NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377515 |
1gbq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gbq
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 182
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 25.236
_Distance_constraint_stats_list.Viol_max 7.569
_Distance_constraint_stats_list.Viol_rms 0.9293
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1387
_Distance_constraint_stats_list.Viol_average_violations_only 1.2017
_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 10 MET 0.050 0.039 1 0 "[ ]"
1 11 GLU 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.075 0.038 1 0 "[ ]"
1 13 ILE 0.000 0.000 . 0 "[ ]"
1 14 ALA 0.020 0.020 1 0 "[ ]"
1 15 LYS 0.194 0.103 1 0 "[ ]"
1 16 TYR 0.158 0.091 1 0 "[ ]"
1 17 ASP 0.010 0.010 1 0 "[ ]"
1 18 PHE 24.637 7.569 1 1 [+]
1 19 LYS 0.182 0.066 1 0 "[ ]"
1 20 ALA 0.049 0.049 1 0 "[ ]"
1 21 THR 0.049 0.049 1 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 25 GLU 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.058 0.058 1 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 ARG 0.065 0.065 1 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 ASP 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.038 0.038 1 0 "[ ]"
1 36 VAL 0.039 0.039 1 0 "[ ]"
1 45 TRP 0.000 0.000 . 0 "[ ]"
1 61 TYR 0.090 0.049 1 0 "[ ]"
1 62 ILE 0.056 0.036 1 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 MET 0.012 0.012 1 0 "[ ]"
2 2 VAL 24.484 7.569 1 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 10 MET HA 1 10 MET HB3 2.600 . 3.400 3.035 3.035 3.035 . 0 0 "[ ]" 1
2 1 10 MET HA 1 10 MET QG 2.400 . 3.100 2.782 2.782 2.782 . 0 0 "[ ]" 1
3 1 10 MET HB3 1 10 MET QG 2.600 . 3.400 2.257 2.257 2.257 . 0 0 "[ ]" 1
4 1 10 MET HB2 1 10 MET QG 2.500 . 3.300 2.551 2.551 2.551 . 0 0 "[ ]" 1
5 1 10 MET H 1 10 MET HB3 2.700 . 4.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
6 1 10 MET H 1 10 MET HB2 2.600 . 4.400 3.191 3.191 3.191 . 0 0 "[ ]" 1
7 1 10 MET H 1 10 MET QG 3.000 . 3.900 3.888 3.888 3.888 . 0 0 "[ ]" 1
8 1 10 MET HA 1 11 GLU H 2.000 . 2.600 2.127 2.127 2.127 . 0 0 "[ ]" 1
9 1 10 MET HB2 1 36 VAL QG 2.700 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
10 1 10 MET H 1 36 VAL QG 3.700 . 4.800 3.113 3.113 3.113 . 0 0 "[ ]" 1
11 1 10 MET H 1 36 VAL H 3.000 . 3.900 3.013 3.013 3.013 . 0 0 "[ ]" 1
12 1 10 MET QG 1 64 MET QB 2.600 . 3.400 3.412 3.412 3.412 0.012 1 0 "[ ]" 1
13 1 11 GLU HA 1 11 GLU QB 2.200 . 2.900 2.440 2.440 2.440 . 0 0 "[ ]" 1
14 1 11 GLU HA 1 11 GLU QG 2.600 . 3.400 2.335 2.335 2.335 . 0 0 "[ ]" 1
15 1 11 GLU QB 1 11 GLU QG 2.200 . 2.900 2.146 2.146 2.146 . 0 0 "[ ]" 1
16 1 11 GLU H 1 11 GLU HA 2.900 . 3.800 2.933 2.933 2.933 . 0 0 "[ ]" 1
17 1 11 GLU H 1 11 GLU QB 2.700 . 3.500 2.427 2.427 2.427 . 0 0 "[ ]" 1
18 1 11 GLU H 1 11 GLU QG 3.000 . 3.900 2.835 2.835 2.835 . 0 0 "[ ]" 1
19 1 11 GLU HA 1 12 ALA H 2.000 . 2.600 2.047 2.047 2.047 . 0 0 "[ ]" 1
20 1 11 GLU QB 1 12 ALA H 2.900 . 3.800 3.431 3.431 3.431 . 0 0 "[ ]" 1
21 1 11 GLU QG 1 12 ALA H 3.500 . 4.600 4.074 4.074 4.074 . 0 0 "[ ]" 1
22 1 11 GLU H 1 12 ALA H 3.400 . 4.400 4.297 4.297 4.297 . 0 0 "[ ]" 1
23 1 12 ALA H 1 12 ALA HA 2.800 . 3.600 2.958 2.958 2.958 . 0 0 "[ ]" 1
24 1 12 ALA HA 1 13 ILE H 2.100 . 2.700 2.177 2.177 2.177 . 0 0 "[ ]" 1
25 1 12 ALA H 1 34 LEU QB 3.100 . 4.000 3.085 3.085 3.085 . 0 0 "[ ]" 1
26 1 12 ALA H 1 34 LEU H 2.600 . 3.400 3.438 3.438 3.438 0.038 1 0 "[ ]" 1
27 1 12 ALA HA 1 62 ILE QG 2.400 . 3.100 3.136 3.136 3.136 0.036 1 0 "[ ]" 1
28 1 12 ALA HA 1 64 MET HA 3.000 . 3.900 3.027 3.027 3.027 . 0 0 "[ ]" 1
29 1 13 ILE HA 1 13 ILE HB 2.800 . 3.600 3.043 3.043 3.043 . 0 0 "[ ]" 1
30 1 13 ILE HA 1 13 ILE QG 2.800 . 3.600 2.481 2.481 2.481 . 0 0 "[ ]" 1
31 1 13 ILE HA 1 13 ILE MG 3.000 . 3.900 2.500 2.500 2.500 . 0 0 "[ ]" 1
32 1 13 ILE HB 1 13 ILE QG 2.200 . 2.900 2.398 2.398 2.398 . 0 0 "[ ]" 1
33 1 13 ILE MD 1 13 ILE QG 2.000 . 2.600 1.924 1.924 1.924 . 0 0 "[ ]" 1
34 1 13 ILE QG 1 13 ILE MG 2.000 . 2.600 2.399 2.399 2.399 . 0 0 "[ ]" 1
35 1 13 ILE H 1 13 ILE HB 2.200 . 2.900 2.698 2.698 2.698 . 0 0 "[ ]" 1
36 1 13 ILE H 1 13 ILE QG 2.500 . 3.300 3.049 3.049 3.049 . 0 0 "[ ]" 1
37 1 13 ILE HA 1 14 ALA H 2.000 . 2.600 2.076 2.076 2.076 . 0 0 "[ ]" 1
38 1 13 ILE H 1 14 ALA H 3.300 . 4.300 4.079 4.079 4.079 . 0 0 "[ ]" 1
39 1 13 ILE HA 1 34 LEU H 2.800 . 3.600 3.534 3.534 3.534 . 0 0 "[ ]" 1
40 1 13 ILE H 1 62 ILE HA 3.500 . 4.600 4.524 4.524 4.524 . 0 0 "[ ]" 1
41 1 13 ILE HB 1 63 GLU QB 3.100 . 4.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
42 1 13 ILE HB 1 63 GLU QG 3.500 . 4.600 4.278 4.278 4.278 . 0 0 "[ ]" 1
43 1 14 ALA HA 1 14 ALA MB 2.000 . 2.600 2.180 2.180 2.180 . 0 0 "[ ]" 1
44 1 14 ALA H 1 14 ALA HA 2.600 . 3.400 2.858 2.858 2.858 . 0 0 "[ ]" 1
45 1 14 ALA H 1 14 ALA MB 2.100 . 2.700 2.169 2.169 2.169 . 0 0 "[ ]" 1
46 1 14 ALA HA 1 15 LYS H 2.100 . 2.700 2.103 2.103 2.103 . 0 0 "[ ]" 1
47 1 14 ALA MB 1 15 LYS H 3.000 . 3.900 3.215 3.215 3.215 . 0 0 "[ ]" 1
48 1 14 ALA H 1 15 LYS H 3.600 . 4.700 4.507 4.507 4.507 . 0 0 "[ ]" 1
49 1 14 ALA HA 1 16 TYR H 2.900 . 3.800 3.421 3.421 3.421 . 0 0 "[ ]" 1
50 1 14 ALA MB 1 16 TYR H 2.700 . 3.500 3.054 3.054 3.054 . 0 0 "[ ]" 1
51 1 14 ALA HA 1 28 PHE QE 3.400 . 4.400 3.511 3.511 3.511 . 0 0 "[ ]" 1
52 1 14 ALA MB 1 28 PHE QB 2.400 . 3.100 2.760 2.760 2.760 . 0 0 "[ ]" 1
53 1 14 ALA MB 1 28 PHE QD 2.400 . 3.100 1.971 1.971 1.971 . 0 0 "[ ]" 1
54 1 14 ALA MB 1 28 PHE QE 2.500 . 3.300 2.722 2.722 2.722 . 0 0 "[ ]" 1
55 1 14 ALA MB 1 29 LYS H 4.400 . 5.700 4.061 4.061 4.061 . 0 0 "[ ]" 1
56 1 14 ALA MB 1 30 ARG H 3.700 . 4.800 4.129 4.129 4.129 . 0 0 "[ ]" 1
57 1 14 ALA MB 1 31 GLY H 2.500 . 3.300 1.801 1.801 1.801 . 0 0 "[ ]" 1
58 1 14 ALA MB 1 32 ASP HB2 2.900 . 3.800 2.806 2.806 2.806 . 0 0 "[ ]" 1
59 1 14 ALA MB 1 32 ASP H 2.500 . 3.300 1.879 1.879 1.879 . 0 0 "[ ]" 1
60 1 14 ALA H 1 32 ASP H 3.400 . 4.400 3.399 3.399 3.399 . 0 0 "[ ]" 1
61 1 14 ALA MB 1 34 LEU QD 2.500 . 3.300 2.592 2.592 2.592 . 0 0 "[ ]" 1
62 1 14 ALA H 1 34 LEU QD 3.200 . 4.200 2.730 2.730 2.730 . 0 0 "[ ]" 1
63 1 14 ALA H 1 34 LEU H 3.700 . 4.800 4.556 4.556 4.556 . 0 0 "[ ]" 1
64 1 14 ALA HA 1 62 ILE HA 2.300 . 3.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
65 1 14 ALA HA 1 62 ILE MG 2.600 . 3.400 3.420 3.420 3.420 0.020 1 0 "[ ]" 1
66 1 15 LYS HA 1 15 LYS QB 2.000 . 2.600 2.419 2.419 2.419 . 0 0 "[ ]" 1
67 1 15 LYS HA 1 15 LYS QD 2.600 . 3.400 3.503 3.503 3.503 0.103 1 0 "[ ]" 1
68 1 15 LYS QB 1 15 LYS QD 2.500 . 3.300 2.078 2.078 2.078 . 0 0 "[ ]" 1
69 1 15 LYS QB 1 15 LYS QE 3.200 . 4.200 2.568 2.568 2.568 . 0 0 "[ ]" 1
70 1 15 LYS QD 1 15 LYS QG 2.300 . 3.000 2.037 2.037 2.037 . 0 0 "[ ]" 1
71 1 15 LYS QE 1 15 LYS QG 2.400 . 3.100 2.249 2.249 2.249 . 0 0 "[ ]" 1
72 1 15 LYS H 1 15 LYS HA 2.700 . 3.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
73 1 15 LYS H 1 15 LYS QB 2.600 . 3.400 2.325 2.325 2.325 . 0 0 "[ ]" 1
74 1 15 LYS H 1 15 LYS QG 3.200 . 4.200 2.683 2.683 2.683 . 0 0 "[ ]" 1
75 1 15 LYS HA 1 16 TYR H 3.500 . 4.600 3.423 3.423 3.423 . 0 0 "[ ]" 1
76 1 15 LYS QB 1 16 TYR QD 2.900 . 3.800 2.371 2.371 2.371 . 0 0 "[ ]" 1
77 1 15 LYS QB 1 16 TYR QE 2.600 . 3.400 2.612 2.612 2.612 . 0 0 "[ ]" 1
78 1 15 LYS QB 1 16 TYR H 3.000 . 3.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
79 1 15 LYS QE 1 16 TYR QE 2.900 . 3.800 2.585 2.585 2.585 . 0 0 "[ ]" 1
80 1 15 LYS QG 1 16 TYR H 3.100 . 4.000 4.091 4.091 4.091 0.091 1 0 "[ ]" 1
81 1 15 LYS H 1 16 TYR H 2.300 . 3.000 2.126 2.126 2.126 . 0 0 "[ ]" 1
82 1 15 LYS H 1 28 PHE QE 4.300 . 5.600 4.015 4.015 4.015 . 0 0 "[ ]" 1
83 1 15 LYS HA 1 30 ARG HA 3.600 . 4.700 4.684 4.684 4.684 . 0 0 "[ ]" 1
84 1 15 LYS HA 1 31 GLY H 3.900 . 5.100 4.729 4.729 4.729 . 0 0 "[ ]" 1
85 1 15 LYS QG 1 62 ILE HA 2.700 . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
86 1 15 LYS H 1 62 ILE HA 2.400 . 3.100 2.009 2.009 2.009 . 0 0 "[ ]" 1
87 1 15 LYS QE 1 63 GLU QB 2.900 . 3.800 2.546 2.546 2.546 . 0 0 "[ ]" 1
88 1 15 LYS QG 1 63 GLU QB 2.400 . 3.100 2.243 2.243 2.243 . 0 0 "[ ]" 1
89 1 16 TYR HA 1 16 TYR HB3 2.400 . 3.100 2.476 2.476 2.476 . 0 0 "[ ]" 1
90 1 16 TYR HA 1 16 TYR HB2 2.700 . 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
91 1 16 TYR HB3 1 16 TYR QD 2.600 . 3.400 2.490 2.490 2.490 . 0 0 "[ ]" 1
92 1 16 TYR HB2 1 16 TYR QD 2.300 . 3.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
93 1 16 TYR H 1 16 TYR HA 2.700 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
94 1 16 TYR H 1 16 TYR HB3 3.200 . 4.200 3.923 3.923 3.923 . 0 0 "[ ]" 1
95 1 16 TYR H 1 16 TYR HB2 2.800 . 3.600 2.848 2.848 2.848 . 0 0 "[ ]" 1
96 1 16 TYR H 1 16 TYR QD 3.000 . 3.900 3.037 3.037 3.037 . 0 0 "[ ]" 1
97 1 16 TYR HB3 1 17 ASP H 2.600 . 3.400 2.285 2.285 2.285 . 0 0 "[ ]" 1
98 1 16 TYR HB2 1 17 ASP H 2.600 . 3.400 3.410 3.410 3.410 0.010 1 0 "[ ]" 1
99 1 16 TYR QD 1 17 ASP H 3.100 . 4.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
100 1 16 TYR H 1 28 PHE QD 3.400 . 4.400 4.458 4.458 4.458 0.058 1 0 "[ ]" 1
101 1 16 TYR HA 1 30 ARG QB 2.800 . 3.600 2.694 2.694 2.694 . 0 0 "[ ]" 1
102 1 16 TYR H 1 30 ARG HA 3.100 . 4.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
103 1 16 TYR H 1 30 ARG QB 3.500 . 4.600 4.541 4.541 4.541 . 0 0 "[ ]" 1
104 1 16 TYR H 1 31 GLY H 3.800 . 4.900 4.529 4.529 4.529 . 0 0 "[ ]" 1
