1 | #ala 10 9
|
---|
2 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
3 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
4 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 9
|
---|
5 | ha 1.09 107.73 -61.698 .02 1 3 0 0 0
|
---|
6 | cb 1.53 109.5 56.472 -.09 7 3 6 7 8
|
---|
7 | hb1 1.09 109.47 4*x1 180. .04 1 5 0 0 0
|
---|
8 | hb2 1.09 109.47 -60. .04 1 5 0 0 0
|
---|
9 | hb3 1.09 109.47 60. .04 1 5 0 0 0
|
---|
10 | c 1.53 109.3 2*phi 180. .45 8 3 -10 0 0
|
---|
11 | o 1.23 120.5 180. -.384 11 -9 0 0 0
|
---|
12 | #arg 23 22
|
---|
13 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
14 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
15 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 22
|
---|
16 | ha 1.09 104.813 -60.35 .02 1 3 0 0 0
|
---|
17 | cb 1.53 111.1 58.763 -.03 7 3 6 7 8
|
---|
18 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
---|
19 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
---|
20 | cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11
|
---|
21 | hg1 1.09 109.689 -58.624 .03 1 8 0 0 0
|
---|
22 | hg2 1.09 109.689 58.624 .03 1 8 0 0 0
|
---|
23 | cd 1.53 111. 4*x2 180. .1 7 8 12 13 14
|
---|
24 | hd1 1.09 109.949 -58.778 .01 1 11 0 0 0
|
---|
25 | hd2 1.09 109.949 58.778 .01 1 11 0 0 0
|
---|
26 | ne 1.48 110. 4*x3 180. -.35 13 11 15 16 0
|
---|
27 | he 1. 117.95 0. .17 4 14 0 0 0
|
---|
28 | cz 1.35 124.1 8*x4 180. .48 9 14 -17 19 0
|
---|
29 | nh1 1.32 119. 17*x5 0. -.42 15 -16 18 0 0
|
---|
30 | hh1 1. 124. 180. .09 3 17 0 0 0
|
---|
31 | nh2 1.35 120.5 180. -.41 14 16 20 21 0
|
---|
32 | hh21 1. 120. 18*x6 180. .16 4 19 0 0 0
|
---|
33 | hh22 1. 120. 0. .16 4 19 0 0 0
|
---|
34 | c 1.53 110.3 2*phi 180. .45 8 3 -23 0 0
|
---|
35 | o 1.23 120.5 180. -.384 11 -22 0 0 0
|
---|
36 | #arg+ 24 23
|
---|
37 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
38 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
39 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
|
---|
40 | ha 1.09 104.813 -60.35 .02 1 3 0 0 0
|
---|
41 | cb 1.53 111.1 58.763 -.03 7 3 6 7 8
|
---|
42 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
---|
43 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
---|
44 | cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11
|
---|
45 | hg1 1.09 109.689 -58.624 .03 1 8 0 0 0
|
---|
46 | hg2 1.09 109.689 58.624 .03 1 8 0 0 0
|
---|
47 | cd 1.53 111. 4*x2 180. .12 7 8 12 13 14
|
---|
48 | hd1 1.09 109.949 -58.778 .01 1 11 0 0 0
|
---|
49 | hd2 1.09 109.949 58.778 .01 1 11 0 0 0
|
---|
50 | ne 1.48 110. 4*x3 180. -.3 13 11 15 16 0
|
---|
51 | he 1. 117.95 0. .23 4 14 0 0 0
|
---|
52 | cz 1.34 124.1 8*x4 180. .58 9 14 -17 -20 0
|
---|
53 | nh1 1.34 120. 17*x5 0. -.39 13 -16 18 19 0
|
---|
54 | hh11 1. 120. 18*x61 180. .28 4 17 0 0 0
|
---|
55 | hh12 1. 120. 0. .28 4 17 0 0 0
|
---|
56 | nh2 1.34 120. 180. -.39 13 -16 21 22 0
|
---|
57 | hh21 1. 120. 18*x62 180. .28 4 20 0 0 0
|
---|
58 | hh22 1. 120. 0. .28 4 20 0 0 0
|
---|
59 | c 1.53 110.3 2*phi 180. .45 8 3 -24 0 0
|
---|
60 | o 1.23 120.5 180. -.384 11 -23 0 0 0
|
---|
61 | #asn 14 13
|
---|
62 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
63 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
64 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
|
---|
65 | ha 1.09 105.311 -58.981 .02 1 3 0 0 0
|
---|
66 | cb 1.53 111. 60.978 -.12 7 3 6 7 8
|
---|
67 | hb1 1.09 109.689 -58.624 .055 1 5 0 0 0
|
---|
68 | hb2 1.09 109.689 58.624 .055 1 5 0 0 0
