Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
531322 | 2lap RC | 17532 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lap
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 454
_Distance_constraint_stats_list.Viol_count 724
_Distance_constraint_stats_list.Viol_total 746.334
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0687
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 98 MET 0.000 0.000 . 0 "[ . 1 .]"
1 99 ILE 0.182 0.087 14 0 "[ . 1 .]"
1 100 GLY 0.092 0.092 3 0 "[ . 1 .]"
1 101 VAL 2.168 0.159 5 0 "[ . 1 .]"
1 102 LYS 4.235 0.340 10 0 "[ . 1 .]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 104 LEU 6.845 0.340 10 0 "[ . 1 .]"
1 105 ARG 0.395 0.042 3 0 "[ . 1 .]"
1 106 ASP 3.753 0.269 6 0 "[ . 1 .]"
1 107 ALA 0.703 0.078 13 0 "[ . 1 .]"
1 108 PHE 0.510 0.103 11 0 "[ . 1 .]"
1 109 ARG 1.050 0.122 6 0 "[ . 1 .]"
1 110 GLU 0.870 0.073 1 0 "[ . 1 .]"
1 111 PHE 0.994 0.073 1 0 "[ . 1 .]"
1 112 ASP 1.968 0.145 1 0 "[ . 1 .]"
1 113 THR 1.901 0.127 5 0 "[ . 1 .]"
1 114 ASN 1.149 0.145 1 0 "[ . 1 .]"
1 115 GLY 0.466 0.104 9 0 "[ . 1 .]"
1 117 GLY 0.023 0.023 11 0 "[ . 1 .]"
1 118 GLU 2.177 0.116 13 0 "[ . 1 .]"
1 119 ILE 3.444 0.225 11 0 "[ . 1 .]"
1 120 SER 0.131 0.058 9 0 "[ . 1 .]"
1 121 THR 4.433 0.248 8 0 "[ . 1 .]"
1 122 SER 0.000 0.000 . 0 "[ . 1 .]"
1 123 GLU 5.019 0.248 8 0 "[ . 1 .]"
1 124 LEU 0.009 0.009 7 0 "[ . 1 .]"
1 125 ARG 1.022 0.141 5 0 "[ . 1 .]"
1 126 GLU 0.162 0.081 3 0 "[ . 1 .]"
1 127 ALA 0.574 0.066 6 0 "[ . 1 .]"
1 128 MET 1.474 0.085 15 0 "[ . 1 .]"
1 129 ARG 0.040 0.023 7 0 "[ . 1 .]"
1 130 LYS 0.066 0.066 6 0 "[ . 1 .]"
1 131 LEU 0.078 0.054 15 0 "[ . 1 .]"
1 132 LEU 0.240 0.059 1 0 "[ . 1 .]"
1 133 GLY 0.240 0.059 1 0 "[ . 1 .]"
1 135 GLN 0.077 0.070 14 0 "[ . 1 .]"
1 136 VAL 0.989 0.128 5 0 "[ . 1 .]"
1 137 GLY 0.200 0.056 5 0 "[ . 1 .]"
1 141 ILE 0.543 0.085 15 0 "[ . 1 .]"
1 142 GLU 0.321 0.054 1 0 "[ . 1 .]"
1 143 GLU 0.950 0.201 2 0 "[ . 1 .]"
1 144 ILE 1.424 0.126 5 0 "[ . 1 .]"
1 145 ILE 1.501 0.144 10 0 "[ . 1 .]"
1 146 ARG 0.256 0.042 5 0 "[ . 1 .]"
1 147 ASP 1.554 0.223 12 0 "[ . 1 .]"
1 148 VAL 2.518 0.127 5 0 "[ . 1 .]"
1 149 ASP 0.156 0.037 12 0 "[ . 1 .]"
1 150 LEU 4.297 0.255 4 0 "[ . 1 .]"
1 151 ASN 2.801 0.255 4 0 "[ . 1 .]"
1 152 GLY 0.139 0.038 2 0 "[ . 1 .]"
1 153 ASP 1.093 0.120 15 0 "[ . 1 .]"
1 154 GLY 1.173 0.120 15 0 "[ . 1 .]"
1 155 ARG 1.840 0.254 11 0 "[ . 1 .]"
1 156 VAL 1.714 0.254 11 0 "[ . 1 .]"
1 157 ASP 1.079 0.116 13 0 "[ . 1 .]"
1 158 PHE 3.225 0.288 5 0 "[ . 1 .]"
1 159 GLU 4.657 0.288 5 0 "[ . 1 .]"
1 160 GLU 1.145 0.164 5 0 "[ . 1 .]"
1 161 PHE 0.711 0.094 15 0 "[ . 1 .]"
1 162 VAL 4.485 0.154 15 0 "[ . 1 .]"
1 163 ARG 0.624 0.057 1 0 "[ . 1 .]"
1 164 MET 0.116 0.037 14 0 "[ . 1 .]"
1 165 MET 0.167 0.065 1 0 "[ . 1 .]"
1 166 SER 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 102 LYS H 1 102 LYS HA 2.900 . 2.900 2.809 2.750 2.850 . 0 0 "[ . 1 .]" 1
2 1 102 LYS H 1 102 LYS QB 2.900 . 3.900 2.332 2.218 2.638 . 0 0 "[ . 1 .]" 1
3 1 104 LEU H 1 104 LEU QD 3.500 . 6.000 2.979 2.255 3.453 . 0 0 "[ . 1 .]" 1
4 1 104 LEU H 1 104 LEU QB 3.500 . 4.500 2.309 2.180 2.528 . 0 0 "[ . 1 .]" 1
5 1 105 ARG H 1 105 ARG HA 2.900 . 2.900 2.823 2.813 2.849 . 0 0 "[ . 1 .]" 1
6 1 105 ARG H 1 105 ARG QB 2.900 . 3.900 2.271 2.237 2.347 . 0 0 "[ . 1 .]" 1
7 1 106 ASP H 1 106 ASP QB 2.900 . 3.900 2.309 2.251 2.519 . 0 0 "[ . 1 .]" 1
8 1 106 ASP H 1 106 ASP HA 2.900 . 2.900 2.837 2.813 2.867 . 0 0 "[ . 1 .]" 1
9 1 107 ALA H 1 107 ALA HA 2.900 . 2.900 2.830 2.822 2.836 . 0 0 "[ . 1 .]" 1
10 1 107 ALA H 1 107 ALA MB 2.900 . 4.400 2.225 2.204 2.238 . 0 0 "[ . 1 .]" 1
11 1 108 PHE H 1 108 PHE QB 2.900 . 3.900 2.253 2.243 2.258 . 0 0 "[ . 1 .]" 1
12 1 108 PHE H 1 108 PHE QD 3.500 . 5.500 4.166 4.136 4.181 . 0 0 "[ . 1 .]" 1
13 1 109 ARG H 1 109 ARG HA 2.900 . 2.900 2.813 2.775 2.850 . 0 0 "[ . 1 .]" 1
14 1 109 ARG H 1 109 ARG QB 2.900 . 3.900 2.296 2.228 2.398 . 0 0 "[ . 1 .]" 1
15 1 110 GLU H 1 110 GLU HA 2.900 . 2.900 2.773 2.730 2.831 . 0 0 "[ . 1 .]" 1
16 1 111 PHE H 1 111 PHE HA 2.900 . 2.900 2.842 2.796 2.958 0.058 14 0 "[ . 1 .]" 1
17 1 111 PHE H 1 111 PHE QB 2.900 . 3.900 2.364 2.175 2.504 . 0 0 "[ . 1 .]" 1
18 1 111 PHE H 1 111 PHE QD 3.900 . 5.900 2.487 2.071 3.049 . 0 0 "[ . 1 .]" 1
19 1 112 ASP H 1 112 ASP QB 2.900 . 3.900 2.284 2.216 2.431 . 0 0 "[ . 1 .]" 1
20 1 113 THR H 1 113 THR HG1 2.900 . 4.400 2.562 1.825 3.304 . 0 0 "[ . 1 .]" 1
21 1 113 THR H 1 113 THR HA 2.900 . 2.900 2.829 2.811 2.913 0.013 6 0 "[ . 1 .]" 1
22 1 113 THR H 1 113 THR HB 3.500 . 3.500 2.599 2.424 2.685 . 0 0 "[ . 1 .]" 1
23 1 114 ASN H 1 114 ASN HA 2.900 . 2.900 2.841 2.790 2.938 0.038 6 0 "[ . 1 .]" 1
24 1 118 GLU H 1 118 GLU QB 2.900 . 3.900 2.954 2.664 3.225 . 0 0 "[ . 1 .]" 1
25 1 118 GLU H 1 118 GLU QG 2.900 . 3.900 2.706 2.198 3.701 . 0 0 "[ . 1 .]" 1
26 1 118 GLU H 1 118 GLU HA 2.900 . 2.900 2.935 2.920 2.951 0.051 4 0 "[ . 1 .]" 1
27 1 119 ILE H 1 119 ILE HA 2.900 . 2.900 2.961 2.950 2.970 0.070 4 0 "[ . 1 .]" 1
28 1 119 ILE H 1 119 ILE HB 2.900 . 2.900 2.676 2.573 2.822 . 0 0 "[ . 1 .]" 1
29 1 119 ILE H 1 119 ILE MD 5.000 . 6.500 3.460 3.036 3.890 . 0 0 "[ . 1 .]" 1
30 1 120 SER H 1 120 SER QB 3.500 . 4.500 2.499 2.367 2.810 . 0 0 "[ . 1 .]" 1
31 1 123 GLU H 1 123 GLU QB 2.900 . 3.900 2.321 2.254 2.388 . 0 0 "[ . 1 .]" 1
32 1 125 ARG H 1 125 ARG HA 2.900 . 2.900 2.804 2.755 2.837 . 0 0 "[ . 1 .]" 1
33 1 125 ARG H 1 125 ARG QB 2.900 . 3.900 2.271 2.236 2.372 . 0 0 "[ . 1 .]" 1
34 1 125 ARG H 1 125 ARG QG 2.900 . 3.900 3.623 2.259 4.041 0.141 5 0 "[ . 1 .]" 1
35 1 127 ALA H 1 127 ALA HA 2.900 . 2.900 2.854 2.832 2.910 0.010 6 0 "[ . 1 .]" 1
36 1 127 ALA H 1 127 ALA MB 2.900 . 4.400 2.229 2.178 2.288 . 0 0 "[ . 1 .]" 1
37 1 128 MET H 1 128 MET HA 2.900 . 2.900 2.779 2.724 2.834 . 0 0 "[ . 1 .]" 1