105 1 16 TYR HB3 1 61 TYR QD 2.900 . 3.800 3.401 3.401 3.401 . 0 0 "[ ]" 1
106 1 16 TYR HB3 1 61 TYR QE 3.100 . 4.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
107 1 16 TYR HB2 1 61 TYR QD 2.400 . 3.100 2.297 2.297 2.297 . 0 0 "[ ]" 1
108 1 16 TYR HB2 1 61 TYR QE 2.600 . 3.400 3.255 3.255 3.255 . 0 0 "[ ]" 1
109 1 16 TYR QD 1 61 TYR HA 2.000 . 2.600 2.111 2.111 2.111 . 0 0 "[ ]" 1
110 1 16 TYR QE 1 61 TYR HA 2.700 . 4.500 3.632 3.632 3.632 . 0 0 "[ ]" 1
111 1 17 ASP HA 1 17 ASP QB 2.600 . 3.400 2.202 2.202 2.202 . 0 0 "[ ]" 1
112 1 17 ASP H 1 17 ASP QB 2.400 . 3.100 2.706 2.706 2.706 . 0 0 "[ ]" 1
113 1 17 ASP HA 1 18 PHE H 2.200 . 2.900 2.055 2.055 2.055 . 0 0 "[ ]" 1
114 1 17 ASP QB 1 18 PHE H 2.600 . 3.400 3.135 3.135 3.135 . 0 0 "[ ]" 1
115 1 17 ASP HA 1 29 LYS HA 3.200 . 4.200 2.595 2.595 2.595 . 0 0 "[ ]" 1
116 1 17 ASP QB 1 29 LYS HA 3.100 . 4.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
117 1 17 ASP HA 1 30 ARG H 2.600 . 3.400 2.107 2.107 2.107 . 0 0 "[ ]" 1
118 1 17 ASP QB 1 30 ARG H 3.300 . 4.300 2.213 2.213 2.213 . 0 0 "[ ]" 1
119 1 17 ASP H 1 30 ARG H 3.100 . 4.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
120 1 18 PHE HA 1 18 PHE HB3 2.700 . 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 1
121 1 18 PHE HA 1 18 PHE HB2 2.400 . 3.100 2.594 2.594 2.594 . 0 0 "[ ]" 1
122 1 18 PHE HA 1 18 PHE QD 2.400 . 3.100 2.272 2.272 2.272 . 0 0 "[ ]" 1
123 1 18 PHE HB3 1 18 PHE QD 2.700 . 3.500 2.348 2.348 2.348 . 0 0 "[ ]" 1
124 1 18 PHE HB2 1 18 PHE QD 2.700 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
125 1 18 PHE HB2 1 18 PHE QE 2.700 . 4.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
126 1 18 PHE H 1 18 PHE HA 2.600 . 3.400 2.988 2.988 2.988 . 0 0 "[ ]" 1
127 1 18 PHE H 1 18 PHE HB3 2.900 . 3.800 2.920 2.920 2.920 . 0 0 "[ ]" 1
128 1 18 PHE H 1 18 PHE HB2 2.700 . 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
129 1 18 PHE H 1 18 PHE QD 3.800 . 4.900 4.445 4.445 4.445 . 0 0 "[ ]" 1
130 1 18 PHE HA 1 19 LYS H 2.100 . 2.700 1.967 1.967 1.967 . 0 0 "[ ]" 1
131 1 18 PHE HB3 1 19 LYS H 3.300 . 4.000 4.009 4.009 4.009 0.009 1 0 "[ ]" 1
132 1 18 PHE QD 1 19 LYS H 2.900 . 3.800 3.182 3.182 3.182 . 0 0 "[ ]" 1
133 1 18 PHE QE 1 19 LYS H 3.800 . 4.900 4.182 4.182 4.182 . 0 0 "[ ]" 1
134 1 18 PHE H 1 19 LYS H 3.100 . 4.200 4.231 4.231 4.231 0.031 1 0 "[ ]" 1
135 1 18 PHE QE 1 21 THR H 3.200 . 4.200 3.776 3.776 3.776 . 0 0 "[ ]" 1
136 1 18 PHE HZ 1 21 THR H 4.000 . 5.200 4.217 4.217 4.217 . 0 0 "[ ]" 1
137 1 18 PHE QE 1 21 THR MG 2.900 . 3.800 3.168 3.168 3.168 . 0 0 "[ ]" 1
138 1 18 PHE HZ 1 21 THR MG 2.800 . 3.600 2.322 2.322 2.322 . 0 0 "[ ]" 1
139 1 18 PHE HB3 1 28 PHE QD 2.700 . 3.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
140 1 18 PHE HB3 1 28 PHE QE 3.000 . 3.900 2.975 2.975 2.975 . 0 0 "[ ]" 1
141 1 18 PHE HB3 1 28 PHE HZ 3.200 . 4.200 3.113 3.113 3.113 . 0 0 "[ ]" 1
142 1 18 PHE HB2 1 28 PHE QD 2.400 . 4.100 4.075 4.075 4.075 . 0 0 "[ ]" 1
143 1 18 PHE HB2 1 28 PHE QE 3.000 . 3.900 2.917 2.917 2.917 . 0 0 "[ ]" 1
144 1 18 PHE HB2 1 28 PHE HZ 3.100 . 4.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
145 1 18 PHE QD 1 28 PHE H 3.500 . 4.600 4.259 4.259 4.259 . 0 0 "[ ]" 1
146 1 18 PHE H 1 28 PHE QD 3.000 . 3.900 3.402 3.402 3.402 . 0 0 "[ ]" 1
147 1 18 PHE H 1 28 PHE H 2.800 . 3.600 3.509 3.509 3.509 . 0 0 "[ ]" 1
148 1 18 PHE H 1 29 LYS HA 2.700 . 3.500 3.166 3.166 3.166 . 0 0 "[ ]" 1
149 1 18 PHE H 1 30 ARG H 2.900 . 3.800 3.865 3.865 3.865 0.065 1 0 "[ ]" 1
150 1 18 PHE HZ 1 45 TRP HH2 3.100 . 4.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
151 1 18 PHE HZ 1 45 TRP HZ3 3.100 . 4.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
152 1 18 PHE HB2 1 61 TYR QE 2.900 . 4.800 3.342 3.342 3.342 . 0 0 "[ ]" 1
153 1 18 PHE HB2 1 61 TYR QD 2.800 . 3.600 2.167 2.167 2.167 . 0 0 "[ ]" 1
154 1 18 PHE QD 1 61 TYR QE 2.000 . 2.600 2.649 2.649 2.649 0.049 1 0 "[ ]" 1
155 1 18 PHE QD 2 2 VAL QG 3.200 . 4.200 8.090 8.090 8.090 3.890 1 1 [+] 1
156 1 18 PHE QE 2 2 VAL HB 3.500 . 4.600 12.169 12.169 12.169 7.569 1 1 [+] 1
157 1 18 PHE QE 2 2 VAL QG 2.300 . 3.000 8.489 8.489 8.489 5.489 1 1 [+] 1
158 1 18 PHE HZ 2 2 VAL QG 2.300 . 3.000 10.535 10.535 10.535 7.535 1 1 [+] 1
159 1 19 LYS HA 1 19 LYS QB 2.600 . 3.400 2.439 2.439 2.439 . 0 0 "[ ]" 1
160 1 19 LYS HA 1 19 LYS QG 3.500 . 4.600 2.518 2.518 2.518 . 0 0 "[ ]" 1
161 1 19 LYS QB 1 19 LYS QG 2.000 . 2.600 2.054 2.054 2.054 . 0 0 "[ ]" 1
162 1 19 LYS H 1 19 LYS HA 2.800 . 3.600 2.948 2.948 2.948 . 0 0 "[ ]" 1
163 1 19 LYS H 1 19 LYS QB 2.700 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
164 1 19 LYS H 1 19 LYS QD 3.500 . 4.600 4.637 4.637 4.637 0.037 1 0 "[ ]" 1
165 1 19 LYS H 1 19 LYS QG 3.000 . 3.900 3.966 3.966 3.966 0.066 1 0 "[ ]" 1
166 1 19 LYS HA 1 20 ALA H 2.200 . 2.900 2.261 2.261 2.261 . 0 0 "[ ]" 1
167 1 19 LYS QB 1 20 ALA H 3.600 . 4.700 3.926 3.926 3.926 . 0 0 "[ ]" 1
168 1 19 LYS QD 1 20 ALA H 3.400 . 4.400 4.073 4.073 4.073 . 0 0 "[ ]" 1
169 1 19 LYS QG 1 20 ALA H 3.400 . 4.400 2.907 2.907 2.907 . 0 0 "[ ]" 1
170 1 19 LYS H 1 20 ALA H 3.500 . 4.600 4.371 4.371 4.371 . 0 0 "[ ]" 1
171 1 19 LYS HA 1 28 PHE H 3.200 . 4.200 3.711 3.711 3.711 . 0 0 "[ ]" 1
172 1 19 LYS H 1 61 TYR QD 3.500 . 5.600 5.640 5.640 5.640 0.040 1 0 "[ ]" 1
173 1 19 LYS H 1 61 TYR QE 3.500 . 5.600 5.011 5.011 5.011 . 0 0 "[ ]" 1
174 1 20 ALA HA 1 20 ALA MB 2.400 . 3.100 2.140 2.140 2.140 . 0 0 "[ ]" 1
175 1 20 ALA H 1 20 ALA HA 2.800 . 3.600 2.788 2.788 2.788 . 0 0 "[ ]" 1
176 1 20 ALA H 1 20 ALA MB 2.300 . 3.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
177 1 20 ALA HA 1 21 THR H 2.100 . 2.700 2.137 2.137 2.137 . 0 0 "[ ]" 1
178 1 20 ALA MB 1 21 THR HA 3.100 . 4.000 4.049 4.049 4.049 0.049 1 0 "[ ]" 1
179 1 20 ALA MB 1 21 THR H 2.900 . 3.800 2.241 2.241 2.241 . 0 0 "[ ]" 1
180 1 20 ALA HA 1 22 ALA H 2.900 . 3.800 3.720 3.720 3.720 . 0 0 "[ ]" 1
181 1 20 ALA MB 1 22 ALA H 2.600 . 3.400 2.234 2.234 2.234 . 0 0 "[ ]" 1
182 1 20 ALA HA 1 25 GLU HB3 2.800 . 3.600 2.944 2.944 2.944 . 0 0 "[ ]" 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 57
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.195
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0135
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0391
_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 20 ALA 0.051 0.044 1 0 "[ ]"
1 21 THR 0.061 0.061 1 0 "[ ]"
1 22 ALA 0.073 0.061 1 0 "[ ]"
1 23 ASP 0.000 0.000 . 0 "[ ]"
1 24 ASP 0.083 0.071 1 0 "[ ]"
1 25 GLU 0.078 0.071 1 0 "[ ]"
1 26 LEU 0.000 0.000 . 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.044 0.044 1 0 "[ ]"
1 56 PHE 0.000 0.000 . 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 20 ALA HA 1 25 GLU HB2 2.800 . 3.600 3.608 3.608 3.608 0.008 1 0 "[ ]" 2
2 1 20 ALA MB 1 25 GLU HB2 2.300 . 4.000 2.128 2.128 2.128 . 0 0 "[ ]" 2
3 1 20 ALA MB 1 25 GLU H 3.100 . 4.000 3.691 3.691 3.691 . 0 0 "[ ]" 2
4 1 20 ALA MB 1 25 GLU HA 3.200 . 4.200 3.753 3.753 3.753 . 0 0 "[ ]" 2
5 1 20 ALA MB 1 26 LEU HA 3.800 . 4.900 2.367 2.367 2.367 . 0 0 "[ ]" 2
6 1 20 ALA MB 1 27 SER H 2.800 . 3.800 3.358 3.358 3.358 . 0 0 "[ ]" 2
7 1 20 ALA H 1 27 SER HA 2.400 . 3.100 2.750 2.750 2.750 . 0 0 "[ ]" 2
8 1 20 ALA H 1 27 SER HB3 3.000 . 4.100 3.651 3.651 3.651 . 0 0 "[ ]" 2
9 1 20 ALA H 1 27 SER HB2 3.800 . 4.900 4.253 4.253 4.253 . 0 0 "[ ]" 2
10 1 20 ALA H 1 27 SER H 3.800 . 4.900 3.751 3.751 3.751 . 0 0 "[ ]" 2
11 1 20 ALA H 1 28 PHE H 3.400 . 4.400 4.444 4.444 4.444 0.044 1 0 "[ ]" 2
12 1 21 THR HA 1 21 THR MG 2.200 . 2.900 2.438 2.438 2.438 . 0 0 "[ ]" 2
13 1 21 THR HB 1 21 THR MG 2.100 . 2.700 2.110 2.110 2.110 . 0 0 "[ ]" 2
14 1 21 THR H 1 21 THR HA 2.800 . 3.600 2.970 2.970 2.970 . 0 0 "[ ]" 2
15 1 21 THR H 1 21 THR HB 3.300 . 4.300 3.653 3.653 3.653 . 0 0 "[ ]" 2
16 1 21 THR H 1 21 THR MG 2.800 . 3.600 2.521 2.521 2.521 . 0 0 "[ ]" 2
17 1 21 THR HA 1 22 ALA H 3.200 . 4.200 3.398 3.398 3.398 . 0 0 "[ ]" 2
18 1 21 THR HB 1 22 ALA H 3.500 . 4.600 4.088 4.088 4.088 . 0 0 "[ ]" 2
19 1 21 THR MG 1 22 ALA H 3.000 . 3.900 3.961 3.961 3.961 0.061 1 0 "[ ]" 2
20 1 21 THR H 1 22 ALA H 2.300 . 3.000 1.970 1.970 1.970 . 0 0 "[ ]" 2
21 1 21 THR H 1 25 GLU HB2 3.300 . 4.300 2.872 2.872 2.872 . 0 0 "[ ]" 2
22 1 21 THR H 1 25 GLU H 4.000 . 5.200 5.081 5.081 5.081 . 0 0 "[ ]" 2
23 1 22 ALA HA 1 22 ALA MB 2.400 . 3.100 2.202 2.202 2.202 . 0 0 "[ ]" 2
24 1 22 ALA H 1 22 ALA HA 2.300 . 4.000 2.975 2.975 2.975 . 0 0 "[ ]" 2
25 1 22 ALA H 1 22 ALA MB 2.700 . 3.500 2.630 2.630 2.630 . 0 0 "[ ]" 2
26 1 22 ALA HA 1 23 ASP H 2.300 . 3.000 2.311 2.311 2.311 . 0 0 "[ ]" 2
27 1 22 ALA MB 1 23 ASP H 2.600 . 3.400 2.209 2.209 2.209 . 0 0 "[ ]" 2
28 1 22 ALA H 1 23 ASP H 3.400 . 4.400 4.387 4.387 4.387 . 0 0 "[ ]" 2
29 1 22 ALA H 1 24 ASP H 3.600 . 4.700 4.712 4.712 4.712 0.012 1 0 "[ ]" 2
30 1 22 ALA MB 1 24 ASP H 2.600 . 3.400 2.536 2.536 2.536 . 0 0 "[ ]" 2
31 1 20 ALA MB 1 25 GLU HB3 2.500 . 3.300 2.122 2.122 2.122 . 0 0 "[ ]" 2
32 1 20 ALA MB 1 25 GLU HB2 2.400 . 3.100 2.053 2.053 2.053 . 0 0 "[ ]" 2
33 1 20 ALA MB 1 25 GLU H 2.600 . 3.400 2.795 2.795 2.795 . 0 0 "[ ]" 2
34 1 22 ALA H 1 25 GLU HB2 2.600 . 3.400 2.267 2.267 2.267 . 0 0 "[ ]" 2
35 1 22 ALA H 1 25 GLU HB3 2.800 . 3.600 3.484 3.484 3.484 . 0 0 "[ ]" 2
36 1 22 ALA H 1 25 GLU H 3.500 . 4.600 3.781 3.781 3.781 . 0 0 "[ ]" 2