|
---|
69 | cg 1.53 111. 4*x1 180. .46 8 5 -9 10 0
|
---|
70 | od1 1.22 122. 11*x2 180. -.375 11 -8 0 0 0
|
---|
71 | nd2 1.33 114. 0. -.445 14 8 11 12 0
|
---|
72 | hd21 1. 120. 19*x3 0. .2 4 10 0 0 0
|
---|
73 | hd22 1. 120. 180. .2 4 10 0 0 0
|
---|
74 | c 1.53 109.3 2*phi 180. .45 8 3 -14 0 0
|
---|
75 | o 1.23 120.5 180. -.384 11 -13 0 0 0
|
---|
76 | #asp 13 12
|
---|
77 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
78 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
79 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 12
|
---|
80 | ha 1.09 105.238 -58.978 .02 1 3 0 0 0
|
---|
81 | cb 1.53 111.1 60.917 -.1 7 3 6 7 8
|
---|
82 | hb1 1.09 108.639 -58.033 .06 1 5 0 0 0
|
---|
83 | hb2 1.09 108.639 58.033 .06 1 5 0 0 0
|
---|
84 | cg 1.53 115. 4*x1 180. .5 8 5 -9 10 0
|
---|
85 | od1 1.24 121. 9*x2 180. -.36 11 -8 0 0 0
|
---|
86 | od2 1.29 115. 0. -.35 10 8 11 0 0
|
---|
87 | hd2 1. 110. 16*x3 180. .22 5 10 0 0 0
|
---|
88 | c 1.53 109.3 2*phi 180. .45 8 3 -13 0 0
|
---|
89 | o 1.23 120.5 180. -.384 11 -12 0 0 0
|
---|
90 | #asp- 12 11
|
---|
91 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
92 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
93 | ca 1.453 121. 1*omg 180. -.06 7 1 4 5 11
|
---|
94 | ha 1.09 105.238 -58.978 .024 1 3 0 0 0
|
---|
95 | cb 1.53 111.1 60.917 -.17 7 3 6 7 8
|
---|
96 | hb1 1.09 109.692 -58.622 -.02 1 5 0 0 0
|
---|
97 | hb2 1.09 109.688 58.624 -.02 1 5 0 0 0
|
---|
98 | cg 1.53 115. 4*x1 180. .5 8 5 -9 -10 0
|
---|
99 | od1 1.25 117. 10*x2 180. -.57 12 -8 0 0 0
|
---|
100 | od2 1.25 117. 0. -.57 12 -8 0 0 0
|
---|
101 | c 1.53 109.3 2*phi 180. .45 8 3 -12 0 0
|
---|
102 | o 1.23 120.5 180. -.384 11 -11 0 0 0
|
---|
103 | #cys 11 10
|
---|
104 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
105 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
106 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
|
---|
107 | ha 1.09 106.692 -60.68 .02 1 3 0 0 0
|
---|
108 | cb 1.53 111.7 56.329 -.105 7 3 6 7 8
|
---|
109 | hb1 1.09 109.949 -58.778 .055 1 5 0 0 0
|
---|
110 | hb2 1.09 109.949 58.778 .055 1 5 0 0 0
|
---|
111 | sg 1.83 110. 4*x1 180. .015 16 5 9 0 0
|
---|
112 | hg 1.33 96. 14*x2 180. .01 6 8 0 0 0
|
---|
113 | c 1.53 108.3 2*phi 180. .45 8 3 -11 0 0
|
---|
114 | o 1.23 120.5 180. -.384 11 -10 0 0 0
|
---|
115 | #cyss 10 9
|
---|
116 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
117 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
118 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 9
|
---|
119 | ha 1.09 106.692 -60.68 .02 1 3 0 0 0
|
---|
120 | cb 1.53 111.7 56.329 -.09 7 3 6 7 8
|
---|
121 | hb1 1.09 108.692 -58.061 .055 1 5 0 0 0
|
---|
122 | hb2 1.09 108.692 58.061 .055 1 5 0 0 0
|
---|
123 | sg 1.83 114.8 4*x1 180. .01 16 5 0 0 0
|
---|
124 | c 1.53 108.3 2*phi 180. .45 8 3 -10 0 0
|
---|
125 | o 1.23 120.5 180. -.384 11 -9 0 0 0
|
---|
126 | #gln 17 16
|
---|
127 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
128 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
129 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
---|
130 | ha 1.09 105.412 -61.482 .02 1 3 0 0 0
|
---|
131 | cb 1.53 111. 56.545 -.03 7 3 6 7 8
|
---|
132 | hb1 1.09 109.689 -58.624 .02 1 5 0 0 0
|
---|
133 | hb2 1.09 109.689 58.624 .02 1 5 0 0 0
|
---|
134 | cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11
|
---|
135 | hg1 1.09 109.689 -58.624 .05 1 8 0 0 0
|
---|
136 | hg2 1.09 109.689 58.624 .05 1 8 0 0 0
|
