NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450396 |
2rlt   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rlt
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 939
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 1.713
_Distance_constraint_stats_list.Viol_max 0.322
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0451
_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 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 GLY 0.000 0.000 . 0 "[ ]"
1 4 GLY 0.000 0.000 . 0 "[ ]"
1 5 SER 0.000 0.000 . 0 "[ ]"
1 7 GLY 0.000 0.000 . 0 "[ ]"
1 8 GLY 0.000 0.000 . 0 "[ ]"
1 10 GLN 0.000 0.000 . 0 "[ ]"
1 11 LYS 0.000 0.000 . 0 "[ ]"
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 HIS 0.123 0.077 1 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 VAL 0.000 0.000 . 0 "[ ]"
1 18 VAL 0.124 0.124 1 0 "[ ]"
1 19 LYS 0.097 0.097 1 0 "[ ]"
1 20 TYR 0.000 0.000 . 0 "[ ]"
1 21 ASP 0.150 0.097 1 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 ARG 0.008 0.008 1 0 "[ ]"
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.027 0.027 1 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.027 0.027 1 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 VAL 0.045 0.045 1 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 LYS 0.000 0.000 . 0 "[ ]"
1 34 TRP 0.170 0.133 1 0 "[ ]"
1 35 ILE 0.000 0.000 . 0 "[ ]"
1 36 ASP 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.057 0.039 1 0 "[ ]"
1 39 LEU 0.018 0.018 1 0 "[ ]"
1 40 GLU 0.039 0.039 1 0 "[ ]"
1 41 GLU 0.125 0.125 1 0 "[ ]"
1 42 LEU 0.054 0.054 1 0 "[ ]"
1 43 TYR 0.160 0.125 1 0 "[ ]"
1 44 ARG 0.148 0.077 1 0 "[ ]"
1 45 GLY 0.000 0.000 . 0 "[ ]"
1 46 ARG 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.048 0.024 1 0 "[ ]"
1 48 ALA 0.112 0.071 1 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 MET 0.093 0.042 1 0 "[ ]"
1 51 PRO 0.045 0.045 1 0 "[ ]"
1 52 ASP 0.000 0.000 . 0 "[ ]"
1 53 GLU 0.033 0.033 1 0 "[ ]"
1 54 VAL 0.000 0.000 . 0 "[ ]"
1 55 ASN 0.000 0.000 . 0 "[ ]"
1 56 ILE 0.028 0.025 1 0 "[ ]"
1 57 ASP 0.028 0.025 1 0 "[ ]"
1 58 GLU 0.000 0.000 . 0 "[ ]"
1 59 LEU 0.040 0.037 1 0 "[ ]"
1 60 LEU 0.002 0.002 1 0 "[ ]"
1 61 GLU 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.061 0.061 1 0 "[ ]"
1 64 SER 0.061 0.061 1 0 "[ ]"
1 65 GLU 0.000 0.000 . 0 "[ ]"
1 66 GLU 0.359 0.322 1 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 ARG 0.000 0.000 . 0 "[ ]"
1 69 SER 0.000 0.000 . 0 "[ ]"
1 70 ARG 0.000 0.000 . 0 "[ ]"
1 71 LYS 0.000 0.000 . 0 "[ ]"
1 72 ILE 0.011 0.011 1 0 "[ ]"
1 73 GLN 0.000 0.000 . 0 "[ ]"
1 74 GLY 0.011 0.011 1 0 "[ ]"
1 75 LEU 0.069 0.029 1 0 "[ ]"
1 76 LEU 0.000 0.000 . 0 "[ ]"
1 77 LYS 0.029 0.017 1 0 "[ ]"
1 78 SER 0.000 0.000 . 0 "[ ]"
1 79 CYS 0.012 0.012 1 0 "[ ]"
1 80 THR 0.024 0.024 1 0 "[ ]"
1 81 ASN 0.054 0.054 1 0 "[ ]"
1 82 PRO 0.071 0.071 1 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 84 GLU 0.010 0.005 1 0 "[ ]"
1 85 ASN 0.000 0.000 . 0 "[ ]"
1 86 PHE 0.066 0.037 1 0 "[ ]"
1 87 VAL 0.029 0.029 1 0 "[ ]"
1 88 GLN 0.000 0.000 . 0 "[ ]"
1 89 GLU 0.000 0.000 . 0 "[ ]"
1 90 LEU 0.133 0.133 1 0 "[ ]"
1 91 LEU 0.000 0.000 . 0 "[ ]"
1 92 VAL 0.000 0.000 . 0 "[ ]"
1 93 LYS 0.004 0.004 1 0 "[ ]"
1 94 LEU 0.326 0.322 1 0 "[ ]"
1 95 ARG 0.000 0.000 . 0 "[ ]"
1 96 GLY 0.041 0.041 1 0 "[ ]"
1 97 LEU 0.044 0.041 1 0 "[ ]"
1 98 HIS 0.348 0.322 1 0 "[ ]"
1 99 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 2 PRO QB 1 3 GLY H 0.000 . 7.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
2 1 3 GLY QA 1 4 GLY H 0.000 . 5.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
3 1 4 GLY QA 1 5 SER H 0.000 . 7.000 2.204 2.204 2.204 . 0 0 "[ ]" 1
4 1 5 SER HA 1 7 GLY H 0.000 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
5 1 7 GLY QA 1 8 GLY H 0.000 . 6.000 2.185 2.185 2.185 . 0 0 "[ ]" 1