37 1 23 ASP HA 1 23 ASP QB 2.100 . 2.700 2.410 2.410 2.410 . 0 0 "[ ]" 2
38 1 23 ASP H 1 23 ASP HA 2.500 . 3.300 2.832 2.832 2.832 . 0 0 "[ ]" 2
39 1 23 ASP H 1 23 ASP QB 2.500 . 3.300 2.070 2.070 2.070 . 0 0 "[ ]" 2
40 1 23 ASP HA 1 24 ASP H 3.200 . 4.200 3.468 3.468 3.468 . 0 0 "[ ]" 2
41 1 23 ASP QB 1 24 ASP H 2.800 . 3.600 2.900 2.900 2.900 . 0 0 "[ ]" 2
42 1 23 ASP H 1 24 ASP H 2.600 . 3.400 2.590 2.590 2.590 . 0 0 "[ ]" 2
43 1 23 ASP HA 1 25 GLU H 3.200 . 4.200 4.017 4.017 4.017 . 0 0 "[ ]" 2
44 1 23 ASP QB 1 25 GLU H 3.500 . 4.600 4.595 4.595 4.595 . 0 0 "[ ]" 2
45 1 23 ASP H 1 25 GLU H 3.600 . 4.700 3.999 3.999 3.999 . 0 0 "[ ]" 2
46 1 24 ASP HA 1 24 ASP QB 2.200 . 2.900 2.160 2.160 2.160 . 0 0 "[ ]" 2
47 1 24 ASP H 1 24 ASP QB 3.100 . 4.000 2.671 2.671 2.671 . 0 0 "[ ]" 2
48 1 24 ASP HA 1 25 GLU H 2.800 . 3.600 3.328 3.328 3.328 . 0 0 "[ ]" 2
49 1 24 ASP QB 1 25 GLU H 3.700 . 4.800 3.597 3.597 3.597 . 0 0 "[ ]" 2
50 1 24 ASP HB3 1 25 GLU H 3.000 . 4.000 4.071 4.071 4.071 0.071 1 0 "[ ]" 2
51 1 24 ASP HB2 1 25 GLU H 4.000 . 5.300 4.005 4.005 4.005 . 0 0 "[ ]" 2
52 1 24 ASP H 1 25 GLU H 2.300 . 3.000 2.188 2.188 2.188 . 0 0 "[ ]" 2
53 1 24 ASP HB2 1 56 PHE QE 3.000 . 4.900 2.674 2.674 2.674 . 0 0 "[ ]" 2
54 1 24 ASP HB3 1 56 PHE QD 3.600 . 4.700 4.022 4.022 4.022 . 0 0 "[ ]" 2
55 1 24 ASP HB3 1 56 PHE QE 4.200 . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 2
56 1 25 GLU HA 1 25 GLU HB3 3.000 . 3.900 2.676 2.676 2.676 . 0 0 "[ ]" 2
57 1 25 GLU HA 1 25 GLU HB2 2.100 . 2.700 2.294 2.294 2.294 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 561
_Distance_constraint_stats_list.Viol_count 103
_Distance_constraint_stats_list.Viol_total 311.648
_Distance_constraint_stats_list.Viol_max 12.146
_Distance_constraint_stats_list.Viol_rms 1.9555
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5555
_Distance_constraint_stats_list.Viol_average_violations_only 3.0257
_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 25 GLU 0.080 0.046 1 0 "[ ]"
1 26 LEU 0.319 0.100 1 0 "[ ]"
1 27 SER 0.080 0.080 1 0 "[ ]"
1 28 PHE 0.084 0.066 1 0 "[ ]"
1 29 LYS 0.005 0.005 1 0 "[ ]"
1 30 ARG 0.025 0.025 1 0 "[ ]"
1 31 GLY 0.046 0.025 1 0 "[ ]"
1 32 ASP 0.217 0.100 1 0 "[ ]"
1 33 ILE 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.392 0.100 1 0 "[ ]"
1 35 LYS 0.216 0.105 1 0 "[ ]"
1 36 VAL 0.104 0.072 1 0 "[ ]"
1 37 LEU 0.049 0.049 1 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 39 GLU 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.242 0.169 1 0 "[ ]"
1 41 CYS 0.053 0.053 1 0 "[ ]"
1 42 ASP 0.019 0.019 1 0 "[ ]"
1 43 GLN 0.048 0.036 1 0 "[ ]"
1 44 ASN 33.532 9.530 1 1 [+]
1 45 TRP 162.496 12.146 1 1 [+]
1 46 TYR 0.189 0.082 1 0 "[ ]"
1 47 LYS 0.074 0.055 1 0 "[ ]"
1 48 ALA 0.107 0.049 1 0 "[ ]"
1 49 GLU 0.113 0.105 1 0 "[ ]"
1 50 LEU 0.462 0.113 1 0 "[ ]"
1 51 ASN 0.216 0.113 1 0 "[ ]"
1 52 GLY 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.147 0.100 1 0 "[ ]"
1 54 ASP 0.106 0.047 1 0 "[ ]"
1 55 GLY 0.071 0.054 1 0 "[ ]"
1 56 PHE 0.067 0.031 1 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 PRO 62.280 7.821 1 1 [+]
1 59 LYS 8.456 8.321 1 1 [+]
1 60 ASN 18.368 5.449 1 1 [+]
1 61 TYR 24.168 5.482 1 1 [+]
1 62 ILE 0.184 0.080 1 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 MET 0.042 0.029 1 0 "[ ]"
1 65 LYS 0.000 0.000 . 0 "[ ]"
1 66 PRO 0.013 0.013 1 0 "[ ]"
2 2 VAL 124.510 12.146 1 1 [+]
2 3 PRO 125.616 10.749 1 1 [+]
2 4 PRO 13.432 7.255 1 1 [+]
2 5 PRO 45.741 8.542 1 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 25 GLU H 1 25 GLU HA 2.900 . 3.800 2.975 2.975 2.975 . 0 0 "[ ]" 3
2 1 25 GLU H 1 25 GLU QB 2.200 . 2.900 2.256 2.256 2.256 . 0 0 "[ ]" 3
3 1 25 GLU H 1 25 GLU HB3 2.900 . 3.800 3.572 3.572 3.572 . 0 0 "[ ]" 3
4 1 25 GLU H 1 25 GLU HB2 2.800 . 3.600 2.280 2.280 2.280 . 0 0 "[ ]" 3
5 1 25 GLU HA 1 26 LEU H 2.400 . 3.100 2.137 2.137 2.137 . 0 0 "[ ]" 3
6 1 25 GLU QB 1 26 LEU H 2.700 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 3
7 1 25 GLU HB3 1 26 LEU H 2.800 . 3.600 2.700 2.700 2.700 . 0 0 "[ ]" 3
8 1 25 GLU HB2 1 26 LEU H 3.000 . 3.900 3.908 3.908 3.908 0.008 1 0 "[ ]" 3
9 1 25 GLU QG 1 26 LEU H 2.600 . 3.400 3.446 3.446 3.446 0.046 1 0 "[ ]" 3
10 1 25 GLU QG 1 45 TRP HZ3 3.200 . 4.200 2.721 2.721 2.721 . 0 0 "[ ]" 3
11 1 25 GLU HA 1 55 GLY QA 3.100 . 4.000 3.000 3.000 3.000 . 0 0 "[ ]" 3
12 1 25 GLU HA 1 56 PHE HA 5.000 . 6.000 4.292 4.292 4.292 . 0 0 "[ ]" 3
13 1 25 GLU HA 1 56 PHE HB2 2.800 . 3.600 2.731 2.731 2.731 . 0 0 "[ ]" 3
14 1 25 GLU HA 1 56 PHE HB3 3.200 . 4.200 4.227 4.227 4.227 0.027 1 0 "[ ]" 3
15 1 25 GLU HA 1 56 PHE H 2.400 . 3.100 2.172 2.172 2.172 . 0 0 "[ ]" 3
16 1 25 GLU QG 1 56 PHE HB3 3.300 . 4.400 2.908 2.908 2.908 . 0 0 "[ ]" 3
17 1 25 GLU QG 1 56 PHE H 3.600 . 4.700 3.390 3.390 3.390 . 0 0 "[ ]" 3
18 1 25 GLU H 1 56 PHE H 3.500 . 4.600 4.366 4.366 4.366 . 0 0 "[ ]" 3
19 1 26 LEU HA 1 26 LEU QB 2.300 . 3.000 2.139 2.139 2.139 . 0 0 "[ ]" 3
20 1 26 LEU HA 1 26 LEU HG 2.400 . 4.100 3.740 3.740 3.740 . 0 0 "[ ]" 3
21 1 26 LEU QB 1 26 LEU QD 2.500 . 3.300 1.929 1.929 1.929 . 0 0 "[ ]" 3
22 1 26 LEU QB 1 26 LEU HG 2.100 . 2.700 2.495 2.495 2.495 . 0 0 "[ ]" 3
23 1 26 LEU QD 1 26 LEU HG 2.100 . 2.700 1.925 1.925 1.925 . 0 0 "[ ]" 3
24 1 26 LEU H 1 26 LEU HG 2.900 . 4.800 2.585 2.585 2.585 . 0 0 "[ ]" 3
25 1 26 LEU HA 1 27 SER HB2 2.600 . 4.400 4.480 4.480 4.480 0.080 1 0 "[ ]" 3
26 1 26 LEU HA 1 27 SER H 2.000 . 2.600 2.098 2.098 2.098 . 0 0 "[ ]" 3
27 1 26 LEU HB3 1 27 SER H 3.000 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 3
28 1 26 LEU HB2 1 27 SER H 2.800 . 3.800 2.374 2.374 2.374 . 0 0 "[ ]" 3
29 1 26 LEU QD 1 27 SER H 2.700 . 3.500 3.085 3.085 3.085 . 0 0 "[ ]" 3
30 1 26 LEU QD 1 34 LEU QD 3.400 . 4.400 3.714 3.714 3.714 . 0 0 "[ ]" 3
31 1 26 LEU MD1 1 49 GLU HA 3.300 . 4.400 4.131 4.131 4.131 . 0 0 "[ ]" 3
32 1 26 LEU MD2 1 49 GLU HA 3.300 . 4.400 3.206 3.206 3.206 . 0 0 "[ ]" 3
33 1 26 LEU MD2 1 48 ALA H 3.500 . 4.600 4.632 4.632 4.632 0.032 1 0 "[ ]" 3
34 1 26 LEU MD1 1 50 LEU H 3.200 . 4.200 3.349 3.349 3.349 . 0 0 "[ ]" 3
35 1 26 LEU MD2 1 50 LEU H 3.200 . 4.200 2.917 2.917 2.917 . 0 0 "[ ]" 3
36 1 26 LEU QD 1 50 LEU HB3 3.200 . 4.200 2.686 2.686 2.686 . 0 0 "[ ]" 3
37 1 26 LEU QD 1 50 LEU HB2 3.200 . 4.200 1.937 1.937 1.937 . 0 0 "[ ]" 3
38 1 26 LEU QD 1 53 LYS HB3 2.700 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 3
39 1 26 LEU QD 1 53 LYS HB2 2.600 . 3.300 2.301 2.301 2.301 . 0 0 "[ ]" 3
40 1 26 LEU MD1 1 53 LYS H 3.500 . 4.600 4.700 4.700 4.700 0.100 1 0 "[ ]" 3
41 1 26 LEU MD2 1 53 LYS H 3.500 . 4.600 3.700 3.700 3.700 . 0 0 "[ ]" 3
42 1 26 LEU QD 1 54 ASP H 3.700 . 4.800 2.847 2.847 2.847 . 0 0 "[ ]" 3
43 1 26 LEU HG 1 55 GLY QA 3.000 . 3.900 2.744 2.744 2.744 . 0 0 "[ ]" 3
44 1 26 LEU MD2 1 55 GLY H 3.200 . 4.300 2.349 2.349 2.349 . 0 0 "[ ]" 3
45 1 26 LEU MD1 1 55 GLY H 3.200 . 4.300 4.089 4.089 4.089 . 0 0 "[ ]" 3
46 1 26 LEU H 1 55 GLY HA2 3.600 . 4.700 4.754 4.754 4.754 0.054 1 0 "[ ]" 3
47 1 26 LEU H 1 55 GLY HA3 3.200 . 4.300 3.218 3.218 3.218 . 0 0 "[ ]" 3
48 1 26 LEU H 1 56 PHE H 2.900 . 3.800 3.610 3.610 3.610 . 0 0 "[ ]" 3
49 1 26 LEU QD 1 57 ILE MG 2.500 . 3.300 2.857 2.857 2.857 . 0 0 "[ ]" 3
50 1 26 LEU H 1 57 ILE MG 2.700 . 3.500 3.232 3.232 3.232 . 0 0 "[ ]" 3
51 1 27 SER HA 1 27 SER HB3 2.500 . 3.300 2.537 2.537 2.537 . 0 0 "[ ]" 3
52 1 27 SER H 1 27 SER HB3 3.000 . 3.900 3.523 3.523 3.523 . 0 0 "[ ]" 3
53 1 27 SER H 1 27 SER HB2 2.600 . 3.400 2.432 2.432 2.432 . 0 0 "[ ]" 3
54 1 27 SER HA 1 28 PHE H 2.100 . 2.700 2.087 2.087 2.087 . 0 0 "[ ]" 3
55 1 27 SER HB3 1 28 PHE H 2.800 . 3.600 2.507 2.507 2.507 . 0 0 "[ ]" 3
56 1 27 SER HB2 1 28 PHE H 2.900 . 4.800 3.564 3.564 3.564 . 0 0 "[ ]" 3
57 1 27 SER H 1 28 PHE H 3.400 . 5.400 4.449 4.449 4.449 . 0 0 "[ ]" 3
58 1 28 PHE HA 1 28 PHE QB 2.400 . 3.100 2.205 2.205 2.205 . 0 0 "[ ]" 3
59 1 28 PHE HA 1 28 PHE QD 3.000 . 3.900 3.784 3.784 3.784 . 0 0 "[ ]" 3
60 1 28 PHE QB 1 28 PHE QD 2.200 . 2.900 2.167 2.167 2.167 . 0 0 "[ ]" 3
61 1 28 PHE H 1 28 PHE HA 2.700 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 3
62 1 28 PHE H 1 28 PHE QB 2.900 . 3.800 3.350 3.350 3.350 . 0 0 "[ ]" 3
63 1 28 PHE H 1 28 PHE QD 2.700 . 3.500 3.289 3.289 3.289 . 0 0 "[ ]" 3
64 1 28 PHE H 1 28 PHE QE 3.500 . 4.600 4.618 4.618 4.618 0.018 1 0 "[ ]" 3
65 1 28 PHE HA 1 29 LYS H 2.300 . 3.000 2.199 2.199 2.199 . 0 0 "[ ]" 3
66 1 28 PHE QB 1 29 LYS H 2.500 . 3.300 2.532 2.532 2.532 . 0 0 "[ ]" 3
67 1 28 PHE QD 1 29 LYS H 3.000 . 3.900 3.803 3.803 3.803 . 0 0 "[ ]" 3
68 1 28 PHE H 1 29 LYS H 3.400 . 4.400 4.289 4.289 4.289 . 0 0 "[ ]" 3
69 1 28 PHE HA 1 32 ASP HB3 3.900 . 5.100 4.706 4.706 4.706 . 0 0 "[ ]" 3
70 1 28 PHE HA 1 32 ASP HB2 3.400 . 4.400 4.020 4.020 4.020 . 0 0 "[ ]" 3
71 1 28 PHE QB 1 32 ASP HB3 3.100 . 4.000 3.445 3.445 3.445 . 0 0 "[ ]" 3
72 1 28 PHE QB 1 32 ASP HB2 2.100 . 2.700 2.204 2.204 2.204 . 0 0 "[ ]" 3
73 1 28 PHE QB 1 32 ASP H 2.700 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 3
74 1 28 PHE QD 1 32 ASP HB2 3.900 . 5.100 3.967 3.967 3.967 . 0 0 "[ ]" 3
75 1 28 PHE QB 1 34 LEU QD 2.900 . 3.800 2.446 2.446 2.446 . 0 0 "[ ]" 3
76 1 28 PHE QD 1 34 LEU QD 3.400 . 4.400 3.327 3.327 3.327 . 0 0 "[ ]" 3
77 1 28 PHE QE 1 34 LEU QD 3.500 . 4.600 3.861 3.861 3.861 . 0 0 "[ ]" 3
78 1 28 PHE HA 1 50 LEU MD1 2.400 . 3.100 2.757 2.757 2.757 . 0 0 "[ ]" 3