38 1 132 LEU H 1 132 LEU QB 2.900 . 3.900 2.746 2.156 3.297 . 0 0 "[ . 1 .]" 1
39 1 143 GLU H 1 143 GLU HA 2.900 . 2.900 2.926 2.912 2.935 0.035 11 0 "[ . 1 .]" 1
40 1 143 GLU H 1 143 GLU QB 2.900 . 3.900 2.402 2.307 2.672 . 0 0 "[ . 1 .]" 1
41 1 144 ILE H 1 144 ILE HA 2.900 . 2.900 2.832 2.819 2.845 . 0 0 "[ . 1 .]" 1
42 1 145 ILE H 1 145 ILE HB 2.900 . 2.900 2.471 2.367 2.562 . 0 0 "[ . 1 .]" 1
43 1 145 ILE H 1 145 ILE QG 3.500 . 4.500 3.990 3.943 4.063 . 0 0 "[ . 1 .]" 1
44 1 145 ILE H 1 145 ILE MD 3.500 . 5.000 4.127 3.829 4.290 . 0 0 "[ . 1 .]" 1
45 1 143 GLU H 1 143 GLU HG3 3.500 . 4.500 3.643 2.533 4.701 0.201 2 0 "[ . 1 .]" 1
46 1 143 GLU H 1 143 GLU HG2 2.900 . 4.400 3.402 1.867 4.424 0.024 2 0 "[ . 1 .]" 1
47 1 148 VAL H 1 148 VAL HA 2.900 . 2.900 2.873 2.822 2.923 0.023 13 0 "[ . 1 .]" 1
48 1 148 VAL H 1 148 VAL HB 2.900 . 2.900 2.553 2.425 2.658 . 0 0 "[ . 1 .]" 1
49 1 148 VAL H 1 148 VAL MG1 2.900 . 4.400 3.758 3.738 3.787 . 0 0 "[ . 1 .]" 1
50 1 149 ASP H 1 149 ASP HA 2.900 . 2.900 2.900 2.855 2.937 0.037 12 0 "[ . 1 .]" 1
51 1 149 ASP H 1 149 ASP QB 2.900 . 3.900 2.308 2.265 2.359 . 0 0 "[ . 1 .]" 1
52 1 150 LEU H 1 150 LEU HA 2.900 . 2.900 2.883 2.723 2.949 0.049 10 0 "[ . 1 .]" 1
53 1 150 LEU H 1 150 LEU QD 2.900 . 5.300 3.319 3.140 4.084 . 0 0 "[ . 1 .]" 1
54 1 150 LEU H 1 150 LEU QB 2.900 . 3.900 2.327 2.069 3.065 . 0 0 "[ . 1 .]" 1
55 1 151 ASN H 1 151 ASN HA 2.900 . 2.900 2.939 2.846 2.968 0.068 10 0 "[ . 1 .]" 1
56 1 151 ASN H 1 151 ASN QB 2.900 . 3.900 2.635 2.278 3.090 . 0 0 "[ . 1 .]" 1
57 1 153 ASP H 1 153 ASP HA 2.900 . 2.900 2.916 2.850 2.961 0.061 4 0 "[ . 1 .]" 1
58 1 153 ASP H 1 153 ASP QB 2.900 . 3.900 2.869 2.496 3.269 . 0 0 "[ . 1 .]" 1
59 1 155 ARG H 1 155 ARG HA 2.900 . 2.900 2.939 2.916 2.960 0.060 12 0 "[ . 1 .]" 1
60 1 156 VAL H 1 156 VAL HB 3.500 . 3.500 2.754 2.533 2.930 . 0 0 "[ . 1 .]" 1
61 1 156 VAL H 1 156 VAL MG2 3.500 . 5.000 2.601 2.322 2.915 . 0 0 "[ . 1 .]" 1
62 1 161 PHE H 1 161 PHE QB 3.500 . 4.500 2.253 2.243 2.260 . 0 0 "[ . 1 .]" 1
63 1 162 VAL H 1 162 VAL MG2 2.900 . 4.400 2.189 2.129 2.260 . 0 0 "[ . 1 .]" 1
64 1 162 VAL H 1 162 VAL MG1 3.500 . 5.000 3.739 3.731 3.746 . 0 0 "[ . 1 .]" 1
65 1 163 ARG H 1 163 ARG HA 2.900 . 2.900 2.786 2.754 2.816 . 0 0 "[ . 1 .]" 1
66 1 163 ARG H 1 163 ARG QB 2.900 . 3.900 2.312 2.221 2.455 . 0 0 "[ . 1 .]" 1
67 1 164 MET H 1 164 MET HA 2.900 . 2.900 2.811 2.793 2.839 . 0 0 "[ . 1 .]" 1
68 1 164 MET H 1 164 MET QB 2.900 . 3.900 2.265 2.249 2.358 . 0 0 "[ . 1 .]" 1
69 1 101 VAL HA 1 101 VAL HB 2.900 . 2.900 2.854 2.498 3.024 0.124 1 0 "[ . 1 .]" 1
70 1 101 VAL HA 1 101 VAL MG1 2.900 . 4.400 2.321 2.248 2.395 . 0 0 "[ . 1 .]" 1
71 1 101 VAL HA 1 101 VAL MG2 2.900 . 4.400 2.619 2.296 3.189 . 0 0 "[ . 1 .]" 1
72 1 113 THR HA 1 113 THR HB 2.900 . 2.900 3.011 3.001 3.027 0.127 5 0 "[ . 1 .]" 1
73 1 119 ILE HA 1 119 ILE MD 3.300 . 4.800 3.046 2.084 3.861 . 0 0 "[ . 1 .]" 1
74 1 119 ILE HA 1 119 ILE MG 2.900 . 4.400 2.263 2.194 2.326 . 0 0 "[ . 1 .]" 1
75 1 119 ILE HB 1 119 ILE MD 2.900 . 4.400 2.714 2.232 3.211 . 0 0 "[ . 1 .]" 1
76 1 119 ILE MD 1 119 ILE MG 2.900 . 5.900 1.880 1.772 1.995 0.028 12 0 "[ . 1 .]" 1
77 1 121 THR HA 1 121 THR HG1 3.300 . 4.800 2.396 2.242 2.571 . 0 0 "[ . 1 .]" 1
78 1 124 LEU HA 1 124 LEU MD1 2.900 . 4.400 3.649 2.130 3.827 . 0 0 "[ . 1 .]" 1
79 1 124 LEU QB 1 124 LEU MD1 2.900 . 5.400 2.103 2.082 2.158 . 0 0 "[ . 1 .]" 1
80 1 125 ARG HA 1 125 ARG QG 2.900 . 3.900 2.352 2.260 2.561 . 0 0 "[ . 1 .]" 1
81 1 131 LEU HA 1 131 LEU MD2 2.900 . 4.400 3.776 3.635 3.826 . 0 0 "[ . 1 .]" 1
82 1 131 LEU QB 1 131 LEU MD2 2.900 . 5.400 2.101 2.087 2.109 . 0 0 "[ . 1 .]" 1
83 1 132 LEU QB 1 132 LEU MD1 2.900 . 5.400 2.180 2.105 2.306 . 0 0 "[ . 1 .]" 1
84 1 135 GLN HA 1 135 GLN QG 2.900 . 3.900 2.647 2.282 3.303 . 0 0 "[ . 1 .]" 1
85 1 136 VAL HA 1 136 VAL MG2 2.900 . 4.400 2.683 2.275 3.194 . 0 0 "[ . 1 .]" 1
86 1 136 VAL HA 1 136 VAL MG1 2.900 . 4.400 2.494 2.240 3.194 . 0 0 "[ . 1 .]" 1
87 1 136 VAL HA 1 136 VAL HB 2.900 . 2.900 2.689 2.423 3.028 0.128 5 0 "[ . 1 .]" 1
88 1 141 ILE HA 1 141 ILE MD 2.900 . 4.400 3.476 2.076 3.858 . 0 0 "[ . 1 .]" 1
89 1 141 ILE HB 1 141 ILE MD 2.900 . 4.400 2.467 2.154 3.199 . 0 0 "[ . 1 .]" 1
90 1 141 ILE HA 1 141 ILE MG 2.900 . 4.400 2.283 2.210 2.319 . 0 0 "[ . 1 .]" 1
91 1 144 ILE HA 1 144 ILE MD 2.900 . 4.400 3.764 3.669 3.829 . 0 0 "[ . 1 .]" 1
92 1 144 ILE HA 1 144 ILE HB 2.900 . 2.900 2.849 2.506 3.026 0.126 5 0 "[ . 1 .]" 1
93 1 144 ILE MD 1 144 ILE MG 2.900 . 5.900 1.945 1.815 2.127 . 0 0 "[ . 1 .]" 1
94 1 145 ILE HA 1 145 ILE MD 2.900 . 4.400 3.064 2.067 3.720 . 0 0 "[ . 1 .]" 1
95 1 145 ILE HB 1 145 ILE MD 2.900 . 4.400 2.252 2.173 2.324 . 0 0 "[ . 1 .]" 1
96 1 148 VAL HA 1 148 VAL QG 2.900 . 5.300 2.072 2.041 2.101 . 0 0 "[ . 1 .]" 1
97 1 148 VAL HA 1 148 VAL HB 2.900 . 2.900 3.012 3.002 3.027 0.127 5 0 "[ . 1 .]" 1
98 1 150 LEU HA 1 150 LEU MD2 2.900 . 4.400 2.193 2.119 2.288 . 0 0 "[ . 1 .]" 1
99 1 150 LEU QB 1 150 LEU MD2 2.900 . 5.400 2.158 2.103 2.232 . 0 0 "[ . 1 .]" 1
100 1 155 ARG HA 1 155 ARG QD 3.300 . 4.300 4.012 3.641 4.368 0.068 2 0 "[ . 1 .]" 1
101 1 155 ARG HA 1 155 ARG QG 2.900 . 3.900 2.578 2.274 3.389 . 0 0 "[ . 1 .]" 1
102 1 155 ARG QB 1 155 ARG QD 3.300 . 5.300 2.230 2.121 2.379 . 0 0 "[ . 1 .]" 1
103 1 156 VAL HA 1 156 VAL MG2 2.900 . 4.400 2.446 2.276 2.548 . 0 0 "[ . 1 .]" 1
104 1 156 VAL HA 1 156 VAL MG1 2.900 . 4.400 2.286 2.220 2.389 . 0 0 "[ . 1 .]" 1
105 1 159 GLU HA 1 159 GLU HG2 2.900 . 4.400 2.982 2.291 3.679 . 0 0 "[ . 1 .]" 1
106 1 161 PHE HA 1 161 PHE QD 3.300 . 5.300 2.606 2.475 3.030 . 0 0 "[ . 1 .]" 1
107 1 162 VAL HA 1 162 VAL MG2 2.900 . 4.400 2.312 2.248 2.353 . 0 0 "[ . 1 .]" 1
108 1 162 VAL HA 1 162 VAL HB 2.900 . 2.900 3.013 3.006 3.028 0.128 5 0 "[ . 1 .]" 1