6 1 10 GLN QE 1 44 ARG H 0.000 . 6.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
7 1 12 ARG HA 1 13 HIS H 0.000 . 5.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
8 1 12 ARG QB 1 13 HIS H 0.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
9 1 13 HIS HA 1 14 ALA H 0.000 . 6.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
10 1 13 HIS HA 1 50 MET ME 0.000 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1
11 1 13 HIS HD2 1 39 LEU MD1 0.000 . 5.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
12 1 13 HIS HD2 1 42 LEU QB 0.000 . 7.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
13 1 13 HIS HD2 1 42 LEU MD2 0.000 . 6.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
14 1 13 HIS HD2 1 44 ARG H 0.000 . 4.000 4.077 4.077 4.077 0.077 1 0 "[ ]" 1
15 1 13 HIS HD2 1 49 ASP QB 0.000 . 6.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
16 1 13 HIS HD2 1 50 MET QB 0.000 . 7.000 4.943 4.943 4.943 . 0 0 "[ ]" 1
17 1 13 HIS HD2 1 50 MET ME 0.000 . 6.500 5.280 5.280 5.280 . 0 0 "[ ]" 1
18 1 13 HIS HD2 1 51 PRO HA 0.000 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
19 1 13 HIS H 1 48 ALA MB 0.000 . 6.500 5.311 5.311 5.311 . 0 0 "[ ]" 1
20 1 14 ALA H 1 14 ALA HA 0.000 . 3.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
21 1 14 ALA MB 1 16 VAL HA 0.000 . 7.500 4.235 4.235 4.235 . 0 0 "[ ]" 1
22 1 14 ALA MB 1 16 VAL H 0.000 . 5.500 3.256 3.256 3.256 . 0 0 "[ ]" 1
23 1 14 ALA MB 1 39 LEU H 0.000 . 7.500 6.127 6.127 6.127 . 0 0 "[ ]" 1
24 1 15 ARG HA 1 16 VAL QG 0.000 . 6.400 3.597 3.597 3.597 . 0 0 "[ ]" 1
25 1 15 ARG HA 1 16 VAL H 0.000 . 3.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
26 1 48 ALA HA 1 50 MET H 0.000 . 4.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
27 1 15 ARG QB 1 16 VAL H 0.000 . 6.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
28 1 16 VAL H 1 16 VAL HA 0.000 . 3.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
29 1 16 VAL HA 1 52 ASP H 0.000 . 5.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
30 1 16 VAL H 1 16 VAL HB 0.000 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
31 1 16 VAL H 1 53 GLU QG 0.000 . 7.000 5.318 5.318 5.318 . 0 0 "[ ]" 1
32 1 55 ASN QB 1 90 LEU MD1 0.000 . 7.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
33 1 18 VAL HA 1 19 LYS H 0.000 . 6.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
34 1 18 VAL HA 1 20 TYR QD 0.000 . 8.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
35 1 18 VAL HA 1 20 TYR QE 0.000 . 8.000 2.502 2.502 2.502 . 0 0 "[ ]" 1
36 1 18 VAL H 1 18 VAL HB 0.000 . 3.000 3.124 3.124 3.124 0.124 1 0 "[ ]" 1
37 1 18 VAL HB 1 19 LYS H 0.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
38 1 18 VAL HB 1 20 TYR QD 0.000 . 8.000 2.102 2.102 2.102 . 0 0 "[ ]" 1
39 1 18 VAL HB 1 20 TYR QE 0.000 . 7.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
40 1 18 VAL MG1 1 19 LYS H 0.000 . 6.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
41 1 18 VAL MG1 1 20 TYR HA 0.000 . 6.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
42 1 18 VAL MG1 1 20 TYR QD 0.000 . 8.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
43 1 18 VAL MG1 1 20 TYR QE 0.000 . 8.500 2.090 2.090 2.090 . 0 0 "[ ]" 1
44 1 18 VAL MG1 1 31 VAL MG2 0.000 . 7.000 1.979 1.979 1.979 . 0 0 "[ ]" 1
45 1 18 VAL MG1 1 32 GLU HG3 0.000 . 6.500 5.472 5.472 5.472 . 0 0 "[ ]" 1
46 1 18 VAL MG1 1 32 GLU HG2 0.000 . 6.500 5.488 5.488 5.488 . 0 0 "[ ]" 1
47 1 18 VAL MG1 1 54 VAL QG 0.000 . 8.400 4.046 4.046 4.046 . 0 0 "[ ]" 1
48 1 18 VAL H 1 18 VAL MG2 0.000 . 4.500 1.496 1.496 1.496 . 0 0 "[ ]" 1
49 1 18 VAL MG2 1 19 LYS H 0.000 . 7.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
50 1 18 VAL MG2 1 20 TYR QD 0.000 . 8.500 3.771 3.771 3.771 . 0 0 "[ ]" 1
51 1 18 VAL MG2 1 20 TYR QE 0.000 . 8.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