79 1 28 PHE QB 1 50 LEU MD1 2.400 . 3.100 1.845 1.845 1.845 . 0 0 "[ ]" 3
80 1 28 PHE QD 1 57 ILE HB 2.700 . 4.500 3.868 3.868 3.868 . 0 0 "[ ]" 3
81 1 28 PHE QD 1 57 ILE MG 3.700 . 4.800 2.499 2.499 2.499 . 0 0 "[ ]" 3
82 1 28 PHE QE 1 57 ILE HA 3.100 . 4.000 2.952 2.952 2.952 . 0 0 "[ ]" 3
83 1 28 PHE QE 1 57 ILE HB 2.300 . 3.000 2.184 2.184 2.184 . 0 0 "[ ]" 3
84 1 28 PHE QE 1 57 ILE MD 3.000 . 3.900 3.704 3.704 3.704 . 0 0 "[ ]" 3
85 1 28 PHE QE 1 57 ILE MG 3.000 . 3.900 2.224 2.224 2.224 . 0 0 "[ ]" 3
86 1 28 PHE QE 1 58 PRO QD 2.700 . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 3
87 1 28 PHE HZ 1 58 PRO QD 3.200 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 3
88 1 28 PHE HZ 1 58 PRO QG 4.000 . 4.300 3.244 3.244 3.244 . 0 0 "[ ]" 3
89 1 28 PHE QE 1 61 TYR QB 2.900 . 3.800 2.272 2.272 2.272 . 0 0 "[ ]" 3
90 1 28 PHE HZ 1 61 TYR QB 2.600 . 3.400 2.115 2.115 2.115 . 0 0 "[ ]" 3
91 1 28 PHE QE 1 62 ILE MG 3.300 . 4.300 3.498 3.498 3.498 . 0 0 "[ ]" 3
92 1 29 LYS HA 1 29 LYS QB 2.100 . 2.700 2.435 2.435 2.435 . 0 0 "[ ]" 3
93 1 29 LYS HA 1 29 LYS QD 3.900 . 5.100 4.235 4.235 4.235 . 0 0 "[ ]" 3
94 1 29 LYS HA 1 29 LYS QG 2.200 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 3
95 1 29 LYS QB 1 29 LYS QG 2.000 . 2.600 2.130 2.130 2.130 . 0 0 "[ ]" 3
96 1 29 LYS QD 1 29 LYS QG 2.000 . 2.600 2.039 2.039 2.039 . 0 0 "[ ]" 3
97 1 29 LYS QE 1 29 LYS QG 2.600 . 3.400 2.327 2.327 2.327 . 0 0 "[ ]" 3
98 1 29 LYS H 1 29 LYS HA 2.900 . 3.800 2.979 2.979 2.979 . 0 0 "[ ]" 3
99 1 29 LYS H 1 29 LYS QB 2.600 . 3.400 2.405 2.405 2.405 . 0 0 "[ ]" 3
100 1 29 LYS H 1 29 LYS QD 3.300 . 4.300 4.305 4.305 4.305 0.005 1 0 "[ ]" 3
101 1 29 LYS H 1 29 LYS QG 3.300 . 4.300 2.745 2.745 2.745 . 0 0 "[ ]" 3
102 1 29 LYS HA 1 30 ARG H 2.200 . 2.900 2.105 2.105 2.105 . 0 0 "[ ]" 3
103 1 29 LYS QB 1 30 ARG H 2.600 . 3.400 3.008 3.008 3.008 . 0 0 "[ ]" 3
104 1 29 LYS QG 1 30 ARG H 3.700 . 4.800 4.054 4.054 4.054 . 0 0 "[ ]" 3
105 1 29 LYS H 1 30 ARG H 3.400 . 4.400 4.383 4.383 4.383 . 0 0 "[ ]" 3
106 1 29 LYS H 1 32 ASP HB3 3.400 . 4.400 4.296 4.296 4.296 . 0 0 "[ ]" 3
107 1 29 LYS H 1 32 ASP HB2 2.900 . 3.800 3.414 3.414 3.414 . 0 0 "[ ]" 3
108 1 29 LYS H 1 32 ASP H 3.300 . 4.300 3.813 3.813 3.813 . 0 0 "[ ]" 3
109 1 29 LYS QE 1 50 LEU QD 3.400 . 4.400 4.187 4.187 4.187 . 0 0 "[ ]" 3
110 1 29 LYS H 1 50 LEU QD 3.900 . 5.100 3.680 3.680 3.680 . 0 0 "[ ]" 3
111 1 30 ARG HA 1 30 ARG QB 2.200 . 2.900 2.401 2.401 2.401 . 0 0 "[ ]" 3
112 1 30 ARG HA 1 30 ARG QG 2.300 . 3.000 2.356 2.356 2.356 . 0 0 "[ ]" 3
113 1 30 ARG QB 1 30 ARG QD 2.800 . 3.600 2.220 2.220 2.220 . 0 0 "[ ]" 3
114 1 30 ARG QD 1 30 ARG QG 2.100 . 2.700 2.131 2.131 2.131 . 0 0 "[ ]" 3
115 1 30 ARG H 1 30 ARG HA 2.600 . 3.400 2.696 2.696 2.696 . 0 0 "[ ]" 3
116 1 30 ARG H 1 30 ARG QB 2.500 . 3.300 2.190 2.190 2.190 . 0 0 "[ ]" 3
117 1 30 ARG H 1 30 ARG QD 3.700 . 4.800 4.600 4.600 4.600 . 0 0 "[ ]" 3
118 1 30 ARG H 1 30 ARG QG 3.100 . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 3
119 1 30 ARG HA 1 31 GLY H 2.000 . 2.600 2.156 2.156 2.156 . 0 0 "[ ]" 3
120 1 30 ARG QB 1 31 GLY H 3.500 . 4.600 4.006 4.006 4.006 . 0 0 "[ ]" 3
121 1 30 ARG QD 1 31 GLY H 3.600 . 4.700 4.191 4.191 4.191 . 0 0 "[ ]" 3
122 1 30 ARG QG 1 31 GLY H 2.700 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 3
123 1 30 ARG H 1 31 GLY H 3.400 . 4.400 4.193 4.193 4.193 . 0 0 "[ ]" 3
124 1 30 ARG HA 1 32 ASP H 3.100 . 4.000 3.960 3.960 3.960 . 0 0 "[ ]" 3
125 1 31 GLY H 1 31 GLY QA 2.500 . 3.300 2.372 2.372 2.372 . 0 0 "[ ]" 3
126 1 31 GLY QA 1 32 ASP H 3.100 . 4.000 3.113 3.113 3.113 . 0 0 "[ ]" 3
127 1 31 GLY H 1 32 ASP HA 3.700 . 4.800 4.821 4.821 4.821 0.021 1 0 "[ ]" 3
128 1 31 GLY H 1 32 ASP H 2.700 . 3.500 2.233 2.233 2.233 . 0 0 "[ ]" 3
129 1 32 ASP HA 1 32 ASP HB3 2.000 . 2.600 2.510 2.510 2.510 . 0 0 "[ ]" 3
130 1 32 ASP HA 1 32 ASP HB2 2.500 . 3.300 3.105 3.105 3.105 . 0 0 "[ ]" 3
131 1 32 ASP H 1 32 ASP HA 2.400 . 4.100 2.855 2.855 2.855 . 0 0 "[ ]" 3
132 1 32 ASP H 1 32 ASP HB3 2.700 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 3
133 1 32 ASP H 1 32 ASP HB2 2.400 . 3.100 2.466 2.466 2.466 . 0 0 "[ ]" 3
134 1 32 ASP HA 1 33 ILE H 2.000 . 2.600 2.158 2.158 2.158 . 0 0 "[ ]" 3
135 1 32 ASP HB3 1 33 ILE H 2.800 . 3.600 2.583 2.583 2.583 . 0 0 "[ ]" 3
136 1 32 ASP HB2 1 33 ILE H 3.300 . 4.300 3.859 3.859 3.859 . 0 0 "[ ]" 3
137 1 32 ASP HB3 1 34 LEU MD1 2.500 . 3.500 2.329 2.329 2.329 . 0 0 "[ ]" 3
138 1 32 ASP HB3 1 34 LEU MD2 3.200 . 4.200 4.300 4.300 4.300 0.100 1 0 "[ ]" 3
139 1 32 ASP HB3 1 50 LEU MD2 3.000 . 3.900 1.922 1.922 1.922 . 0 0 "[ ]" 3
140 1 33 ILE HA 1 33 ILE HB 3.000 . 3.900 3.045 3.045 3.045 . 0 0 "[ ]" 3
141 1 33 ILE HA 1 33 ILE MG 2.700 . 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 3
142 1 33 ILE HB 1 33 ILE QG 2.000 . 2.600 2.373 2.373 2.373 . 0 0 "[ ]" 3
143 1 33 ILE MD 1 33 ILE QG 2.200 . 2.900 1.929 1.929 1.929 . 0 0 "[ ]" 3
144 1 33 ILE QG 1 33 ILE MG 2.300 . 3.000 2.413 2.413 2.413 . 0 0 "[ ]" 3
145 1 33 ILE H 1 33 ILE HB 2.300 . 3.000 2.594 2.594 2.594 . 0 0 "[ ]" 3
146 1 33 ILE H 1 33 ILE QG 2.500 . 3.300 2.590 2.590 2.590 . 0 0 "[ ]" 3
147 1 33 ILE HA 1 34 LEU H 2.100 . 2.700 2.035 2.035 2.035 . 0 0 "[ ]" 3
148 1 33 ILE H 1 50 LEU MD2 3.200 . 4.200 3.353 3.353 3.353 . 0 0 "[ ]" 3
149 1 34 LEU HA 1 34 LEU QB 2.400 . 3.100 2.562 2.562 2.562 . 0 0 "[ ]" 3
150 1 34 LEU HA 1 34 LEU QD 2.600 . 3.400 2.150 2.150 2.150 . 0 0 "[ ]" 3
151 1 34 LEU QB 1 34 LEU QD 2.200 . 2.900 2.055 2.055 2.055 . 0 0 "[ ]" 3
152 1 34 LEU H 1 34 LEU HA 2.700 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 3
153 1 34 LEU H 1 34 LEU QB 2.500 . 3.300 1.896 1.896 1.896 . 0 0 "[ ]" 3
154 1 34 LEU H 1 34 LEU QD 2.900 . 3.800 2.460 2.460 2.460 . 0 0 "[ ]" 3
155 1 34 LEU H 1 34 LEU HG 3.100 . 4.000 4.069 4.069 4.069 0.069 1 0 "[ ]" 3
156 1 34 LEU HA 1 35 LYS H 2.000 . 2.600 2.232 2.232 2.232 . 0 0 "[ ]" 3
157 1 34 LEU QB 1 35 LYS H 2.800 . 3.600 2.626 2.626 2.626 . 0 0 "[ ]" 3
158 1 34 LEU QD 1 35 LYS H 3.000 . 3.900 3.777 3.777 3.777 . 0 0 "[ ]" 3
159 1 34 LEU HG 1 35 LYS H 2.900 . 3.800 3.826 3.826 3.826 0.026 1 0 "[ ]" 3
160 1 34 LEU H 1 35 LYS H 3.300 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 3
161 1 34 LEU QB 1 36 VAL QG 2.300 . 3.000 3.072 3.072 3.072 0.072 1 0 "[ ]" 3
162 1 34 LEU MD1 1 50 LEU HG 3.000 . 3.900 1.921 1.921 1.921 . 0 0 "[ ]" 3
163 1 34 LEU QD 1 50 LEU QB 3.000 . 3.900 3.441 3.441 3.441 . 0 0 "[ ]" 3
164 1 34 LEU QD 1 50 LEU QD 2.700 . 3.500 1.755 1.755 1.755 0.045 1 0 "[ ]" 3
165 1 34 LEU QD 1 57 ILE MD 2.300 . 3.000 1.971 1.971 1.971 . 0 0 "[ ]" 3
166 1 34 LEU QD 1 57 ILE MG 2.800 . 3.600 3.206 3.206 3.206 . 0 0 "[ ]" 3
167 1 34 LEU QD 1 62 ILE HB 3.400 . 4.400 3.065 3.065 3.065 . 0 0 "[ ]" 3
168 1 34 LEU QD 1 62 ILE MD . . 2.600 2.135 2.135 2.135 . 0 0 "[ ]" 3
169 1 34 LEU QD 1 62 ILE QG 2.800 . 3.600 3.680 3.680 3.680 0.080 1 0 "[ ]" 3
170 1 35 LYS QD 1 35 LYS QG 2.000 . 2.600 2.088 2.088 2.088 . 0 0 "[ ]" 3
171 1 35 LYS H 1 35 LYS QB 2.300 . 3.000 2.694 2.694 2.694 . 0 0 "[ ]" 3
172 1 35 LYS HA 1 36 VAL H 2.100 . 2.700 2.040 2.040 2.040 . 0 0 "[ ]" 3
173 1 35 LYS QE 1 36 VAL H 3.500 . 4.600 4.633 4.633 4.633 0.033 1 0 "[ ]" 3
174 1 35 LYS QG 1 36 VAL H 3.400 . 4.400 2.951 2.951 2.951 . 0 0 "[ ]" 3
175 1 35 LYS H 1 36 VAL H 3.400 . 4.400 4.193 4.193 4.193 . 0 0 "[ ]" 3
176 1 35 LYS H 1 48 ALA HA 3.600 . 4.700 4.238 4.238 4.238 . 0 0 "[ ]" 3
177 1 35 LYS HA 1 49 GLU H 3.100 . 4.000 4.105 4.105 4.105 0.105 1 0 "[ ]" 3
178 1 35 LYS H 1 49 GLU H 2.700 . 3.500 1.964 1.964 1.964 . 0 0 "[ ]" 3
179 1 35 LYS H 1 50 LEU QD 3.400 . 4.400 4.452 4.452 4.452 0.052 1 0 "[ ]" 3
180 1 36 VAL HA 1 36 VAL HB 2.800 . 3.600 3.012 3.012 3.012 . 0 0 "[ ]" 3
181 1 36 VAL HA 1 36 VAL QG 2.100 . 2.700 2.186 2.186 2.186 . 0 0 "[ ]" 3
182 1 36 VAL HB 1 36 VAL QG 2.000 . 2.600 1.927 1.927 1.927 . 0 0 "[ ]" 3
183 1 36 VAL H 1 36 VAL HA 2.800 . 3.600 2.942 2.942 2.942 . 0 0 "[ ]" 3
184 1 36 VAL H 1 36 VAL HB 2.300 . 3.000 2.441 2.441 2.441 . 0 0 "[ ]" 3
185 1 36 VAL H 1 36 VAL QG 2.500 . 3.300 2.208 2.208 2.208 . 0 0 "[ ]" 3
186 1 36 VAL HA 1 37 LEU H 2.100 . 2.700 1.974 1.974 1.974 . 0 0 "[ ]" 3
187 1 36 VAL QG 1 37 LEU H 2.700 . 3.500 3.100 3.100 3.100 . 0 0 "[ ]" 3
188 1 36 VAL QG 1 46 TYR HB3 2.800 . 3.600 2.471 2.471 2.471 . 0 0 "[ ]" 3
189 1 36 VAL QG 1 46 TYR HB2 3.300 . 4.300 3.605 3.605 3.605 . 0 0 "[ ]" 3
190 1 36 VAL QG 1 46 TYR QD 3.000 . 3.900 3.146 3.146 3.146 . 0 0 "[ ]" 3
191 1 36 VAL HA 1 48 ALA HA 2.300 . 3.000 2.132 2.132 2.132 . 0 0 "[ ]" 3
192 1 36 VAL HA 1 49 GLU H 3.100 . 4.000 3.815 3.815 3.815 . 0 0 "[ ]" 3
193 1 37 LEU QB 1 48 ALA HA 2.500 . 3.300 3.349 3.349 3.349 0.049 1 0 "[ ]" 3
194 1 37 LEU H 1 48 ALA HA 2.600 . 3.400 2.341 2.341 2.341 . 0 0 "[ ]" 3
195 1 37 LEU QB 1 49 GLU QB 2.800 . 3.600 3.448 3.448 3.448 . 0 0 "[ ]" 3
196 1 38 ASN HA 1 38 ASN QB 2.500 . 3.300 2.525 2.525 2.525 . 0 0 "[ ]" 3
197 1 38 ASN QB 1 38 ASN QD 2.900 . 3.800 2.193 2.193 2.193 . 0 0 "[ ]" 3
198 1 38 ASN QB 1 47 LYS QB 3.000 . 3.900 2.221 2.221 2.221 . 0 0 "[ ]" 3
199 1 39 GLU HA 1 39 GLU QB 2.100 . 2.700 2.198 2.198 2.198 . 0 0 "[ ]" 3
200 1 39 GLU HA 1 40 GLU H 2.300 . 3.000 2.128 2.128 2.128 . 0 0 "[ ]" 3
201 1 39 GLU QB 1 40 GLU H 3.400 . 4.400 3.474 3.474 3.474 . 0 0 "[ ]" 3