---|
137 | cd 1.53 111. 4*x2 180. .47 8 8 -12 13 0
|
---|
138 | oe1 1.22 122. 11*x3 180. -.38 11 -11 0 0 0
|
---|
139 | ne2 1.33 114. 0. -.43 14 11 14 15 0
|
---|
140 | he21 1. 120. 19*x4 0. .185 4 13 0 0 0
|
---|
141 | he22 1. 120. 180. .185 4 13 0 0 0
|
---|
142 | c 1.53 110.3 2*phi 180. .45 8 3 -17 0 0
|
---|
143 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
---|
144 | #glu 16 15
|
---|
145 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
146 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
147 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
|
---|
148 | ha 1.09 105.412 -61.482 .02 1 3 0 0 0
|
---|
149 | cb 1.53 111. 56.545 -.03 7 3 6 7 8
|
---|
150 | hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
|
---|
151 | hb2 1.09 109.689 58.624 .03 1 5 0 0 0
|
---|
152 | cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11
|
---|
153 | hg1 1.09 109.689 -58.624 .055 1 8 0 0 0
|
---|
154 | hg2 1.09 109.689 58.624 .055 1 8 0 0 0
|
---|
155 | cd 1.53 111. 4*x2 180. .5 8 8 -12 13 0
|
---|
156 | oe1 1.24 120. 9*x3 180. -.36 11 -11 0 0 0
|
---|
157 | oe2 1.29 115. 0. -.35 10 11 14 0 0
|
---|
158 | he2 1. 110. 16*x4 180. .21 5 13 0 0 0
|
---|
159 | c 1.53 110.3 2*phi 180. .45 8 3 -16 0 0
|
---|
160 | o 1.23 120.5 180. -.384 11 -15 0 0 0
|
---|
161 | #glu- 15 14
|
---|
162 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
163 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
164 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 14
|
---|
165 | ha 1.09 105.412 -61.482 .02 1 3 0 0 0
|
---|
166 | cb 1.53 111. 56.545 -.12 7 3 6 7 8
|
---|
167 | hb1 1.09 109.689 -58.624 .02 1 5 0 0 0
|
---|
168 | hb2 1.09 109.689 58.624 .02 1 5 0 0 0
|
---|
169 | cg 1.53 111. 4*x1 180. -.17 7 5 9 10 11
|
---|
170 | hg1 1.09 109.689 -58.624 -.04 1 8 0 0 0
|
---|
171 | hg2 1.09 109.689 58.624 -.04 1 8 0 0 0
|
---|
172 | cd 1.53 111. 4*x2 180. .5 8 8 -12 -13 0
|
---|
173 | oe1 1.25 117. 10*x3 180. -.57 12 -11 0 0 0
|
---|
174 | oe2 1.25 117. 0. -.57 12 -11 0 0 0
|
---|
175 | c 1.53 110.3 2*phi 180. .45 8 3 -15 0 0
|
---|
176 | o 1.23 120.5 180. -.384 11 -14 0 0 0
|
---|
177 | #gly 7 6
|
---|
178 | n 1.325 115. 3*psi 180. -.344 13 0 2 3 0
|
---|
179 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
180 | ca 1.453 121. 1*omg 180. -.008 7 1 4 5 6
|
---|
181 | ha1 1.09 109.689 -58.624 .055 1 3 0 0 0
|
---|
182 | ha2 1.09 109.689 58.624 .055 1 3 0 0 0
|
---|
183 | c 1.53 111. 2*phi 180. .45 8 3 -7 0 0
|
---|
184 | o 1.23 120.5 180. -.384 11 -6 0 0 0
|
---|
185 | #his 17 16
|
---|
186 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
187 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
188 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
---|
189 | ha 1.09 106.677 -62.135 .02 1 3 0 0 0
|
---|
190 | cb 1.53 110.8 54.88 -.04 7 3 6 7 8
|
---|
191 | hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
|
---|
192 | hb2 1.09 108.903 58.177 .015 1 5 0 0 0
|
---|
193 | cg 1.51 114. 4*x1 180. .055 9 5 9 -14 0
|
---|
194 | nd1 1.384 122.8 12*x2 180. -.25 13 8 10 11 0
|
---|
195 | hd1 1. 125.8 0. .15 4 9 0 0 0
|
---|
196 | ce1 1.325 108.4 180. .19 9 9 12 -13 0
|
---|
197 | he1 1.09 126. 180. .02 2 11 0 0 0
|
---|
198 | ne2 1.364 108. 0. -.24 15 -11 14 0 0
|
---|
199 | cd2 1.327 108.8 0. .08 9 13 -8 15 0
|
---|
200 | hd2 1.09 125.8 180. .035 2 14 0 0 0
|
---|
201 | c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0
|
---|
202 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
---|