109 1 162 VAL HA 1 162 VAL MG1 2.900 . 4.400 2.361 2.318 2.400 . 0 0 "[ . 1 .]" 1
110 1 162 VAL MG1 1 162 VAL MG2 2.900 . 5.900 2.072 2.033 2.083 . 0 0 "[ . 1 .]" 1
111 1 165 MET HA 1 165 MET ME 2.900 . 4.400 3.847 3.054 4.465 0.065 1 0 "[ . 1 .]" 1
112 1 99 ILE QG 1 100 GLY H 5.000 . 6.500 3.712 2.246 4.714 . 0 0 "[ . 1 .]" 1
113 1 99 ILE MG 1 100 GLY H 3.500 . 5.000 3.300 1.868 4.161 . 0 0 "[ . 1 .]" 1
114 1 101 VAL HB 1 102 LYS H 3.500 . 3.500 3.109 2.529 3.659 0.159 5 0 "[ . 1 .]" 1
115 1 101 VAL MG2 1 102 LYS H 3.500 . 5.000 3.268 1.927 4.088 . 0 0 "[ . 1 .]" 1
116 1 104 LEU H 1 105 ARG H 3.500 . 3.500 2.376 2.259 2.730 . 0 0 "[ . 1 .]" 1
117 1 104 LEU HA 1 105 ARG H 5.000 . 5.000 3.552 3.530 3.572 . 0 0 "[ . 1 .]" 1
118 1 104 LEU QD 1 105 ARG H 5.000 . 7.000 3.850 3.239 4.062 . 0 0 "[ . 1 .]" 1
119 1 105 ARG H 1 106 ASP H 2.900 . 2.900 2.627 2.524 2.699 . 0 0 "[ . 1 .]" 1
120 1 105 ARG H 1 106 ASP QB 5.000 . 6.000 4.487 4.299 4.648 . 0 0 "[ . 1 .]" 1
121 1 105 ARG HA 1 106 ASP H 3.500 . 3.500 3.512 3.417 3.542 0.042 3 0 "[ . 1 .]" 1
122 1 105 ARG QB 1 106 ASP H 2.900 . 3.900 2.681 2.521 3.072 . 0 0 "[ . 1 .]" 1
123 1 106 ASP QB 1 107 ALA H 2.900 . 3.900 2.575 2.454 3.319 . 0 0 "[ . 1 .]" 1
124 1 107 ALA H 1 108 PHE H 3.500 . 3.500 2.632 2.596 2.670 . 0 0 "[ . 1 .]" 1
125 1 107 ALA H 1 108 PHE QB 5.000 . 6.000 4.385 4.355 4.409 . 0 0 "[ . 1 .]" 1
126 1 107 ALA MB 1 108 PHE H 2.900 . 3.900 2.563 2.498 2.620 . 0 0 "[ . 1 .]" 1
127 1 108 PHE H 1 109 ARG H 2.900 . 2.900 2.732 2.694 2.825 . 0 0 "[ . 1 .]" 1
128 1 108 PHE QB 1 109 ARG H 3.500 . 4.500 2.451 2.341 2.570 . 0 0 "[ . 1 .]" 1
129 1 109 ARG H 1 110 GLU H 3.500 . 3.500 2.692 2.577 2.811 . 0 0 "[ . 1 .]" 1
130 1 110 GLU HA 1 111 PHE H 3.500 . 3.500 3.538 3.384 3.573 0.073 1 0 "[ . 1 .]" 1
131 1 111 PHE QB 1 112 ASP H 3.500 . 4.500 2.587 2.449 3.262 . 0 0 "[ . 1 .]" 1
132 1 112 ASP HA 1 113 THR H 2.900 . 2.900 2.438 2.216 2.682 . 0 0 "[ . 1 .]" 1
133 1 113 THR H 1 114 ASN H 2.900 . 2.900 2.629 2.272 2.709 . 0 0 "[ . 1 .]" 1
134 1 113 THR HB 1 114 ASN H 2.900 . 2.900 2.612 2.515 2.935 0.035 6 0 "[ . 1 .]" 1
135 1 113 THR MG 1 114 ASN H 3.500 . 5.000 3.600 3.339 3.787 . 0 0 "[ . 1 .]" 1
136 1 114 ASN H 1 115 GLY H 2.900 . 2.900 2.580 2.156 2.752 . 0 0 "[ . 1 .]" 1
137 1 114 ASN HA 1 115 GLY H 3.500 . 3.500 3.502 3.396 3.547 0.047 1 0 "[ . 1 .]" 1
138 1 117 GLY H 1 118 GLU QB 5.000 . 6.000 4.972 4.617 5.229 . 0 0 "[ . 1 .]" 1
139 1 117 GLY H 1 118 GLU QG 5.000 . 6.000 4.412 3.508 5.392 . 0 0 "[ . 1 .]" 1
140 1 117 GLY H 1 118 GLU H 2.900 . 2.900 2.379 1.777 2.518 0.023 11 0 "[ . 1 .]" 1
141 1 117 GLY QA 1 118 GLU H 2.900 . 3.900 2.917 2.896 2.927 . 0 0 "[ . 1 .]" 1
142 1 118 GLU H 1 119 ILE MG 5.000 . 6.500 6.065 5.830 6.204 . 0 0 "[ . 1 .]" 1
143 1 118 GLU H 1 119 ILE H 5.000 . 5.000 4.403 4.385 4.425 . 0 0 "[ . 1 .]" 1
144 1 118 GLU QB 1 119 ILE H 3.500 . 4.500 2.547 2.487 2.631 . 0 0 "[ . 1 .]" 1
145 1 119 ILE HA 1 120 SER H 2.900 . 2.900 2.135 2.119 2.149 . 0 0 "[ . 1 .]" 1
146 1 119 ILE HB 1 120 SER H 5.000 . 5.000 4.214 4.159 4.328 . 0 0 "[ . 1 .]" 1
147 1 119 ILE MG 1 120 SER H 2.900 . 4.400 2.894 2.713 3.015 . 0 0 "[ . 1 .]" 1
148 1 119 ILE MD 1 120 SER H 5.000 . 6.000 4.597 3.698 5.356 . 0 0 "[ . 1 .]" 1
149 1 120 SER H 1 121 THR H 5.000 . 5.000 4.405 4.315 4.530 . 0 0 "[ . 1 .]" 1
150 1 122 SER QB 1 123 GLU H 3.500 . 4.500 3.318 2.906 3.743 . 0 0 "[ . 1 .]" 1
151 1 123 GLU H 1 124 LEU H 5.000 . 5.000 2.517 2.396 2.856 . 0 0 "[ . 1 .]" 1
152 1 123 GLU H 1 124 LEU QB 5.000 . 6.000 4.433 4.049 4.589 . 0 0 "[ . 1 .]" 1
153 1 123 GLU HA 1 124 LEU H 5.000 . 5.000 3.462 3.374 3.576 . 0 0 "[ . 1 .]" 1
154 1 124 LEU H 1 125 ARG H 5.000 . 5.000 2.509 2.216 2.811 . 0 0 "[ . 1 .]" 1
155 1 125 ARG H 1 126 GLU H 3.500 . 3.500 2.734 2.620 2.853 . 0 0 "[ . 1 .]" 1
156 1 126 GLU H 1 127 ALA H 2.900 . 2.900 2.615 2.555 2.717 . 0 0 "[ . 1 .]" 1
157 1 127 ALA H 1 128 MET H 2.900 . 2.900 2.557 2.321 2.654 . 0 0 "[ . 1 .]" 1
158 1 127 ALA HA 1 128 MET H 3.500 . 3.500 3.528 3.430 3.555 0.055 11 0 "[ . 1 .]" 1
159 1 127 ALA MB 1 128 MET H 2.900 . 3.900 2.566 2.386 2.955 . 0 0 "[ . 1 .]" 1
160 1 128 MET H 1 129 ARG H 2.900 . 2.900 2.776 2.621 2.923 0.023 7 0 "[ . 1 .]" 1
161 1 131 LEU H 1 132 LEU H 3.500 . 3.500 2.698 2.636 2.839 . 0 0 "[ . 1 .]" 1
162 1 132 LEU H 1 133 GLY QA 5.000 . 6.000 4.360 3.731 4.679 . 0 0 "[ . 1 .]" 1
163 1 132 LEU H 1 133 GLY H 2.900 . 2.900 2.500 2.006 2.838 . 0 0 "[ . 1 .]" 1
164 1 132 LEU HA 1 133 GLY H 3.500 . 3.500 3.301 3.075 3.559 0.059 1 0 "[ . 1 .]" 1
165 1 132 LEU QB 1 133 GLY H 5.000 . 6.000 3.145 2.363 3.650 . 0 0 "[ . 1 .]" 1
166 1 132 LEU QD 1 133 GLY H 5.000 . 7.000 4.092 3.524 4.488 . 0 0 "[ . 1 .]" 1
167 1 136 VAL HA 1 137 GLY H 3.500 . 3.500 2.811 2.153 3.556 0.056 5 0 "[ . 1 .]" 1
168 1 136 VAL HB 1 137 GLY H 5.000 . 5.000 3.610 2.493 4.467 . 0 0 "[ . 1 .]" 1
169 1 136 VAL MG2 1 137 GLY H 5.000 . 6.500 3.426 1.916 4.064 . 0 0 "[ . 1 .]" 1
170 1 142 GLU H 1 143 GLU H 2.900 . 2.900 2.493 2.232 2.764 . 0 0 "[ . 1 .]" 1
171 1 143 GLU HA 1 144 ILE H 3.500 . 3.500 3.509 3.444 3.540 0.040 6 0 "[ . 1 .]" 1
172 1 144 ILE H 1 145 ILE H 2.900 . 2.900 2.635 2.575 2.680 . 0 0 "[ . 1 .]" 1
173 1 145 ILE HA 1 146 ARG H 3.500 . 3.500 3.514 3.479 3.542 0.042 5 0 "[ . 1 .]" 1
174 1 145 ILE MG 1 146 ARG H 3.500 . 5.000 2.028 1.810 2.228 . 0 0 "[ . 1 .]" 1
175 1 147 ASP HA 1 148 VAL H 3.500 . 3.500 3.542 3.464 3.569 0.069 12 0 "[ . 1 .]" 1
176 1 147 ASP QB 1 148 VAL H 2.900 . 3.900 2.493 2.090 2.912 . 0 0 "[ . 1 .]" 1
177 1 148 VAL H 1 149 ASP QB 5.000 . 6.000 4.378 4.105 4.649 . 0 0 "[ . 1 .]" 1
178 1 148 VAL H 1 149 ASP H 2.900 . 2.900 2.514 2.257 2.719 . 0 0 "[ . 1 .]" 1
179 1 149 ASP HA 1 150 LEU H 2.900 . 2.900 2.571 2.332 2.770 . 0 0 "[ . 1 .]" 1
