NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386335 |
1loi   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1loi
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 324
_Distance_constraint_stats_list.Viol_count 173
_Distance_constraint_stats_list.Viol_total 109.470
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0402
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0904
_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 1 MET 2.126 0.574 5 1 "[ + ]"
1 2 PRO 0.293 0.103 5 0 "[ . ]"
1 3 LEU 0.511 0.103 5 0 "[ . ]"
1 4 VAL 2.141 0.574 5 1 "[ + ]"
1 5 ASP 0.231 0.067 4 0 "[ . ]"
1 6 PHE 0.050 0.025 4 0 "[ . ]"
1 7 PHE 0.058 0.038 1 0 "[ . ]"
1 8 CYS 0.823 0.242 5 0 "[ . ]"
1 9 GLU 0.116 0.031 6 0 "[ . ]"
1 10 THR 1.640 0.967 4 1 "[ +. ]"
1 11 CYS 2.432 0.967 4 1 "[ +. ]"
1 12 SER 0.766 0.177 2 0 "[ . ]"
1 13 LYS 1.226 0.591 1 1 "[+ . ]"
1 14 PRO 0.760 0.591 1 1 "[+ . ]"
1 15 TRP 1.276 0.117 1 0 "[ . ]"
1 16 LEU 0.490 0.151 1 0 "[ . ]"
1 17 VAL 2.493 0.151 1 0 "[ . ]"
1 18 GLY 1.318 0.124 4 0 "[ . ]"
1 19 TRP 1.893 0.295 5 0 "[ . ]"
1 20 TRP 4.523 0.295 5 0 "[ . ]"
1 21 ASP 1.223 0.109 7 0 "[ . ]"
1 22 GLN 0.109 0.065 3 0 "[ . ]"
1 23 PHE 0.096 0.046 6 0 "[ . ]"
1 24 LYS 1.074 0.163 3 0 "[ . ]"
1 25 ARG 0.931 0.163 3 0 "[ . ]"
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 1 MET HA 1 1 MET QG 1.800 . 3.900 2.253 1.955 2.760 . 0 0 "[ . ]" 1
2 1 1 MET HA 1 2 PRO HB2 3.500 3.500 6.000 5.527 5.451 5.572 . 0 0 "[ . ]" 1
3 1 1 MET HA 1 2 PRO HB3 3.500 3.500 6.000 4.864 4.825 5.064 . 0 0 "[ . ]" 1
4 1 1 MET HA 1 2 PRO HD2 1.800 . 3.300 2.519 2.132 2.681 . 0 0 "[ . ]" 1
5 1 1 MET HA 1 2 PRO HD3 1.800 . 3.300 1.991 1.952 2.134 . 0 0 "[ . ]" 1
6 1 1 MET HA 1 2 PRO QG 1.800 . 4.300 3.895 3.839 3.947 . 0 0 "[ . ]" 1
7 1 1 MET QB 1 2 PRO HD2 1.800 . 4.300 2.377 1.890 3.701 . 0 0 "[ . ]" 1
8 1 1 MET QB 1 2 PRO HD3 1.800 . 4.300 3.327 2.782 4.014 . 0 0 "[ . ]" 1
9 1 1 MET QB 1 4 VAL H 3.000 3.000 5.000 2.783 2.426 3.551 0.574 5 1 "[ + ]" 1
10 1 2 PRO HA 1 2 PRO QD 3.000 3.000 5.000 3.499 3.491 3.519 . 0 0 "[ . ]" 1
11 1 2 PRO HA 1 2 PRO QG 1.800 . 3.900 3.563 3.561 3.564 . 0 0 "[ . ]" 1
12 1 2 PRO HA 1 3 LEU H 1.800 . 4.000 3.537 3.497 3.563 . 0 0 "[ . ]" 1
13 1 2 PRO HA 1 3 LEU QB 3.500 3.500 6.000 5.332 5.297 5.369 . 0 0 "[ . ]" 1
14 1 2 PRO HA 1 4 VAL H 3.500 3.500 5.000 4.432 3.912 5.005 0.005 3 0 "[ . ]" 1
15 1 2 PRO HB2 1 3 LEU H 1.800 . 3.300 2.759 1.897 3.268 . 0 0 "[ . ]" 1
16 1 2 PRO HB2 1 5 ASP H 4.000 4.000 6.000 5.173 5.000 5.411 . 0 0 "[ . ]" 1
17 1 2 PRO HB3 1 3 LEU H 3.000 3.000 4.000 3.838 3.383 4.103 0.103 5 0 "[ . ]" 1
18 1 2 PRO HB3 1 5 ASP H 4.000 4.000 6.000 5.718 5.438 5.982 . 0 0 "[ . ]" 1
19 1 2 PRO QD 1 3 LEU H 1.800 . 4.300 2.526 2.228 3.210 . 0 0 "[ . ]" 1
20 1 2 PRO QG 1 3 LEU H 1.800 . 4.300 2.269 1.922 2.568 . 0 0 "[ . ]" 1
21 1 3 LEU H 1 3 LEU QB 1.800 . 4.300 2.180 2.127 2.266 . 0 0 "[ . ]" 1
22 1 3 LEU H 1 3 LEU MD1 1.800 . 5.000 2.835 1.923 3.464 . 0 0 "[ . ]" 1
23 1 3 LEU H 1 3 LEU MD2 1.800 . 5.000 4.221 4.100 4.253 . 0 0 "[ . ]" 1
24 1 3 LEU H 1 3 LEU HG 1.800 . 3.300 3.158 3.065 3.302 0.002 5 0 "[ . ]" 1
25 1 3 LEU H 1 4 VAL H 1.800 . 3.300 2.584 2.355 2.674 . 0 0 "[ . ]" 1
26 1 3 LEU H 1 4 VAL QG 1.800 . 5.700 3.561 3.364 3.634 . 0 0 "[ . ]" 1
27 1 3 LEU H 1 5 ASP H 3.000 3.000 4.000 4.029 3.983 4.067 0.067 4 0 "[ . ]" 1