52 1 18 VAL MG2 1 34 TRP HZ2 0.000 . 7.500 3.654 3.654 3.654 . 0 0 "[ ]" 1
53 1 18 VAL MG2 1 36 ASP H 0.000 . 7.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
54 1 56 ILE MG 1 57 ASP QB 0.000 . 8.500 5.049 5.049 5.049 . 0 0 "[ ]" 1
55 1 18 VAL H 1 19 LYS H 0.000 . 5.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
56 1 18 VAL H 1 31 VAL QG 0.000 . 7.400 3.092 3.092 3.092 . 0 0 "[ ]" 1
57 1 19 LYS HA 1 20 TYR QD 0.000 . 7.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
58 1 19 LYS HA 1 20 TYR QE 0.000 . 6.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
59 1 18 VAL MG2 1 19 LYS HA 0.000 . 7.500 5.190 5.190 5.190 . 0 0 "[ ]" 1
60 1 19 LYS HA 1 31 VAL MG1 0.000 . 6.500 3.892 3.892 3.892 . 0 0 "[ ]" 1
61 1 19 LYS HA 1 31 VAL MG2 0.000 . 6.500 5.064 5.064 5.064 . 0 0 "[ ]" 1
62 1 19 LYS QB 1 20 TYR HA 0.000 . 6.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
63 1 19 LYS QB 1 20 TYR H 0.000 . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
64 1 19 LYS H 1 21 ASP H 0.000 . 6.000 6.097 6.097 6.097 0.097 1 0 "[ ]" 1
65 1 19 LYS H 1 56 ILE MD 0.000 . 7.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
66 1 19 LYS H 1 56 ILE QG 0.000 . 6.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
67 1 19 LYS H 1 56 ILE MG 0.000 . 7.500 6.100 6.100 6.100 . 0 0 "[ ]" 1
68 1 20 TYR H 1 20 TYR HA 0.000 . 3.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
69 1 20 TYR HA 1 22 ARG H 0.000 . 4.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
70 1 20 TYR QB 1 56 ILE MD 0.000 . 8.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
71 1 20 TYR HB3 1 28 ARG QB 0.000 . 7.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
72 1 20 TYR HB2 1 28 ARG QB 0.000 . 7.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
73 1 20 TYR QD 1 22 ARG H 0.000 . 6.000 5.501 5.501 5.501 . 0 0 "[ ]" 1
74 1 20 TYR QD 1 25 LEU QD 0.000 . 9.400 3.173 3.173 3.173 . 0 0 "[ ]" 1
75 1 20 TYR QD 1 25 LEU HG 0.000 . 8.000 6.094 6.094 6.094 . 0 0 "[ ]" 1
76 1 20 TYR QD 1 28 ARG HA 0.000 . 8.000 4.686 4.686 4.686 . 0 0 "[ ]" 1
77 1 20 TYR QD 1 28 ARG QB 0.000 . 8.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
78 1 20 TYR QD 1 54 VAL QG 0.000 . 9.400 6.275 6.275 6.275 . 0 0 "[ ]" 1
79 1 20 TYR QD 1 56 ILE QG 0.000 . 8.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
80 1 20 TYR QD 1 57 ASP HA 0.000 . 8.000 3.009 3.009 3.009 . 0 0 "[ ]" 1
81 1 20 TYR QD 1 57 ASP H 0.000 . 8.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
82 1 20 TYR QD 1 59 LEU QD 0.000 . 9.400 4.947 4.947 4.947 . 0 0 "[ ]" 1
83 1 20 TYR QE 1 28 ARG HA 0.000 . 8.000 6.603 6.603 6.603 . 0 0 "[ ]" 1
84 1 20 TYR QE 1 28 ARG QB 0.000 . 8.000 6.574 6.574 6.574 . 0 0 "[ ]" 1
85 1 20 TYR QE 1 54 VAL QG 0.000 . 7.400 4.874 4.874 4.874 . 0 0 "[ ]" 1
86 1 20 TYR QE 1 56 ILE MG 0.000 . 7.500 4.749 4.749 4.749 . 0 0 "[ ]" 1
87 1 20 TYR H 1 21 ASP H 0.000 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
88 1 20 TYR H 1 22 ARG H 0.000 . 6.000 5.197 5.197 5.197 . 0 0 "[ ]" 1
89 1 21 ASP HA 1 22 ARG H 0.000 . 5.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
90 1 21 ASP HA 1 31 VAL H 0.000 . 6.000 6.045 6.045 6.045 0.045 1 0 "[ ]" 1
91 1 21 ASP H 1 22 ARG H 0.000 . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
92 1 21 ASP H 1 23 ARG H 0.000 . 6.000 6.008 6.008 6.008 0.008 1 0 "[ ]" 1
93 1 22 ARG HA 1 23 ARG H 0.000 . 6.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
94 1 22 ARG HA 1 25 LEU QD 0.000 . 7.400 5.158 5.158 5.158 . 0 0 "[ ]" 1
95 1 22 ARG QB 1 29 LEU QD 0.000 . 9.400 5.842 5.842 5.842 . 0 0 "[ ]" 1
96 1 22 ARG H 1 23 ARG H 0.000 . 4.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
97 1 22 ARG H 1 29 LEU QD 0.000 . 7.400 5.307 5.307 5.307 . 0 0 "[ ]" 1
98 1 22 ARG H 1 31 VAL MG1 0.000 . 7.500 5.582 5.582 5.582 . 0 0 "[ ]" 1
99 1 23 ARG HA 1 24 GLU H 0.000 . 5.000 2.487 2.487 2.487 . 0 0 "[ ]" 1