203 | #hise 17 16
|
---|
204 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
205 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
206 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
---|
207 | ha 1.09 106.677 -62.135 .02 1 3 0 0 0
|
---|
208 | cb 1.53 110.8 54.88 -.075 7 3 6 7 8
|
---|
209 | hb1 1.09 108.903 -58.177 .04 1 5 0 0 0
|
---|
210 | hb2 1.09 108.903 58.177 .04 1 5 0 0 0
|
---|
211 | cg 1.51 114. 4*x1 180. .1 9 5 9 -14 0
|
---|
212 | nd1 1.384 122.8 12*x2 180. -.23 15 8 -10 0 0
|
---|
213 | ce1 1.325 108.4 180. .182 9 -9 11 12 0
|
---|
214 | he1 1.09 126. 180. .01 2 10 0 0 0
|
---|
215 | ne2 1.364 108. 0. -.255 13 10 13 14 0
|
---|
216 | he2 1. 125.6 180. .144 4 12 0 0 0
|
---|
217 | cd2 1.327 108.8 0. .054 9 12 -8 15 0
|
---|
218 | hd2 1.09 125.8 180. .02 2 14 0 0 0
|
---|
219 | c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0
|
---|
220 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
---|
221 | #his+ 18 17
|
---|
222 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
223 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
224 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 17
|
---|
225 | ha 1.09 106.677 -62.135 .02 1 3 0 0 0
|
---|
226 | cb 1.53 110.8 54.88 -.05 7 3 6 7 8
|
---|
227 | hb1 1.09 108.903 -58.177 .065 1 5 0 0 0
|
---|
228 | hb2 1.09 108.903 58.177 .065 1 5 0 0 0
|
---|
229 | cg 1.51 114. 4*x1 180. .015 9 5 9 -15 0
|
---|
230 | nd1 1.384 122.8 12*x2 180. -.2 13 8 10 -11 0
|
---|
231 | hd1 1. 125.8 0. .275 4 9 0 0 0
|
---|
232 | ce1 1.325 108.4 180. .275 9 -9 12 -13 0
|
---|
233 | he1 1.09 126. 180. .15 2 11 0 0 0
|
---|
234 | ne2 1.364 108. 0. -.2 13 -11 14 15 0
|
---|
235 | he2 1. 125.6 180. .265 4 13 0 0 0
|
---|
236 | cd2 1.327 108.8 0. .1 9 13 -8 16 0
|
---|
237 | hd2 1.09 125.8 180. .135 2 15 0 0 0
|
---|
238 | c 1.53 109.6 2*phi 180. .45 8 3 -18 0 0
|
---|
239 | o 1.23 120.5 180. -.384 11 -17 0 0 0
|
---|
240 | #hyp 15 14
|
---|
241 | n 1.36 115. 3*psi 180. -.285 13 0 2 11 0
|
---|
242 | ca 1.453 121. 1*omg 180. .05 7 1 3 4 14
|
---|
243 | ha 1.09 110.124 42.356 .04 1 2 0 0 0
|
---|
244 | cb 1.52 105. 162.578 -.05 7 2 5 6 7
|
---|
245 | hb1 1.09 111.001 139.235 .02 1 4 0 0 0
|
---|
246 | hb2 1.09 111.001 -101.895 .02 1 4 0 0 0
|
---|
247 | cg 1.52 105.9 18.67 .172 7 4 8 9 11
|
---|
248 | hg 1.09 112.058 -137.847 .006 1 7 0 0 0
|
---|
249 | od1 1.49 106. 99.18 -.323 10 7 10 0 0
|
---|
250 | hd1 1. 110. 5*x 122.767 .165 5 9 0 0 0
|
---|
251 | cd2 1.52 107.9 -14.02 .075 7 7 12 13 1
|
---|
252 | hd21 1.09 111.315 124.178 .02 1 11 0 0 0
|
---|
253 | hd22 1.09 111.315 -116.538 .02 1 11 0 0 0
|
---|
254 | c 1.53 111. -75. .455 8 2 -15 0 0
|
---|
255 | o 1.23 120.5 180. -.385 11 -14 0 0 0
|
---|
256 | #ile 19 18
|
---|
257 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
258 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
259 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
|
---|
260 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
261 | cb 1.53 110.5 54.154 -.005 7 3 6 7 11
|
---|
262 | hb 1.09 108.26 -62.625 .025 1 5 0 0 0
|
---|
263 | cg2 1.53 111. 54.749 -.075 7 5 8 9 10
|
---|
264 | hg21 1.09 109.47 4*x22 -60. .025 1 7 0 0 0
|
---|
265 | hg22 1.09 109.47 60. .025 1 7 0 0 0
|
---|
266 | hg23 1.09 109.47 180. .025 1 7 0 0 0
|
---|
267 | cg1 1.53 111. 4*x1 180. -.02 7 5 12 13 14
|
---|
268 | hg11 1.09 109.689 -58.624 .015 1 11 0 0 0
|
---|
269 | hg12 1.09 109.689 58.624 .015 1 11 0 0 0
|
---|