28 1 3 LEU HA 1 3 LEU MD1 1.800 . 4.300 3.529 3.178 3.668 . 0 0 "[ . ]" 1
29 1 3 LEU HA 1 3 LEU MD2 1.800 . 4.300 2.844 2.381 3.398 . 0 0 "[ . ]" 1
30 1 3 LEU HA 1 3 LEU HG 1.800 . 3.300 2.158 2.045 2.232 . 0 0 "[ . ]" 1
31 1 3 LEU HA 1 4 VAL H 1.800 . 4.000 3.524 3.458 3.573 . 0 0 "[ . ]" 1
32 1 3 LEU HA 1 6 PHE H 3.000 3.000 4.000 3.424 3.328 3.572 . 0 0 "[ . ]" 1
33 1 3 LEU HA 1 6 PHE QB 1.800 . 4.300 3.285 3.142 3.509 . 0 0 "[ . ]" 1
34 1 3 LEU QB 1 4 VAL H 1.800 . 4.300 2.769 2.586 3.009 . 0 0 "[ . ]" 1
35 1 3 LEU QB 1 6 PHE H 3.500 3.500 6.000 4.789 4.626 4.919 . 0 0 "[ . ]" 1
36 1 3 LEU QB 1 6 PHE QD 3.500 3.500 8.000 6.090 5.680 6.309 . 0 0 "[ . ]" 1
37 1 3 LEU HG 1 6 PHE QD 3.500 3.500 7.000 5.927 5.195 6.439 . 0 0 "[ . ]" 1
38 1 4 VAL H 1 4 VAL HB 1.800 . 3.300 2.778 2.687 2.875 . 0 0 "[ . ]" 1
39 1 4 VAL H 1 4 VAL QG 1.800 . 5.000 1.864 1.807 1.919 . 0 0 "[ . ]" 1
40 1 4 VAL H 1 5 ASP H 1.800 . 3.300 2.622 2.356 2.781 . 0 0 "[ . ]" 1
41 1 4 VAL H 1 5 ASP QB 3.500 3.500 6.000 4.401 4.156 4.581 . 0 0 "[ . ]" 1
42 1 4 VAL H 1 6 PHE H 3.500 3.500 5.000 4.436 4.098 4.608 . 0 0 "[ . ]" 1
43 1 4 VAL HA 1 4 VAL QG 1.800 . 3.900 2.035 1.976 2.107 . 0 0 "[ . ]" 1
44 1 4 VAL HA 1 5 ASP H 3.000 3.000 4.000 3.480 3.441 3.525 . 0 0 "[ . ]" 1
45 1 4 VAL HA 1 7 PHE H 3.000 3.000 4.000 3.184 3.007 3.296 . 0 0 "[ . ]" 1
46 1 4 VAL HA 1 7 PHE HB2 1.800 . 3.300 2.326 1.872 2.979 . 0 0 "[ . ]" 1
47 1 4 VAL HA 1 7 PHE HB3 1.800 . 3.300 3.113 2.696 3.310 0.010 5 0 "[ . ]" 1
48 1 4 VAL HA 1 7 PHE QD 1.800 . 5.300 3.622 2.616 4.715 . 0 0 "[ . ]" 1
49 1 4 VAL HA 1 8 CYS H 3.500 3.500 5.000 4.448 4.018 4.807 . 0 0 "[ . ]" 1
50 1 4 VAL HB 1 5 ASP H 1.800 . 3.300 2.970 2.744 3.146 . 0 0 "[ . ]" 1
51 1 4 VAL HB 1 6 PHE H 4.000 4.000 6.000 5.295 5.115 5.425 . 0 0 "[ . ]" 1
52 1 4 VAL QG 1 5 ASP H 1.800 . 5.700 3.395 3.268 3.491 . 0 0 "[ . ]" 1
53 1 4 VAL QG 1 5 ASP HA 1.800 . 5.700 4.056 4.004 4.110 . 0 0 "[ . ]" 1
54 1 4 VAL QG 1 6 PHE H 3.000 3.000 6.400 4.717 4.498 4.829 . 0 0 "[ . ]" 1
55 1 5 ASP H 1 5 ASP QB 1.800 . 3.900 2.220 2.063 2.427 . 0 0 "[ . ]" 1
56 1 5 ASP H 1 6 PHE H 1.800 . 3.300 2.675 2.504 2.885 . 0 0 "[ . ]" 1
57 1 5 ASP H 1 6 PHE QB 3.500 3.500 6.000 4.426 4.285 4.610 . 0 0 "[ . ]" 1
58 1 5 ASP H 1 7 PHE H 3.500 3.500 5.000 3.872 3.602 4.064 . 0 0 "[ . ]" 1
59 1 5 ASP HA 1 6 PHE H 3.000 3.000 4.000 3.555 3.509 3.581 . 0 0 "[ . ]" 1
60 1 5 ASP HA 1 6 PHE QB 3.500 3.500 6.000 5.261 5.206 5.317 . 0 0 "[ . ]" 1
61 1 5 ASP HA 1 7 PHE H 3.500 3.500 5.000 4.212 3.904 4.517 . 0 0 "[ . ]" 1
62 1 5 ASP HA 1 8 CYS H 3.500 3.500 5.000 3.942 3.489 4.280 0.011 2 0 "[ . ]" 1
63 1 5 ASP HA 1 9 GLU H 3.500 3.500 5.000 4.579 4.356 4.837 . 0 0 "[ . ]" 1
64 1 5 ASP QB 1 6 PHE H 1.800 . 4.300 2.575 2.413 2.764 . 0 0 "[ . ]" 1
65 1 5 ASP QB 1 7 PHE H 3.500 3.500 6.000 4.501 4.249 4.727 . 0 0 "[ . ]" 1
66 1 6 PHE H 1 6 PHE QB 1.800 . 3.900 2.121 2.071 2.223 . 0 0 "[ . ]" 1
67 1 6 PHE H 1 6 PHE QD 1.800 . 5.300 3.500 2.587 3.977 . 0 0 "[ . ]" 1
68 1 6 PHE H 1 7 PHE H 1.800 . 3.300 2.496 2.400 2.584 . 0 0 "[ . ]" 1
69 1 6 PHE H 1 8 CYS H 3.500 3.500 5.000 4.493 3.990 4.799 . 0 0 "[ . ]" 1
70 1 6 PHE HA 1 6 PHE QD 1.800 . 4.300 2.608 2.084 2.965 . 0 0 "[ . ]" 1
71 1 6 PHE HA 1 7 PHE H 3.000 3.000 4.000 3.490 3.439 3.549 . 0 0 "[ . ]" 1