180 1 149 ASP QB 1 150 LEU H 3.500 . 4.500 3.940 3.177 4.042 . 0 0 "[ . 1 .]" 1
181 1 150 LEU H 1 151 ASN H 2.900 . 2.900 2.705 1.732 2.927 0.068 12 0 "[ . 1 .]" 1
182 1 150 LEU HA 1 151 ASN H 2.900 . 2.900 3.032 2.909 3.155 0.255 4 0 "[ . 1 .]" 1
183 1 150 LEU QB 1 151 ASN H 2.900 . 3.900 3.663 3.454 3.794 . 0 0 "[ . 1 .]" 1
184 1 150 LEU QD 1 151 ASN H 5.000 . 5.500 4.439 4.295 4.502 . 0 0 "[ . 1 .]" 1
185 1 151 ASN H 1 152 GLY QA 3.500 . 4.500 4.081 3.818 4.447 . 0 0 "[ . 1 .]" 1
186 1 151 ASN H 1 152 GLY H 5.000 . 5.000 2.121 1.797 2.608 0.003 2 0 "[ . 1 .]" 1
187 1 151 ASN HA 1 152 GLY H 3.500 . 3.500 3.416 3.280 3.538 0.038 4 0 "[ . 1 .]" 1
188 1 151 ASN QB 1 152 GLY H 5.000 . 6.000 3.305 2.543 3.862 . 0 0 "[ . 1 .]" 1
189 1 152 GLY H 1 153 ASP H 2.900 . 2.900 2.635 2.230 2.938 0.038 2 0 "[ . 1 .]" 1
190 1 152 GLY QA 1 153 ASP H 2.900 . 3.900 2.669 2.328 2.924 . 0 0 "[ . 1 .]" 1
191 1 153 ASP H 1 154 GLY H 2.900 . 2.900 1.988 1.680 2.527 0.120 15 0 "[ . 1 .]" 1
192 1 153 ASP HA 1 154 GLY H 3.500 . 3.500 3.473 3.385 3.548 0.048 13 0 "[ . 1 .]" 1
193 1 153 ASP QB 1 154 GLY H 5.000 . 6.000 3.334 2.484 3.748 . 0 0 "[ . 1 .]" 1
194 1 154 GLY H 1 155 ARG HA 5.000 . 5.000 4.930 4.813 5.050 0.050 12 0 "[ . 1 .]" 1
195 1 154 GLY H 1 155 ARG H 2.900 . 2.900 2.359 2.294 2.453 . 0 0 "[ . 1 .]" 1
196 1 154 GLY QA 1 155 ARG H 2.900 . 3.900 2.912 2.890 2.926 . 0 0 "[ . 1 .]" 1
197 1 155 ARG H 1 156 VAL H 5.000 . 5.000 4.406 4.362 4.424 . 0 0 "[ . 1 .]" 1
198 1 155 ARG HA 1 156 VAL H 2.900 . 2.900 2.421 2.185 2.650 . 0 0 "[ . 1 .]" 1
199 1 155 ARG QB 1 156 VAL H 3.500 . 4.500 2.591 1.911 3.647 . 0 0 "[ . 1 .]" 1
200 1 156 VAL HB 1 157 ASP H 5.000 . 5.000 4.269 4.118 4.480 . 0 0 "[ . 1 .]" 1
201 1 156 VAL MG1 1 157 ASP H 3.500 . 5.000 2.963 2.424 3.207 . 0 0 "[ . 1 .]" 1
202 1 156 VAL MG2 1 157 ASP H 5.000 . 6.500 4.190 3.829 4.328 . 0 0 "[ . 1 .]" 1
203 1 157 ASP HA 1 158 PHE H 5.000 . 5.000 2.731 2.578 2.919 . 0 0 "[ . 1 .]" 1
204 1 157 ASP QB 1 158 PHE H 5.000 . 6.000 1.989 1.780 2.831 0.020 3 0 "[ . 1 .]" 1
205 1 158 PHE H 1 159 GLU H 5.000 . 5.000 2.595 2.424 2.681 . 0 0 "[ . 1 .]" 1
206 1 158 PHE H 1 159 GLU HA 5.000 . 5.000 5.212 5.072 5.288 0.288 5 0 "[ . 1 .]" 1
207 1 159 GLU H 1 160 GLU H 3.500 . 3.500 2.676 2.587 2.796 . 0 0 "[ . 1 .]" 1
208 1 160 GLU H 1 161 PHE H 5.000 . 5.000 2.618 2.551 2.682 . 0 0 "[ . 1 .]" 1
209 1 161 PHE HA 1 162 VAL H 5.000 . 5.000 3.564 3.550 3.575 . 0 0 "[ . 1 .]" 1
210 1 161 PHE QD 1 162 VAL H 5.000 . 7.000 3.310 3.082 3.480 . 0 0 "[ . 1 .]" 1
211 1 162 VAL H 1 163 ARG H 3.500 . 3.500 2.665 2.571 2.762 . 0 0 "[ . 1 .]" 1
212 1 162 VAL HA 1 163 ARG H 3.500 . 3.500 3.542 3.500 3.557 0.057 1 0 "[ . 1 .]" 1
213 1 162 VAL MG2 1 163 ARG H 3.500 . 5.000 3.878 3.809 3.957 . 0 0 "[ . 1 .]" 1
214 1 162 VAL MG1 1 163 ARG H 2.900 . 4.400 3.296 3.165 3.536 . 0 0 "[ . 1 .]" 1
215 1 163 ARG H 1 164 MET H 2.900 . 2.900 2.757 2.676 2.805 . 0 0 "[ . 1 .]" 1
216 1 164 MET H 1 165 MET H 5.000 . 5.000 2.717 2.582 2.801 . 0 0 "[ . 1 .]" 1
217 1 101 VAL HA 1 104 LEU QB 2.900 . 3.900 2.421 2.091 2.840 . 0 0 "[ . 1 .]" 1
218 1 102 LYS HA 1 105 ARG QB 2.900 . 3.900 2.771 2.407 3.667 . 0 0 "[ . 1 .]" 1
219 1 103 GLU HA 1 106 ASP QB 2.900 . 3.900 2.895 2.313 3.158 . 0 0 "[ . 1 .]" 1
220 1 104 LEU HA 1 107 ALA MB 2.900 . 3.900 2.972 2.709 3.870 . 0 0 "[ . 1 .]" 1
221 1 105 ARG HA 1 108 PHE QB 2.900 . 3.900 2.657 2.480 2.850 . 0 0 "[ . 1 .]" 1
222 1 106 ASP HA 1 109 ARG QB 2.900 . 3.900 2.988 2.817 3.161 . 0 0 "[ . 1 .]" 1
223 1 107 ALA HA 1 110 GLU QB 2.900 . 3.900 2.775 2.316 3.428 . 0 0 "[ . 1 .]" 1
224 1 121 THR HA 1 124 LEU QB 2.900 . 3.900 3.545 2.803 3.909 0.009 7 0 "[ . 1 .]" 1
225 1 122 SER HA 1 125 ARG QB 2.900 . 3.900 3.173 2.529 3.807 . 0 0 "[ . 1 .]" 1
226 1 123 GLU HA 1 126 GLU QB 2.900 . 3.900 3.605 3.158 3.981 0.081 3 0 "[ . 1 .]" 1
227 1 124 LEU HA 1 127 ALA MB 2.900 . 3.900 2.581 2.280 2.773 . 0 0 "[ . 1 .]" 1
228 1 125 ARG HA 1 128 MET QB 2.900 . 3.900 2.698 2.391 3.003 . 0 0 "[ . 1 .]" 1
229 1 126 GLU HA 1 129 ARG QB 2.900 . 3.900 3.369 2.641 3.834 . 0 0 "[ . 1 .]" 1
230 1 127 ALA HA 1 130 LYS QB 2.900 . 3.900 2.898 2.338 3.966 0.066 6 0 "[ . 1 .]" 1
231 1 128 MET HA 1 131 LEU QB 2.900 . 3.900 2.466 2.201 2.796 . 0 0 "[ . 1 .]" 1
232 1 141 ILE HA 1 144 ILE HB 2.900 . 3.900 3.302 2.937 3.903 0.003 2 0 "[ . 1 .]" 1
233 1 142 GLU HA 1 145 ILE HB 2.900 . 3.900 3.885 3.749 3.954 0.054 1 0 "[ . 1 .]" 1
234 1 143 GLU HA 1 146 ARG QB 2.900 . 3.900 3.094 2.766 3.650 . 0 0 "[ . 1 .]" 1
235 1 144 ILE HA 1 147 ASP QB 2.900 . 3.900 3.071 2.703 3.610 . 0 0 "[ . 1 .]" 1
236 1 145 ILE HA 1 148 VAL HB 2.900 . 3.900 2.972 2.426 3.408 . 0 0 "[ . 1 .]" 1
237 1 158 PHE HA 1 161 PHE QB 2.900 . 3.900 2.583 2.326 2.781 . 0 0 "[ . 1 .]" 1
238 1 159 GLU HA 1 162 VAL HB 2.900 . 3.900 3.270 3.096 3.454 . 0 0 "[ . 1 .]" 1
239 1 160 GLU HA 1 163 ARG QB 2.900 . 3.900 2.589 2.399 3.014 . 0 0 "[ . 1 .]" 1
240 1 161 PHE HA 1 164 MET QB 2.900 . 3.900 3.064 2.734 3.563 . 0 0 "[ . 1 .]" 1
241 1 162 VAL HA 1 165 MET QB 2.900 . 3.900 3.015 2.506 3.891 . 0 0 "[ . 1 .]" 1
242 1 163 ARG HA 1 166 SER QB 2.900 . 3.900 2.876 2.294 3.609 . 0 0 "[ . 1 .]" 1
243 1 100 GLY H 1 102 LYS QB 3.500 . 4.500 3.743 2.775 4.592 0.092 3 0 "[ . 1 .]" 1
244 1 101 VAL HA 1 104 LEU H 5.000 . 5.000 3.533 3.418 3.696 . 0 0 "[ . 1 .]" 1
245 1 102 LYS QB 1 104 LEU H 2.900 . 3.900 4.128 3.996 4.240 0.340 10 0 "[ . 1 .]" 1
246 1 104 LEU H 1 106 ASP H 3.500 . 3.500 3.657 3.499 3.769 0.269 6 0 "[ . 1 .]" 1
247 1 104 LEU QD 1 107 ALA H 3.500 . 6.000 4.708 3.828 4.943 . 0 0 "[ . 1 .]" 1
248 1 105 ARG HA 1 108 PHE H 3.500 . 3.500 3.408 3.170 3.516 0.016 11 0 "[ . 1 .]" 1
249 1 106 ASP HA 1 109 ARG H 3.500 . 3.500 3.570 3.509 3.622 0.122 6 0 "[ . 1 .]" 1