270 | cd1 1.53 111. 4*x21 180. -.075 7 11 15 16 17
|
---|
271 | hd11 1.09 109.47 4*x31 -60. .025 1 14 0 0 0
|
---|
272 | hd12 1.09 109.47 60. .025 1 14 0 0 0
|
---|
273 | hd13 1.09 109.47 180. .025 1 14 0 0 0
|
---|
274 | c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
|
---|
275 | o 1.23 120.5 180. -.384 11 -18 0 0 0
|
---|
276 | #leu 19 18
|
---|
277 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
278 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
279 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
|
---|
280 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
281 | cb 1.53 110.5 54.154 -.03 7 3 6 7 8
|
---|
282 | hb1 1.09 108.373 -57.891 .022 1 5 0 0 0
|
---|
283 | hb2 1.09 108.373 57.891 .022 1 5 0 0 0
|
---|
284 | cg 1.53 116. 4*x1 180. -.011 7 5 9 10 14
|
---|
285 | hg 1.09 108.26 62.625 .025 1 8 0 0 0
|
---|
286 | cd1 1.53 111. 4*x2 180. -.074 7 8 11 12 13
|
---|
287 | hd11 1.09 109.47 4*x31 -60. .025 1 10 0 0 0
|
---|
288 | hd12 1.09 109.47 60. .025 1 10 0 0 0
|
---|
289 | hd13 1.09 109.47 180. .025 1 10 0 0 0
|
---|
290 | cd2 1.53 111. -54.749 -.074 7 8 15 16 17
|
---|
291 | hd21 1.09 109.47 4*x32 -60. .025 1 14 0 0 0
|
---|
292 | hd22 1.09 109.47 60. .025 1 14 0 0 0
|
---|
293 | hd23 1.09 109.47 180. .025 1 14 0 0 0
|
---|
294 | c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
|
---|
295 | o 1.23 120.5 180. -.384 11 -18 0 0 0
|
---|
296 | #lys 21 20
|
---|
297 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
298 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
299 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
|
---|
300 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
301 | cb 1.53 110.5 54.154 -.03 7 3 6 7 8
|
---|
302 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
---|
303 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
---|
304 | cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
|
---|
305 | hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
|
---|
306 | hg2 1.09 109.689 58.624 .02 1 8 0 0 0
|
---|
307 | cd 1.53 111. 4*x2 180. -.03 7 8 12 13 14
|
---|
308 | hd1 1.09 109.689 -58.624 .02 1 11 0 0 0
|
---|
309 | hd2 1.09 109.689 58.624 .02 1 11 0 0 0
|
---|
310 | ce 1.53 111. 4*x3 180. .11 7 11 15 16 17
|
---|
311 | he1 1.09 109.819 -58.701 -.005 1 14 0 0 0
|
---|
312 | he2 1.09 109.819 58.701 -.005 1 14 0 0 0
|
---|
313 | nz 1.48 110.5 4*x4 180. -.395 14 14 18 19 0
|
---|
314 | hz1 1.014 112. 6*x5 180. .15 3 17 0 0 0
|
---|
315 | hz2 1.014 112. -60. .15 3 17 0 0 0
|
---|
316 | c 1.53 109.3 2*phi 180. .45 8 3 -21 0 0
|
---|
317 | o 1.23 120.5 180. -.384 11 -20 0 0 0
|
---|
318 | #lys+ 22 21
|
---|
319 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
320 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
321 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 21
|
---|
322 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
323 | cb 1.53 110.5 54.154 -.03 7 3 6 7 8
|
---|
324 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
---|
325 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
---|
326 | cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
|
---|
327 | hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
|
---|
328 | hg2 1.09 109.689 58.624 .02 1 8 0 0 0
|
---|
329 | cd 1.53 111. 4*x2 180. -.115 7 8 12 13 14
|
---|
330 | hd1 1.09 109.689 -58.624 .1 1 11 0 0 0
|
---|
331 | hd2 1.09 109.689 58.624 .1 1 11 0 0 0
|
---|
332 | ce 1.53 111. 4*x3 180. .05 7 11 15 16 17
|
---|
333 | he1 1.09 109.819 -58.701 .12 1 14 0 0 0