72 1 6 PHE HA 1 9 GLU H 1.800 . 3.300 3.139 2.669 3.314 0.014 5 0 "[ . ]" 1
73 1 6 PHE HA 1 9 GLU QB 1.800 . 4.300 2.235 1.775 3.536 0.025 4 0 "[ . ]" 1
74 1 6 PHE HA 1 9 GLU QG 1.800 . 4.300 3.106 1.843 3.778 . 0 0 "[ . ]" 1
75 1 6 PHE QB 1 7 PHE H 1.800 . 4.300 2.914 2.701 3.082 . 0 0 "[ . ]" 1
76 1 6 PHE QD 1 10 THR MG 1.800 . 6.300 3.235 2.046 4.347 . 0 0 "[ . ]" 1
77 1 7 PHE H 1 7 PHE HB2 1.800 . 3.300 2.251 2.088 2.474 . 0 0 "[ . ]" 1
78 1 7 PHE H 1 7 PHE HB3 1.800 . 3.300 2.967 2.699 3.293 . 0 0 "[ . ]" 1
79 1 7 PHE H 1 7 PHE QD 1.800 . 5.300 3.989 3.537 4.201 . 0 0 "[ . ]" 1
80 1 7 PHE H 1 7 PHE QE 4.000 4.000 7.000 6.022 5.585 6.238 . 0 0 "[ . ]" 1
81 1 7 PHE H 1 8 CYS H 1.800 . 3.300 2.830 2.423 3.046 . 0 0 "[ . ]" 1
82 1 7 PHE HA 1 7 PHE QD 1.800 . 4.300 2.536 1.835 2.953 . 0 0 "[ . ]" 1
83 1 7 PHE HA 1 7 PHE QE 3.000 3.000 5.000 4.297 4.092 4.500 . 0 0 "[ . ]" 1
84 1 7 PHE HA 1 8 CYS H 3.000 3.000 4.000 3.554 3.444 3.596 . 0 0 "[ . ]" 1
85 1 7 PHE HB2 1 7 PHE QE 1.800 . 4.700 4.448 4.417 4.518 . 0 0 "[ . ]" 1
86 1 7 PHE HB2 1 8 CYS H 3.000 3.000 4.000 3.484 2.962 4.009 0.038 1 0 "[ . ]" 1
87 1 7 PHE HB3 1 7 PHE QE 1.800 . 4.700 4.484 4.423 4.531 . 0 0 "[ . ]" 1
88 1 7 PHE HB3 1 8 CYS H 1.800 . 3.300 2.529 2.117 3.115 . 0 0 "[ . ]" 1
89 1 7 PHE QE 1 8 CYS H 4.000 4.000 7.000 6.123 5.737 6.495 . 0 0 "[ . ]" 1
90 1 8 CYS H 1 8 CYS HB2 1.800 . 3.300 2.514 2.138 3.542 0.242 5 0 "[ . ]" 1
91 1 8 CYS H 1 8 CYS HB3 1.800 . 3.300 3.022 2.672 3.250 . 0 0 "[ . ]" 1
92 1 8 CYS H 1 9 GLU H 1.800 . 3.300 2.392 1.811 2.644 . 0 0 "[ . ]" 1
93 1 8 CYS H 1 10 THR H 3.500 3.500 5.000 4.356 3.797 4.831 . 0 0 "[ . ]" 1
94 1 8 CYS HA 1 9 GLU H 1.800 . 4.000 3.441 3.285 3.549 . 0 0 "[ . ]" 1
95 1 8 CYS HA 1 11 CYS H 3.000 3.000 4.000 3.882 3.206 4.082 0.082 1 0 "[ . ]" 1
96 1 8 CYS HA 1 11 CYS HB2 3.000 3.000 5.000 4.143 2.943 4.980 0.057 1 0 "[ . ]" 1
97 1 8 CYS HA 1 11 CYS HB3 3.000 3.000 5.000 4.666 3.947 5.217 0.217 4 0 "[ . ]" 1
98 1 8 CYS HB2 1 9 GLU H 3.000 3.000 4.000 3.770 3.467 4.024 0.024 3 0 "[ . ]" 1
99 1 8 CYS HB3 1 9 GLU H 3.000 3.000 4.000 3.443 3.098 4.007 0.007 5 0 "[ . ]" 1
100 1 9 GLU H 1 9 GLU QG 1.800 . 4.300 3.470 1.857 4.007 . 0 0 "[ . ]" 1
101 1 9 GLU H 1 10 THR H 1.800 . 3.300 2.700 2.317 3.154 . 0 0 "[ . ]" 1
102 1 9 GLU H 1 10 THR MG 3.500 3.500 6.000 4.184 3.469 4.938 0.031 6 0 "[ . ]" 1
103 1 9 GLU HA 1 9 GLU QG 1.800 . 3.900 2.499 1.960 3.228 . 0 0 "[ . ]" 1
104 1 9 GLU HA 1 10 THR H 1.800 . 4.000 3.497 3.220 3.588 . 0 0 "[ . ]" 1
105 1 9 GLU QB 1 10 THR H 1.800 . 4.300 2.728 2.132 3.885 . 0 0 "[ . ]" 1
106 1 9 GLU QG 1 10 THR H 1.800 . 4.300 3.607 3.268 3.937 . 0 0 "[ . ]" 1
107 1 9 GLU QG 1 10 THR HA 3.500 3.500 6.000 4.375 3.581 5.406 . 0 0 "[ . ]" 1
108 1 10 THR H 1 10 THR HB 1.800 . 3.300 3.267 2.911 3.398 0.098 4 0 "[ . ]" 1
109 1 10 THR H 1 10 THR MG 1.800 . 4.300 2.246 1.786 3.400 0.014 4 0 "[ . ]" 1
110 1 10 THR HA 1 10 THR MG 1.800 . 3.900 2.988 1.922 3.196 . 0 0 "[ . ]" 1
111 1 10 THR HA 1 11 CYS H 1.800 . 3.300 2.772 2.342 3.520 0.220 4 0 "[ . ]" 1
112 1 10 THR HA 1 11 CYS HB2 4.000 4.000 6.000 5.222 4.635 5.946 . 0 0 "[ . ]" 1
113 1 10 THR HA 1 11 CYS HB3 4.000 4.000 6.000 5.983 5.845 6.088 0.088 2 0 "[ . ]" 1
114 1 10 THR MG 1 11 CYS H 3.000 3.000 5.000 3.657 2.033 4.327 0.967 4 1 "[ +. ]" 1
