Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: D-isoAsp40 Variant
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | MET | HA | H | 4.177 | 0.002 | 1 |
2 | 1 | 1 | MET | HB2 | H | 2.196 | 0.000 | 2 |
3 | 1 | 1 | MET | HB3 | H | 2.094 | 0.000 | 2 |
4 | 1 | 1 | MET | HG2 | H | 2.429 | 0.000 | 1 |
5 | 1 | 1 | MET | HG3 | H | 2.429 | 0.000 | 1 |
6 | 1 | 1 | MET | HE1 | H | 2.130 | 0.000 | 1 |
7 | 1 | 1 | MET | HE2 | H | 2.130 | 0.000 | 1 |
8 | 1 | 1 | MET | HE3 | H | 2.130 | 0.000 | 1 |
9 | 1 | 2 | GLN | H | H | 8.356 | 0.000 | 1 |
10 | 1 | 2 | GLN | HA | H | 4.988 | 0.002 | 1 |
11 | 1 | 2 | GLN | HB2 | H | 2.035 | 0.000 | 2 |
12 | 1 | 2 | GLN | HB3 | H | 1.991 | 0.000 | 2 |
13 | 1 | 2 | GLN | HG2 | H | 2.364 | 0.001 | 2 |
14 | 1 | 2 | GLN | HG3 | H | 2.133 | 0.001 | 2 |
15 | 1 | 2 | GLN | HE21 | H | 6.919 | 0.000 | 2 |
16 | 1 | 2 | GLN | HE22 | H | 7.849 | 0.000 | 2 |
17 | 1 | 3 | TYR | H | H | 9.124 | 0.000 | 1 |
18 | 1 | 3 | TYR | HA | H | 5.388 | 0.000 | 1 |
19 | 1 | 3 | TYR | HB2 | H | 3.408 | 0.002 | 2 |
20 | 1 | 3 | TYR | HB3 | H | 2.756 | 0.000 | 2 |
21 | 1 | 3 | TYR | HD1 | H | 7.151 | 0.000 | 1 |
22 | 1 | 3 | TYR | HD2 | H | 7.151 | 0.000 | 1 |
23 | 1 | 3 | TYR | HE1 | H | 6.929 | 0.000 | 1 |
24 | 1 | 3 | TYR | HE2 | H | 6.929 | 0.000 | 1 |
25 | 1 | 4 | LYS | H | H | 9.106 | 0.001 | 1 |
26 | 1 | 4 | LYS | HA | H | 5.233 | 0.002 | 1 |
27 | 1 | 4 | LYS | HB2 | H | 2.048 | 0.001 | 2 |
28 | 1 | 4 | LYS | HB3 | H | 1.907 | 0.002 | 2 |
29 | 1 | 4 | LYS | HG2 | H | 1.475 | 0.001 | 2 |
30 | 1 | 4 | LYS | HG3 | H | 1.352 | 0.001 | 2 |
31 | 1 | 4 | LYS | HD2 | H | 1.632 | 0.004 | 1 |
32 | 1 | 4 | LYS | HD3 | H | 1.632 | 0.004 | 1 |
33 | 1 | 4 | LYS | HE2 | H | 2.856 | 0.002 | 2 |
34 | 1 | 4 | LYS | HE3 | H | 2.792 | 0.001 | 2 |
35 | 1 | 5 | LEU | H | H | 8.644 | 0.000 | 1 |
36 | 1 | 5 | LEU | HA | H | 4.943 | 0.002 | 1 |
37 | 1 | 5 | LEU | HB2 | H | 0.801 | 0.002 | 2 |
38 | 1 | 5 | LEU | HB3 | H | -1.108 | 0.001 | 2 |
39 | 1 | 5 | LEU | HG | H | 0.881 | 0.002 | 1 |
40 | 1 | 5 | LEU | HD11 | H | 0.502 | 0.001 | 2 |
41 | 1 | 5 | LEU | HD12 | H | 0.502 | 0.001 | 2 |
42 | 1 | 5 | LEU | HD13 | H | 0.502 | 0.001 | 2 |
43 | 1 | 5 | LEU | HD21 | H | 0.576 | 0.001 | 2 |
44 | 1 | 5 | LEU | HD22 | H | 0.576 | 0.001 | 2 |
45 | 1 | 5 | LEU | HD23 | H | 0.576 | 0.001 | 2 |
46 | 1 | 6 | ILE | H | H | 9.074 | 0.001 | 1 |
47 | 1 | 6 | ILE | HA | H | 4.277 | 0.000 | 1 |
48 | 1 | 6 | ILE | HB | H | 1.981 | 0.001 | 1 |