100 1 23 ARG QB 1 25 LEU QD 0.000 . 8.400 1.724 1.724 1.724 . 0 0 "[ ]" 1
101 1 23 ARG QB 1 25 LEU H 0.000 . 6.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
102 1 23 ARG QD 1 25 LEU QD 0.000 . 8.400 3.621 3.621 3.621 . 0 0 "[ ]" 1
103 1 23 ARG QG 1 27 ARG H 0.000 . 7.000 6.244 6.244 6.244 . 0 0 "[ ]" 1
104 1 23 ARG H 1 24 GLU H 0.000 . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
105 1 24 GLU HA 1 25 LEU H 0.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
106 1 24 GLU QB 1 25 LEU H 0.000 . 6.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
107 1 24 GLU H 1 25 LEU H 0.000 . 6.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
108 1 25 LEU HA 1 25 LEU HG 0.000 . 4.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
109 1 25 LEU HA 1 26 GLN QB 0.000 . 6.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
110 1 25 LEU HA 1 26 GLN H 0.000 . 6.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
111 1 25 LEU HA 1 27 ARG H 0.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
112 1 25 LEU QB 1 26 GLN QE 0.000 . 7.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
113 1 25 LEU QB 1 26 GLN H 0.000 . 6.000 2.170 2.170 2.170 . 0 0 "[ ]" 1
114 1 25 LEU QD 1 26 GLN QG 0.000 . 8.400 4.099 4.099 4.099 . 0 0 "[ ]" 1
115 1 25 LEU QD 1 26 GLN HG2 0.000 . 8.400 5.393 5.393 5.393 . 0 0 "[ ]" 1
116 1 25 LEU QD 1 27 ARG QG 0.000 . 8.400 3.053 3.053 3.053 . 0 0 "[ ]" 1
117 1 25 LEU QD 1 28 ARG HA 0.000 . 7.400 2.962 2.962 2.962 . 0 0 "[ ]" 1
118 1 25 LEU HG 1 26 GLN H 0.000 . 5.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
119 1 25 LEU HG 1 26 GLN QE 0.000 . 8.000 4.894 4.894 4.894 . 0 0 "[ ]" 1
120 1 25 LEU H 1 26 GLN QE 0.000 . 7.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
121 1 25 LEU H 1 26 GLN H 0.000 . 6.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
122 1 25 LEU H 1 27 ARG H 0.000 . 6.000 5.397 5.397 5.397 . 0 0 "[ ]" 1
123 1 26 GLN HA 1 27 ARG H 0.000 . 5.000 3.155 3.155 3.155 . 0 0 "[ ]" 1
124 1 26 GLN QE 1 97 LEU MD2 0.000 . 7.500 3.713 3.713 3.713 . 0 0 "[ ]" 1
125 1 26 GLN QG 1 27 ARG H 0.000 . 7.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
126 1 26 GLN H 1 27 ARG H 0.000 . 5.000 2.136 2.136 2.136 . 0 0 "[ ]" 1
127 1 26 GLN H 1 97 LEU MD2 0.000 . 5.500 3.764 3.764 3.764 . 0 0 "[ ]" 1
128 1 27 ARG HA 1 28 ARG H 0.000 . 6.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
129 1 27 ARG HA 1 30 ASP HB3 0.000 . 5.000 3.048 3.048 3.048 . 0 0 "[ ]" 1
130 1 27 ARG HA 1 30 ASP HB2 0.000 . 5.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
131 1 27 ARG HA 1 30 ASP H 0.000 . 6.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
132 1 27 ARG HA 1 31 VAL H 0.000 . 6.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
133 1 27 ARG HA 1 97 LEU MD1 0.000 . 7.500 5.578 5.578 5.578 . 0 0 "[ ]" 1
134 1 27 ARG QB 1 28 ARG H 0.000 . 7.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
135 1 27 ARG QB 1 96 GLY H 0.000 . 6.000 5.399 5.399 5.399 . 0 0 "[ ]" 1
136 1 27 ARG H 1 27 ARG QD 0.000 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
137 1 27 ARG QG 1 98 HIS HD2 0.000 . 6.000 5.337 5.337 5.337 . 0 0 "[ ]" 1
138 1 27 ARG H 1 28 ARG H 0.000 . 5.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
139 1 27 ARG H 1 29 LEU H 0.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
140 1 27 ARG H 1 97 LEU MD2 0.000 . 6.500 5.228 5.228 5.228 . 0 0 "[ ]" 1
141 1 28 ARG HA 1 29 LEU H 0.000 . 6.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
142 1 28 ARG HA 1 31 VAL H 0.000 . 6.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
143 1 28 ARG H 1 29 LEU H 0.000 . 5.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
144 1 29 LEU HA 1 30 ASP H 0.000 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
145 1 29 LEU HA 1 32 GLU H 0.000 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