202 1 39 GLU HA 1 46 TYR HA 3.100 . 4.000 3.706 3.706 3.706 . 0 0 "[ ]" 3
203 1 39 GLU HA 1 46 TYR QD 3.000 . 3.900 3.810 3.810 3.810 . 0 0 "[ ]" 3
204 1 39 GLU QB 1 46 TYR QE 2.400 . 3.100 2.915 2.915 2.915 . 0 0 "[ ]" 3
205 1 40 GLU HA 1 40 GLU QB 2.500 . 3.300 2.212 2.212 2.212 . 0 0 "[ ]" 3
206 1 40 GLU HA 1 40 GLU QG 2.400 . 3.100 3.269 3.269 3.269 0.169 1 0 "[ ]" 3
207 1 40 GLU H 1 40 GLU QB 2.600 . 3.400 3.366 3.366 3.366 . 0 0 "[ ]" 3
208 1 40 GLU H 1 40 GLU QG 2.800 . 3.600 2.488 2.488 2.488 . 0 0 "[ ]" 3
209 1 40 GLU HA 1 41 CYS H 2.100 . 2.700 2.753 2.753 2.753 0.053 1 0 "[ ]" 3
210 1 40 GLU QB 1 41 CYS H 3.200 . 4.200 4.020 4.020 4.020 . 0 0 "[ ]" 3
211 1 40 GLU QG 1 41 CYS H 3.000 . 3.900 3.665 3.665 3.665 . 0 0 "[ ]" 3
212 1 40 GLU H 1 41 CYS H 2.800 . 3.600 2.018 2.018 2.018 . 0 0 "[ ]" 3
213 1 40 GLU H 1 42 ASP H 3.100 . 4.000 4.019 4.019 4.019 0.019 1 0 "[ ]" 3
214 1 41 CYS H 1 41 CYS QB 3.200 . 4.200 2.970 2.970 2.970 . 0 0 "[ ]" 3
215 1 41 CYS H 1 42 ASP H 2.500 . 3.300 2.946 2.946 2.946 . 0 0 "[ ]" 3
216 1 42 ASP HA 1 42 ASP HB3 2.800 . 3.600 2.439 2.439 2.439 . 0 0 "[ ]" 3
217 1 42 ASP HA 1 42 ASP HB2 2.400 . 3.100 3.067 3.067 3.067 . 0 0 "[ ]" 3
218 1 42 ASP H 1 42 ASP HB3 3.100 . 4.000 3.667 3.667 3.667 . 0 0 "[ ]" 3
219 1 42 ASP H 1 42 ASP HB2 2.800 . 3.600 2.583 2.583 2.583 . 0 0 "[ ]" 3
220 1 42 ASP HA 1 43 GLN H 2.000 . 2.600 2.016 2.016 2.016 . 0 0 "[ ]" 3
221 1 42 ASP HB3 1 43 GLN H 3.200 . 4.200 3.014 3.014 3.014 . 0 0 "[ ]" 3
222 1 42 ASP HB2 1 43 GLN H 3.200 . 4.200 4.032 4.032 4.032 . 0 0 "[ ]" 3
223 1 42 ASP HB2 1 45 TRP HD1 3.100 . 4.000 3.286 3.286 3.286 . 0 0 "[ ]" 3
224 1 43 GLN HA 1 43 GLN QB 2.300 . 3.000 2.415 2.415 2.415 . 0 0 "[ ]" 3
225 1 43 GLN HA 1 43 GLN QG 2.700 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 3
226 1 43 GLN QB 1 43 GLN QG 2.000 . 2.600 2.147 2.147 2.147 . 0 0 "[ ]" 3
227 1 43 GLN H 1 43 GLN HA 2.600 . 3.400 2.987 2.987 2.987 . 0 0 "[ ]" 3
228 1 43 GLN H 1 43 GLN QB 2.100 . 2.700 2.473 2.473 2.473 . 0 0 "[ ]" 3
229 1 43 GLN H 1 43 GLN QG 2.800 . 3.600 2.796 2.796 2.796 . 0 0 "[ ]" 3
230 1 43 GLN HA 1 44 ASN H 2.600 . 3.400 2.419 2.419 2.419 . 0 0 "[ ]" 3
231 1 43 GLN QB 1 44 ASN H 2.900 . 3.800 3.836 3.836 3.836 0.036 1 0 "[ ]" 3
232 1 43 GLN QG 1 44 ASN H 3.400 . 4.400 4.402 4.402 4.402 0.002 1 0 "[ ]" 3
233 1 43 GLN H 1 44 ASN H 3.000 . 3.900 3.148 3.148 3.148 . 0 0 "[ ]" 3
234 1 43 GLN HA 1 45 TRP H 3.700 . 4.800 3.970 3.970 3.970 . 0 0 "[ ]" 3
235 1 43 GLN H 1 45 TRP HD1 3.900 . 5.100 5.111 5.111 5.111 0.011 1 0 "[ ]" 3
236 1 43 GLN H 1 45 TRP H 3.900 . 5.100 4.088 4.088 4.088 . 0 0 "[ ]" 3
237 1 44 ASN HA 1 44 ASN QB 2.600 . 3.400 2.518 2.518 2.518 . 0 0 "[ ]" 3
238 1 44 ASN QB 1 44 ASN QD 2.700 . 3.300 2.076 2.076 2.076 . 0 0 "[ ]" 3
239 1 44 ASN H 1 44 ASN HA 2.600 . 3.400 2.803 2.803 2.803 . 0 0 "[ ]" 3
240 1 44 ASN H 1 44 ASN QB 3.000 . 3.600 2.955 2.955 2.955 . 0 0 "[ ]" 3
241 1 44 ASN H 1 44 ASN QD 5.000 . 6.500 4.677 4.677 4.677 . 0 0 "[ ]" 3
242 1 44 ASN QB 1 45 TRP HD1 2.700 . 3.400 2.194 2.194 2.194 . 0 0 "[ ]" 3
243 1 44 ASN QB 1 45 TRP H 2.900 . 3.800 3.024 3.024 3.024 . 0 0 "[ ]" 3
244 1 44 ASN QB 1 45 TRP HE1 3.400 . 4.400 2.570 2.570 2.570 . 0 0 "[ ]" 3
245 1 44 ASN H 1 45 TRP HD1 3.200 . 4.200 4.105 4.105 4.105 . 0 0 "[ ]" 3
246 1 44 ASN H 1 45 TRP H 2.500 . 3.300 1.771 1.771 1.771 0.029 1 0 "[ ]" 3
247 1 44 ASN H 1 59 LYS H 3.500 . 4.600 4.694 4.694 4.694 0.094 1 0 "[ ]" 3
248 1 44 ASN QB 2 3 PRO QB 3.100 . 3.500 11.416 11.416 11.416 7.916 1 1 [+] 3
249 1 44 ASN QB 2 3 PRO QG 2.800 . 3.600 13.130 13.130 13.130 9.530 1 1 [+] 3
250 1 44 ASN QD 2 3 PRO QB 3.000 . 3.800 12.469 12.469 12.469 8.669 1 1 [+] 3
251 1 44 ASN QD 2 4 PRO QD 3.300 . 4.300 11.555 11.555 11.555 7.255 1 1 [+] 3
252 1 45 TRP HA 1 45 TRP HB3 2.500 . 3.300 2.497 2.497 2.497 . 0 0 "[ ]" 3
253 1 45 TRP HA 1 45 TRP HB2 2.800 . 3.600 3.041 3.041 3.041 . 0 0 "[ ]" 3
254 1 45 TRP HA 1 45 TRP HE3 3.200 . 4.200 3.310 3.310 3.310 . 0 0 "[ ]" 3
255 1 45 TRP HB3 1 45 TRP HD1 3.300 . 4.300 3.961 3.961 3.961 . 0 0 "[ ]" 3
256 1 45 TRP HB3 1 45 TRP HZ3 4.000 . 5.200 4.911 4.911 4.911 . 0 0 "[ ]" 3
257 1 45 TRP HB2 1 45 TRP HD1 2.700 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 3
258 1 45 TRP H 1 45 TRP HA 3.000 . 3.900 2.969 2.969 2.969 . 0 0 "[ ]" 3
259 1 45 TRP H 1 45 TRP HB3 3.100 . 4.000 3.837 3.837 3.837 . 0 0 "[ ]" 3
260 1 45 TRP H 1 45 TRP HB2 2.700 . 3.500 2.703 2.703 2.703 . 0 0 "[ ]" 3
261 1 45 TRP H 1 45 TRP HD1 2.900 . 3.800 3.040 3.040 3.040 . 0 0 "[ ]" 3
262 1 45 TRP HA 1 46 TYR H 2.200 . 2.900 1.910 1.910 1.910 . 0 0 "[ ]" 3
263 1 45 TRP HB3 1 46 TYR H 2.900 . 3.800 3.218 3.218 3.218 . 0 0 "[ ]" 3
264 1 45 TRP HB2 1 46 TYR H 3.100 . 4.000 4.082 4.082 4.082 0.082 1 0 "[ ]" 3
265 1 45 TRP HB3 1 56 PHE HA 3.600 . 4.700 3.804 3.804 3.804 . 0 0 "[ ]" 3
266 1 45 TRP HB3 1 56 PHE QD 3.000 . 3.900 2.385 2.385 2.385 . 0 0 "[ ]" 3
267 1 45 TRP HE3 1 56 PHE HB3 2.600 . 3.400 2.170 2.170 2.170 . 0 0 "[ ]" 3
268 1 45 TRP HE3 1 56 PHE HB2 2.600 . 3.400 3.410 3.410 3.410 0.010 1 0 "[ ]" 3
269 1 45 TRP HZ3 1 56 PHE HB3 3.300 . 4.300 4.076 4.076 4.076 . 0 0 "[ ]" 3
270 1 45 TRP HB3 1 57 ILE H 3.700 . 4.800 3.442 3.442 3.442 . 0 0 "[ ]" 3
271 1 45 TRP HE3 1 57 ILE HA 2.800 . 3.600 3.330 3.330 3.330 . 0 0 "[ ]" 3
272 1 45 TRP HE3 1 57 ILE H 3.100 . 4.000 2.976 2.976 2.976 . 0 0 "[ ]" 3
273 1 45 TRP HZ3 1 57 ILE HA 2.700 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 3
274 1 45 TRP HZ3 1 57 ILE H 3.900 . 5.100 4.573 4.573 4.573 . 0 0 "[ ]" 3
275 1 45 TRP HA 1 58 PRO HA 2.300 . 3.000 2.831 2.831 2.831 . 0 0 "[ ]" 3
276 1 45 TRP HD1 1 58 PRO HA 3.500 . 5.600 5.211 5.211 5.211 . 0 0 "[ ]" 3
277 1 45 TRP HE3 1 58 PRO QD 2.800 . 4.600 3.617 3.617 3.617 . 0 0 "[ ]" 3
278 1 45 TRP HH2 1 58 PRO QD 3.000 . 3.900 3.546 3.546 3.546 . 0 0 "[ ]" 3
279 1 45 TRP HZ3 1 58 PRO QD 2.500 . 3.300 2.273 2.273 2.273 . 0 0 "[ ]" 3
280 1 45 TRP HZ3 1 58 PRO QG 3.600 . 4.700 3.269 3.269 3.269 . 0 0 "[ ]" 3
281 1 45 TRP HA 1 59 LYS H 2.700 . 3.500 3.420 3.420 3.420 . 0 0 "[ ]" 3
282 1 45 TRP HE1 2 2 VAL QG 3.500 . 4.600 13.707 13.707 13.707 9.107 1 1 [+] 3
283 1 45 TRP HH2 2 2 VAL HB 3.800 . 4.900 16.399 16.399 16.399 11.499 1 1 [+] 3
284 1 45 TRP HH2 2 2 VAL QG 2.500 . 3.300 11.773 11.773 11.773 8.473 1 1 [+] 3
285 1 45 TRP HZ2 2 2 VAL HB 3.600 . 4.700 16.846 16.846 16.846 12.146 1 1 [+] 3
286 1 45 TRP HZ2 2 2 VAL QG 2.300 . 3.000 12.170 12.170 12.170 9.170 1 1 [+] 3
287 1 45 TRP HD1 2 3 PRO QB 3.700 . 4.400 13.646 13.646 13.646 9.246 1 1 [+] 3
288 1 45 TRP HD1 2 3 PRO QG 3.600 . 4.700 15.449 15.449 15.449 10.749 1 1 [+] 3
289 1 45 TRP HE1 2 3 PRO QB 3.200 . 3.800 12.178 12.178 12.178 8.378 1 1 [+] 3
290 1 45 TRP HE1 2 3 PRO QG 3.300 . 4.300 14.021 14.021 14.021 9.721 1 1 [+] 3
291 1 45 TRP HZ2 2 3 PRO QB 3.700 . 4.400 10.309 10.309 10.309 5.909 1 1 [+] 3
292 1 45 TRP HZ2 2 3 PRO QD 3.500 . 4.600 13.042 13.042 13.042 8.442 1 1 [+] 3
293 1 45 TRP HZ2 2 3 PRO QG 3.400 . 4.400 12.049 12.049 12.049 7.649 1 1 [+] 3
294 1 45 TRP HZ2 2 4 PRO HA 3.900 . 5.100 11.236 11.236 11.236 6.136 1 1 [+] 3
295 1 45 TRP HD1 2 5 PRO HA 2.900 . 3.800 12.342 12.342 12.342 8.542 1 1 [+] 3
296 1 45 TRP HE1 2 5 PRO HA 3.000 . 3.900 10.106 10.106 10.106 6.206 1 1 [+] 3
297 1 45 TRP HZ2 2 5 PRO HA 3.700 . 4.800 8.314 8.314 8.314 3.514 1 1 [+] 3
298 1 45 TRP HE3 2 5 PRO QG 1.800 . 5.000 12.411 12.411 12.411 7.411 1 1 [+] 3
299 1 45 TRP HZ2 2 5 PRO QG 1.800 . 4.000 8.854 8.854 8.854 4.854 1 1 [+] 3
300 1 45 TRP HZ2 2 5 PRO QB 1.800 . 4.000 8.172 8.172 8.172 4.172 1 1 [+] 3
301 1 45 TRP HE3 2 5 PRO QB 1.800 . 5.000 12.057 12.057 12.057 7.057 1 1 [+] 3
302 1 45 TRP HH2 2 5 PRO QB 1.800 . 5.000 8.986 8.986 8.986 3.986 1 1 [+] 3
303 1 46 TYR HA 1 46 TYR HB3 2.600 . 3.400 2.576 2.576 2.576 . 0 0 "[ ]" 3
304 1 46 TYR HA 1 46 TYR HB2 2.900 . 3.800 3.092 3.092 3.092 . 0 0 "[ ]" 3
305 1 46 TYR HA 1 46 TYR QD 2.400 . 3.100 2.160 2.160 2.160 . 0 0 "[ ]" 3
306 1 46 TYR HA 1 46 TYR QE 3.300 . 4.300 4.337 4.337 4.337 0.037 1 0 "[ ]" 3
307 1 46 TYR HB3 1 46 TYR QD 2.800 . 3.600 2.728 2.728 2.728 . 0 0 "[ ]" 3
308 1 46 TYR HB2 1 46 TYR QD 2.500 . 3.300 2.284 2.284 2.284 . 0 0 "[ ]" 3
309 1 46 TYR H 1 46 TYR HA 2.400 . 4.100 3.027 3.027 3.027 . 0 0 "[ ]" 3
310 1 46 TYR H 1 46 TYR HB3 3.000 . 3.900 3.755 3.755 3.755 . 0 0 "[ ]" 3
311 1 46 TYR H 1 46 TYR HB2 2.700 . 3.500 2.544 2.544 2.544 . 0 0 "[ ]" 3
312 1 46 TYR H 1 46 TYR QD 3.100 . 4.000 3.570 3.570 3.570 . 0 0 "[ ]" 3
313 1 46 TYR HA 1 47 LYS H 2.200 . 2.900 2.252 2.252 2.252 . 0 0 "[ ]" 3
314 1 46 TYR HB3 1 47 LYS H 2.800 . 3.600 2.920 2.920 2.920 . 0 0 "[ ]" 3
315 1 46 TYR HB2 1 47 LYS H 3.200 . 4.200 4.023 4.023 4.023 . 0 0 "[ ]" 3
316 1 46 TYR QD 1 47 LYS H 3.500 . 4.600 3.674 3.674 3.674 . 0 0 "[ ]" 3
317 1 46 TYR HA 1 56 PHE HA 4.100 . 5.300 5.037 5.037 5.037 . 0 0 "[ ]" 3
318 1 46 TYR H 1 56 PHE HA 3.600 . 4.700 4.141 4.141 4.141 . 0 0 "[ ]" 3
319 1 46 TYR HB3 1 57 ILE QG 3.200 . 4.200 3.303 3.303 3.303 . 0 0 "[ ]" 3
320 1 46 TYR HB2 1 57 ILE QG 2.400 . 3.100 2.069 2.069 2.069 . 0 0 "[ ]" 3
321 1 46 TYR QD 1 57 ILE MD 2.800 . 3.600 3.169 3.169 3.169 . 0 0 "[ ]" 3
322 1 46 TYR H 1 57 ILE QG 3.100 . 4.000 2.984 2.984 2.984 . 0 0 "[ ]" 3
323 1 46 TYR H 1 57 ILE H 2.900 . 3.800 2.682 2.682 2.682 . 0 0 "[ ]" 3
324 1 46 TYR H 1 58 PRO HA 3.200 . 4.200 3.984 3.984 3.984 . 0 0 "[ ]" 3