49 | 1 | 6 | ILE | HG12 | H | 1.414 | 0.002 | 2 |
50 | 1 | 6 | ILE | HG13 | H | 1.090 | 0.001 | 2 |
51 | 1 | 6 | ILE | HG21 | H | 0.814 | 0.002 | 1 |
52 | 1 | 6 | ILE | HG22 | H | 0.814 | 0.002 | 1 |
53 | 1 | 6 | ILE | HG23 | H | 0.814 | 0.002 | 1 |
54 | 1 | 6 | ILE | HD11 | H | 0.781 | 0.000 | 1 |
55 | 1 | 6 | ILE | HD12 | H | 0.781 | 0.000 | 1 |
56 | 1 | 6 | ILE | HD13 | H | 0.781 | 0.000 | 1 |
57 | 1 | 7 | LEU | H | H | 8.702 | 0.001 | 1 |
58 | 1 | 7 | LEU | HA | H | 4.484 | 0.001 | 1 |
59 | 1 | 7 | LEU | HB2 | H | 1.473 | 0.002 | 2 |
60 | 1 | 7 | LEU | HB3 | H | 1.330 | 0.003 | 2 |
61 | 1 | 7 | LEU | HG | H | 1.337 | 0.000 | 1 |
62 | 1 | 7 | LEU | HD11 | H | 0.726 | 0.001 | 1 |
63 | 1 | 7 | LEU | HD12 | H | 0.726 | 0.001 | 1 |
64 | 1 | 7 | LEU | HD13 | H | 0.726 | 0.001 | 1 |
65 | 1 | 7 | LEU | HD21 | H | 0.726 | 0.001 | 1 |
66 | 1 | 7 | LEU | HD22 | H | 0.726 | 0.001 | 1 |
67 | 1 | 7 | LEU | HD23 | H | 0.726 | 0.001 | 1 |
68 | 1 | 8 | ASN | H | H | 9.017 | 0.000 | 1 |
69 | 1 | 8 | ASN | HA | H | 5.276 | 0.000 | 1 |
70 | 1 | 8 | ASN | HB2 | H | 2.971 | 0.002 | 2 |
71 | 1 | 8 | ASN | HB3 | H | 2.559 | 0.001 | 2 |
72 | 1 | 8 | ASN | HD21 | H | 6.782 | 0.000 | 2 |
73 | 1 | 8 | ASN | HD22 | H | 7.177 | 0.000 | 2 |
74 | 1 | 9 | GLY | H | H | 8.020 | 0.000 | 1 |
75 | 1 | 9 | GLY | HA2 | H | 4.419 | 0.002 | 2 |
76 | 1 | 9 | GLY | HA3 | H | 3.994 | 0.000 | 2 |
77 | 1 | 10 | LYS | H | H | 9.435 | 0.000 | 1 |
78 | 1 | 10 | LYS | HA | H | 4.050 | 0.001 | 1 |
79 | 1 | 10 | LYS | HB2 | H | 1.820 | 0.000 | 1 |
80 | 1 | 10 | LYS | HB3 | H | 1.820 | 0.000 | 1 |
81 | 1 | 10 | LYS | HG2 | H | 1.454 | 0.002 | 1 |
82 | 1 | 10 | LYS | HG3 | H | 1.454 | 0.002 | 1 |
83 | 1 | 10 | LYS | HD2 | H | 1.672 | 0.001 | 1 |
84 | 1 | 10 | LYS | HD3 | H | 1.672 | 0.001 | 1 |
85 | 1 | 10 | LYS | HE2 | H | 2.979 | 0.001 | 1 |
86 | 1 | 10 | LYS | HE3 | H | 2.979 | 0.001 | 1 |
87 | 1 | 11 | THR | H | H | 8.858 | 0.001 | 1 |
88 | 1 | 11 | THR | HA | H | 4.373 | 0.000 | 1 |
89 | 1 | 11 | THR | HB | H | 4.226 | 0.000 | 1 |
90 | 1 | 11 | THR | HG21 | H | 1.141 | 0.002 | 1 |
91 | 1 | 11 | THR | HG22 | H | 1.141 | 0.002 | 1 |
92 | 1 | 11 | THR | HG23 | H | 1.141 | 0.002 | 1 |
93 | 1 | 12 | LEU | H | H | 7.462 | 0.001 | 1 |
94 | 1 | 12 | LEU | HA | H | 4.469 | 0.002 | 1 |
95 | 1 | 12 | LEU | HB2 | H | 1.629 | 0.002 | 2 |
96 | 1 | 12 | LEU | HB3 | H | 1.420 | 0.001 | 2 |
97 | 1 | 12 | LEU | HG | H | 1.402 | 0.002 | 1 |