115 1 11 CYS H 1 11 CYS HB2 2.000 . 4.000 2.804 2.303 3.321 . 0 0 "[ . ]" 1
116 1 11 CYS H 1 11 CYS HB3 2.000 . 4.000 3.730 3.570 4.009 0.009 4 0 "[ . ]" 1
117 1 11 CYS H 1 12 SER H 1.800 . 5.000 4.139 3.380 4.627 . 0 0 "[ . ]" 1
118 1 11 CYS HA 1 12 SER H 1.800 . 3.300 2.860 2.283 3.441 0.141 1 0 "[ . ]" 1
119 1 11 CYS HB2 1 12 SER H 1.800 . 3.300 2.803 2.245 3.319 0.019 4 0 "[ . ]" 1
120 1 11 CYS HB2 1 13 LYS H 3.000 3.000 4.000 3.318 2.964 4.135 0.135 1 0 "[ . ]" 1
121 1 11 CYS HB3 1 12 SER H 1.800 . 3.300 2.319 1.771 3.324 0.029 1 0 "[ . ]" 1
122 1 12 SER H 1 13 LYS H 1.800 . 3.300 2.257 1.820 2.991 . 0 0 "[ . ]" 1
123 1 12 SER HA 1 13 LYS H 1.800 . 3.300 3.213 3.051 3.333 0.033 6 0 "[ . ]" 1
124 1 12 SER HA 1 13 LYS QE 3.000 3.000 5.000 3.731 3.350 4.242 . 0 0 "[ . ]" 1
125 1 12 SER HA 1 14 PRO QD 1.800 . 4.300 3.081 2.512 3.662 . 0 0 "[ . ]" 1
126 1 12 SER QB 1 13 LYS QG 3.500 3.500 7.000 4.465 3.323 5.661 0.177 2 0 "[ . ]" 1
127 1 12 SER HB2 1 13 LYS H 3.000 3.000 5.000 3.884 3.491 4.567 . 0 0 "[ . ]" 1
128 1 12 SER HB2 1 16 LEU QD 4.000 4.000 8.400 5.781 4.913 6.142 . 0 0 "[ . ]" 1
129 1 12 SER HB3 1 13 LYS H 3.000 3.000 5.000 4.273 3.985 4.464 . 0 0 "[ . ]" 1
130 1 12 SER HB3 1 16 LEU QD 4.000 4.000 8.400 5.852 5.197 6.220 . 0 0 "[ . ]" 1
131 1 13 LYS H 1 13 LYS QB 1.800 . 3.900 2.907 2.601 3.228 . 0 0 "[ . ]" 1
132 1 13 LYS H 1 13 LYS QD 1.800 . 4.300 2.722 1.810 3.905 . 0 0 "[ . ]" 1
133 1 13 LYS H 1 13 LYS QE 1.800 . 4.300 1.954 1.799 2.128 0.001 4 0 "[ . ]" 1
134 1 13 LYS H 1 13 LYS QG 1.800 . 4.300 3.332 2.333 3.733 . 0 0 "[ . ]" 1
135 1 13 LYS H 1 14 PRO QD 1.800 . 4.300 2.316 1.832 2.845 . 0 0 "[ . ]" 1
136 1 13 LYS HA 1 13 LYS QG 1.800 . 3.900 3.095 2.246 3.509 . 0 0 "[ . ]" 1
137 1 13 LYS HA 1 14 PRO HD2 1.800 . 3.300 2.299 2.069 2.497 . 0 0 "[ . ]" 1
138 1 13 LYS HA 1 14 PRO QD 1.800 . 4.300 2.212 1.997 2.383 . 0 0 "[ . ]" 1
139 1 13 LYS HA 1 14 PRO HD3 1.800 . 3.300 2.892 2.630 3.197 . 0 0 "[ . ]" 1
140 1 13 LYS HA 1 16 LEU QD 1.800 . 5.700 3.240 2.410 3.913 . 0 0 "[ . ]" 1
141 1 13 LYS QB 1 13 LYS QE 1.800 . 5.300 2.128 1.781 3.196 0.019 7 0 "[ . ]" 1
142 1 13 LYS QB 1 14 PRO QD 1.800 . 5.300 3.687 3.586 3.752 . 0 0 "[ . ]" 1
143 1 13 LYS HB2 1 13 LYS QE 1.800 . 3.900 2.981 1.789 3.661 0.011 7 0 "[ . ]" 1
144 1 13 LYS HB3 1 13 LYS QE 1.800 . 3.900 2.616 1.962 3.524 . 0 0 "[ . ]" 1
145 1 13 LYS QD 1 13 LYS QE 1.800 . 4.500 2.075 2.045 2.108 . 0 0 "[ . ]" 1
146 1 13 LYS QE 1 13 LYS QG 1.800 . 3.900 2.238 1.891 2.386 . 0 0 "[ . ]" 1
147 1 13 LYS QE 1 14 PRO HA 3.500 3.500 6.000 5.008 2.909 5.486 0.591 1 1 "[+ . ]" 1
148 1 13 LYS QE 1 16 LEU QD 1.800 . 6.700 3.873 3.663 4.193 . 0 0 "[ . ]" 1
149 1 13 LYS QG 1 14 PRO QD 1.800 . 5.300 4.123 3.771 4.361 . 0 0 "[ . ]" 1
150 1 13 LYS QG 1 15 TRP HD1 3.500 3.500 6.000 4.932 4.199 5.387 . 0 0 "[ . ]" 1
151 1 13 LYS QG 1 16 LEU HA 3.500 3.500 6.000 5.116 4.774 5.401 . 0 0 "[ . ]" 1
152 1 14 PRO HA 1 14 PRO QD 1.800 . 4.300 3.466 3.437 3.491 . 0 0 "[ . ]" 1
153 1 14 PRO HA 1 14 PRO QG 1.800 . 3.900 3.560 3.556 3.563 . 0 0 "[ . ]" 1
154 1 14 PRO HA 1 15 TRP H 1.800 . 4.000 3.356 3.307 3.449 . 0 0 "[ . ]" 1
155 1 14 PRO HA 1 17 VAL H 3.000 3.000 4.000 3.924 3.493 4.049 0.049 4 0 "[ . ]" 1
156 1 14 PRO HA 1 17 VAL HB 3.000 3.000 4.000 3.617 3.294 3.855 . 0 0 "[ . ]" 1