325 1 46 TYR QD 1 59 LYS HA 3.200 . 4.200 3.071 3.071 3.071 . 0 0 "[ ]" 3
326 1 46 TYR QE 1 59 LYS HA 3.000 . 3.900 2.678 2.678 2.678 . 0 0 "[ ]" 3
327 1 46 TYR H 1 59 LYS H 3.300 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 3
328 1 46 TYR QD 1 62 ILE MD 2.600 . 3.400 2.678 2.678 2.678 . 0 0 "[ ]" 3
329 1 46 TYR QD 1 62 ILE MG 2.500 . 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 3
330 1 46 TYR QE 1 62 ILE MD 2.600 . 3.400 3.274 3.274 3.274 . 0 0 "[ ]" 3
331 1 46 TYR QE 1 62 ILE MG 2.800 . 3.600 3.630 3.630 3.630 0.030 1 0 "[ ]" 3
332 1 47 LYS HA 1 47 LYS HB2 2.300 . 3.000 2.510 2.510 2.510 . 0 0 "[ ]" 3
333 1 47 LYS HA 1 47 LYS QD 3.000 . 3.900 3.918 3.918 3.918 0.018 1 0 "[ ]" 3
334 1 47 LYS HA 1 47 LYS QG 2.600 . 3.400 2.363 2.363 2.363 . 0 0 "[ ]" 3
335 1 47 LYS QB 1 47 LYS QE 2.700 . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 3
336 1 47 LYS QE 1 47 LYS QG 2.500 . 3.300 2.161 2.161 2.161 . 0 0 "[ ]" 3
337 1 47 LYS H 1 47 LYS HB3 2.800 . 3.600 2.584 2.584 2.584 . 0 0 "[ ]" 3
338 1 47 LYS H 1 47 LYS HB2 2.800 . 3.600 2.800 2.800 2.800 . 0 0 "[ ]" 3
339 1 47 LYS HA 1 48 ALA H 2.100 . 2.700 2.243 2.243 2.243 . 0 0 "[ ]" 3
340 1 47 LYS QG 1 48 ALA H 3.000 . 3.900 3.621 3.621 3.621 . 0 0 "[ ]" 3
341 1 47 LYS HA 1 55 GLY H 3.500 . 4.600 3.970 3.970 3.970 . 0 0 "[ ]" 3
342 1 47 LYS HA 1 56 PHE HA 2.500 . 3.300 2.634 2.634 2.634 . 0 0 "[ ]" 3
343 1 47 LYS HA 1 56 PHE QD 3.100 . 4.000 3.742 3.742 3.742 . 0 0 "[ ]" 3
344 1 47 LYS HB2 1 56 PHE QE 3.100 . 4.000 2.774 2.774 2.774 . 0 0 "[ ]" 3
345 1 47 LYS QE 1 56 PHE QE 3.200 . 4.200 3.839 3.839 3.839 . 0 0 "[ ]" 3
346 1 47 LYS QG 1 56 PHE H 3.700 . 4.800 4.209 4.209 4.209 . 0 0 "[ ]" 3
347 1 47 LYS HA 1 57 ILE H 3.100 . 4.000 3.997 3.997 3.997 . 0 0 "[ ]" 3
348 1 48 ALA H 1 48 ALA HA 2.800 . 3.600 2.979 2.979 2.979 . 0 0 "[ ]" 3
349 1 48 ALA HA 1 49 GLU QB 3.100 . 4.000 3.785 3.785 3.785 . 0 0 "[ ]" 3
350 1 48 ALA HA 1 49 GLU H 2.200 . 2.900 2.653 2.653 2.653 . 0 0 "[ ]" 3
351 1 48 ALA H 1 49 GLU H 3.900 . 5.100 4.459 4.459 4.459 . 0 0 "[ ]" 3
352 1 48 ALA H 1 54 ASP HA 3.800 . 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 3
353 1 48 ALA HA 1 55 GLY H 2.900 . 4.800 4.818 4.818 4.818 0.018 1 0 "[ ]" 3
354 1 48 ALA H 1 55 GLY H 2.700 . 3.500 3.236 3.236 3.236 . 0 0 "[ ]" 3
355 1 48 ALA H 1 56 PHE HA 3.200 . 4.200 3.737 3.737 3.737 . 0 0 "[ ]" 3
356 1 49 GLU HA 1 49 GLU QG 2.700 . 3.500 2.530 2.530 2.530 . 0 0 "[ ]" 3
357 1 49 GLU HA 1 50 LEU H 2.100 . 2.700 1.982 1.982 1.982 . 0 0 "[ ]" 3
358 1 49 GLU HA 1 54 ASP HA 2.200 . 2.900 2.310 2.310 2.310 . 0 0 "[ ]" 3
359 1 49 GLU QG 1 54 ASP HA 3.400 . 4.400 3.692 3.692 3.692 . 0 0 "[ ]" 3
360 1 49 GLU H 1 54 ASP HA 3.800 . 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 3
361 1 50 LEU HA 1 50 LEU MD2 2.400 . 3.100 2.194 2.194 2.194 . 0 0 "[ ]" 3
362 1 50 LEU QB 1 50 LEU QD 2.500 . 3.300 1.800 1.800 1.800 0.000 1 0 "[ ]" 3
363 1 50 LEU QB 1 50 LEU HG 2.300 . 3.000 2.217 2.217 2.217 . 0 0 "[ ]" 3
364 1 50 LEU H 1 50 LEU QB 2.900 . 3.800 2.632 2.632 2.632 . 0 0 "[ ]" 3
365 1 50 LEU H 1 50 LEU QD 2.900 . 3.800 3.906 3.906 3.906 0.106 1 0 "[ ]" 3
366 1 50 LEU H 1 50 LEU HG 2.400 . 4.100 3.872 3.872 3.872 . 0 0 "[ ]" 3
367 1 50 LEU HA 1 51 ASN H 2.200 . 2.900 1.988 1.988 1.988 . 0 0 "[ ]" 3
368 1 50 LEU QB 1 51 ASN HB2 2.900 . 4.800 2.244 2.244 2.244 . 0 0 "[ ]" 3
369 1 50 LEU HB3 1 51 ASN HB3 2.600 . 3.400 3.433 3.433 3.433 0.033 1 0 "[ ]" 3
370 1 50 LEU HB3 1 51 ASN HD21 2.600 . 3.400 3.438 3.438 3.438 0.038 1 0 "[ ]" 3
371 1 50 LEU QB 1 51 ASN H 2.800 . 3.600 2.991 2.991 2.991 . 0 0 "[ ]" 3
372 1 50 LEU QD 1 51 ASN HB2 3.400 . 4.400 2.917 2.917 2.917 . 0 0 "[ ]" 3
373 1 50 LEU QD 1 51 ASN HB3 3.100 . 4.000 4.113 4.113 4.113 0.113 1 0 "[ ]" 3
374 1 50 LEU MD2 1 51 ASN HD21 4.400 . 5.400 3.020 3.020 3.020 . 0 0 "[ ]" 3
375 1 50 LEU MD2 1 51 ASN HD22 3.400 . 4.400 4.433 4.433 4.433 0.033 1 0 "[ ]" 3
376 1 50 LEU QD 1 51 ASN H 2.900 . 3.800 2.693 2.693 2.693 . 0 0 "[ ]" 3
377 1 50 LEU HG 1 51 ASN H 4.000 . 5.200 4.455 4.455 4.455 . 0 0 "[ ]" 3
378 1 50 LEU H 1 51 ASN H 3.000 . 4.900 4.198 4.198 4.198 . 0 0 "[ ]" 3
379 1 50 LEU H 1 53 LYS H 2.300 . 4.000 3.231 3.231 3.231 . 0 0 "[ ]" 3
380 1 50 LEU H 1 54 ASP HA 2.900 . 3.100 3.144 3.144 3.144 0.044 1 0 "[ ]" 3
381 1 51 ASN HA 1 51 ASN HB2 2.300 . 3.000 2.781 2.781 2.781 . 0 0 "[ ]" 3
382 1 51 ASN HA 1 51 ASN HB3 2.600 . 3.400 3.071 3.071 3.071 . 0 0 "[ ]" 3
383 1 51 ASN HA 1 51 ASN QD 3.800 . 4.900 3.318 3.318 3.318 . 0 0 "[ ]" 3
384 1 51 ASN HB2 1 51 ASN QD 3.000 . 3.900 1.929 1.929 1.929 . 0 0 "[ ]" 3
385 1 51 ASN HB3 1 51 ASN QD 2.500 . 3.300 3.046 3.046 3.046 . 0 0 "[ ]" 3
386 1 51 ASN H 1 51 ASN HA 2.200 . 2.900 2.244 2.244 2.244 . 0 0 "[ ]" 3
387 1 51 ASN H 1 51 ASN HB2 3.400 . 4.400 2.763 2.763 2.763 . 0 0 "[ ]" 3
388 1 51 ASN H 1 51 ASN HB3 3.300 . 4.300 3.778 3.778 3.778 . 0 0 "[ ]" 3
389 1 51 ASN H 1 51 ASN QD 3.400 . 4.400 3.673 3.673 3.673 . 0 0 "[ ]" 3
390 1 51 ASN HA 1 52 GLY H 2.400 . 3.100 2.757 2.757 2.757 . 0 0 "[ ]" 3
391 1 51 ASN HB2 1 52 GLY H 3.700 . 4.800 4.439 4.439 4.439 . 0 0 "[ ]" 3
392 1 51 ASN HB3 1 52 GLY H 4.200 . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 3
393 1 51 ASN H 1 52 GLY H 2.700 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 3
394 1 51 ASN HA 1 53 LYS H 3.500 . 4.600 4.421 4.421 4.421 . 0 0 "[ ]" 3
395 1 51 ASN HB3 1 53 LYS H 3.600 . 4.700 3.977 3.977 3.977 . 0 0 "[ ]" 3
396 1 51 ASN H 1 53 LYS H 3.700 . 4.800 4.182 4.182 4.182 . 0 0 "[ ]" 3
397 1 52 GLY H 1 52 GLY QA 2.500 . 3.300 2.196 2.196 2.196 . 0 0 "[ ]" 3
398 1 52 GLY QA 1 53 LYS H 3.100 . 4.000 2.999 2.999 2.999 . 0 0 "[ ]" 3
399 1 52 GLY H 1 53 LYS H 2.300 . 3.000 2.706 2.706 2.706 . 0 0 "[ ]" 3
400 1 53 LYS HA 1 53 LYS QB 2.600 . 3.400 2.447 2.447 2.447 . 0 0 "[ ]" 3
401 1 53 LYS H 1 53 LYS HA 2.700 . 3.500 2.915 2.915 2.915 . 0 0 "[ ]" 3
402 1 53 LYS H 1 53 LYS QB 2.700 . 3.500 2.499 2.499 2.499 . 0 0 "[ ]" 3
403 1 53 LYS H 1 53 LYS QG 3.400 . 4.400 3.013 3.013 3.013 . 0 0 "[ ]" 3
404 1 53 LYS QB 1 54 ASP H 2.800 . 3.600 2.325 2.325 2.325 . 0 0 "[ ]" 3
405 1 53 LYS QG 1 54 ASP H 3.500 . 4.600 3.812 3.812 3.812 . 0 0 "[ ]" 3
406 1 53 LYS H 1 54 ASP H 3.200 . 4.200 4.247 4.247 4.247 0.047 1 0 "[ ]" 3
407 1 54 ASP HA 1 54 ASP QB 2.400 . 3.100 2.175 2.175 2.175 . 0 0 "[ ]" 3
408 1 54 ASP H 1 54 ASP HA 2.800 . 3.600 2.936 2.936 2.936 . 0 0 "[ ]" 3
409 1 54 ASP H 1 54 ASP QB 2.800 . 3.600 3.000 3.000 3.000 . 0 0 "[ ]" 3
410 1 54 ASP HA 1 55 GLY H 2.200 . 2.900 2.211 2.211 2.211 . 0 0 "[ ]" 3
411 1 54 ASP QB 1 55 GLY H 2.900 . 3.800 3.144 3.144 3.144 . 0 0 "[ ]" 3
412 1 54 ASP H 1 55 GLY H 3.400 . 4.400 4.332 4.332 4.332 . 0 0 "[ ]" 3
413 1 55 GLY QA 1 56 PHE H 2.600 . 3.400 2.192 2.192 2.192 . 0 0 "[ ]" 3
414 1 56 PHE HA 1 56 PHE HB3 2.600 . 3.400 2.545 2.545 2.545 . 0 0 "[ ]" 3
415 1 56 PHE HA 1 56 PHE HB2 2.700 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 3
416 1 56 PHE HA 1 56 PHE QD 3.200 . 4.200 2.639 2.639 2.639 . 0 0 "[ ]" 3
417 1 56 PHE HA 1 56 PHE QE 4.300 . 5.600 4.381 4.381 4.381 . 0 0 "[ ]" 3
418 1 56 PHE HB3 1 56 PHE QD 2.400 . 3.100 2.486 2.486 2.486 . 0 0 "[ ]" 3
419 1 56 PHE HB2 1 56 PHE QD 2.500 . 3.300 2.354 2.354 2.354 . 0 0 "[ ]" 3
420 1 56 PHE HB2 1 56 PHE QE 3.000 . 4.900 4.415 4.415 4.415 . 0 0 "[ ]" 3
421 1 56 PHE H 1 56 PHE HA 2.700 . 3.500 2.862 2.862 2.862 . 0 0 "[ ]" 3
422 1 56 PHE H 1 56 PHE HB3 2.900 . 3.800 3.560 3.560 3.560 . 0 0 "[ ]" 3
423 1 56 PHE H 1 56 PHE HB2 2.600 . 3.400 2.354 2.354 2.354 . 0 0 "[ ]" 3
424 1 56 PHE H 1 56 PHE QD 3.000 . 3.900 2.393 2.393 2.393 . 0 0 "[ ]" 3
425 1 56 PHE H 1 56 PHE QE 3.200 . 4.200 4.231 4.231 4.231 0.031 1 0 "[ ]" 3
426 1 56 PHE HA 1 57 ILE QG 3.100 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 3
427 1 56 PHE HA 1 57 ILE H 2.200 . 2.900 2.128 2.128 2.128 . 0 0 "[ ]" 3
428 1 56 PHE HB3 1 57 ILE H 2.600 . 3.400 3.030 3.030 3.030 . 0 0 "[ ]" 3
429 1 56 PHE HB2 1 57 ILE H 3.400 . 4.400 4.104 4.104 4.104 . 0 0 "[ ]" 3
430 1 56 PHE QD 1 57 ILE H 3.400 . 4.400 3.578 3.578 3.578 . 0 0 "[ ]" 3
431 1 56 PHE QE 1 57 ILE H 3.900 . 6.100 5.699 5.699 5.699 . 0 0 "[ ]" 3
432 1 57 ILE HA 1 57 ILE HB 2.400 . 3.100 2.469 2.469 2.469 . 0 0 "[ ]" 3
433 1 57 ILE HA 1 57 ILE MD 3.000 . 4.900 4.240 4.240 4.240 . 0 0 "[ ]" 3
434 1 57 ILE HA 1 57 ILE QG 3.300 . 4.300 3.390 3.390 3.390 . 0 0 "[ ]" 3
435 1 57 ILE HA 1 57 ILE MG 2.400 . 3.100 2.352 2.352 2.352 . 0 0 "[ ]" 3
436 1 57 ILE HB 1 57 ILE MD 2.400 . 3.100 2.390 2.390 2.390 . 0 0 "[ ]" 3
437 1 57 ILE HB 1 57 ILE MG 2.400 . 3.100 2.165 2.165 2.165 . 0 0 "[ ]" 3
438 1 57 ILE MD 1 57 ILE MG 2.100 . 2.700 2.098 2.098 2.098 . 0 0 "[ ]" 3
439 1 57 ILE QG 1 57 ILE MG 2.000 . 2.600 2.363 2.363 2.363 . 0 0 "[ ]" 3
440 1 57 ILE H 1 57 ILE HA 3.000 . 3.900 2.945 2.945 2.945 . 0 0 "[ ]" 3
441 1 57 ILE H 1 57 ILE QG 2.800 . 3.600 2.408 2.408 2.408 . 0 0 "[ ]" 3
442 1 57 ILE H 1 57 ILE MG 3.500 . 4.600 3.133 3.133 3.133 . 0 0 "[ ]" 3
443 1 57 ILE HA 1 58 PRO QD 2.100 . 2.700 2.008 2.008 2.008 . 0 0 "[ ]" 3
444 1 57 ILE HA 1 58 PRO QG 3.400 . 4.400 3.978 3.978 3.978 . 0 0 "[ ]" 3
445 1 57 ILE HB 1 58 PRO QD 2.800 . 3.400 2.589 2.589 2.589 . 0 0 "[ ]" 3
446 1 58 PRO HA 1 58 PRO QB 2.400 . 3.100 2.150 2.150 2.150 . 0 0 "[ ]" 3
447 1 58 PRO HA 1 58 PRO QD 3.600 . 4.700 3.441 3.441 3.441 . 0 0 "[ ]" 3