98 | 1 | 12 | LEU | HD11 | H | 0.796 | 0.000 | 2 |
99 | 1 | 12 | LEU | HD12 | H | 0.796 | 0.000 | 2 |
100 | 1 | 12 | LEU | HD13 | H | 0.796 | 0.000 | 2 |
101 | 1 | 12 | LEU | HD21 | H | 0.889 | 0.000 | 2 |
102 | 1 | 12 | LEU | HD22 | H | 0.889 | 0.000 | 2 |
103 | 1 | 12 | LEU | HD23 | H | 0.889 | 0.000 | 2 |
104 | 1 | 13 | LYS | H | H | 8.116 | 0.001 | 1 |
105 | 1 | 13 | LYS | HA | H | 5.157 | 0.000 | 1 |
106 | 1 | 13 | LYS | HB2 | H | 1.893 | 0.000 | 2 |
107 | 1 | 13 | LYS | HB3 | H | 1.743 | 0.001 | 2 |
108 | 1 | 13 | LYS | HG2 | H | 1.449 | 0.000 | 2 |
109 | 1 | 13 | LYS | HG3 | H | 1.409 | 0.001 | 2 |
110 | 1 | 13 | LYS | HD2 | H | 1.681 | 0.000 | 1 |
111 | 1 | 13 | LYS | HD3 | H | 1.681 | 0.000 | 1 |
112 | 1 | 13 | LYS | HE2 | H | 3.008 | 0.002 | 2 |
113 | 1 | 13 | LYS | HE3 | H | 2.926 | 0.000 | 2 |
114 | 1 | 14 | GLY | H | H | 8.498 | 0.000 | 1 |
115 | 1 | 14 | GLY | HA2 | H | 4.233 | 0.000 | 1 |
116 | 1 | 14 | GLY | HA3 | H | 4.233 | 0.000 | 1 |
117 | 1 | 15 | GLU | H | H | 8.384 | 0.002 | 1 |
118 | 1 | 15 | GLU | HA | H | 5.556 | 0.001 | 1 |
119 | 1 | 15 | GLU | HB2 | H | 2.020 | 0.000 | 2 |
120 | 1 | 15 | GLU | HB3 | H | 1.940 | 0.000 | 2 |
121 | 1 | 15 | GLU | HG2 | H | 2.152 | 0.001 | 1 |
122 | 1 | 15 | GLU | HG3 | H | 2.152 | 0.001 | 1 |
123 | 1 | 16 | THR | H | H | 8.732 | 0.001 | 1 |
124 | 1 | 16 | THR | HA | H | 4.749 | 0.001 | 1 |
125 | 1 | 16 | THR | HB | H | 3.922 | 0.000 | 1 |
126 | 1 | 16 | THR | HG21 | H | 0.487 | 0.000 | 1 |
127 | 1 | 16 | THR | HG22 | H | 0.487 | 0.000 | 1 |
128 | 1 | 16 | THR | HG23 | H | 0.487 | 0.000 | 1 |
129 | 1 | 17 | THR | H | H | 8.111 | 0.000 | 1 |
130 | 1 | 17 | THR | HA | H | 5.819 | 0.000 | 1 |
131 | 1 | 17 | THR | HB | H | 4.310 | 0.000 | 1 |
132 | 1 | 17 | THR | HG21 | H | 1.199 | 0.000 | 1 |
133 | 1 | 17 | THR | HG22 | H | 1.199 | 0.000 | 1 |
134 | 1 | 17 | THR | HG23 | H | 1.199 | 0.000 | 1 |
135 | 1 | 18 | THR | H | H | 8.991 | 0.000 | 1 |
136 | 1 | 18 | THR | HA | H | 4.674 | 0.001 | 1 |
137 | 1 | 18 | THR | HB | H | 3.849 | 0.000 | 1 |
138 | 1 | 18 | THR | HG21 | H | 0.485 | 0.002 | 1 |
139 | 1 | 18 | THR | HG22 | H | 0.485 | 0.002 | 1 |
140 | 1 | 18 | THR | HG23 | H | 0.485 | 0.002 | 1 |
141 | 1 | 19 | GLU | H | H | 7.959 | 0.001 | 1 |
142 | 1 | 19 | GLU | HA | H | 5.185 | 0.001 | 1 |
143 | 1 | 19 | GLU | HB2 | H | 1.946 | 0.000 | 1 |
144 | 1 | 19 | GLU | HB3 | H | 1.946 | 0.000 | 1 |
145 | 1 | 19 | GLU | HG2 | H | 2.293 | 0.002 | 2 |