157 1 14 PRO HA 1 17 VAL QG 1.800 . 5.700 3.413 2.450 3.895 . 0 0 "[ . ]" 1
158 1 14 PRO HB2 1 15 TRP H 3.000 3.000 4.000 3.855 3.604 3.977 . 0 0 "[ . ]" 1
159 1 14 PRO HB2 1 15 TRP HE3 3.000 3.000 4.000 3.818 3.419 4.020 0.020 3 0 "[ . ]" 1
160 1 14 PRO HB3 1 15 TRP H 3.500 3.500 5.000 4.463 4.299 4.552 . 0 0 "[ . ]" 1
161 1 14 PRO HB3 1 15 TRP HE3 4.000 4.000 6.000 5.343 5.052 5.489 . 0 0 "[ . ]" 1
162 1 14 PRO QD 1 15 TRP H 1.800 . 3.300 2.599 2.260 2.796 . 0 0 "[ . ]" 1
163 1 14 PRO QD 1 15 TRP HD1 3.500 3.500 6.000 4.081 3.691 4.394 . 0 0 "[ . ]" 1
164 1 14 PRO QD 1 15 TRP HE3 3.000 3.000 5.000 4.150 3.952 4.359 . 0 0 "[ . ]" 1
165 1 14 PRO QD 1 16 LEU QD 3.000 3.000 7.400 4.407 3.869 4.810 . 0 0 "[ . ]" 1
166 1 14 PRO QG 1 15 TRP HD1 4.000 4.000 7.000 5.336 4.853 5.679 . 0 0 "[ . ]" 1
167 1 14 PRO QG 1 15 TRP HE3 1.800 . 4.300 3.002 2.912 3.062 . 0 0 "[ . ]" 1
168 1 15 TRP H 1 15 TRP HB2 3.000 3.000 4.000 3.349 3.327 3.362 . 0 0 "[ . ]" 1
169 1 15 TRP H 1 15 TRP HB3 3.000 3.000 4.000 3.527 3.502 3.546 . 0 0 "[ . ]" 1
170 1 15 TRP H 1 17 VAL H 3.500 3.500 5.000 3.694 3.601 3.813 . 0 0 "[ . ]" 1
171 1 15 TRP HA 1 15 TRP HD1 3.500 3.500 5.000 4.676 4.665 4.695 . 0 0 "[ . ]" 1
172 1 15 TRP HA 1 15 TRP HE3 1.800 . 3.300 3.361 3.347 3.383 0.083 3 0 "[ . ]" 1
173 1 15 TRP HA 1 16 LEU H 1.800 . 4.000 3.497 3.468 3.524 . 0 0 "[ . ]" 1
174 1 15 TRP HA 1 18 GLY H 4.000 4.000 6.000 4.451 3.999 4.733 0.001 1 0 "[ . ]" 1
175 1 15 TRP HB2 1 15 TRP HD1 1.800 . 4.000 2.618 2.612 2.622 . 0 0 "[ . ]" 1
176 1 15 TRP HB2 1 15 TRP HE1 3.500 3.500 5.000 4.768 4.765 4.771 . 0 0 "[ . ]" 1
177 1 15 TRP HB2 1 15 TRP HE3 3.000 3.000 4.000 4.110 4.102 4.117 0.117 1 0 "[ . ]" 1
178 1 15 TRP HB2 1 16 LEU H 1.800 . 3.300 3.257 3.165 3.324 0.024 1 0 "[ . ]" 1
179 1 15 TRP HB3 1 15 TRP HD1 1.800 . 4.000 3.780 3.776 3.785 . 0 0 "[ . ]" 1
180 1 15 TRP HB3 1 15 TRP HE3 1.800 . 3.300 2.618 2.604 2.629 . 0 0 "[ . ]" 1
181 1 15 TRP HB3 1 16 LEU H 3.500 3.500 5.000 4.270 4.213 4.306 . 0 0 "[ . ]" 1
182 1 15 TRP HD1 1 16 LEU HA 3.500 3.500 5.000 4.505 4.365 4.587 . 0 0 "[ . ]" 1
183 1 15 TRP HD1 1 16 LEU QB 3.000 3.000 5.000 4.474 4.322 4.556 . 0 0 "[ . ]" 1
184 1 15 TRP HD1 1 16 LEU QD 1.800 . 5.700 2.389 1.855 2.868 . 0 0 "[ . ]" 1
185 1 15 TRP HE1 1 16 LEU QB 4.000 4.000 7.000 5.990 5.792 6.072 . 0 0 "[ . ]" 1
186 1 15 TRP HE1 1 16 LEU QD 1.800 . 5.700 3.813 3.349 4.173 . 0 0 "[ . ]" 1
187 1 15 TRP HE3 1 16 LEU QD 4.000 4.000 8.400 5.949 5.467 6.270 . 0 0 "[ . ]" 1
188 1 16 LEU H 1 16 LEU QB 1.800 . 3.900 2.519 2.223 2.627 . 0 0 "[ . ]" 1
189 1 16 LEU H 1 16 LEU QD 1.800 . 5.700 2.570 2.019 2.979 . 0 0 "[ . ]" 1
190 1 16 LEU H 1 17 VAL H 1.800 . 3.300 2.600 2.429 2.667 . 0 0 "[ . ]" 1
191 1 16 LEU H 1 17 VAL QG 3.000 3.000 6.400 3.864 3.742 4.049 . 0 0 "[ . ]" 1
192 1 16 LEU HA 1 16 LEU QD 1.800 . 5.000 2.077 1.935 2.796 . 0 0 "[ . ]" 1
193 1 16 LEU HA 1 17 VAL H 1.800 . 3.300 3.363 3.292 3.451 0.151 1 0 "[ . ]" 1
194 1 16 LEU QB 1 17 VAL H 1.800 . 4.300 3.171 2.830 3.376 . 0 0 "[ . ]" 1
195 1 16 LEU QB 1 19 TRP H 3.500 3.500 6.000 4.473 4.251 4.596 . 0 0 "[ . ]" 1
196 1 16 LEU QB 1 19 TRP QB 3.500 3.500 7.000 5.511 5.345 5.614 . 0 0 "[ . ]" 1
197 1 16 LEU QB 1 19 TRP HD1 4.000 4.000 7.000 5.142 4.807 5.304 . 0 0 "[ . ]" 1
198 1 16 LEU QB 1 20 TRP HE1 1.800 . 4.300 3.844 3.660 3.962 . 0 0 "[ . ]" 1