448 1 58 PRO HA 1 58 PRO QG 2.700 . 4.500 3.429 3.429 3.429 . 0 0 "[ ]" 3
449 1 58 PRO HA 1 59 LYS H 2.200 . 2.900 2.293 2.293 2.293 . 0 0 "[ ]" 3
450 1 58 PRO QB 1 59 LYS H 3.900 . 4.600 3.245 3.245 3.245 . 0 0 "[ ]" 3
451 1 58 PRO HA 1 60 ASN H 4.000 . 5.200 3.946 3.946 3.946 . 0 0 "[ ]" 3
452 1 58 PRO QB 1 60 ASN H . . 3.600 2.663 2.663 2.663 . 0 0 "[ ]" 3
453 1 58 PRO QB 1 61 TYR QD . . 3.600 2.488 2.488 2.488 . 0 0 "[ ]" 3
454 1 58 PRO QB 1 61 TYR QB 3.000 . 3.900 2.936 2.936 2.936 . 0 0 "[ ]" 3
455 1 58 PRO QB 1 61 TYR QE 3.600 . 4.700 4.095 4.095 4.095 . 0 0 "[ ]" 3
456 1 58 PRO QB 1 61 TYR H 3.400 . 4.400 2.404 2.404 2.404 . 0 0 "[ ]" 3
457 1 58 PRO QD 1 61 TYR QB 3.400 . 4.400 2.863 2.863 2.863 . 0 0 "[ ]" 3
458 1 58 PRO QG 1 61 TYR QB 3.300 . 3.500 2.186 2.186 2.186 . 0 0 "[ ]" 3
459 1 58 PRO QG 1 61 TYR QD 4.000 . 5.200 2.600 2.600 2.600 . 0 0 "[ ]" 3
460 1 58 PRO QG 1 61 TYR QE 3.200 . 4.200 3.771 3.771 3.771 . 0 0 "[ ]" 3
461 1 58 PRO QG 1 61 TYR H 3.800 . 4.900 3.327 3.327 3.327 . 0 0 "[ ]" 3
462 1 58 PRO QB 1 62 ILE H 3.800 . 4.900 4.775 4.775 4.775 . 0 0 "[ ]" 3
463 1 58 PRO HA 2 2 VAL QG 3.700 . 4.800 12.621 12.621 12.621 7.821 1 1 [+] 3
464 1 58 PRO QB 2 2 VAL HA 3.400 . 4.400 12.156 12.156 12.156 7.756 1 1 [+] 3
465 1 58 PRO QB 2 2 VAL QG 3.600 . 3.600 9.607 9.607 9.607 6.007 1 1 [+] 3
466 1 58 PRO QD 2 2 VAL QG 3.300 . 4.300 10.496 10.496 10.496 6.196 1 1 [+] 3
467 1 58 PRO QG 2 2 VAL HB 3.700 . 4.800 12.579 12.579 12.579 7.779 1 1 [+] 3
468 1 58 PRO QG 2 2 VAL QG 2.700 . 3.500 9.204 9.204 9.204 5.704 1 1 [+] 3
469 1 58 PRO HA 2 3 PRO QG 3.700 . 4.800 11.429 11.429 11.429 6.629 1 1 [+] 3
470 1 58 PRO QB 2 3 PRO QD . . 3.500 9.647 9.647 9.647 6.147 1 1 [+] 3
471 1 58 PRO QB 2 3 PRO QG 3.400 . 4.400 8.447 8.447 8.447 4.047 1 1 [+] 3
472 1 58 PRO QG 2 3 PRO QD 3.600 . 4.600 8.794 8.794 8.794 4.194 1 1 [+] 3
473 1 59 LYS HA 1 59 LYS QB 2.000 . 2.600 2.291 2.291 2.291 . 0 0 "[ ]" 3
474 1 59 LYS HA 1 59 LYS QG 2.400 . 3.100 2.677 2.677 2.677 . 0 0 "[ ]" 3
475 1 59 LYS QE 1 59 LYS QG 3.100 . 4.000 2.582 2.582 2.582 . 0 0 "[ ]" 3
476 1 59 LYS H 1 59 LYS HA 2.700 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 3
477 1 59 LYS H 1 59 LYS QB 2.700 . 3.500 2.812 2.812 2.812 . 0 0 "[ ]" 3
478 1 59 LYS H 1 59 LYS QG 2.900 . 3.800 1.967 1.967 1.967 . 0 0 "[ ]" 3
479 1 59 LYS HA 1 60 ASN H 3.500 . 4.600 3.538 3.538 3.538 . 0 0 "[ ]" 3
480 1 59 LYS QB 1 60 ASN H 3.200 . 4.200 3.076 3.076 3.076 . 0 0 "[ ]" 3
481 1 59 LYS QG 1 60 ASN H 3.100 . 4.000 3.952 3.952 3.952 . 0 0 "[ ]" 3
482 1 59 LYS H 1 60 ASN H 2.600 . 3.400 2.770 2.770 2.770 . 0 0 "[ ]" 3
483 1 59 LYS HA 1 61 TYR H 3.700 . 4.800 4.163 4.163 4.163 . 0 0 "[ ]" 3
484 1 59 LYS H 1 61 TYR H 4.300 . 5.600 4.443 4.443 4.443 . 0 0 "[ ]" 3
485 1 59 LYS HA 1 62 ILE H 3.500 . 4.600 3.649 3.649 3.649 . 0 0 "[ ]" 3
486 1 59 LYS H 2 3 PRO QD 3.900 . 5.100 13.421 13.421 13.421 8.321 1 1 [+] 3
487 1 60 ASN HA 1 60 ASN HB2 2.200 . 2.900 2.559 2.559 2.559 . 0 0 "[ ]" 3
488 1 60 ASN HA 1 60 ASN HB3 2.400 . 3.100 2.256 2.256 2.256 . 0 0 "[ ]" 3
489 1 60 ASN HA 1 60 ASN QD 4.100 . 5.100 4.004 4.004 4.004 . 0 0 "[ ]" 3
490 1 60 ASN HB2 1 60 ASN QD 2.600 . 3.400 2.225 2.225 2.225 . 0 0 "[ ]" 3
491 1 60 ASN HB3 1 60 ASN QD 2.800 . 3.600 3.274 3.274 3.274 . 0 0 "[ ]" 3
492 1 60 ASN H 1 60 ASN HB2 3.100 . 4.000 3.726 3.726 3.726 . 0 0 "[ ]" 3
493 1 60 ASN H 1 60 ASN HB3 2.900 . 3.800 3.108 3.108 3.108 . 0 0 "[ ]" 3
494 1 60 ASN HB3 1 61 TYR H 3.500 . 4.600 4.530 4.530 4.530 . 0 0 "[ ]" 3
495 1 60 ASN QD 1 61 TYR QE 3.700 . 4.800 2.574 2.574 2.574 . 0 0 "[ ]" 3
496 1 60 ASN H 1 61 TYR H 2.600 . 3.400 2.603 2.603 2.603 . 0 0 "[ ]" 3
497 1 60 ASN H 1 62 ILE H 3.500 . 4.600 4.166 4.166 4.166 . 0 0 "[ ]" 3
498 1 60 ASN QD 2 2 VAL HA 3.400 . 4.400 9.723 9.723 9.723 5.323 1 1 [+] 3
499 1 60 ASN QD 2 2 VAL QG 3.400 . 3.800 7.463 7.463 7.463 3.663 1 1 [+] 3
500 1 60 ASN QD 2 3 PRO QD 3.700 . 3.900 7.832 7.832 7.832 3.932 1 1 [+] 3
501 1 60 ASN H 2 3 PRO QG 3.600 . 4.700 10.149 10.149 10.149 5.449 1 1 [+] 3
502 1 61 TYR HA 1 61 TYR QD 3.300 . 4.300 3.032 3.032 3.032 . 0 0 "[ ]" 3
503 1 61 TYR HA 1 61 TYR QE 3.700 . 5.800 4.408 4.408 4.408 . 0 0 "[ ]" 3
504 1 61 TYR QB 1 61 TYR QD 2.900 . 3.300 2.143 2.143 2.143 . 0 0 "[ ]" 3
505 1 61 TYR H 1 61 TYR HA 2.600 . 3.400 2.897 2.897 2.897 . 0 0 "[ ]" 3
506 1 61 TYR H 1 61 TYR QB 2.900 . 3.300 2.141 2.141 2.141 . 0 0 "[ ]" 3
507 1 61 TYR H 1 61 TYR QD 2.600 . 3.400 2.467 2.467 2.467 . 0 0 "[ ]" 3
508 1 61 TYR H 1 61 TYR QE 3.000 . 4.900 4.720 4.720 4.720 . 0 0 "[ ]" 3
509 1 61 TYR QB 1 62 ILE H 3.100 . 3.900 3.374 3.374 3.374 . 0 0 "[ ]" 3
510 1 61 TYR H 1 62 ILE MG 3.600 . 4.700 3.406 3.406 3.406 . 0 0 "[ ]" 3
511 1 61 TYR H 1 62 ILE H 2.400 . 3.100 2.700 2.700 2.700 . 0 0 "[ ]" 3
512 1 61 TYR QB 2 2 VAL QG 2.700 . 4.500 8.685 8.685 8.685 4.185 1 1 [+] 3
513 1 61 TYR QD 2 2 VAL HA 3.200 . 4.200 8.680 8.680 8.680 4.480 1 1 [+] 3
514 1 61 TYR QD 2 2 VAL QG 2.700 . 3.500 7.488 7.488 7.488 3.988 1 1 [+] 3
515 1 61 TYR QE 2 2 VAL HA 3.400 . 4.400 7.159 7.159 7.159 2.759 1 1 [+] 3
516 1 61 TYR QE 2 2 VAL QG 2.900 . 3.600 6.227 6.227 6.227 2.627 1 1 [+] 3
517 1 61 TYR H 2 2 VAL QG 3.500 . 4.600 10.082 10.082 10.082 5.482 1 1 [+] 3
518 1 61 TYR QD 2 3 PRO QD 4.400 . 5.700 6.230 6.230 6.230 0.530 1 1 [+] 3
519 1 61 TYR QE 2 3 PRO QD 3.600 . 4.700 4.816 4.816 4.816 0.116 1 0 "[ ]" 3
520 1 62 ILE HA 1 62 ILE HB 2.200 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 3
521 1 62 ILE HA 1 62 ILE MD 3.200 . 4.200 4.051 4.051 4.051 . 0 0 "[ ]" 3
522 1 62 ILE HA 1 62 ILE QG 2.400 . 3.100 3.017 3.017 3.017 . 0 0 "[ ]" 3
523 1 62 ILE HA 1 62 ILE MG 2.300 . 3.000 3.044 3.044 3.044 0.044 1 0 "[ ]" 3
524 1 62 ILE HB 1 62 ILE MD 2.600 . 3.400 2.409 2.409 2.409 . 0 0 "[ ]" 3
525 1 62 ILE HB 1 62 ILE QG 2.300 . 3.000 2.295 2.295 2.295 . 0 0 "[ ]" 3
526 1 62 ILE HB 1 62 ILE MG 2.300 . 3.000 2.132 2.132 2.132 . 0 0 "[ ]" 3
527 1 62 ILE QG 1 62 ILE MG 2.200 . 2.900 2.506 2.506 2.506 . 0 0 "[ ]" 3
528 1 62 ILE H 1 62 ILE HA 2.700 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 3
529 1 62 ILE H 1 62 ILE HB 3.600 . 4.700 3.735 3.735 3.735 . 0 0 "[ ]" 3
530 1 62 ILE H 1 62 ILE MD 3.600 . 4.700 4.445 4.445 4.445 . 0 0 "[ ]" 3
531 1 62 ILE H 1 62 ILE MG 3.000 . 3.900 2.248 2.248 2.248 . 0 0 "[ ]" 3
532 1 62 ILE MD 1 64 MET QG 3.400 . 4.400 2.738 2.738 2.738 . 0 0 "[ ]" 3
533 1 62 ILE MD 1 64 MET H 3.500 . 4.600 4.629 4.629 4.629 0.029 1 0 "[ ]" 3
534 1 62 ILE QG 1 64 MET QG 3.600 . 4.700 2.259 2.259 2.259 . 0 0 "[ ]" 3
535 1 63 GLU HA 1 63 GLU QG 2.100 . 2.700 2.423 2.423 2.423 . 0 0 "[ ]" 3
536 1 63 GLU QB 1 63 GLU QG 2.000 . 2.600 2.150 2.150 2.150 . 0 0 "[ ]" 3
537 1 64 MET HA 1 64 MET QB 2.400 . 3.100 2.356 2.356 2.356 . 0 0 "[ ]" 3
538 1 64 MET HA 1 64 MET QG 2.100 . 2.700 2.596 2.596 2.596 . 0 0 "[ ]" 3
539 1 64 MET QB 1 64 MET QG 2.000 . 2.600 2.162 2.162 2.162 . 0 0 "[ ]" 3
540 1 64 MET H 1 64 MET QB 2.300 . 3.000 2.474 2.474 2.474 . 0 0 "[ ]" 3
541 1 64 MET H 1 64 MET QG 2.900 . 3.800 2.069 2.069 2.069 . 0 0 "[ ]" 3
542 1 64 MET HA 1 65 LYS H 2.000 . 2.600 2.090 2.090 2.090 . 0 0 "[ ]" 3
543 1 64 MET QG 1 65 LYS H 3.400 . 4.400 4.141 4.141 4.141 . 0 0 "[ ]" 3
544 1 64 MET QB 1 66 PRO QD 2.200 . 2.900 2.913 2.913 2.913 0.013 1 0 "[ ]" 3
545 1 65 LYS HA 1 65 LYS HB3 2.100 . 2.700 2.539 2.539 2.539 . 0 0 "[ ]" 3
546 1 65 LYS HB2 1 65 LYS QG 2.000 . 2.600 2.156 2.156 2.156 . 0 0 "[ ]" 3
547 1 65 LYS QE 1 65 LYS QG 3.200 . 4.200 2.653 2.653 2.653 . 0 0 "[ ]" 3
548 1 65 LYS H 1 65 LYS HB2 2.600 . 3.400 2.835 2.835 2.835 . 0 0 "[ ]" 3
549 1 65 LYS H 1 65 LYS QG 2.700 . 3.500 3.172 3.172 3.172 . 0 0 "[ ]" 3
550 2 2 VAL HA 2 2 VAL HB 2.100 . 2.700 3.045 3.045 3.045 0.345 1 0 "[ ]" 3
551 2 2 VAL HA 2 2 VAL QG 2.000 . 2.600 2.168 2.168 2.168 . 0 0 "[ ]" 3
552 2 2 VAL H 2 2 VAL HA 2.300 . 3.000 2.992 2.992 2.992 . 0 0 "[ ]" 3
553 2 2 VAL H 2 2 VAL HB 2.200 . 3.900 2.607 2.607 2.607 . 0 0 "[ ]" 3
554 2 2 VAL H 2 2 VAL QG 2.200 . 2.900 2.708 2.708 2.708 . 0 0 "[ ]" 3
555 2 2 VAL HA 2 3 PRO QD 2.000 . 2.600 2.075 2.075 2.075 . 0 0 "[ ]" 3
556 2 2 VAL HB 2 3 PRO QD 2.900 . 4.800 4.420 4.420 4.420 . 0 0 "[ ]" 3
557 2 2 VAL QG 2 3 PRO QD 2.700 . 3.100 3.084 3.084 3.084 . 0 0 "[ ]" 3
558 2 2 VAL H 2 3 PRO QD 4.100 . 5.300 3.646 3.646 3.646 . 0 0 "[ ]" 3
559 2 3 PRO HA 2 4 PRO HD2 1.800 . 2.300 2.341 2.341 2.341 0.041 1 0 "[ ]" 3
560 2 3 PRO HA 2 4 PRO HD3 1.800 . 2.300 2.038 2.038 2.038 . 0 0 "[ ]" 3
561 2 3 PRO QB 2 4 PRO HD2 1.800 . 2.500 2.316 2.316 2.316 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 49
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.540
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0361
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0675
_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 10 MET 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 ILE 0.071 0.037 1 0 "[ ]"
1 14 ALA 0.027 0.027 1 0 "[ ]"
1 15 LYS 0.000 0.000 . 0 "[ ]"
1 16 TYR 0.000 0.000 . 0 "[ ]"
1 18 PHE 0.000 0.000 . 0 "[ ]"
1 20 ALA 0.000 0.000 . 0 "[ ]"
1 22 ALA 0.061 0.061 1 0 "[ ]"
1 23 ASP 0.061 0.061 1 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.015 0.015 1 0 "[ ]"
1 30 ARG 0.000 0.000 . 0 "[ ]"
1 32 ASP 0.146 0.146 1 0 "[ ]"
1 33 ILE 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.197 0.197 1 0 "[ ]"