146 | 1 | 19 | GLU | HG3 | H | 2.058 | 0.001 | 2 |
147 | 1 | 20 | ALA | H | H | 9.348 | 0.000 | 1 |
148 | 1 | 20 | ALA | HA | H | 4.945 | 0.001 | 1 |
149 | 1 | 20 | ALA | HB1 | H | 1.344 | 0.000 | 1 |
150 | 1 | 20 | ALA | HB2 | H | 1.344 | 0.000 | 1 |
151 | 1 | 20 | ALA | HB3 | H | 1.344 | 0.000 | 1 |
152 | 1 | 21 | VAL | H | H | 8.494 | 0.000 | 1 |
153 | 1 | 21 | VAL | HA | H | 4.122 | 0.001 | 1 |
154 | 1 | 21 | VAL | HB | H | 2.201 | 0.001 | 1 |
155 | 1 | 21 | VAL | HG11 | H | 1.009 | 0.000 | 1 |
156 | 1 | 21 | VAL | HG12 | H | 1.009 | 0.000 | 1 |
157 | 1 | 21 | VAL | HG13 | H | 1.009 | 0.000 | 1 |
158 | 1 | 21 | VAL | HG21 | H | 1.009 | 0.000 | 1 |
159 | 1 | 21 | VAL | HG22 | H | 1.009 | 0.000 | 1 |
160 | 1 | 21 | VAL | HG23 | H | 1.009 | 0.000 | 1 |
161 | 1 | 22 | ASP | H | H | 7.342 | 0.000 | 1 |
162 | 1 | 22 | ASP | HA | H | 4.762 | 0.002 | 1 |
163 | 1 | 22 | ASP | HB2 | H | 3.045 | 0.000 | 2 |
164 | 1 | 22 | ASP | HB3 | H | 2.989 | 0.000 | 2 |
165 | 1 | 23 | ALA | H | H | 8.291 | 0.001 | 1 |
166 | 1 | 23 | ALA | HA | H | 3.318 | 0.001 | 1 |
167 | 1 | 23 | ALA | HB1 | H | 1.163 | 0.000 | 1 |
168 | 1 | 23 | ALA | HB2 | H | 1.163 | 0.000 | 1 |
169 | 1 | 23 | ALA | HB3 | H | 1.163 | 0.000 | 1 |
170 | 1 | 24 | ALA | H | H | 8.060 | 0.001 | 1 |
171 | 1 | 24 | ALA | HA | H | 3.978 | 0.001 | 1 |
172 | 1 | 24 | ALA | HB1 | H | 1.297 | 0.002 | 1 |
173 | 1 | 24 | ALA | HB2 | H | 1.297 | 0.002 | 1 |
174 | 1 | 24 | ALA | HB3 | H | 1.297 | 0.002 | 1 |
175 | 1 | 25 | THR | H | H | 8.296 | 0.000 | 1 |
176 | 1 | 25 | THR | HA | H | 3.709 | 0.000 | 1 |
177 | 1 | 25 | THR | HB | H | 4.028 | 0.000 | 1 |
178 | 1 | 25 | THR | HG21 | H | 1.231 | 0.001 | 1 |
179 | 1 | 25 | THR | HG22 | H | 1.231 | 0.001 | 1 |
180 | 1 | 25 | THR | HG23 | H | 1.231 | 0.001 | 1 |
181 | 1 | 26 | ALA | H | H | 7.190 | 0.000 | 1 |
182 | 1 | 26 | ALA | HA | H | 3.097 | 0.001 | 1 |
183 | 1 | 26 | ALA | HB1 | H | 0.537 | 0.001 | 1 |
184 | 1 | 26 | ALA | HB2 | H | 0.537 | 0.001 | 1 |
185 | 1 | 26 | ALA | HB3 | H | 0.537 | 0.001 | 1 |
186 | 1 | 27 | GLU | H | H | 8.341 | 0.000 | 1 |
187 | 1 | 27 | GLU | HA | H | 2.685 | 0.000 | 1 |
188 | 1 | 27 | GLU | HB2 | H | 1.971 | 0.000 | 2 |
189 | 1 | 27 | GLU | HB3 | H | 1.847 | 0.000 | 2 |
190 | 1 | 27 | GLU | HG2 | H | 1.632 | 0.000 | 1 |
191 | 1 | 27 | GLU | HG3 | H | 1.632 | 0.000 | 1 |
192 | 1 | 28 | LYS | H | H | 6.954 | 0.000 | 1 |
193 | 1 | 28 | LYS | HA | H | 3.738 | 0.001 | 1 |
194 | 1 | 28 | LYS | HB2 | H | 1.839 | 0.001 | 1 |