146 1 29 LEU H 1 31 VAL H 0.000 . 6.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
147 1 30 ASP HA 1 31 VAL H 0.000 . 6.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
148 1 30 ASP HB3 1 31 VAL H 0.000 . 4.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
149 1 30 ASP HB2 1 31 VAL H 0.000 . 4.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
150 1 30 ASP H 1 31 VAL H 0.000 . 4.000 2.474 2.474 2.474 . 0 0 "[ ]" 1
151 1 31 VAL HA 1 32 GLU H 0.000 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
152 1 31 VAL HA 1 34 TRP QB 0.000 . 6.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
153 1 31 VAL HA 1 34 TRP H 0.000 . 6.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
154 1 31 VAL QG 1 32 GLU H 0.000 . 8.400 1.677 1.677 1.677 . 0 0 "[ ]" 1
155 1 31 VAL MG1 1 34 TRP H 0.000 . 6.500 4.797 4.797 4.797 . 0 0 "[ ]" 1
156 1 31 VAL MG2 1 35 ILE H 0.000 . 6.500 5.001 5.001 5.001 . 0 0 "[ ]" 1
157 1 31 VAL MG2 1 56 ILE QG 0.000 . 7.500 1.645 1.645 1.645 . 0 0 "[ ]" 1
158 1 31 VAL H 1 32 GLU H 0.000 . 4.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
159 1 32 GLU HA 1 35 ILE H 0.000 . 6.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
160 1 32 GLU HA 1 36 ASP H 0.000 . 6.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
161 1 32 GLU QB 1 33 LYS H 0.000 . 6.000 2.603 2.603 2.603 . 0 0 "[ ]" 1
162 1 32 GLU QG 1 34 TRP H 0.000 . 7.000 5.636 5.636 5.636 . 0 0 "[ ]" 1
163 1 32 GLU H 1 33 LYS H 0.000 . 4.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
164 1 32 GLU H 1 34 TRP H 0.000 . 6.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
165 1 33 LYS HA 1 34 TRP H 0.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
166 1 33 LYS HA 1 35 ILE H 0.000 . 6.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
167 1 33 LYS HA 1 36 ASP H 0.000 . 5.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
168 1 33 LYS QB 1 34 TRP H 0.000 . 6.000 2.736 2.736 2.736 . 0 0 "[ ]" 1
169 1 33 LYS QG 1 34 TRP H 0.000 . 7.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
170 1 33 LYS H 1 34 TRP H 0.000 . 4.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
171 1 33 LYS H 1 35 ILE H 0.000 . 6.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
172 1 34 TRP H 1 34 TRP HA 0.000 . 3.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
173 1 34 TRP HA 1 35 ILE H 0.000 . 5.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
174 1 34 TRP HA 1 36 ASP H 0.000 . 6.000 4.955 4.955 4.955 . 0 0 "[ ]" 1
175 1 34 TRP HA 1 37 GLY H 0.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
176 1 34 TRP HA 1 38 ARG H 0.000 . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
177 1 34 TRP H 1 34 TRP QB 0.000 . 3.600 2.096 2.096 2.096 . 0 0 "[ ]" 1
178 1 34 TRP QB 1 34 TRP HZ2 0.000 . 6.000 5.574 5.574 5.574 . 0 0 "[ ]" 1
179 1 34 TRP QB 1 35 ILE H 0.000 . 6.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
180 1 34 TRP HB3 1 34 TRP HD1 0.000 . 4.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
181 1 34 TRP HB2 1 34 TRP HD1 0.000 . 4.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
182 1 34 TRP H 1 34 TRP HD1 0.000 . 6.000 2.845 2.845 2.845 . 0 0 "[ ]" 1
183 1 34 TRP HD1 1 56 ILE QG 0.000 . 6.000 5.106 5.106 5.106 . 0 0 "[ ]" 1
184 1 34 TRP HD1 1 56 ILE MG 0.000 . 6.500 3.233 3.233 3.233 . 0 0 "[ ]" 1
185 1 34 TRP HE1 1 35 ILE MG 0.000 . 7.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
186 1 34 TRP HE1 1 86 PHE QE 0.000 . 8.000 6.248 6.248 6.248 . 0 0 "[ ]" 1
187 1 34 TRP HH2 1 35 ILE HA 0.000 . 5.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
188 1 34 TRP HH2 1 35 ILE QG 0.000 . 6.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
189 1 34 TRP HH2 1 35 ILE MG 0.000 . 6.500 5.476 5.476 5.476 . 0 0 "[ ]" 1
190 1 34 TRP HH2 1 38 ARG QD 0.000 . 7.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