250 1 106 ASP HA 1 110 GLU H 5.000 . 5.000 4.430 4.033 4.720 . 0 0 "[ . 1 .]" 1
251 1 107 ALA H 1 109 ARG H 5.000 . 5.000 4.274 4.216 4.403 . 0 0 "[ . 1 .]" 1
252 1 107 ALA H 1 110 GLU H 5.000 . 5.000 4.858 4.639 5.049 0.049 3 0 "[ . 1 .]" 1
253 1 108 PHE H 1 110 GLU H 5.000 . 5.000 4.111 3.952 4.270 . 0 0 "[ . 1 .]" 1
254 1 108 PHE HA 1 110 GLU H 5.000 . 5.000 4.351 4.110 4.491 . 0 0 "[ . 1 .]" 1
255 1 108 PHE HA 1 111 PHE H 5.000 . 5.000 3.752 3.420 4.030 . 0 0 "[ . 1 .]" 1
256 1 109 ARG HA 1 112 ASP H 3.500 . 3.500 3.346 3.090 3.491 . 0 0 "[ . 1 .]" 1
257 1 111 PHE H 1 113 THR HG1 5.000 . 6.500 5.783 4.878 6.424 . 0 0 "[ . 1 .]" 1
258 1 112 ASP QB 1 114 ASN H 5.000 . 6.000 4.655 3.876 5.146 . 0 0 "[ . 1 .]" 1
259 1 112 ASP QB 1 115 GLY H 5.000 . 6.000 3.408 2.576 4.196 . 0 0 "[ . 1 .]" 1
260 1 113 THR HB 1 115 GLY H 5.000 . 5.000 4.916 4.658 5.104 0.104 9 0 "[ . 1 .]" 1
261 1 113 THR HG1 1 115 GLY H 5.000 . 6.500 4.775 4.454 5.041 . 0 0 "[ . 1 .]" 1
262 1 115 GLY H 1 117 GLY H 5.000 . 5.000 3.801 3.570 4.258 . 0 0 "[ . 1 .]" 1
263 1 119 ILE HA 1 123 GLU H 5.000 . 5.000 5.113 5.011 5.225 0.225 11 0 "[ . 1 .]" 1
264 1 119 ILE MG 1 123 GLU H 3.500 . 5.000 4.078 3.905 4.231 . 0 0 "[ . 1 .]" 1
265 1 120 SER H 1 123 GLU QB 3.500 . 4.500 1.932 1.742 2.294 0.058 9 0 "[ . 1 .]" 1
266 1 120 SER H 1 123 GLU H 5.000 . 5.000 3.396 3.246 3.548 . 0 0 "[ . 1 .]" 1
267 1 121 THR H 1 123 GLU H 3.500 . 3.500 3.702 3.620 3.748 0.248 8 0 "[ . 1 .]" 1
268 1 131 LEU H 1 133 GLY H 5.000 . 5.000 4.283 3.672 4.664 . 0 0 "[ . 1 .]" 1
269 1 150 LEU H 1 152 GLY H 5.000 . 5.000 4.554 3.753 4.897 . 0 0 "[ . 1 .]" 1
270 1 150 LEU HA 1 152 GLY H 5.000 . 5.000 3.707 3.165 4.063 . 0 0 "[ . 1 .]" 1
271 1 150 LEU QB 1 152 GLY H 5.000 . 6.000 4.979 4.644 5.169 . 0 0 "[ . 1 .]" 1
272 1 150 LEU MD2 1 152 GLY H 5.000 . 6.500 5.214 4.112 5.608 . 0 0 "[ . 1 .]" 1
273 1 152 GLY H 1 154 GLY H 5.000 . 5.000 3.789 3.341 4.543 . 0 0 "[ . 1 .]" 1
274 1 152 GLY QA 1 154 GLY H 3.500 . 4.500 3.739 3.440 4.076 . 0 0 "[ . 1 .]" 1
275 1 156 VAL MG1 1 160 GLU H 5.000 . 6.500 4.220 4.108 4.400 . 0 0 "[ . 1 .]" 1
276 1 157 ASP QB 1 159 GLU H 5.000 . 6.000 2.838 2.471 3.325 . 0 0 "[ . 1 .]" 1
277 1 158 PHE QE 1 162 VAL H 5.000 . 7.000 5.449 5.078 5.801 . 0 0 "[ . 1 .]" 1
278 1 161 PHE H 1 163 ARG H 5.000 . 5.000 4.162 3.926 4.308 . 0 0 "[ . 1 .]" 1
279 1 162 VAL H 1 164 MET H 5.000 . 5.000 4.142 4.023 4.236 . 0 0 "[ . 1 .]" 1
280 1 99 ILE H 1 102 LYS QB 3.500 . 4.500 4.024 1.959 4.587 0.087 14 0 "[ . 1 .]" 1
281 1 149 ASP QB 1 152 GLY H 5.000 . 6.000 4.337 3.277 5.436 . 0 0 "[ . 1 .]" 1
282 1 149 ASP QB 1 151 ASN H 5.000 . 6.000 4.064 3.402 4.397 . 0 0 "[ . 1 .]" 1
283 1 114 ASN QB 1 115 GLY H 5.000 . 6.000 3.124 2.521 3.714 . 0 0 "[ . 1 .]" 1
284 1 112 ASP HA 1 115 GLY H 5.000 . 5.000 3.617 3.359 3.809 . 0 0 "[ . 1 .]" 1
285 1 112 ASP HA 1 114 ASN H 3.500 . 3.500 3.532 3.374 3.645 0.145 1 0 "[ . 1 .]" 1
286 1 124 LEU MD2 1 127 ALA H 3.500 . 5.000 4.524 3.771 4.865 . 0 0 "[ . 1 .]" 1
287 1 125 ARG HA 1 128 MET H 3.500 . 3.500 3.480 3.217 3.573 0.073 11 0 "[ . 1 .]" 1
288 1 145 ILE HA 1 147 ASP H 5.000 . 5.000 4.336 3.977 4.515 . 0 0 "[ . 1 .]" 1
289 1 101 VAL H 1 102 LYS H 5.000 . 5.000 2.696 2.525 2.873 . 0 0 "[ . 1 .]" 1
290 1 104 LEU QB 1 105 ARG H 3.500 . 4.500 2.483 2.259 2.666 . 0 0 "[ . 1 .]" 1
291 1 105 ARG H 1 107 ALA H 5.000 . 5.000 4.273 4.131 4.583 . 0 0 "[ . 1 .]" 1
292 1 101 VAL MG1 1 105 ARG H 5.000 . 6.500 4.008 3.134 5.368 . 0 0 "[ . 1 .]" 1
293 1 101 VAL MG1 1 104 LEU H 5.000 . 6.500 4.622 4.032 5.334 . 0 0 "[ . 1 .]" 1
294 1 108 PHE QD 1 109 ARG H 3.500 . 5.500 3.538 3.403 3.736 . 0 0 "[ . 1 .]" 1
295 1 104 LEU MD2 1 108 PHE H 5.000 . 6.500 5.765 5.121 6.603 0.103 11 0 "[ . 1 .]" 1
296 1 154 GLY H 1 156 VAL MG2 5.000 . 6.500 5.382 4.938 5.703 . 0 0 "[ . 1 .]" 1
297 1 145 ILE HA 1 148 VAL H 5.000 . 5.000 3.471 3.255 3.628 . 0 0 "[ . 1 .]" 1
298 1 159 GLU HA 1 162 VAL H 3.500 . 3.500 3.598 3.548 3.654 0.154 15 0 "[ . 1 .]" 1
299 1 159 GLU HA 1 161 PHE H 5.000 . 5.000 4.246 4.048 4.400 . 0 0 "[ . 1 .]" 1
300 1 160 GLU QB 1 161 PHE H 5.000 . 6.000 2.727 2.586 2.866 . 0 0 "[ . 1 .]" 1
301 1 157 ASP H 1 160 GLU QB 5.000 . 6.000 2.097 1.804 2.644 . 0 0 "[ . 1 .]" 1
302 1 157 ASP H 1 160 GLU QG 5.000 . 6.000 3.578 3.127 4.158 . 0 0 "[ . 1 .]" 1
303 1 158 PHE QD 1 159 GLU H 5.000 . 7.000 3.564 3.175 3.942 . 0 0 "[ . 1 .]" 1
304 1 152 GLY H 1 153 ASP QB 5.000 . 6.000 4.680 4.467 4.969 . 0 0 "[ . 1 .]" 1
305 1 145 ILE QG 1 146 ARG H 5.000 . 6.000 3.770 3.581 4.007 . 0 0 "[ . 1 .]" 1
306 1 120 SER H 1 123 GLU QG 2.900 . 3.900 2.778 1.753 3.696 0.047 3 0 "[ . 1 .]" 1
307 1 145 ILE HA 1 149 ASP H 5.000 . 5.000 3.524 3.151 3.897 . 0 0 "[ . 1 .]" 1
308 1 104 LEU MD1 1 107 ALA MB 2.900 . 5.400 4.729 3.093 5.478 0.078 13 0 "[ . 1 .]" 1
309 1 158 PHE QD 1 162 VAL MG2 3.300 . 6.800 3.609 3.192 4.023 . 0 0 "[ . 1 .]" 1
310 1 158 PHE QD 1 162 VAL MG1 5.000 . 8.500 5.659 5.307 6.017 . 0 0 "[ . 1 .]" 1
311 1 158 PHE QE 1 162 VAL MG2 2.900 . 6.400 3.113 2.648 3.567 . 0 0 "[ . 1 .]" 1
312 1 158 PHE QE 1 162 VAL MG1 2.900 . 6.400 4.864 4.392 5.275 . 0 0 "[ . 1 .]" 1
313 1 159 GLU HA 1 162 VAL MG2 3.300 . 4.800 3.413 2.770 3.618 . 0 0 "[ . 1 .]" 1
314 1 98 MET QB 1 99 ILE MG 2.900 . 5.400 4.018 2.537 5.392 . 0 0 "[ . 1 .]" 1
315 1 112 ASP HA 1 113 THR HA 5.000 . 5.000 4.594 4.464 4.686 . 0 0 "[ . 1 .]" 1
316 1 108 PHE HA 1 158 PHE QE 5.000 . 7.400 6.344 5.157 6.787 . 0 0 "[ . 1 .]" 1
317 1 108 PHE QB 1 158 PHE QE 5.000 . 8.000 3.623 2.675 3.984 . 0 0 "[ . 1 .]" 1
318 1 108 PHE QB 1 158 PHE QD 3.300 . 6.300 3.125 2.418 3.699 . 0 0 "[ . 1 .]" 1
319 1 159 GLU HA 1 162 VAL QG 3.300 . 4.300 3.322 2.750 3.500 . 0 0 "[ . 1 .]" 1
320 1 111 PHE QD 1 131 LEU MD2 2.900 . 6.400 5.992 4.987 6.454 0.054 15 0 "[ . 1 .]" 1