195 | 1 | 28 | LYS | HB3 | H | 1.839 | 0.001 | 1 |
196 | 1 | 28 | LYS | HG2 | H | 1.528 | 0.001 | 2 |
197 | 1 | 28 | LYS | HG3 | H | 1.334 | 0.001 | 2 |
198 | 1 | 28 | LYS | HD2 | H | 1.611 | 0.003 | 1 |
199 | 1 | 28 | LYS | HD3 | H | 1.611 | 0.003 | 1 |
200 | 1 | 28 | LYS | HE2 | H | 2.896 | 0.002 | 1 |
201 | 1 | 28 | LYS | HE3 | H | 2.896 | 0.002 | 1 |
202 | 1 | 29 | VAL | H | H | 7.353 | 0.000 | 1 |
203 | 1 | 29 | VAL | HA | H | 3.617 | 0.000 | 1 |
204 | 1 | 29 | VAL | HB | H | 1.759 | 0.001 | 1 |
205 | 1 | 29 | VAL | HG11 | H | 0.801 | 0.001 | 2 |
206 | 1 | 29 | VAL | HG12 | H | 0.801 | 0.001 | 2 |
207 | 1 | 29 | VAL | HG13 | H | 0.801 | 0.001 | 2 |
208 | 1 | 29 | VAL | HG21 | H | 0.909 | 0.002 | 2 |
209 | 1 | 29 | VAL | HG22 | H | 0.909 | 0.002 | 2 |
210 | 1 | 29 | VAL | HG23 | H | 0.909 | 0.002 | 2 |
211 | 1 | 30 | PHE | H | H | 8.533 | 0.000 | 1 |
212 | 1 | 30 | PHE | HA | H | 4.790 | 0.000 | 1 |
213 | 1 | 30 | PHE | HB2 | H | 3.337 | 0.000 | 2 |
214 | 1 | 30 | PHE | HB3 | H | 2.885 | 0.000 | 2 |
215 | 1 | 30 | PHE | HD1 | H | 6.519 | 0.000 | 3 |
216 | 1 | 30 | PHE | HD2 | H | 6.564 | 0.000 | 3 |
217 | 1 | 30 | PHE | HE1 | H | 7.084 | 0.001 | 1 |
218 | 1 | 30 | PHE | HE2 | H | 7.084 | 0.001 | 1 |
219 | 1 | 30 | PHE | HZ | H | 7.190 | 0.001 | 1 |
220 | 1 | 31 | LYS | H | H | 9.128 | 0.000 | 1 |
221 | 1 | 31 | LYS | HA | H | 4.139 | 0.000 | 1 |
222 | 1 | 31 | LYS | HB2 | H | 1.656 | 0.004 | 2 |
223 | 1 | 31 | LYS | HB3 | H | 1.630 | 0.000 | 2 |
224 | 1 | 31 | LYS | HG2 | H | 1.084 | 0.009 | 2 |
225 | 1 | 31 | LYS | HG3 | H | 0.491 | 0.001 | 2 |
226 | 1 | 31 | LYS | HD2 | H | 1.651 | 0.000 | 2 |
227 | 1 | 31 | LYS | HD3 | H | 1.546 | 0.004 | 2 |
228 | 1 | 31 | LYS | HE2 | H | 1.946 | 0.001 | 1 |
229 | 1 | 31 | LYS | HE3 | H | 1.946 | 0.001 | 1 |
230 | 1 | 32 | GLN | H | H | 7.453 | 0.000 | 1 |
231 | 1 | 32 | GLN | HA | H | 4.015 | 0.001 | 1 |
232 | 1 | 32 | GLN | HB2 | H | 2.234 | 0.000 | 2 |
233 | 1 | 32 | GLN | HB3 | H | 2.192 | 0.001 | 2 |
234 | 1 | 32 | GLN | HG2 | H | 2.431 | 0.000 | 2 |
235 | 1 | 32 | GLN | HG3 | H | 2.405 | 0.000 | 2 |
236 | 1 | 32 | GLN | HE21 | H | 6.871 | 0.000 | 2 |
237 | 1 | 32 | GLN | HE22 | H | 7.892 | 0.000 | 2 |
238 | 1 | 33 | TYR | H | H | 8.154 | 0.000 | 1 |
239 | 1 | 33 | TYR | HA | H | 4.266 | 0.001 | 1 |
240 | 1 | 33 | TYR | HB2 | H | 3.309 | 0.001 | 2 |
241 | 1 | 33 | TYR | HB3 | H | 3.287 | 0.000 | 2 |
242 | 1 | 33 | TYR | HD1 | H | 6.992 | 0.000 | 1 |