191 1 34 TRP HH2 1 39 LEU MD1 0.000 . 7.500 5.716 5.716 5.716 . 0 0 "[ ]" 1
192 1 34 TRP HH2 1 54 VAL MG1 0.000 . 7.500 6.088 6.088 6.088 . 0 0 "[ ]" 1
193 1 34 TRP HH2 1 54 VAL MG2 0.000 . 6.500 5.303 5.303 5.303 . 0 0 "[ ]" 1
194 1 34 TRP HH2 1 76 LEU MD2 0.000 . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
195 1 34 TRP HH2 1 89 GLU QB 0.000 . 6.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
196 1 34 TRP HH2 1 89 GLU QG 0.000 . 7.000 5.154 5.154 5.154 . 0 0 "[ ]" 1
197 1 34 TRP HH2 1 90 LEU HA 0.000 . 6.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
198 1 34 TRP HH2 1 90 LEU MD2 0.000 . 6.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
199 1 34 TRP HH2 1 90 LEU HG 0.000 . 6.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
200 1 34 TRP H 1 35 ILE MG 0.000 . 6.500 4.571 4.571 4.571 . 0 0 "[ ]" 1
201 1 34 TRP H 1 35 ILE H 0.000 . 4.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
202 1 34 TRP H 1 55 ASN QD 0.000 . 7.000 6.312 6.312 6.312 . 0 0 "[ ]" 1
203 1 34 TRP HZ2 1 35 ILE HA 0.000 . 6.000 4.066 4.066 4.066 . 0 0 "[ ]" 1
204 1 34 TRP HZ2 1 35 ILE MG 0.000 . 6.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
205 1 34 TRP HZ2 1 38 ARG QD 0.000 . 7.000 5.574 5.574 5.574 . 0 0 "[ ]" 1
206 1 34 TRP HZ2 1 52 ASP QB 0.000 . 7.000 5.274 5.274 5.274 . 0 0 "[ ]" 1
207 1 34 TRP HZ2 1 86 PHE HA 0.000 . 6.000 6.037 6.037 6.037 0.037 1 0 "[ ]" 1
208 1 34 TRP HZ2 1 89 GLU QB 0.000 . 6.000 5.072 5.072 5.072 . 0 0 "[ ]" 1
209 1 34 TRP HZ2 1 89 GLU QG 0.000 . 6.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
210 1 34 TRP HZ2 1 90 LEU QB 0.000 . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
211 1 34 TRP HZ2 1 90 LEU MD2 0.000 . 4.500 1.988 1.988 1.988 . 0 0 "[ ]" 1
212 1 34 TRP HZ2 1 90 LEU H 0.000 . 5.000 5.133 5.133 5.133 0.133 1 0 "[ ]" 1
213 1 34 TRP HZ3 1 52 ASP QB 0.000 . 7.000 5.532 5.532 5.532 . 0 0 "[ ]" 1
214 1 34 TRP HZ3 1 90 LEU QB 0.000 . 6.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
215 1 34 TRP HZ3 1 90 LEU MD1 0.000 . 5.500 2.073 2.073 2.073 . 0 0 "[ ]" 1
216 1 34 TRP HZ3 1 90 LEU MD2 0.000 . 5.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
217 1 34 TRP HZ3 1 90 LEU HG 0.000 . 6.000 3.118 3.118 3.118 . 0 0 "[ ]" 1
218 1 34 TRP HZ3 1 90 LEU H 0.000 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
219 1 35 ILE HA 1 36 ASP H 0.000 . 5.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
220 1 35 ILE HA 1 38 ARG H 0.000 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 1
221 1 35 ILE HA 1 39 LEU H 0.000 . 6.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
222 1 35 ILE HA 1 86 PHE QE 0.000 . 7.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
223 1 35 ILE HA 1 86 PHE HZ 0.000 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
224 1 35 ILE HB 1 36 ASP H 0.000 . 5.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
225 1 35 ILE MD 1 36 ASP H 0.000 . 6.500 3.569 3.569 3.569 . 0 0 "[ ]" 1
226 1 35 ILE MD 1 86 PHE HZ 0.000 . 5.500 1.959 1.959 1.959 . 0 0 "[ ]" 1
227 1 35 ILE MG 1 36 ASP HA 0.000 . 6.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
228 1 35 ILE MG 1 36 ASP H 0.000 . 4.500 1.807 1.807 1.807 . 0 0 "[ ]" 1
229 1 35 ILE MG 1 37 GLY H 0.000 . 7.500 4.124 4.124 4.124 . 0 0 "[ ]" 1
230 1 35 ILE MG 1 39 LEU MD1 0.000 . 8.000 5.209 5.209 5.209 . 0 0 "[ ]" 1
231 1 35 ILE MG 1 39 LEU H 0.000 . 6.500 4.549 4.549 4.549 . 0 0 "[ ]" 1
232 1 35 ILE H 1 36 ASP H 0.000 . 4.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
233 1 35 ILE H 1 37 GLY H 0.000 . 5.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
234 1 36 ASP HA 1 37 GLY H 0.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
235 1 36 ASP HA 1 39 LEU QB 0.000 . 6.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
236 1 36 ASP HA 1 39 LEU MD2 0.000 . 6.500 3.141 3.141 3.141 . 0 0 "[ ]" 1