199 1 16 LEU QD 1 17 VAL H 1.800 . 5.700 4.079 3.850 4.264 . 0 0 "[ . ]" 1
200 1 16 LEU QD 1 17 VAL QG 3.000 3.000 8.800 4.665 4.515 4.766 . 0 0 "[ . ]" 1
201 1 16 LEU QD 1 19 TRP H 3.500 3.500 7.400 4.785 4.697 4.967 . 0 0 "[ . ]" 1
202 1 16 LEU QD 1 19 TRP HB2 4.000 4.000 8.400 6.130 5.905 6.348 . 0 0 "[ . ]" 1
203 1 16 LEU QD 1 19 TRP HB3 4.000 4.000 8.400 6.002 5.782 6.302 . 0 0 "[ . ]" 1
204 1 16 LEU QD 1 19 TRP HD1 3.500 3.500 7.400 4.438 4.142 4.916 . 0 0 "[ . ]" 1
205 1 16 LEU QD 1 19 TRP HE3 3.500 3.500 7.400 5.305 5.199 5.345 . 0 0 "[ . ]" 1
206 1 16 LEU QD 1 19 TRP HZ3 3.000 3.000 6.400 4.618 4.403 4.773 . 0 0 "[ . ]" 1
207 1 16 LEU QD 1 20 TRP HD1 3.500 3.500 7.400 5.446 5.356 5.510 . 0 0 "[ . ]" 1
208 1 17 VAL H 1 17 VAL HB 1.800 . 3.300 2.612 2.568 2.681 . 0 0 "[ . ]" 1
209 1 17 VAL H 1 17 VAL QG 1.800 . 5.000 2.032 1.830 2.226 . 0 0 "[ . ]" 1
210 1 17 VAL H 1 18 GLY H 1.800 . 3.300 2.722 2.677 2.781 . 0 0 "[ . ]" 1
211 1 17 VAL HA 1 17 VAL QG 1.800 . 3.900 2.282 2.244 2.328 . 0 0 "[ . ]" 1
212 1 17 VAL HA 1 18 GLY H 1.800 . 3.300 3.400 3.382 3.424 0.124 4 0 "[ . ]" 1
213 1 17 VAL HA 1 20 TRP H 1.800 . 4.000 3.359 3.313 3.388 . 0 0 "[ . ]" 1
214 1 17 VAL HA 1 20 TRP HB2 1.800 . 3.300 2.044 2.016 2.063 . 0 0 "[ . ]" 1
215 1 17 VAL HA 1 20 TRP HB3 3.500 3.500 5.000 3.411 3.365 3.434 0.135 2 0 "[ . ]" 1
216 1 17 VAL HA 1 20 TRP HD1 3.500 3.500 5.000 4.490 4.416 4.550 . 0 0 "[ . ]" 1
217 1 17 VAL HA 1 20 TRP HE1 3.500 3.500 5.000 5.084 5.041 5.112 0.112 3 0 "[ . ]" 1
218 1 17 VAL HB 1 18 GLY H 3.500 3.500 5.000 4.244 4.186 4.298 . 0 0 "[ . ]" 1
219 1 17 VAL QG 1 18 GLY H 1.800 . 5.700 2.370 2.094 2.562 . 0 0 "[ . ]" 1
220 1 17 VAL QG 1 18 GLY HA2 1.800 . 5.700 3.158 3.102 3.222 . 0 0 "[ . ]" 1
221 1 17 VAL QG 1 18 GLY HA3 1.800 . 5.700 3.701 3.602 3.807 . 0 0 "[ . ]" 1
222 1 17 VAL QG 1 21 ASP H 3.500 3.500 7.400 3.773 3.666 3.856 . 0 0 "[ . ]" 1
223 1 18 GLY H 1 20 TRP HE3 4.000 4.000 6.000 5.705 5.458 5.924 . 0 0 "[ . ]" 1
224 1 18 GLY QA 1 21 ASP HB2 3.500 3.500 6.000 4.632 4.540 4.754 . 0 0 "[ . ]" 1
225 1 18 GLY QA 1 21 ASP HB3 3.000 3.000 5.000 4.337 4.300 4.368 . 0 0 "[ . ]" 1
226 1 18 GLY HA2 1 19 TRP H 1.800 . 4.000 3.627 3.617 3.635 . 0 0 "[ . ]" 1
227 1 18 GLY HA2 1 21 ASP H 3.000 3.000 4.000 4.088 4.066 4.109 0.109 7 0 "[ . ]" 1
228 1 18 GLY HA3 1 19 TRP H 1.800 . 4.000 2.670 2.540 2.746 . 0 0 "[ . ]" 1
229 1 19 TRP H 1 19 TRP HB2 1.800 . 4.000 3.658 3.623 3.676 . 0 0 "[ . ]" 1
230 1 19 TRP H 1 19 TRP HB3 1.800 . 4.000 3.054 3.039 3.071 . 0 0 "[ . ]" 1
231 1 19 TRP H 1 19 TRP HD1 1.800 . 3.300 3.137 2.967 3.217 . 0 0 "[ . ]" 1
232 1 19 TRP H 1 19 TRP HZ2 4.000 4.000 6.000 5.664 5.610 5.709 . 0 0 "[ . ]" 1
233 1 19 TRP H 1 21 ASP H 3.500 3.500 5.000 4.589 4.529 4.622 . 0 0 "[ . ]" 1
234 1 19 TRP HA 1 19 TRP HD1 3.500 3.500 5.000 4.409 4.301 4.458 . 0 0 "[ . ]" 1
235 1 19 TRP HA 1 20 TRP H 1.800 . 3.300 3.171 3.084 3.311 0.011 2 0 "[ . ]" 1
236 1 19 TRP HA 1 21 ASP H 3.000 3.000 4.000 3.749 3.627 3.872 . 0 0 "[ . ]" 1
237 1 19 TRP HA 1 22 GLN H 3.000 3.000 4.000 3.438 3.242 3.618 . 0 0 "[ . ]" 1
238 1 19 TRP HA 1 22 GLN QE 1.800 . 4.300 3.199 2.503 3.706 . 0 0 "[ . ]" 1
239 1 19 TRP HB2 1 19 TRP HD1 1.800 . 4.000 3.653 3.633 3.692 . 0 0 "[ . ]" 1
240 1 19 TRP HB2 1 19 TRP HZ3 4.000 4.000 6.000 5.219 5.161 5.256 . 0 0 "[ . ]" 1