243 | 1 | 33 | TYR | HD2 | H | 6.992 | 0.000 | 1 |
244 | 1 | 33 | TYR | HE1 | H | 6.712 | 0.000 | 1 |
245 | 1 | 33 | TYR | HE2 | H | 6.712 | 0.000 | 1 |
246 | 1 | 34 | ALA | H | H | 9.184 | 0.000 | 1 |
247 | 1 | 34 | ALA | HA | H | 3.742 | 0.002 | 1 |
248 | 1 | 34 | ALA | HB1 | H | 1.741 | 0.000 | 1 |
249 | 1 | 34 | ALA | HB2 | H | 1.741 | 0.000 | 1 |
250 | 1 | 34 | ALA | HB3 | H | 1.741 | 0.000 | 1 |
251 | 1 | 35 | ASN | H | H | 8.621 | 0.000 | 1 |
252 | 1 | 35 | ASN | HA | H | 4.409 | 0.001 | 1 |
253 | 1 | 35 | ASN | HB2 | H | 2.929 | 0.001 | 2 |
254 | 1 | 35 | ASN | HB3 | H | 2.861 | 0.002 | 2 |
255 | 1 | 35 | ASN | HD21 | H | 6.988 | 0.000 | 2 |
256 | 1 | 35 | ASN | HD22 | H | 7.919 | 0.000 | 2 |
257 | 1 | 36 | ASP | H | H | 8.881 | 0.000 | 1 |
258 | 1 | 36 | ASP | HA | H | 4.385 | 0.001 | 1 |
259 | 1 | 36 | ASP | HB2 | H | 2.791 | 0.001 | 2 |
260 | 1 | 36 | ASP | HB3 | H | 2.573 | 0.001 | 2 |
261 | 1 | 37 | ASN | H | H | 7.412 | 0.001 | 1 |
262 | 1 | 37 | ASN | HA | H | 4.643 | 0.002 | 1 |
263 | 1 | 37 | ASN | HB2 | H | 2.816 | 0.003 | 2 |
264 | 1 | 37 | ASN | HB3 | H | 2.160 | 0.000 | 2 |
265 | 1 | 37 | ASN | HD21 | H | 6.359 | 0.000 | 2 |
266 | 1 | 37 | ASN | HD22 | H | 6.741 | 0.000 | 2 |
267 | 1 | 38 | GLY | H | H | 7.753 | 0.000 | 1 |
268 | 1 | 38 | GLY | HA2 | H | 4.090 | 0.000 | 2 |
269 | 1 | 38 | GLY | HA3 | H | 3.844 | 0.000 | 2 |
270 | 1 | 39 | VAL | H | H | 8.344 | 0.000 | 1 |
271 | 1 | 39 | VAL | HA | H | 4.130 | 0.000 | 1 |
272 | 1 | 39 | VAL | HB | H | 1.661 | 0.001 | 1 |
273 | 1 | 39 | VAL | HG11 | H | 0.637 | 0.001 | 2 |
274 | 1 | 39 | VAL | HG12 | H | 0.637 | 0.001 | 2 |
275 | 1 | 39 | VAL | HG13 | H | 0.637 | 0.001 | 2 |
276 | 1 | 39 | VAL | HG21 | H | 0.774 | 0.002 | 2 |
277 | 1 | 39 | VAL | HG22 | H | 0.774 | 0.002 | 2 |
278 | 1 | 39 | VAL | HG23 | H | 0.774 | 0.002 | 2 |
279 | 1 | 40 | DAS | H | H | 8.473 | 0.001 | 1 |
280 | 1 | 40 | DAS | HA | H | 4.748 | 0.002 | 1 |
281 | 1 | 40 | DAS | HB2 | H | 2.709 | 0.001 | 2 |
282 | 1 | 40 | DAS | HB3 | H | 3.086 | 0.000 | 2 |
283 | 1 | 41 | GLY | H | H | 8.192 | 0.000 | 1 |
284 | 1 | 41 | GLY | HA2 | H | 3.870 | 0.000 | 2 |
285 | 1 | 41 | GLY | HA3 | H | 3.821 | 0.000 | 2 |
286 | 1 | 42 | GLU | H | H | 8.493 | 0.001 | 1 |
287 | 1 | 42 | GLU | HA | H | 4.889 | 0.001 | 1 |
288 | 1 | 42 | GLU | HB2 | H | 2.038 | 0.001 | 2 |
289 | 1 | 42 | GLU | HB3 | H | 1.920 | 0.008 | 2 |
290 | 1 | 42 | GLU | HG2 | H | 2.287 | 0.003 | 2 |