237 1 36 ASP HA 1 39 LEU HG 0.000 . 6.000 5.601 5.601 5.601 . 0 0 "[ ]" 1
238 1 36 ASP HA 1 39 LEU H 0.000 . 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
239 1 36 ASP HA 1 40 GLU H 0.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
240 1 36 ASP H 1 36 ASP HB3 0.000 . 3.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
241 1 36 ASP HB3 1 37 GLY H 0.000 . 4.000 2.426 2.426 2.426 . 0 0 "[ ]" 1
242 1 36 ASP H 1 36 ASP HB2 0.000 . 3.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
243 1 36 ASP HB2 1 37 GLY H 0.000 . 4.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
244 1 36 ASP H 1 37 GLY H 0.000 . 4.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
245 1 37 GLY QA 1 38 ARG H 0.000 . 6.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
246 1 37 GLY QA 1 40 GLU H 0.000 . 7.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
247 1 37 GLY QA 1 41 GLU H 0.000 . 6.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
248 1 37 GLY H 1 39 LEU MD2 0.000 . 6.500 5.040 5.040 5.040 . 0 0 "[ ]" 1
249 1 37 GLY H 1 86 PHE QE 0.000 . 8.000 6.970 6.970 6.970 . 0 0 "[ ]" 1
250 1 38 ARG HA 1 38 ARG QD 0.000 . 5.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
251 1 38 ARG H 1 38 ARG HA 0.000 . 3.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
252 1 38 ARG HA 1 39 LEU H 0.000 . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
253 1 38 ARG HA 1 40 GLU H 0.000 . 4.000 4.039 4.039 4.039 0.039 1 0 "[ ]" 1
254 1 38 ARG HA 1 41 GLU QB 0.000 . 7.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
255 1 38 ARG HA 1 41 GLU H 0.000 . 6.000 3.408 3.408 3.408 . 0 0 "[ ]" 1
256 1 38 ARG HA 1 86 PHE QD 0.000 . 7.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
257 1 38 ARG HA 1 86 PHE QE 0.000 . 8.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
258 1 38 ARG QB 1 86 PHE QD 0.000 . 9.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
259 1 38 ARG QD 1 42 LEU MD2 0.000 . 7.500 4.973 4.973 4.973 . 0 0 "[ ]" 1
260 1 38 ARG H 1 39 LEU H 0.000 . 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 1
261 1 38 ARG H 1 40 GLU H 0.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
262 1 38 ARG H 1 42 LEU MD2 0.000 . 7.500 5.833 5.833 5.833 . 0 0 "[ ]" 1
263 1 38 ARG H 1 86 PHE QE 0.000 . 7.000 4.927 4.927 4.927 . 0 0 "[ ]" 1
264 1 39 LEU H 1 39 LEU HA 0.000 . 3.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
265 1 39 LEU HA 1 40 GLU H 0.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
266 1 39 LEU HA 1 42 LEU QB 0.000 . 6.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
267 1 39 LEU HA 1 42 LEU MD2 0.000 . 6.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
268 1 39 LEU HA 1 43 TYR QD 0.000 . 7.000 5.919 5.919 5.919 . 0 0 "[ ]" 1
269 1 39 LEU HA 1 44 ARG H 0.000 . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
270 1 39 LEU QB 1 40 GLU H 0.000 . 6.000 2.793 2.793 2.793 . 0 0 "[ ]" 1
271 1 39 LEU H 1 39 LEU HB3 0.000 . 4.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
272 1 39 LEU H 1 39 LEU HB2 0.000 . 4.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
273 1 39 LEU MD1 1 40 GLU H 0.000 . 6.500 4.207 4.207 4.207 . 0 0 "[ ]" 1
274 1 39 LEU MD1 1 42 LEU MD2 0.000 . 8.000 1.927 1.927 1.927 . 0 0 "[ ]" 1
275 1 39 LEU MD1 1 43 TYR QD 0.000 . 7.500 5.261 5.261 5.261 . 0 0 "[ ]" 1
276 1 39 LEU MD1 1 43 TYR QE 0.000 . 6.500 5.032 5.032 5.032 . 0 0 "[ ]" 1
277 1 39 LEU MD1 1 43 TYR H 0.000 . 7.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
278 1 39 LEU MD1 1 86 PHE QD 0.000 . 9.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
279 1 39 LEU MD1 1 86 PHE QE 0.000 . 8.500 1.623 1.623 1.623 . 0 0 "[ ]" 1
280 1 39 LEU MD1 1 86 PHE HZ 0.000 . 6.500 3.016 3.016 3.016 . 0 0 "[ ]" 1
281 1 39 LEU MD2 1 40 GLU H 0.000 . 6.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
