782 0 0 783 1 0
785 1 0 787 1 0 789 1 0
791 1 0 793 1 0 795 1 0
799 1 0 803 1 0 807 1 0
809 1 0 813 1 0 815 1 0
819 1 0 823 1 0 825 1 0
829 1 0 833 1 0 837 1 0
839 1 0 843 1 0 846 2 0
852 2 0
1 !MOLNT
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1
0 0 !NUMLP NUMLPH
54 !NCRTERM: cross-terms
18 20 22 32 20 22 32 34
32 34 36 53 34 36 53 55
53 55 57 75 55 57 75 77
75 77 79 94 77 79 94 96
94 96 98 113 96 98 113 115
113 115 117 132 115 117 132 134
132 134 136 146 134 136 146 148
146 148 150 153 148 150 153 155
153 155 157 175 155 157 175 177
175 177 179 189 177 179 189 191
189 191 193 208 191 193 208 210
208 210 212 230 210 212 230 232
230 232 234 237 232 234 237 239
237 239 241 252 239 241 252 254
252 254 256 266 254 256 266 268
266 268 270 280 268 270 280 282
280 282 284 294 282 284 294 296
294 296 298 309 296 298 309 311
309 311 313 319 311 313 319 321
319 321 323 335 321 323 335 337
335 337 339 347 337 339 347 349
347 349 351 357 349 351 357 359
357 359 361 367 359 361 367 369
367 369 371 381 369 371 381 383
381 383 385 391 383 385 391 393
391 393 395 406 393 395 406 408
406 408 410 428 408 410 428 430
428 430 432 444 430 432 444 446
444 446 448 464 446 448 464 466
464 466 468 486 466 468 486 488
486 488 490 503 488 490 503 505
503 505 507 524 505 507 524 526
524 526 528 534 526 528 534 536
534 536 538 548 536 538 548 550
548 550 552 560 550 552 560 562
560 562 564 574 562 564 574 576
574 576 578 581 576 578 581 583
581 583 585 597 583 585 597 599
597 599 601 609 599 601 609 611
609 611 613 616 611 613 616 618
616 618 620 631 618 620 631 633
631 633 635 655 633 635 655 657
655 657 659 669 657 659 669 671
669 671 673 690 671 673 690 692
690 692 694 702 692 694 702 704
702 704 706 714 704 706 714 716
714 716 718 724 716 718 724 726
724 726 728 738 726 728 738 740
738 740 742 760 740 742 760 762
760 762 764 774 762 764 774 776
774 776 778 794 776 778 794 796
794 796 798 808 796 798 808 810
808 810 812 824 810 812 824 826
824 826 828 838 826 828 838 840
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