291 | 1 | 42 | GLU | HG3 | H | 2.199 | 0.000 | 2 |
292 | 1 | 43 | TRP | H | H | 9.307 | 0.000 | 1 |
293 | 1 | 43 | TRP | HA | H | 5.214 | 0.001 | 1 |
294 | 1 | 43 | TRP | HB2 | H | 3.358 | 0.001 | 2 |
295 | 1 | 43 | TRP | HB3 | H | 3.140 | 0.002 | 2 |
296 | 1 | 43 | TRP | HD1 | H | 7.253 | 0.000 | 1 |
297 | 1 | 43 | TRP | HE1 | H | 10.198 | 0.001 | 1 |
298 | 1 | 43 | TRP | HE3 | H | 7.593 | 0.000 | 1 |
299 | 1 | 43 | TRP | HZ2 | H | 7.365 | 0.000 | 1 |
300 | 1 | 43 | TRP | HZ3 | H | 6.620 | 0.000 | 1 |
301 | 1 | 43 | TRP | HH2 | H | 6.770 | 0.002 | 1 |
302 | 1 | 44 | THR | H | H | 9.214 | 0.000 | 1 |
303 | 1 | 44 | THR | HA | H | 4.828 | 0.000 | 1 |
304 | 1 | 44 | THR | HB | H | 4.225 | 0.000 | 1 |
305 | 1 | 44 | THR | HG21 | H | 1.210 | 0.001 | 1 |
306 | 1 | 44 | THR | HG22 | H | 1.210 | 0.001 | 1 |
307 | 1 | 44 | THR | HG23 | H | 1.210 | 0.001 | 1 |
308 | 1 | 45 | TYR | H | H | 8.603 | 0.000 | 1 |
309 | 1 | 45 | TYR | HA | H | 4.959 | 0.000 | 1 |
310 | 1 | 45 | TYR | HB2 | H | 2.880 | 0.000 | 2 |
311 | 1 | 45 | TYR | HB3 | H | 2.515 | 0.000 | 2 |
312 | 1 | 45 | TYR | HD1 | H | 7.155 | 0.000 | 1 |
313 | 1 | 45 | TYR | HD2 | H | 7.155 | 0.000 | 1 |
314 | 1 | 45 | TYR | HE1 | H | 6.374 | 0.000 | 1 |
315 | 1 | 45 | TYR | HE2 | H | 6.374 | 0.000 | 1 |
316 | 1 | 46 | ASP | H | H | 7.602 | 0.000 | 1 |
317 | 1 | 46 | ASP | HA | H | 4.598 | 0.002 | 1 |
318 | 1 | 46 | ASP | HB2 | H | 2.623 | 0.002 | 2 |
319 | 1 | 46 | ASP | HB3 | H | 2.272 | 0.001 | 2 |
320 | 1 | 47 | ASP | H | H | 8.597 | 0.000 | 1 |
321 | 1 | 47 | ASP | HA | H | 4.165 | 0.000 | 1 |
322 | 1 | 47 | ASP | HB2 | H | 2.841 | 0.000 | 2 |
323 | 1 | 47 | ASP | HB3 | H | 2.534 | 0.000 | 2 |
324 | 1 | 48 | ALA | H | H | 8.355 | 0.000 | 1 |
325 | 1 | 48 | ALA | HA | H | 4.126 | 0.000 | 1 |
326 | 1 | 48 | ALA | HB1 | H | 1.515 | 0.000 | 1 |
327 | 1 | 48 | ALA | HB2 | H | 1.515 | 0.000 | 1 |
328 | 1 | 48 | ALA | HB3 | H | 1.515 | 0.000 | 1 |
329 | 1 | 49 | THR | H | H | 7.021 | 0.001 | 1 |
330 | 1 | 49 | THR | HA | H | 4.408 | 0.000 | 1 |
331 | 1 | 49 | THR | HB | H | 4.418 | 0.000 | 1 |
332 | 1 | 49 | THR | HG21 | H | 1.087 | 0.001 | 1 |
333 | 1 | 49 | THR | HG22 | H | 1.087 | 0.001 | 1 |
334 | 1 | 49 | THR | HG23 | H | 1.087 | 0.001 | 1 |
335 | 1 | 50 | LYS | H | H | 7.878 | 0.001 | 1 |
336 | 1 | 50 | LYS | HA | H | 4.214 | 0.003 | 1 |
337 | 1 | 50 | LYS | HB2 | H | 2.088 | 0.001 | 2 |
338 | 1 | 50 | LYS | HB3 | H | 2.021 | 0.004 | 2 |