321 1 104 LEU MD2 1 161 PHE QE 2.900 . 6.400 3.526 2.366 4.716 . 0 0 "[ . 1 .]" 1
322 1 101 VAL MG2 1 158 PHE QE 2.900 . 6.400 4.628 3.472 5.296 . 0 0 "[ . 1 .]" 1
323 1 101 VAL MG1 1 158 PHE QE 2.900 . 6.400 3.446 2.781 4.173 . 0 0 "[ . 1 .]" 1
324 1 122 SER HA 1 124 LEU QD 5.000 . 7.400 5.420 4.590 6.606 . 0 0 "[ . 1 .]" 1
325 1 107 ALA MB 1 111 PHE QE 2.900 . 6.400 3.139 2.454 3.819 . 0 0 "[ . 1 .]" 1
326 1 104 LEU MD1 1 162 VAL MG2 2.900 . 5.900 2.990 2.025 4.518 . 0 0 "[ . 1 .]" 1
327 1 104 LEU HA 1 162 VAL MG2 3.300 . 4.800 4.740 4.449 4.890 0.090 2 0 "[ . 1 .]" 1
328 1 162 VAL MG1 1 163 ARG HA 2.900 . 4.400 3.344 3.241 3.503 . 0 0 "[ . 1 .]" 1
329 1 159 GLU HA 1 162 VAL MG1 3.300 . 4.800 4.607 4.436 4.802 0.002 4 0 "[ . 1 .]" 1
330 1 135 GLN QG 1 136 VAL MG2 2.900 . 5.400 4.760 2.090 5.470 0.070 14 0 "[ . 1 .]" 1
331 1 141 ILE MG 1 145 ILE MD 2.900 . 5.900 4.706 3.805 5.610 . 0 0 "[ . 1 .]" 1
332 1 101 VAL MG2 1 105 ARG QB 2.900 . 5.400 4.839 4.036 5.432 0.032 15 0 "[ . 1 .]" 1
333 1 135 GLN QB 1 136 VAL MG2 3.300 . 5.800 4.305 2.536 5.634 . 0 0 "[ . 1 .]" 1
334 1 128 MET QG 1 131 LEU MD2 2.900 . 5.400 4.165 3.155 4.866 . 0 0 "[ . 1 .]" 1
335 1 101 VAL HA 1 104 LEU MD1 3.300 . 4.800 2.976 2.279 4.814 0.014 2 0 "[ . 1 .]" 1
336 1 155 ARG HG2 1 156 VAL MG2 3.300 . 4.800 4.815 4.335 5.054 0.254 11 0 "[ . 1 .]" 1
337 1 156 VAL MG1 1 158 PHE HA 5.000 . 6.500 4.840 4.595 5.102 . 0 0 "[ . 1 .]" 1
338 1 156 VAL MG1 1 160 GLU QB 2.900 . 5.400 2.297 2.086 2.552 . 0 0 "[ . 1 .]" 1
339 1 156 VAL MG2 1 160 GLU QB 3.300 . 5.800 3.663 2.992 4.304 . 0 0 "[ . 1 .]" 1
340 1 155 ARG HA 1 156 VAL MG2 3.300 . 4.800 3.174 2.926 3.658 . 0 0 "[ . 1 .]" 1
341 1 161 PHE QE 1 165 MET ME 2.900 . 6.400 4.363 2.755 6.421 0.021 11 0 "[ . 1 .]" 1
342 1 161 PHE QD 1 162 VAL MG2 3.300 . 6.800 2.656 2.395 2.948 . 0 0 "[ . 1 .]" 1
343 1 104 LEU H 1 158 PHE QE 5.000 . 7.000 5.506 4.898 6.265 . 0 0 "[ . 1 .]" 1
344 1 105 ARG H 1 158 PHE QE 3.500 . 5.500 3.665 3.192 4.093 . 0 0 "[ . 1 .]" 1
345 1 106 ASP H 1 158 PHE QE 5.000 . 7.000 5.418 5.189 5.744 . 0 0 "[ . 1 .]" 1
346 1 107 ALA H 1 161 PHE QE 5.000 . 7.000 4.437 4.108 5.004 . 0 0 "[ . 1 .]" 1
347 1 107 ALA H 1 161 PHE HZ 5.000 . 5.000 4.977 4.828 5.053 0.053 1 0 "[ . 1 .]" 1
348 1 109 ARG H 1 158 PHE QE 5.000 . 7.000 6.221 5.654 6.826 . 0 0 "[ . 1 .]" 1
349 1 104 LEU QB 1 162 VAL HA 5.000 . 6.000 4.503 3.929 5.880 . 0 0 "[ . 1 .]" 1
350 1 104 LEU MD2 1 162 VAL HA 2.900 . 4.400 3.453 2.954 4.416 0.016 2 0 "[ . 1 .]" 1
351 1 105 ARG HA 1 158 PHE QE 3.300 . 5.300 2.410 2.321 2.910 . 0 0 "[ . 1 .]" 1
352 1 101 VAL MG2 1 162 VAL MG2 2.900 . 5.900 5.106 4.447 5.948 0.048 14 0 "[ . 1 .]" 1
353 1 101 VAL MG1 1 162 VAL MG2 3.300 . 6.300 4.343 3.624 4.839 . 0 0 "[ . 1 .]" 1
354 1 121 THR HB 1 145 ILE HB 5.000 . 5.000 4.293 3.556 4.922 . 0 0 "[ . 1 .]" 1
355 1 104 LEU QB 1 162 VAL MG2 3.300 . 5.800 2.779 2.438 3.798 . 0 0 "[ . 1 .]" 1
356 1 108 PHE H 1 158 PHE QE 3.500 . 5.500 5.100 4.066 5.524 0.024 11 0 "[ . 1 .]" 1
357 1 108 PHE QD 1 161 PHE H 5.000 . 7.000 4.928 4.652 5.281 . 0 0 "[ . 1 .]" 1
358 1 108 PHE H 1 161 PHE QD 5.000 . 7.000 4.575 4.359 5.033 . 0 0 "[ . 1 .]" 1
359 1 101 VAL HA 1 162 VAL MG2 3.300 . 4.800 4.675 4.227 4.948 0.148 1 0 "[ . 1 .]" 1
360 1 104 LEU MD2 1 165 MET ME 2.900 . 5.900 3.236 2.200 4.540 . 0 0 "[ . 1 .]" 1
361 1 108 PHE QD 1 156 VAL MG1 5.000 . 8.500 4.155 3.464 4.582 . 0 0 "[ . 1 .]" 1
362 1 108 PHE HZ 1 156 VAL MG1 5.000 . 6.500 4.816 4.187 5.533 . 0 0 "[ . 1 .]" 1
363 1 108 PHE QE 1 157 ASP HA 5.000 . 7.000 3.620 3.124 4.088 . 0 0 "[ . 1 .]" 1
364 1 108 PHE HZ 1 157 ASP HA 3.300 . 3.300 3.101 2.384 3.322 0.022 5 0 "[ . 1 .]" 1
365 1 119 ILE MG 1 161 PHE QE 3.300 . 6.800 5.756 5.339 6.382 . 0 0 "[ . 1 .]" 1
366 1 119 ILE MD 1 161 PHE QD 2.900 . 6.300 3.979 2.578 5.585 . 0 0 "[ . 1 .]" 1
367 1 119 ILE MD 1 161 PHE QE 2.900 . 6.300 4.554 3.181 6.073 . 0 0 "[ . 1 .]" 1
368 1 119 ILE MG 1 161 PHE QD 5.000 . 8.500 5.330 4.837 5.812 . 0 0 "[ . 1 .]" 1
369 1 108 PHE QE 1 118 GLU H 5.000 . 7.000 4.547 4.157 4.848 . 0 0 "[ . 1 .]" 1
370 1 108 PHE HZ 1 118 GLU H 5.000 . 5.000 4.266 3.946 4.666 . 0 0 "[ . 1 .]" 1
371 1 108 PHE QE 1 119 ILE H 3.500 . 6.000 4.060 3.764 4.524 . 0 0 "[ . 1 .]" 1
372 1 108 PHE HZ 1 119 ILE H 5.000 . 5.000 3.850 3.480 4.277 . 0 0 "[ . 1 .]" 1
373 1 111 PHE H 1 119 ILE MD 3.500 . 5.000 4.288 4.092 4.872 . 0 0 "[ . 1 .]" 1
374 1 112 ASP HA 1 118 GLU H 5.000 . 5.000 5.030 4.857 5.095 0.095 5 0 "[ . 1 .]" 1
375 1 112 ASP HA 1 119 ILE MG 5.000 . 6.500 4.125 3.491 4.556 . 0 0 "[ . 1 .]" 1
376 1 112 ASP H 1 119 ILE MD 3.500 . 5.000 3.392 2.379 4.598 . 0 0 "[ . 1 .]" 1
377 1 112 ASP H 1 119 ILE MG 3.500 . 5.000 4.998 4.542 5.096 0.096 9 0 "[ . 1 .]" 1
378 1 113 THR H 1 119 ILE MD 5.000 . 6.500 4.901 3.428 6.120 . 0 0 "[ . 1 .]" 1
379 1 113 THR H 1 119 ILE MG 5.000 . 6.500 5.027 4.175 5.779 . 0 0 "[ . 1 .]" 1
380 1 114 ASN H 1 123 GLU QB 5.000 . 6.000 4.965 4.163 5.648 . 0 0 "[ . 1 .]" 1
381 1 119 ILE MG 1 124 LEU H 3.500 . 5.000 3.421 2.145 3.976 . 0 0 "[ . 1 .]" 1
382 1 113 THR H 1 123 GLU QG 5.000 . 6.000 4.085 2.777 5.758 . 0 0 "[ . 1 .]" 1
383 1 119 ILE MG 1 124 LEU HA 2.900 . 4.400 3.369 2.460 3.834 . 0 0 "[ . 1 .]" 1
384 1 119 ILE MG 1 123 GLU QG 2.900 . 5.400 3.303 2.199 4.006 . 0 0 "[ . 1 .]" 1
385 1 119 ILE MG 1 123 GLU QB 2.900 . 5.400 2.120 1.970 2.294 . 0 0 "[ . 1 .]" 1
386 1 108 PHE HA 1 119 ILE MD 2.900 . 4.400 3.926 3.114 4.450 0.050 6 0 "[ . 1 .]" 1
387 1 108 PHE QE 1 118 GLU HA 5.000 . 7.000 3.601 3.427 3.725 . 0 0 "[ . 1 .]" 1
388 1 108 PHE HZ 1 118 GLU HA 5.000 . 5.000 2.341 2.303 2.513 . 0 0 "[ . 1 .]" 1
389 1 108 PHE QD 1 119 ILE MD 2.900 . 6.900 3.477 2.511 4.273 . 0 0 "[ . 1 .]" 1
390 1 108 PHE QE 1 119 ILE MD 2.900 . 6.400 3.017 2.242 3.776 . 0 0 "[ . 1 .]" 1