241 1 19 TRP HB3 1 19 TRP HD1 1.800 . 4.000 2.525 2.513 2.544 . 0 0 "[ . ]" 1
242 1 19 TRP HD1 1 20 TRP H 4.000 4.000 6.000 5.578 5.377 5.678 . 0 0 "[ . ]" 1
243 1 19 TRP HD1 1 22 GLN QE 4.000 4.000 7.000 4.862 4.590 5.212 . 0 0 "[ . ]" 1
244 1 19 TRP HZ3 1 20 TRP HA 3.500 3.500 5.000 3.657 3.606 3.707 . 0 0 "[ . ]" 1
245 1 19 TRP HZ3 1 20 TRP HE3 4.000 4.000 6.000 6.269 6.252 6.295 0.295 5 0 "[ . ]" 1
246 1 20 TRP H 1 20 TRP HB2 1.800 . 3.300 2.193 2.171 2.231 . 0 0 "[ . ]" 1
247 1 20 TRP H 1 20 TRP HB3 3.000 3.000 4.000 3.494 3.464 3.516 . 0 0 "[ . ]" 1
248 1 20 TRP H 1 20 TRP HD1 3.000 3.000 4.000 3.672 3.437 3.855 . 0 0 "[ . ]" 1
249 1 20 TRP H 1 20 TRP HE3 3.500 3.500 5.000 4.996 4.902 5.082 0.082 5 0 "[ . ]" 1
250 1 20 TRP H 1 21 ASP H 1.800 . 3.300 2.290 2.162 2.473 . 0 0 "[ . ]" 1
251 1 20 TRP HA 1 20 TRP HD1 1.800 . 3.300 1.808 1.783 1.836 0.017 6 0 "[ . ]" 1
252 1 20 TRP HA 1 20 TRP HE1 3.500 3.500 5.000 4.301 4.285 4.324 . 0 0 "[ . ]" 1
253 1 20 TRP HA 1 21 ASP H 1.800 . 4.000 3.506 3.498 3.521 . 0 0 "[ . ]" 1
254 1 20 TRP HB2 1 20 TRP HD1 1.800 . 3.800 3.577 3.529 3.634 . 0 0 "[ . ]" 1
255 1 20 TRP HB2 1 20 TRP HE1 3.500 3.500 5.000 5.109 5.091 5.130 0.130 1 0 "[ . ]" 1
256 1 20 TRP HB2 1 20 TRP HE3 1.800 . 3.300 2.904 2.807 2.968 . 0 0 "[ . ]" 1
257 1 20 TRP HB2 1 21 ASP H 1.800 . 3.300 2.851 2.776 2.897 . 0 0 "[ . ]" 1
258 1 20 TRP HB3 1 20 TRP HD1 1.800 . 3.800 3.550 3.488 3.595 . 0 0 "[ . ]" 1
259 1 20 TRP HB3 1 20 TRP HE3 1.800 . 3.300 2.975 2.870 3.077 . 0 0 "[ . ]" 1
260 1 20 TRP HB3 1 21 ASP H 1.800 . 3.300 3.354 3.318 3.387 0.087 2 0 "[ . ]" 1
261 1 20 TRP HD1 1 21 ASP H 3.500 3.500 5.000 4.992 4.952 5.031 0.031 1 0 "[ . ]" 1
262 1 20 TRP HE3 1 21 ASP H 4.000 4.000 6.000 5.532 5.400 5.622 . 0 0 "[ . ]" 1
263 1 20 TRP HE3 1 23 PHE QB 4.000 4.000 7.000 6.130 6.071 6.190 . 0 0 "[ . ]" 1
264 1 21 ASP H 1 21 ASP HB2 1.800 . 3.300 2.744 2.694 2.774 . 0 0 "[ . ]" 1
265 1 21 ASP H 1 21 ASP HB3 1.800 . 3.300 2.364 2.338 2.400 . 0 0 "[ . ]" 1
266 1 21 ASP H 1 22 GLN H 1.800 . 3.300 2.929 2.757 3.117 . 0 0 "[ . ]" 1
267 1 21 ASP HA 1 22 GLN H 1.800 . 4.000 3.575 3.534 3.603 . 0 0 "[ . ]" 1
268 1 21 ASP HA 1 23 PHE H 3.500 3.500 5.000 4.039 3.721 4.317 . 0 0 "[ . ]" 1
269 1 21 ASP HA 1 24 LYS H 3.000 3.000 4.000 3.845 3.347 4.008 0.008 3 0 "[ . ]" 1
270 1 21 ASP HA 1 24 LYS QB 3.000 3.000 5.000 3.849 2.982 4.187 0.018 2 0 "[ . ]" 1
271 1 21 ASP HA 1 24 LYS QG 3.000 3.000 5.000 3.929 2.979 4.555 0.021 3 0 "[ . ]" 1
272 1 21 ASP HB2 1 22 GLN H 3.000 3.000 4.000 3.925 3.800 4.065 0.065 3 0 "[ . ]" 1
273 1 21 ASP HB2 1 23 PHE H 3.500 3.500 6.000 5.495 5.235 5.722 . 0 0 "[ . ]" 1
274 1 21 ASP HB3 1 22 GLN H 1.800 . 3.300 2.546 2.361 2.778 . 0 0 "[ . ]" 1
275 1 21 ASP HB3 1 23 PHE H 3.500 3.500 6.000 4.646 4.418 4.830 . 0 0 "[ . ]" 1
276 1 22 GLN H 1 22 GLN QB 1.800 . 3.900 2.522 2.422 2.675 . 0 0 "[ . ]" 1
277 1 22 GLN H 1 22 GLN HG2 1.800 . 4.000 2.127 1.966 2.229 . 0 0 "[ . ]" 1
278 1 22 GLN H 1 22 GLN HG3 1.800 . 4.000 3.258 3.122 3.469 . 0 0 "[ . ]" 1
279 1 22 GLN H 1 23 PHE H 1.800 . 3.300 2.513 2.265 2.699 . 0 0 "[ . ]" 1
280 1 22 GLN H 1 23 PHE HB2 4.000 4.000 6.000 5.022 4.679 5.251 . 0 0 "[ . ]" 1
281 1 22 GLN H 1 23 PHE HB3 3.500 3.500 5.000 4.623 4.367 4.896 . 0 0 "[ . ]" 1
282 1 22 GLN HA 1 22 GLN HG2 3.000 3.000 4.000 3.765 3.707 3.816 . 0 0 "[ . ]" 1