339 | 1 | 50 | LYS | HG2 | H | 1.405 | 0.002 | 2 |
340 | 1 | 50 | LYS | HG3 | H | 1.238 | 0.001 | 2 |
341 | 1 | 50 | LYS | HD2 | H | 1.720 | 0.002 | 2 |
342 | 1 | 50 | LYS | HD3 | H | 1.420 | 0.002 | 2 |
343 | 1 | 50 | LYS | HE2 | H | 3.104 | 0.004 | 2 |
344 | 1 | 50 | LYS | HE3 | H | 2.973 | 0.002 | 2 |
345 | 1 | 51 | THR | H | H | 7.394 | 0.000 | 1 |
346 | 1 | 51 | THR | HA | H | 5.517 | 0.000 | 1 |
347 | 1 | 51 | THR | HB | H | 3.780 | 0.001 | 1 |
348 | 1 | 51 | THR | HG21 | H | 1.001 | 0.001 | 1 |
349 | 1 | 51 | THR | HG22 | H | 1.001 | 0.001 | 1 |
350 | 1 | 51 | THR | HG23 | H | 1.001 | 0.001 | 1 |
351 | 1 | 52 | PHE | H | H | 10.358 | 0.000 | 1 |
352 | 1 | 52 | PHE | HA | H | 5.659 | 0.002 | 1 |
353 | 1 | 52 | PHE | HB2 | H | 3.276 | 0.003 | 2 |
354 | 1 | 52 | PHE | HB3 | H | 3.151 | 0.001 | 2 |
355 | 1 | 52 | PHE | HD1 | H | 7.806 | 0.000 | 1 |
356 | 1 | 52 | PHE | HD2 | H | 7.806 | 0.000 | 1 |
357 | 1 | 52 | PHE | HE1 | H | 7.169 | 0.001 | 1 |
358 | 1 | 52 | PHE | HE2 | H | 7.169 | 0.001 | 1 |
359 | 1 | 52 | PHE | HZ | H | 7.018 | 0.001 | 1 |
360 | 1 | 53 | THR | H | H | 9.111 | 0.002 | 1 |
361 | 1 | 53 | THR | HA | H | 5.170 | 0.001 | 1 |
362 | 1 | 53 | THR | HB | H | 3.849 | 0.002 | 1 |
363 | 1 | 53 | THR | HG21 | H | 0.992 | 0.000 | 1 |
364 | 1 | 53 | THR | HG22 | H | 0.992 | 0.000 | 1 |
365 | 1 | 53 | THR | HG23 | H | 0.992 | 0.000 | 1 |
366 | 1 | 54 | VAL | H | H | 8.395 | 0.000 | 1 |
367 | 1 | 54 | VAL | HA | H | 4.573 | 0.003 | 1 |
368 | 1 | 54 | VAL | HB | H | -0.051 | 0.000 | 1 |
369 | 1 | 54 | VAL | HG11 | H | -0.312 | 0.001 | 2 |
370 | 1 | 54 | VAL | HG12 | H | -0.312 | 0.001 | 2 |
371 | 1 | 54 | VAL | HG13 | H | -0.312 | 0.001 | 2 |
372 | 1 | 54 | VAL | HG21 | H | 0.369 | 0.001 | 2 |
373 | 1 | 54 | VAL | HG22 | H | 0.369 | 0.001 | 2 |
374 | 1 | 54 | VAL | HG23 | H | 0.369 | 0.001 | 2 |
375 | 1 | 55 | THR | H | H | 8.404 | 0.001 | 1 |
376 | 1 | 55 | THR | HA | H | 4.737 | 0.002 | 1 |
377 | 1 | 55 | THR | HB | H | 3.945 | 0.000 | 1 |
378 | 1 | 55 | THR | HG21 | H | 1.240 | 0.002 | 1 |
379 | 1 | 55 | THR | HG22 | H | 1.240 | 0.002 | 1 |
380 | 1 | 55 | THR | HG23 | H | 1.240 | 0.002 | 1 |
381 | 1 | 56 | GLU | H | H | 7.722 | 0.001 | 1 |
382 | 1 | 56 | GLU | HA | H | 4.229 | 0.002 | 1 |
383 | 1 | 56 | GLU | HB2 | H | 2.179 | 0.001 | 2 |
384 | 1 | 56 | GLU | HB3 | H | 1.883 | 0.004 | 2 |
385 | 1 | 56 | GLU | HG2 | H | 2.248 | 0.001 | 1 |
386 | 1 | 56 | GLU | HG3 | H | 2.248 | 0.001 | 1 |