391 1 111 PHE QB 1 119 ILE QG 5.000 . 7.000 2.504 2.136 3.154 . 0 0 "[ . 1 .]" 1
392 1 111 PHE QB 1 119 ILE MD 2.900 . 5.400 2.180 1.988 2.530 . 0 0 "[ . 1 .]" 1
393 1 111 PHE QB 1 119 ILE MG 3.300 . 5.800 2.845 2.538 3.385 . 0 0 "[ . 1 .]" 1
394 1 111 PHE HA 1 127 ALA MB 2.900 . 3.900 3.126 2.421 3.875 . 0 0 "[ . 1 .]" 1
395 1 111 PHE QB 1 127 ALA MB 3.300 . 5.300 3.519 2.359 3.906 . 0 0 "[ . 1 .]" 1
396 1 111 PHE QD 1 127 ALA MB 2.900 . 5.900 2.243 2.036 2.738 . 0 0 "[ . 1 .]" 1
397 1 112 ASP HA 1 119 ILE HA 5.000 . 5.000 4.153 3.616 4.496 . 0 0 "[ . 1 .]" 1
398 1 112 ASP HA 1 119 ILE QG 5.000 . 6.500 3.864 3.152 4.835 . 0 0 "[ . 1 .]" 1
399 1 112 ASP HA 1 119 ILE MD 3.300 . 4.800 3.527 2.036 4.832 0.032 4 0 "[ . 1 .]" 1
400 1 112 ASP QB 1 119 ILE MD 3.300 . 4.800 3.392 2.202 4.836 0.036 2 0 "[ . 1 .]" 1
401 1 111 PHE QD 1 131 LEU MD1 2.900 . 6.400 5.677 4.344 6.405 0.005 11 0 "[ . 1 .]" 1
402 1 119 ILE H 1 156 VAL MG2 3.500 . 5.000 4.156 3.374 5.077 0.077 15 0 "[ . 1 .]" 1
403 1 118 GLU QG 1 157 ASP HA 5.000 . 6.000 4.433 2.749 5.981 . 0 0 "[ . 1 .]" 1
404 1 119 ILE MD 1 156 VAL MG1 3.300 . 5.900 3.697 2.383 5.089 . 0 0 "[ . 1 .]" 1
405 1 119 ILE H 1 157 ASP HA 5.000 . 5.000 4.358 3.852 4.807 . 0 0 "[ . 1 .]" 1
406 1 119 ILE H 1 156 VAL MG1 5.000 . 6.500 4.396 3.155 4.997 . 0 0 "[ . 1 .]" 1
407 1 119 ILE HB 1 156 VAL H 5.000 . 5.000 3.480 2.997 4.416 . 0 0 "[ . 1 .]" 1
408 1 118 GLU HA 1 157 ASP HA 3.300 . 3.300 3.365 3.268 3.416 0.116 13 0 "[ . 1 .]" 1
409 1 119 ILE HB 1 156 VAL MG2 2.900 . 4.400 2.958 2.265 3.848 . 0 0 "[ . 1 .]" 1
410 1 148 VAL H 1 156 VAL MG2 5.000 . 6.500 5.068 4.495 5.745 . 0 0 "[ . 1 .]" 1
411 1 156 VAL MG1 1 161 PHE H 5.000 . 6.500 2.974 2.840 3.234 . 0 0 "[ . 1 .]" 1
412 1 148 VAL QG 1 156 VAL HA 5.000 . 7.400 4.352 3.415 5.175 . 0 0 "[ . 1 .]" 1
413 1 156 VAL MG2 1 161 PHE HA 3.300 . 4.800 4.803 4.562 4.894 0.094 15 0 "[ . 1 .]" 1
414 1 156 VAL MG1 1 161 PHE HA 2.900 . 4.400 2.642 2.348 3.058 . 0 0 "[ . 1 .]" 1
415 1 156 VAL MG1 1 161 PHE QD 2.900 . 6.400 3.025 2.788 3.363 . 0 0 "[ . 1 .]" 1
416 1 145 ILE QG 1 156 VAL MG2 2.900 . 5.400 3.596 2.956 4.827 . 0 0 "[ . 1 .]" 1
417 1 148 VAL MG1 1 164 MET H 3.500 . 5.000 4.845 4.298 5.037 0.037 14 0 "[ . 1 .]" 1
418 1 145 ILE QG 1 154 GLY H 5.000 . 6.500 5.214 4.591 6.209 . 0 0 "[ . 1 .]" 1
419 1 150 LEU H 1 160 GLU QB 5.000 . 6.000 5.158 4.478 6.031 0.031 2 0 "[ . 1 .]" 1
420 1 150 LEU MD2 1 160 GLU QG 5.000 . 7.500 7.374 6.625 7.664 0.164 5 0 "[ . 1 .]" 1
421 1 156 VAL MG1 1 161 PHE QB 2.900 . 5.400 2.621 2.362 2.891 . 0 0 "[ . 1 .]" 1
422 1 149 ASP QB 1 156 VAL MG2 3.300 . 5.800 2.948 2.043 4.580 . 0 0 "[ . 1 .]" 1
423 1 149 ASP HA 1 156 VAL MG2 3.300 . 4.800 3.042 2.225 4.305 . 0 0 "[ . 1 .]" 1
424 1 148 VAL MG1 1 164 MET QG 2.900 . 5.400 2.847 2.284 4.029 . 0 0 "[ . 1 .]" 1
425 1 148 VAL MG1 1 164 MET ME 2.900 . 5.900 3.526 2.821 4.405 . 0 0 "[ . 1 .]" 1
426 1 148 VAL QG 1 160 GLU QB 3.300 . 5.800 4.145 2.988 4.859 . 0 0 "[ . 1 .]" 1
427 1 147 ASP H 1 150 LEU HG 3.500 . 5.000 5.058 4.979 5.223 0.223 12 0 "[ . 1 .]" 1
428 1 121 THR HA 1 145 ILE HB 3.300 . 3.300 3.354 3.200 3.444 0.144 10 0 "[ . 1 .]" 1
429 1 121 THR HA 1 145 ILE QG 5.000 . 6.500 3.922 2.874 4.308 . 0 0 "[ . 1 .]" 1
430 1 121 THR HA 1 145 ILE MD 2.900 . 4.400 2.385 2.263 2.821 . 0 0 "[ . 1 .]" 1
431 1 121 THR HB 1 145 ILE MD 2.900 . 4.400 3.657 2.731 4.413 0.013 7 0 "[ . 1 .]" 1
432 1 121 THR HG1 1 145 ILE MG 2.900 . 5.900 2.865 2.225 3.791 . 0 0 "[ . 1 .]" 1
433 1 125 ARG HA 1 141 ILE MG 3.300 . 4.800 3.047 2.323 3.798 . 0 0 "[ . 1 .]" 1
434 1 125 ARG HA 1 141 ILE MD 2.900 . 4.400 3.055 2.206 4.299 . 0 0 "[ . 1 .]" 1
435 1 125 ARG QD 1 141 ILE MD 2.900 . 5.400 3.365 2.128 4.654 . 0 0 "[ . 1 .]" 1
436 1 125 ARG QD 1 141 ILE MG 3.300 . 6.300 4.462 3.357 5.918 . 0 0 "[ . 1 .]" 1
437 1 128 MET QG 1 141 ILE MG 3.300 . 5.800 4.306 2.528 5.265 . 0 0 "[ . 1 .]" 1
438 1 128 MET QG 1 141 ILE MD 2.900 . 5.400 4.040 2.726 5.196 . 0 0 "[ . 1 .]" 1
439 1 128 MET HA 1 144 ILE MD 3.300 . 4.800 4.604 3.789 4.823 0.023 11 0 "[ . 1 .]" 1
440 1 125 ARG H 1 141 ILE MG 2.900 . 4.400 3.448 2.840 4.032 . 0 0 "[ . 1 .]" 1
441 1 128 MET H 1 141 ILE MG 3.500 . 5.000 5.008 4.825 5.085 0.085 15 0 "[ . 1 .]" 1
442 1 125 ARG QG 1 141 ILE MD 2.900 . 5.400 2.586 2.059 3.813 . 0 0 "[ . 1 .]" 1
443 1 125 ARG QB 1 141 ILE MD 2.900 . 5.400 3.201 2.188 5.034 . 0 0 "[ . 1 .]" 1
444 1 124 LEU QB 1 141 ILE MG 2.900 . 5.400 2.558 1.979 3.976 . 0 0 "[ . 1 .]" 1
445 1 121 THR HA 1 145 ILE MG 3.300 . 4.800 4.101 3.803 4.456 . 0 0 "[ . 1 .]" 1
446 1 121 THR HA 1 141 ILE MG 3.300 . 4.800 4.154 3.687 4.815 0.015 9 0 "[ . 1 .]" 1
447 1 124 LEU MD1 1 145 ILE MD 2.900 . 5.900 2.603 1.920 3.398 . 0 0 "[ . 1 .]" 1
448 1 121 THR HG1 1 154 GLY QA 3.000 . 5.500 4.241 4.035 4.345 . 0 0 "[ . 1 .]" 1
449 1 121 THR HG1 1 155 ARG HA 5.000 . 6.500 5.008 4.508 6.242 . 0 0 "[ . 1 .]" 1
450 1 121 THR MG 1 154 GLY H 5.000 . 6.500 6.519 6.350 6.593 0.093 6 0 "[ . 1 .]" 1
451 1 108 PHE QD 1 161 PHE QE 3.300 . 7.300 3.806 3.537 4.102 . 0 0 "[ . 1 .]" 1
452 1 108 PHE QD 1 161 PHE QD 2.900 . 6.900 2.836 2.542 3.102 . 0 0 "[ . 1 .]" 1
453 1 158 PHE HZ 1 162 VAL MG2 3.300 . 4.800 3.334 2.780 4.044 . 0 0 "[ . 1 .]" 1
454 1 158 PHE QE 1 161 PHE QD 2.900 . 6.900 4.202 3.151 5.526 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 47
_Distance_constraint_stats_list.Viol_count 409
_Distance_constraint_stats_list.Viol_total 3038.776
_Distance_constraint_stats_list.Viol_max 3.675
_Distance_constraint_stats_list.Viol_rms 0.4504
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2874
_Distance_constraint_stats_list.Viol_average_violations_only 0.4953
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 103 GLU 14.522 1.427 2 11 "[ +* * ***-** **]"
1 104 LEU 1.177 0.586 2 1 "[ + . 1 .]"