|
---|
334 | he2 1.09 109.819 58.701 .12 1 14 0 0 0
|
---|
335 | nz 1.48 110.5 4*x4 180. -.32 13 14 18 19 20
|
---|
336 | hz1 1.014 109.47 7*x5 180. .32 3 17 0 0 0
|
---|
337 | hz2 1.014 109.47 -60. .32 3 17 0 0 0
|
---|
338 | hz3 1.014 109.47 60. .32 3 17 0 0 0
|
---|
339 | c 1.53 109.3 2*phi 180. .45 8 3 -22 0 0
|
---|
340 | o 1.23 120.5 180. -.384 11 -21 0 0 0
|
---|
341 | #met 17 16
|
---|
342 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
343 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
344 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
---|
345 | ha 1.09 105.576 -60.996 .02 1 3 0 0 0
|
---|
346 | cb 1.53 109.5 58.986 -.01 7 3 6 7 8
|
---|
347 | hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
|
---|
348 | hb2 1.09 109.689 58.624 .03 1 5 0 0 0
|
---|
349 | cg 1.53 111. 4*x1 180. -.12 7 5 9 10 11
|
---|
350 | hg1 1.09 109.949 -58.778 .045 1 8 0 0 0
|
---|
351 | hg2 1.09 109.949 58.778 .045 1 8 0 0 0
|
---|
352 | sd 1.785 110. 4*x2 180. .035 16 8 12 0 0
|
---|
353 | ce 1.785 100. 13*x3 180. -.19 7 11 13 14 15
|
---|
354 | he1 1.09 109.47 13*x4 -60. .055 1 12 0 0 0
|
---|
355 | he2 1.09 109.47 60. .055 1 12 0 0 0
|
---|
356 | he3 1.09 109.47 180. .055 1 12 0 0 0
|
---|
357 | c 1.53 111. 2*phi 180. .45 8 3 -17 0 0
|
---|
358 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
---|
359 | #phe 20 19
|
---|
360 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
361 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
362 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 19
|
---|
363 | ha 1.09 107.263 -60.574 .02 1 3 0 0 0
|
---|
364 | cb 1.53 107. 61.182 -.04 7 3 6 7 8
|
---|
365 | hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
|
---|
366 | hb2 1.09 108.903 58.177 .025 1 5 0 0 0
|
---|
367 | cg 1.53 114. 4*x1 180. .02 9 5 -9 17 0
|
---|
368 | cd1 1.36 120. 12*x2 180. -.015 9 -8 10 11 0
|
---|
369 | hd1 1.09 120. 0. .01 2 9 0 0 0
|
---|
370 | ce1 1.42 120. 180. -.015 9 9 12 -13 0
|
---|
371 | he1 1.09 120. 180. .01 2 11 0 0 0
|
---|
372 | cz 1.36 120. 0. .015 9 -11 14 15 0
|
---|
373 | hz 1.09 120. 180. .005 2 13 0 0 0
|
---|
374 | ce2 1.36 120. 0. -.015 9 13 16 -17 0
|
---|
375 | he2 1.09 120. 180. .01 2 15 0 0 0
|
---|
376 | cd2 1.42 120. 0. -.015 9 -15 18 8 0
|
---|
377 | hd2 1.09 120. 180. .01 2 17 0 0 0
|
---|
378 | c 1.53 111. 2*phi 180. .45 8 3 -20 0 0
|
---|
379 | o 1.23 120.5 180. -.384 11 -19 0 0 0
|
---|
380 | #pro 14 13
|
---|
381 | n 1.36 115. 3*psi 180. -.285 13 0 2 10 0
|
---|
382 | ca 1.453 121. 1*omg 180. .05 7 1 3 4 13
|
---|
383 | ha 1.09 110.124 42.356 .04 1 2 0 0 0
|
---|
384 | cb 1.52 105. 162.578 -.025 7 2 5 6 7
|
---|
385 | hb1 1.09 111.001 139.235 .015 1 4 0 0 0
|
---|
386 | hb2 1.09 111.001 -101.895 .015 1 4 0 0 0
|
---|
387 | cg 1.52 105.9 18.67 -.05 7 4 8 9 10
|
---|
388 | hg1 1.09 110.49 106.87 .025 1 7 0 0 0
|
---|
389 | hg2 1.09 110.49 -134.91 .025 1 7 0 0 0
|
---|
390 | cd 1.52 107.9 -14.02 .1 7 7 11 12 1
|
---|
391 | hd1 1.09 111.315 124.178 .01 1 10 0 0 0
|
---|
392 | hd2 1.09 111.315 -116.538 .01 1 10 0 0 0
|
---|
393 | c 1.53 111. -75. .455 8 2 -14 0 0
|
---|
394 | o 1.23 120.5 180. -.385 11 -13 0 0 0
|
---|
395 | #prom 14 13
|
---|
396 | n 1.36 115. 3*psi 180. -.285 13 0 2 10 0
|
---|
397 | ca 1.453 121. 1*omg 180. .05 7 1 3 4 13
|
---|
398 | ha 1.09 110.124 42.356 .04 1 2 0 0 0
|
---|
399 | cb 1.52 105. 162.578 -.025 7 2 5 6 7
|
---|
400 | hb1 1.09 111.001 139.235 .015 1 4 0 0 0
|
---|
401 | hb2 1.09 111.001 -101.895 .015 1 4 0 0 0