283 1 22 GLN HA 1 22 GLN HG3 3.000 3.000 4.000 3.653 3.613 3.714 . 0 0 "[ . ]" 1
284 1 22 GLN HA 1 23 PHE H 1.800 . 4.000 3.431 3.327 3.522 . 0 0 "[ . ]" 1
285 1 22 GLN HA 1 25 ARG QB 4.000 4.000 7.000 5.407 4.356 5.865 . 0 0 "[ . ]" 1
286 1 22 GLN HA 1 25 ARG QD 3.000 3.000 5.000 3.815 3.065 4.347 . 0 0 "[ . ]" 1
287 1 22 GLN HA 1 25 ARG QG 3.500 3.500 6.000 4.530 3.727 5.406 . 0 0 "[ . ]" 1
288 1 22 GLN QB 1 22 GLN QE 1.800 . 5.300 3.528 3.444 3.580 . 0 0 "[ . ]" 1
289 1 22 GLN QB 1 23 PHE H 1.800 . 4.300 3.676 3.512 3.817 . 0 0 "[ . ]" 1
290 1 22 GLN HG2 1 23 PHE H 1.800 . 3.300 2.872 2.570 3.239 . 0 0 "[ . ]" 1
291 1 22 GLN HG3 1 23 PHE H 1.800 . 3.300 2.729 2.247 3.096 . 0 0 "[ . ]" 1
292 1 22 GLN HG3 1 23 PHE QE 4.000 4.000 8.000 7.156 6.995 7.248 . 0 0 "[ . ]" 1
293 1 23 PHE H 1 23 PHE HB2 1.800 . 3.300 2.850 2.757 2.917 . 0 0 "[ . ]" 1
294 1 23 PHE H 1 23 PHE HB3 1.800 . 3.300 2.365 2.308 2.405 . 0 0 "[ . ]" 1
295 1 23 PHE H 1 23 PHE QD 1.800 . 5.300 4.116 4.061 4.158 . 0 0 "[ . ]" 1
296 1 23 PHE H 1 24 LYS H 1.800 . 3.300 2.543 2.423 2.781 . 0 0 "[ . ]" 1
297 1 23 PHE HA 1 23 PHE QD 1.800 . 4.300 2.827 2.560 3.005 . 0 0 "[ . ]" 1
298 1 23 PHE HA 1 24 LYS H 1.800 . 4.000 3.461 3.394 3.544 . 0 0 "[ . ]" 1
299 1 23 PHE HB2 1 23 PHE QE 1.800 . 4.700 4.466 4.451 4.499 . 0 0 "[ . ]" 1
300 1 23 PHE HB2 1 24 LYS H 3.500 3.500 5.000 4.290 4.071 4.380 . 0 0 "[ . ]" 1
301 1 23 PHE HB3 1 23 PHE QE 1.800 . 4.700 4.437 4.417 4.452 . 0 0 "[ . ]" 1
302 1 23 PHE HB3 1 24 LYS H 1.800 . 3.300 3.166 2.775 3.346 0.046 6 0 "[ . ]" 1
303 1 23 PHE QD 1 24 LYS H 1.800 . 5.300 3.648 3.239 4.127 . 0 0 "[ . ]" 1
304 1 23 PHE QD 1 24 LYS HA 1.800 . 5.300 3.217 2.877 3.743 . 0 0 "[ . ]" 1
305 1 23 PHE QE 1 24 LYS HA 1.800 . 5.300 4.241 4.026 4.635 . 0 0 "[ . ]" 1
306 1 23 PHE QE 1 25 ARG HA 3.500 3.500 7.000 6.508 6.439 6.559 . 0 0 "[ . ]" 1
307 1 24 LYS H 1 24 LYS QB 1.800 . 3.900 2.585 2.266 2.711 . 0 0 "[ . ]" 1
308 1 24 LYS H 1 24 LYS QD 1.800 . 4.300 3.464 2.884 3.973 . 0 0 "[ . ]" 1
309 1 24 LYS H 1 24 LYS QG 1.800 . 4.300 2.099 1.829 3.086 . 0 0 "[ . ]" 1
310 1 24 LYS H 1 25 ARG H 1.800 . 3.300 2.837 2.765 2.900 . 0 0 "[ . ]" 1
311 1 24 LYS HA 1 24 LYS QD 1.800 . 4.300 3.937 3.669 4.056 . 0 0 "[ . ]" 1
312 1 24 LYS HA 1 24 LYS QG 1.800 . 3.900 3.293 3.261 3.364 . 0 0 "[ . ]" 1
313 1 24 LYS HA 1 25 ARG H 1.800 . 3.300 3.433 3.402 3.463 0.163 3 0 "[ . ]" 1
314 1 24 LYS QB 1 24 LYS QE 1.800 . 4.500 3.033 2.197 3.622 . 0 0 "[ . ]" 1
315 1 24 LYS QD 1 25 ARG HE 3.500 3.500 6.000 4.766 3.740 5.377 . 0 0 "[ . ]" 1
316 1 24 LYS QE 1 24 LYS QG 1.800 . 4.500 2.118 1.878 2.444 . 0 0 "[ . ]" 1
317 1 24 LYS QG 1 25 ARG H 1.800 . 4.300 2.382 2.189 2.513 . 0 0 "[ . ]" 1
318 1 25 ARG H 1 25 ARG HB2 1.800 . 3.900 3.145 2.864 3.570 . 0 0 "[ . ]" 1
319 1 25 ARG H 1 25 ARG HB3 1.800 . 3.900 3.530 2.389 3.808 . 0 0 "[ . ]" 1
320 1 25 ARG H 1 25 ARG QG 1.800 . 4.300 2.347 1.802 3.811 . 0 0 "[ . ]" 1
321 1 25 ARG HA 1 25 ARG QG 1.800 . 3.900 2.877 2.641 3.180 . 0 0 "[ . ]" 1
322 1 25 ARG HB2 1 25 ARG QD 1.800 . 3.900 2.631 2.305 3.253 . 0 0 "[ . ]" 1
323 1 25 ARG HB3 1 25 ARG QD 1.800 . 3.900 2.759 2.084 3.375 . 0 0 "[ . ]" 1
324 1 25 ARG QD 1 25 ARG QG 1.800 . 4.500 2.021 1.963 2.051 . 0 0 "[ . ]" 1
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