1 105 ARG 0.280 0.175 11 0 "[ . 1 .]"
1 106 ASP 1.194 0.217 12 0 "[ . 1 .]"
1 107 ALA 20.517 1.427 2 11 "[ +* * ***-** **]"
1 108 PHE 1.663 0.586 2 1 "[ + . 1 .]"
1 109 ARG 0.280 0.175 11 0 "[ . 1 .]"
1 110 GLU 1.194 0.217 12 0 "[ . 1 .]"
1 111 PHE 5.995 0.544 3 1 "[ + . 1 .]"
1 112 ASP 0.486 0.441 14 0 "[ . 1 .]"
1 119 ILE 14.883 1.198 12 3 "[ -. 1*+ .]"
1 121 THR 22.655 1.508 4 12 "[ **+* ** ***-**]"
1 122 SER 22.823 1.106 5 12 "[ ***+****1** *-]"
1 123 GLU 10.404 0.893 3 5 "[ *+ . * 1- *.]"
1 124 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 125 ARG 29.885 1.508 4 13 "[ **+*-** ******]"
1 126 GLU 34.740 1.268 6 13 "[****-+***1** **]"
1 127 ALA 10.404 0.893 3 5 "[ *+ . * 1- *.]"
1 128 MET 0.000 0.000 . 0 "[ . 1 .]"
1 129 ARG 7.230 0.773 6 2 "[ .+ 1 * .]"
1 130 LYS 11.916 1.268 6 6 "[* * -+ * 1 * .]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 140 ASP 24.744 3.675 14 11 "[* **-* ** **+*]"
1 141 ILE 11.764 1.258 3 6 "[ *+ . * *1*- .]"
1 142 GLU 28.048 1.601 3 15 [**+*-**********]
1 143 GLU 9.321 0.866 11 3 "[ - . *1+ .]"
1 144 ILE 26.779 3.675 14 11 "[* **-* ** **+*]"
1 145 ILE 11.764 1.258 3 6 "[ *+ . * *1*- .]"
1 146 ARG 28.048 1.601 3 15 [**+*-**********]
1 147 ASP 9.321 0.866 11 3 "[ - . *1+ .]"
1 148 VAL 2.035 0.407 6 0 "[ . 1 .]"
1 156 VAL 14.883 1.198 12 3 "[ -. 1*+ .]"
1 158 PHE 1.550 0.338 4 0 "[ . 1 .]"
1 159 GLU 0.581 0.240 11 0 "[ . 1 .]"
1 160 GLU 2.404 0.524 12 1 "[ . 1 + .]"
1 161 PHE 8.570 1.371 5 4 "[ *+ -1 * .]"
1 162 VAL 1.550 0.338 4 0 "[ . 1 .]"
1 163 ARG 0.581 0.240 11 0 "[ . 1 .]"
1 164 MET 2.404 0.524 12 1 "[ . 1 + .]"
1 165 MET 8.570 1.371 5 4 "[ *+ -1 * .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 103 GLU O 1 107 ALA N 0.000 . 3.300 3.717 3.248 4.602 1.302 2 5 "[ + * - * *]" 2
2 1 103 GLU O 1 107 ALA H 0.000 . 2.300 2.847 2.330 3.727 1.427 2 11 "[ +* * -***** **]" 2
3 1 104 LEU O 1 108 PHE N 0.000 . 3.300 3.098 2.895 3.809 0.509 2 1 "[ + . 1 .]" 2
4 1 104 LEU O 1 108 PHE H 0.000 . 2.300 2.180 1.991 2.886 0.586 2 1 "[ + . 1 .]" 2
5 1 105 ARG O 1 109 ARG N 0.000 . 3.300 3.098 2.807 3.406 0.106 11 0 "[ . 1 .]" 2
6 1 105 ARG O 1 109 ARG H 0.000 . 2.300 2.158 1.841 2.475 0.175 11 0 "[ . 1 .]" 2
7 1 106 ASP O 1 110 GLU N 0.000 . 3.300 3.163 2.834 3.420 0.120 3 0 "[ . 1 .]" 2
8 1 106 ASP O 1 110 GLU H 0.000 . 2.300 2.262 1.938 2.517 0.217 12 0 "[ . 1 .]" 2
9 1 107 ALA O 1 111 PHE N 0.000 . 3.300 3.416 3.035 3.774 0.474 3 0 "[ . 1 .]" 2
10 1 107 ALA O 1 111 PHE H 0.000 . 2.300 2.542 2.323 2.844 0.544 3 1 "[ + . 1 .]" 2
11 1 108 PHE O 1 112 ASP N 0.000 . 3.300 3.088 2.759 3.304 0.004 6 0 "[ . 1 .]" 2
12 1 108 PHE O 1 112 ASP H 0.000 . 2.300 2.169 1.830 2.741 0.441 14 0 "[ . 1 .]" 2
13 1 121 THR O 1 125 ARG N 0.000 . 3.300 3.917 2.880 4.566 1.266 7 11 "[ **** +* ***- *]" 2
14 1 121 THR O 1 125 ARG H 0.000 . 2.300 3.136 1.964 3.808 1.508 4 12 "[ **+* ** ****-*]" 2
15 1 122 SER O 1 126 GLU N 0.000 . 3.300 3.999 3.458 4.265 0.965 5 12 "[ ***+****1** *-]" 2
16 1 122 SER O 1 126 GLU H 0.000 . 2.300 3.122 2.608 3.406 1.106 5 12 "[ ***+****1** *-]" 2
17 1 123 GLU O 1 127 ALA N 0.000 . 3.300 3.586 3.122 4.140 0.840 3 3 "[ + . - 1 *.]" 2
18 1 123 GLU O 1 127 ALA H 0.000 . 2.300 2.686 2.225 3.193 0.893 3 5 "[ *+ . * 1- *.]" 2
19 1 124 LEU O 1 128 MET N 0.000 . 3.300 2.770 2.684 2.975 . 0 0 "[ . 1 .]" 2
20 1 124 LEU O 1 128 MET H 0.000 . 2.300 1.868 1.719 2.141 . 0 0 "[ . 1 .]" 2
21 1 125 ARG O 1 129 ARG N 0.000 . 3.300 3.402 2.750 3.811 0.511 6 1 "[ .+ 1 .]" 2
22 1 125 ARG O 1 129 ARG H 0.000 . 2.300 2.522 1.835 3.073 0.773 6 2 "[ .+ 1 - .]" 2
23 1 126 GLU O 1 130 LYS N 0.000 . 3.300 3.601 2.985 4.453 1.153 6 5 "[* * -+ 1 * .]" 2
24 1 126 GLU O 1 130 LYS H 0.000 . 2.300 2.695 2.053 3.568 1.268 6 6 "[* * *+ - 1 * .]" 2
25 1 127 ALA O 1 131 LEU N 0.000 . 3.300 2.769 2.646 2.994 . 0 0 "[ . 1 .]" 2
26 1 127 ALA O 1 131 LEU H 0.000 . 2.300 1.852 1.699 2.130 . 0 0 "[ . 1 .]" 2
27 1 140 ASP O 1 144 ILE N 0.000 . 3.300 4.905 2.935 6.975 3.675 14 11 "[* **-* ** **+*]" 2
28 1 141 ILE O 1 145 ILE N 0.000 . 3.300 3.619 2.927 4.401 1.101 9 5 "[ -* . * +1* .]" 2
29 1 141 ILE O 1 145 ILE H 0.000 . 2.300 2.690 1.949 3.558 1.258 3 6 "[ *+ . * *1*- .]" 2
30 1 142 GLU O 1 146 ARG N 0.000 . 3.300 4.147 3.629 4.697 1.397 3 13 "[**+*- ********.]" 2
31 1 142 GLU O 1 146 ARG H 0.000 . 2.300 3.323 2.899 3.901 1.601 3 15 [**+***********-] 2
32 1 143 GLU O 1 147 ASP N 0.000 . 3.300 3.546 3.226 4.018 0.718 11 3 "[ - . *1+ .]" 2
33 1 143 GLU O 1 147 ASP H 0.000 . 2.300 2.666 2.280 3.166 0.866 11 3 "[ - . *1+ .]" 2
34 1 144 ILE O 1 148 VAL N 0.000 . 3.300 3.218 2.843 3.654 0.354 6 0 "[ . 1 .]" 2
35 1 144 ILE O 1 148 VAL H 0.000 . 2.300 2.288 1.874 2.707 0.407 6 0 "[ . 1 .]" 2
36 1 158 PHE O 1 162 VAL N 0.000 . 3.300 3.227 2.976 3.552 0.252 4 0 "[ . 1 .]" 2
37 1 158 PHE O 1 162 VAL H 0.000 . 2.300 2.301 2.034 2.638 0.338 4 0 "[ . 1 .]" 2
38 1 159 GLU O 1 163 ARG N 0.000 . 3.300 3.113 2.931 3.482 0.182 11 0 "[ . 1 .]" 2
39 1 159 GLU O 1 163 ARG H 0.000 . 2.300 2.158 1.973 2.540 0.240 11 0 "[ . 1 .]" 2
40 1 160 GLU O 1 164 MET N 0.000 . 3.300 3.118 2.861 3.552 0.252 12 0 "[ . 1 .]" 2
41 1 160 GLU O 1 164 MET H 0.000 . 2.300 2.247 1.916 2.824 0.524 12 1 "[ . 1 + .]" 2
42 1 161 PHE O 1 165 MET N 0.000 . 3.300 3.464 2.949 4.421 1.121 5 3 "[ *+ 1 - .]" 2
43 1 161 PHE O 1 165 MET H 0.000 . 2.300 2.572 2.085 3.671 1.371 5 4 "[ *+ -1 * .]" 2
44 1 119 ILE O 1 156 VAL N 0.000 . 3.300 3.527 3.315 4.089 0.789 12 2 "[ -. 1 + .]" 2
45 1 119 ILE O 1 156 VAL H 0.000 . 2.300 2.732 2.450 3.498 1.198 12 3 "[ -. 1*+ .]" 2
46 1 119 ILE N 1 156 VAL O 0.000 . 3.300 3.412 3.294 3.556 0.256 4 0 "[ . 1 .]" 2
47 1 119 ILE H 1 156 VAL O 0.000 . 2.300 2.521 2.349 2.662 0.362 11 0 "[ . 1 .]" 2
stop_
save_