|
---|
402 | cg 1.52 0 acg 105.9 4*tcg 18.67 -.05 7 4 8 9 10
|
---|
403 | hg1 1.09 110.49 106.87 .025 1 7 0 0 0
|
---|
404 | hg2 1.09 110.49 -134.91 .025 1 7 0 0 0
|
---|
405 | cd 0 bcd 1.52 0 acd 107.9 4*tcd -14.02 .1 7 7 11 12 1
|
---|
406 | hd1 1.09 0 ah1 111.315 124.178 .01 1 10 0 0 0
|
---|
407 | hd2 1.09 0 ah2 111.315 -116.538 .01 1 10 0 0 0
|
---|
408 | c 1.53 111. 2*phi -75. .455 8 2 -14 0 0
|
---|
409 | o 1.23 120.5 180. -.385 11 -13 0 0 0
|
---|
410 | #ser 11 10
|
---|
411 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
412 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
413 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
|
---|
414 | ha 1.09 105.356 -60.837 .02 1 3 0 0 0
|
---|
415 | cb 1.53 111.1 57.576 .13 7 3 6 7 8
|
---|
416 | hb1 1.09 109.428 -58.473 .02 1 5 0 0 0
|
---|
417 | hb2 1.09 109.428 58.473 .02 1 5 0 0 0
|
---|
418 | og 1.425 112. 4*x1 180. -.31 10 5 9 0 0
|
---|
419 | hg 1. 110. 5*x2 180. .17 5 8 0 0 0
|
---|
420 | c 1.53 110. 2*phi 180. .45 8 3 -11 0 0
|
---|
421 | o 1.23 120.5 180. -.384 11 -10 0 0 0
|
---|
422 | #thr 14 13
|
---|
423 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
424 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
425 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
|
---|
426 | ha 1.09 108.374 -63.043 .02 1 3 0 0 0
|
---|
427 | cb 1.53 108. 55.503 .16 7 3 6 7 9
|
---|
428 | hb 1.09 110.93 -56.998 .015 1 5 0 0 0
|
---|
429 | og1 1.425 104.1 4*x1 180. -.31 10 5 8 0 0
|
---|
430 | hg1 1. 110. 5*x21 180. .17 5 7 0 0 0
|
---|
431 | cg2 1.53 112.5 67.919 -.095 7 5 10 11 12
|
---|
432 | hg21 1.09 109.47 4*x22 60. .03 1 9 0 0 0
|
---|
433 | hg22 1.09 109.47 -60. .03 1 9 0 0 0
|
---|
434 | hg23 1.09 109.47 180. .03 1 9 0 0 0
|
---|
435 | c 1.53 110.4 2*phi 180. .45 8 3 -14 0 0
|
---|
436 | o 1.23 120.5 180. -.384 11 -13 0 0 0
|
---|
437 | #trp 24 23
|
---|
438 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
439 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
440 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
|
---|
441 | ha 1.09 107.799 -61.187 .02 1 3 0 0 0
|
---|
442 | cb 1.53 111. 55.612 -.03 7 3 6 7 8
|
---|
443 | hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
|
---|
444 | hb2 1.09 108.903 58.177 .015 1 5 0 0 0
|
---|
445 | cg 1.53 114. 4*x1 180. -.025 9 5 -9 22 0
|
---|
446 | cd1 1.34 128. 12*x2 180. .085 9 -8 10 11 0
|
---|
447 | hd1 1.09 124.25 0. .0 2 9 0 0 0
|
---|
448 | ne1 1.38 111.5 180. -.28 13 9 12 13 0
|
---|
449 | he1 1. 126.3 180. .13 4 11 0 0 0
|
---|
450 | ce2 1.39 107.4 0. .15 9 11 14 -22 0
|
---|
451 | cz2 1.4 129.4 180. -.06 9 13 15 -16 0
|
---|
452 | hz2 1.09 121.8 0. .03 2 14 0 0 0
|
---|
453 | ch2 1.39 116.4 180. -.005 9 -14 17 18 0
|
---|
454 | hh2 1.09 120.15 180. .01 2 16 0 0 0
|
---|
455 | cz3 1.39 119.7 0. -.02 9 16 19 -20 0
|
---|
456 | hz3 1.09 117.7 180. .01 2 18 0 0 0
|
---|
457 | ce3 1.4 124.6 0. -.08 9 -18 21 22 0
|
---|
458 | he3 1.09 122.5 180. .08 2 20 0 0 0
|
---|
459 | cd2 1.41 115. 0. .005 9 20 8 -13 0
|
---|
460 | c 1.53 108. 2*phi 180. .45 8 3 -24 0 0
|
---|
461 | o 1.23 120.5 180. -.384 11 -23 0 0 0
|
---|
462 | #tyr 21 20
|
---|
463 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
464 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
465 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
|
---|
466 | ha 1.09 107.973 -60.509 .02 1 3 0 0 0
|
---|
467 | cb 1.53 106. 61.78 -.04 7 3 6 7 8
|
---|
468 | hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