1 36 VAL 0.000 0.000 . 0 "[ ]"
1 39 GLU 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.000 0.000 . 0 "[ ]"
1 41 CYS 0.000 0.000 . 0 "[ ]"
1 42 ASP 0.000 0.000 . 0 "[ ]"
1 45 TRP 0.000 0.000 . 0 "[ ]"
1 46 TYR 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.000 0.000 . 0 "[ ]"
1 49 GLU 0.000 0.000 . 0 "[ ]"
1 50 LEU 0.358 0.197 1 0 "[ ]"
1 51 ASN 0.024 0.024 1 0 "[ ]"
1 52 GLY 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.024 0.024 1 0 "[ ]"
1 54 ASP 0.000 0.000 . 0 "[ ]"
1 55 GLY 0.000 0.000 . 0 "[ ]"
1 56 PHE 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 PRO 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.000 0.000 . 0 "[ ]"
1 61 TYR 0.000 0.000 . 0 "[ ]"
1 62 ILE 0.098 0.037 1 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 MET 0.000 0.000 . 0 "[ ]"
1 65 LYS 0.000 0.000 . 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 15 LYS QD 1 16 TYR QE 2.900 . 3.800 3.550 3.550 3.550 . 0 0 "[ ]" 4
2 1 40 GLU QG 1 41 CYS HA 3.500 . 4.600 4.438 4.438 4.438 . 0 0 "[ ]" 4
3 1 22 ALA HA 1 23 ASP QB 2.900 . 3.800 3.861 3.861 3.861 0.061 1 0 "[ ]" 4
4 1 52 GLY QA 1 53 LYS QG 3.200 . 4.200 3.459 3.459 3.459 . 0 0 "[ ]" 4
5 1 57 ILE MG 1 58 PRO QD 3.000 . 3.900 3.362 3.362 3.362 . 0 0 "[ ]" 4
6 1 63 GLU QG 1 64 MET H 2.500 . 3.200 3.014 3.014 3.014 . 0 0 "[ ]" 4
7 1 64 MET QB 1 65 LYS H 2.700 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 4
8 1 14 ALA HA 1 15 LYS HA 4.800 . 6.200 4.488 4.488 4.488 . 0 0 "[ ]" 4
9 1 54 ASP HA 1 55 GLY QA 4.100 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 4
10 1 58 PRO HA 1 59 LYS QG 3.600 . 4.700 3.756 3.756 3.756 . 0 0 "[ ]" 4
11 1 62 ILE HA 1 63 GLU QB 3.600 . 4.700 4.005 4.005 4.005 . 0 0 "[ ]" 4
12 1 33 ILE QG 1 34 LEU H 4.400 . 5.700 4.179 4.179 4.179 . 0 0 "[ ]" 4
13 1 50 LEU HB2 1 51 ASN H 4.300 . 5.600 4.124 4.124 4.124 . 0 0 "[ ]" 4
14 1 50 LEU HB3 1 51 ASN H 4.700 . 6.100 3.071 3.071 3.071 . 0 0 "[ ]" 4
15 1 18 PHE QE 1 20 ALA HA 3.100 . 4.000 2.710 2.710 2.710 . 0 0 "[ ]" 4
16 1 59 LYS HA 1 62 ILE QG 3.900 . 5.100 3.977 3.977 3.977 . 0 0 "[ ]" 4
17 1 18 PHE HZ 1 20 ALA HA 3.400 . 4.400 3.926 3.926 3.926 . 0 0 "[ ]" 4
18 1 59 LYS HA 1 62 ILE MD 4.800 . 6.300 3.962 3.962 3.962 . 0 0 "[ ]" 4
19 1 51 ASN HB2 1 53 LYS QB 3.500 . 4.600 4.624 4.624 4.624 0.024 1 0 "[ ]" 4
20 1 42 ASP HB3 1 45 TRP HD1 3.400 . 4.400 2.447 2.447 2.447 . 0 0 "[ ]" 4
21 1 18 PHE QD 1 27 SER HA 2.900 . 3.800 3.555 3.555 3.555 . 0 0 "[ ]" 4
22 1 18 PHE HA 1 61 TYR QE 3.500 . 4.500 3.397 3.397 3.397 . 0 0 "[ ]" 4
23 1 15 LYS QE 1 62 ILE HA 3.600 . 4.700 3.772 3.772 3.772 . 0 0 "[ ]" 4
24 1 45 TRP HA 1 59 LYS QG 3.100 . 4.000 3.381 3.381 3.381 . 0 0 "[ ]" 4
25 1 13 ILE HA 1 34 LEU QD 3.500 . 4.600 3.052 3.052 3.052 . 0 0 "[ ]" 4
26 1 10 MET HB3 1 36 VAL QG 2.900 . 3.800 2.389 2.389 2.389 . 0 0 "[ ]" 4
27 1 34 LEU QD 1 50 LEU HB2 2.700 . 3.500 3.697 3.697 3.697 0.197 1 0 "[ ]" 4
28 1 28 PHE HZ 1 57 ILE HB 3.200 . 4.100 3.294 3.294 3.294 . 0 0 "[ ]" 4
29 1 13 ILE HB 1 62 ILE MD 3.500 . 4.600 4.633 4.633 4.633 0.033 1 0 "[ ]" 4
30 1 28 PHE QB 1 50 LEU MD2 2.800 . 3.600 3.615 3.615 3.615 0.015 1 0 "[ ]" 4
31 1 46 TYR QE 1 59 LYS QD 3.500 . 4.600 2.939 2.939 2.939 . 0 0 "[ ]" 4
32 1 18 PHE HB3 1 28 PHE H 3.200 . 4.200 3.403 3.403 3.403 . 0 0 "[ ]" 4
33 1 13 ILE H 1 62 ILE HB 2.600 . 3.400 3.437 3.437 3.437 0.037 1 0 "[ ]" 4
34 1 45 TRP HB2 1 56 PHE QD 2.900 . 3.800 3.202 3.202 3.202 . 0 0 "[ ]" 4
35 1 49 GLU HA 1 54 ASP HB2 3.000 . 3.900 3.149 3.149 3.149 . 0 0 "[ ]" 4
36 1 49 GLU HA 1 54 ASP HB3 4.000 . 5.300 3.710 3.710 3.710 . 0 0 "[ ]" 4
37 1 39 GLU QB 1 46 TYR QD 3.200 . 4.200 2.140 2.140 2.140 . 0 0 "[ ]" 4
38 1 32 ASP HB2 1 50 LEU MD2 2.300 . 3.000 3.146 3.146 3.146 0.146 1 0 "[ ]" 4
39 1 28 PHE HZ 1 61 TYR H 2.900 . 4.800 4.487 4.487 4.487 . 0 0 "[ ]" 4
40 1 45 TRP HZ2 1 58 PRO QB 4.100 . 5.300 3.660 3.660 3.660 . 0 0 "[ ]" 4
41 1 45 TRP HH2 1 58 PRO QB 4.000 . 5.200 3.639 3.639 3.639 . 0 0 "[ ]" 4
42 1 16 TYR HA 1 30 ARG HA 4.300 . 5.600 3.426 3.426 3.426 . 0 0 "[ ]" 4
43 1 47 LYS QE 1 56 PHE HZ 4.100 . 5.300 4.112 4.112 4.112 . 0 0 "[ ]" 4
44 1 14 ALA HA 1 34 LEU QD 3.100 . 4.000 3.440 3.440 3.440 . 0 0 "[ ]" 4
45 1 14 ALA HA 1 62 ILE MD 3.200 . 4.100 4.127 4.127 4.127 0.027 1 0 "[ ]" 4
46 1 12 ALA HA 1 34 LEU QD 4.100 . 5.300 4.019 4.019 4.019 . 0 0 "[ ]" 4
47 1 34 LEU HG 1 50 LEU MD1 2.800 . 3.600 2.987 2.987 2.987 . 0 0 "[ ]" 4
48 1 28 PHE HZ 1 34 LEU QD 4.000 . 5.200 4.546 4.546 4.546 . 0 0 "[ ]" 4
49 1 28 PHE HZ 1 57 ILE MG 3.500 . 4.500 4.183 4.183 4.183 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.036
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 10 MET 0.000 0.000 . 0 "[ ]"
1 11 GLU 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 ILE 0.000 0.000 . 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 LYS 0.000 0.000 . 0 "[ ]"
1 18 PHE 0.000 0.000 . 0 "[ ]"
1 24 ASP 0.000 0.000 . 0 "[ ]"
1 26 LEU 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.000 0.000 . 0 "[ ]"
1 35 LYS 0.036 0.036 1 0 "[ ]"
1 36 VAL 0.000 0.000 . 0 "[ ]"
1 37 LEU 0.000 0.000 . 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 44 ASN 0.000 0.000 . 0 "[ ]"
1 46 TYR 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.000 0.000 . 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 GLU 0.036 0.036 1 0 "[ ]"
1 50 LEU 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.000 0.000 . 0 "[ ]"
1 55 GLY 0.000 0.000 . 0 "[ ]"
1 56 PHE 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 PRO 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.000 0.000 . 0 "[ ]"
1 61 TYR 0.000 0.000 . 0 "[ ]"
1 62 ILE 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 65 LYS 0.000 0.000 . 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 11 GLU N 1 65 LYS O 3.000 2.800 3.900 2.917 2.917 2.917 . 0 0 "[ ]" 5
2 1 11 GLU H 1 65 LYS O 2.000 . 2.600 2.132 2.132 2.132 . 0 0 "[ ]" 5
3 1 12 ALA N 1 34 LEU O 3.000 2.800 3.900 3.520 3.520 3.520 . 0 0 "[ ]" 5
4 1 12 ALA H 1 34 LEU O 2.000 . 2.600 2.536 2.536 2.536 . 0 0 "[ ]" 5
5 1 13 ILE N 1 63 GLU O 3.000 2.800 3.900 3.343 3.343 3.343 . 0 0 "[ ]" 5
6 1 13 ILE H 1 63 GLU O 2.000 . 2.600 2.582 2.582 2.582 . 0 0 "[ ]" 5
7 1 15 LYS N 1 61 TYR O 3.000 2.800 3.900 2.863 2.863 2.863 . 0 0 "[ ]" 5
8 1 15 LYS H 1 61 TYR O 2.000 . 2.600 1.968 1.968 1.968 . 0 0 "[ ]" 5
9 1 18 PHE N 1 28 PHE O 3.000 2.800 3.900 2.890 2.890 2.890 . 0 0 "[ ]" 5
10 1 18 PHE H 1 28 PHE O 2.000 . 2.600 1.937 1.937 1.937 . 0 0 "[ ]" 5
11 1 26 LEU N 1 56 PHE O 3.000 2.800 3.900 3.450 3.450 3.450 . 0 0 "[ ]" 5
12 1 26 LEU H 1 56 PHE O 2.000 . 2.600 2.480 2.480 2.480 . 0 0 "[ ]" 5
13 1 18 PHE O 1 28 PHE N 3.000 2.800 3.900 2.954 2.954 2.954 . 0 0 "[ ]" 5
14 1 18 PHE O 1 28 PHE H 2.000 . 2.600 1.952 1.952 1.952 . 0 0 "[ ]" 5
15 1 14 ALA O 1 31 GLY N 3.000 2.800 3.900 2.923 2.923 2.923 . 0 0 "[ ]" 5
16 1 14 ALA O 1 31 GLY H 2.000 . 2.600 2.436 2.436 2.436 . 0 0 "[ ]" 5
17 1 35 LYS N 1 49 GLU O 3.000 2.800 3.900 3.172 3.172 3.172 . 0 0 "[ ]" 5
18 1 35 LYS H 1 49 GLU O 2.000 . 2.600 2.318 2.318 2.318 . 0 0 "[ ]" 5
19 1 10 MET O 1 36 VAL N 3.000 2.800 3.900 3.163 3.163 3.163 . 0 0 "[ ]" 5
20 1 10 MET O 1 36 VAL H 2.000 . 2.600 2.209 2.209 2.209 . 0 0 "[ ]" 5
21 1 37 LEU N 1 47 LYS O 3.000 2.800 3.900 3.309 3.309 3.309 . 0 0 "[ ]" 5
22 1 37 LEU H 1 47 LYS O 2.000 . 2.600 2.440 2.440 2.440 . 0 0 "[ ]" 5
23 1 46 TYR N 1 57 ILE O 3.000 2.800 3.900 2.962 2.962 2.962 . 0 0 "[ ]" 5
24 1 46 TYR H 1 57 ILE O 2.000 . 2.600 1.968 1.968 1.968 . 0 0 "[ ]" 5
25 1 38 ASN O 1 47 LYS N 3.000 2.800 3.900 3.168 3.168 3.168 . 0 0 "[ ]" 5
26 1 38 ASN O 1 47 LYS H 2.000 . 2.600 2.229 2.229 2.229 . 0 0 "[ ]" 5
27 1 48 ALA N 1 55 GLY O 3.000 2.800 3.900 3.072 3.072 3.072 . 0 0 "[ ]" 5
28 1 48 ALA H 1 55 GLY O 2.000 . 2.600 2.181 2.181 2.181 . 0 0 "[ ]" 5
29 1 35 LYS O 1 49 GLU N 3.000 2.800 3.900 2.764 2.764 2.764 0.036 1 0 "[ ]" 5
30 1 35 LYS O 1 49 GLU H 2.000 . 2.600 2.084 2.084 2.084 . 0 0 "[ ]" 5
31 1 50 LEU N 1 53 LYS O 3.000 2.800 3.900 2.947 2.947 2.947 . 0 0 "[ ]" 5
32 1 50 LEU H 1 53 LYS O 2.000 . 2.600 2.045 2.045 2.045 . 0 0 "[ ]" 5
33 1 50 LEU O 1 53 LYS N 3.000 2.800 3.900 2.896 2.896 2.896 . 0 0 "[ ]" 5
34 1 50 LEU O 1 53 LYS H 2.000 . 2.600 1.967 1.967 1.967 . 0 0 "[ ]" 5
35 1 48 ALA O 1 55 GLY N 3.000 2.800 3.900 3.101 3.101 3.101 . 0 0 "[ ]" 5
36 1 48 ALA O 1 55 GLY H 2.000 . 2.600 2.164 2.164 2.164 . 0 0 "[ ]" 5
37 1 24 ASP O 1 56 PHE N 3.000 2.800 3.900 3.068 3.068 3.068 . 0 0 "[ ]" 5
38 1 24 ASP O 1 56 PHE H 2.000 . 2.600 2.101 2.101 2.101 . 0 0 "[ ]" 5
39 1 46 TYR O 1 57 ILE N 3.000 2.800 3.900 2.914 2.914 2.914 . 0 0 "[ ]" 5
40 1 46 TYR O 1 57 ILE H 2.000 . 2.600 2.070 2.070 2.070 . 0 0 "[ ]" 5
41 1 44 ASN O 1 59 LYS N 3.000 2.800 3.900 2.962 2.962 2.962 . 0 0 "[ ]" 5
42 1 44 ASN O 1 59 LYS H 2.000 . 2.600 2.021 2.021 2.021 . 0 0 "[ ]" 5
43 1 58 PRO O 1 61 TYR N 3.000 2.800 3.900 3.309 3.309 3.309 . 0 0 "[ ]" 5
44 1 58 PRO O 1 61 TYR H 2.000 . 2.600 2.595 2.595 2.595 . 0 0 "[ ]" 5
45 1 59 LYS O 1 62 ILE N 3.000 2.800 3.900 3.506 3.506 3.506 . 0 0 "[ ]" 5
46 1 59 LYS O 1 62 ILE H 2.000 . 2.600 2.586 2.586 2.586 . 0 0 "[ ]" 5
47 1 13 ILE O 1 63 GLU N 3.000 2.800 3.900 2.849 2.849 2.849 . 0 0 "[ ]" 5
48 1 13 ILE O 1 63 GLU H 2.000 . 2.600 1.865 1.865 1.865 . 0 0 "[ ]" 5
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 3:35:48 AM GMT (wattos1)