|
---|
469 | hb2 1.09 108.903 58.177 .025 1 5 0 0 0
|
---|
470 | cg 1.53 114. 4*x1 180. .02 9 5 -9 18 0
|
---|
471 | cd1 1.38 120. 12*x2 180. -.01 9 -8 10 11 0
|
---|
472 | hd1 1.09 120. 0. .01 2 9 0 0 0
|
---|
473 | ce1 1.44 120. 180. -.06 9 9 12 -13 0
|
---|
474 | he1 1.09 120.75 180. .03 2 11 0 0 0
|
---|
475 | cz 1.36 118.5 0. .225 9 -11 14 16 0
|
---|
476 | oh 1.36 118.5 180. -.33 10 13 15 0 0
|
---|
477 | hh 1. 110. 15*x6 180. .165 5 14 0 0 0
|
---|
478 | ce2 1.36 123. 0. -.06 9 13 17 -18 0
|
---|
479 | he2 1.09 120.75 180. .03 2 16 0 0 0
|
---|
480 | cd2 1.44 118.5 0. -.01 9 -16 19 8 0
|
---|
481 | hd2 1.09 120. 180. .01 2 18 0 0 0
|
---|
482 | c 1.53 111. 2*phi 180. .45 8 3 -21 0 0
|
---|
483 | o 1.23 120.5 180. -.384 11 -20 0 0 0
|
---|
484 | #val 16 15
|
---|
485 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
486 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
487 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
|
---|
488 | ha 1.09 107.568 -62.068 .02 1 3 0 0 0
|
---|
489 | cb 1.53 110. 55.387 .008 7 3 6 7 11
|
---|
490 | hb 1.09 107.895 61.977 .016 1 5 0 0 0
|
---|
491 | cg1 1.53 111. 4*x1 180. -.072 7 5 8 9 10
|
---|
492 | hg11 1.09 109.47 4*x21 -60. .025 1 7 0 0 0
|
---|
493 | hg12 1.09 109.47 60. .025 1 7 0 0 0
|
---|
494 | hg13 1.09 109.47 180. .025 1 7 0 0 0
|
---|
495 | cg2 1.53 111. -56.046 -.072 7 5 12 13 14
|
---|
496 | hg21 1.09 109.47 4*x22 -60. .025 1 11 0 0 0
|
---|
497 | hg22 1.09 109.47 60. .025 1 11 0 0 0
|
---|
498 | hg23 1.09 109.47 180. .025 1 11 0 0 0
|
---|
499 | c 1.53 109.3 2*phi 180. .45 8 3 -16 0 0
|
---|
500 | o 1.23 120.5 180. -.384 11 -15 0 0 0
|
---|
501 | #ace 6 5
|
---|
502 | ch3 1.453 121. 180. -.129 7 2 3 4 5
|
---|
503 | h1 1.09 0. 0. .020 1 1 0 0 0
|
---|
504 | h2 1.09 109.471 -60.001 .020 1 1 0 0 0
|
---|
505 | h3 1.09 109.471 60.001 .020 1 1 0 0 0
|
---|
506 | c 1.49 109.471 180. .455 8 1 -6 0 0
|
---|
507 | o 1.23 120.5 180. -.386 11 -5 0 0 0
|
---|
508 | #nme 6 3
|
---|
509 | n 1.453 115. 3*psi 180. -.345 13 0 2 3 0
|
---|
510 | h 1. 124. 0. .163 4 1 0 0 0
|
---|
511 | c 1.325 121. 1*omg 180. .05 7 1 4 5 6
|
---|
512 | h1 1.09 109.47 2*pht 180. .044 1 3 0 0 0
|
---|
513 | h2 1.09 109.47 -60. .044 1 3 0 0 0
|
---|
514 | h3 1.09 109.47 60. .044 1 3 0 0 0
|
---|
515 | #nh1 2 1 # only for Pro & Hyp
|
---|
516 | n 1.453 109.3 3*psi 180. -.080 13 0 2 0 0
|
---|
517 | h 1.014 123.491 -75.02 .130 4 1 0 0 0
|
---|
518 | #nh2 3 1
|
---|
519 | n 1.453 109.3 3*psi 180. -.356 14 0 2 3 0
|
---|
520 | h1 1.000 112. 6*phi 180. .176 4 1 0 0 0
|
---|
521 | h2 1.000 112. -60. .176 4 1 0 0 0
|
---|
522 | #nh2+ 3 1 # only for Pro & Hyp
|
---|
523 | n 1.453 109.3 3*psi 180. -.140 13 0 2 3 0
|
---|
524 | h1 1.014 109.208 -133.247 .300 3 1 0 0 0
|
---|
525 | h2 1.014 109.208 -16.793 .300 3 1 0 0 0
|
---|
526 | #nh3+ 4 1
|
---|
527 | n 1.453 109.3 3*psi 180. -.356 13 0 2 3 4
|
---|
528 | h1 1.014 109.47 7*phi 180. .285 3 1 0 0 0
|
---|
529 | h2 1.014 109.47 60. .285 3 1 0 0 0
|
---|
530 | h3 1.014 109.47 -60. .285 3 1 0 0 0
|
---|
531 | #cooh 4 1
|
---|
532 | c 1.53 109.3 2*phi 180. .45 8 0 -2 3 0
|
---|
533 | o 1.23 120.5 0. -.384 11 -1 0 0 0
|
---|
534 | oxt 1.29 115. 9*pst 180. -.38 10 1 4 0 0
|
---|
535 | hxt 1. 110. 16*omt 180. .204 5 3 0 0 0
|
---|
536 | #coo- 3 1
|
---|
537 | c 1.53 109.3 2*phi 180. .45 8 0 -2 -3 0
|
---|
538 | o 1.25 117. 0. -.532 12 -1 0 0 0
|
---|
539 | oxt 1.25 117. 10*pst 180. -.532 12 -1 0 0 0
|
---|