282 1 39 LEU MD2 1 43 TYR QE 0.000 . 9.500 7.216 7.216 7.216 . 0 0 "[ ]" 1
283 1 39 LEU HG 1 86 PHE HZ 0.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
284 1 39 LEU H 1 40 GLU H 0.000 . 3.000 2.732 2.732 2.732 . 0 0 "[ ]" 1
285 1 39 LEU H 1 41 GLU H 0.000 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
286 1 39 LEU H 1 42 LEU MD2 0.000 . 6.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
287 1 39 LEU H 1 48 ALA MB 0.000 . 7.500 6.121 6.121 6.121 . 0 0 "[ ]" 1
288 1 40 GLU HA 1 40 GLU HG3 0.000 . 4.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
289 1 40 GLU HA 1 40 GLU HG2 0.000 . 4.000 3.714 3.714 3.714 . 0 0 "[ ]" 1
290 1 40 GLU H 1 40 GLU HA 0.000 . 3.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
291 1 40 GLU HA 1 41 GLU H 0.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
292 1 40 GLU H 1 40 GLU QB 0.000 . 3.600 2.160 2.160 2.160 . 0 0 "[ ]" 1
293 1 40 GLU QB 1 41 GLU H 0.000 . 6.000 2.581 2.581 2.581 . 0 0 "[ ]" 1
294 1 40 GLU H 1 41 GLU H 0.000 . 3.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
295 1 40 GLU H 1 42 LEU MD2 0.000 . 7.500 5.438 5.438 5.438 . 0 0 "[ ]" 1
296 1 40 GLU H 1 42 LEU H 0.000 . 6.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
297 1 41 GLU H 1 41 GLU HA 0.000 . 3.000 2.965 2.965 2.965 . 0 0 "[ ]" 1
298 1 41 GLU HA 1 42 LEU H 0.000 . 5.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
299 1 41 GLU QB 1 42 LEU H 0.000 . 4.000 1.922 1.922 1.922 . 0 0 "[ ]" 1
300 1 41 GLU QB 1 86 PHE H 0.000 . 6.000 5.170 5.170 5.170 . 0 0 "[ ]" 1
301 1 41 GLU H 1 41 GLU HB3 0.000 . 4.000 2.256 2.256 2.256 . 0 0 "[ ]" 1
302 1 41 GLU H 1 41 GLU HB2 0.000 . 4.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
303 1 41 GLU QG 1 42 LEU H 0.000 . 4.000 2.608 2.608 2.608 . 0 0 "[ ]" 1
304 1 41 GLU QG 1 43 TYR QD 0.000 . 8.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
305 1 41 GLU QG 1 43 TYR H 0.000 . 6.000 5.403 5.403 5.403 . 0 0 "[ ]" 1
306 1 41 GLU H 1 42 LEU QB 0.000 . 6.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
307 1 41 GLU H 1 42 LEU MD1 0.000 . 7.500 5.142 5.142 5.142 . 0 0 "[ ]" 1
308 1 41 GLU H 1 42 LEU MD2 0.000 . 7.500 5.144 5.144 5.144 . 0 0 "[ ]" 1
309 1 41 GLU H 1 42 LEU H 0.000 . 3.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
310 1 41 GLU H 1 43 TYR H 0.000 . 5.000 5.125 5.125 5.125 0.125 1 0 "[ ]" 1
311 1 41 GLU H 1 85 ASN QD 0.000 . 7.000 5.913 5.913 5.913 . 0 0 "[ ]" 1
312 1 42 LEU H 1 42 LEU HA 0.000 . 3.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
313 1 42 LEU HA 1 43 TYR H 0.000 . 4.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
314 1 42 LEU QB 1 43 TYR H 0.000 . 5.000 1.511 1.511 1.511 . 0 0 "[ ]" 1
315 1 42 LEU H 1 42 LEU MD1 0.000 . 5.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
316 1 42 LEU MD1 1 43 TYR QE 0.000 . 8.500 1.774 1.774 1.774 . 0 0 "[ ]" 1
317 1 42 LEU MD1 1 43 TYR H 0.000 . 6.500 4.004 4.004 4.004 . 0 0 "[ ]" 1
318 1 42 LEU MD1 1 81 ASN HB3 0.000 . 6.500 5.269 5.269 5.269 . 0 0 "[ ]" 1
319 1 42 LEU MD1 1 81 ASN HB2 0.000 . 6.500 4.701 4.701 4.701 . 0 0 "[ ]" 1
320 1 42 LEU MD1 1 81 ASN HD21 0.000 . 6.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
321 1 42 LEU MD1 1 81 ASN HD22 0.000 . 6.500 1.660 1.660 1.660 . 0 0 "[ ]" 1
322 1 42 LEU MD1 1 81 ASN H 0.000 . 6.500 3.646 3.646 3.646 . 0 0 "[ ]" 1
323 1 42 LEU MD1 1 83 THR HA 0.000 . 6.500 1.693 1.693 1.693 . 0 0 "[ ]" 1
324 1 42 LEU MD1 1 83 THR MG 0.000 . 8.000 1.714 1.714 1.714 . 0 0 "[ ]" 1
325 1 42 LEU MD1 1 86 PHE H 0.000 . 7.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
326 1 42 LEU H 1 42 LEU MD2 0.000 . 5.500 3.741 3.741 3.741 . 0 0 "[ ]" 1
327 1 42 LEU MD2 1 43 TYR QD 0.000 . 9.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
328 1 42 LEU MD2 1 43 TYR QE 0.000 . 8.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
329 1 42 LEU MD2 1 43 TYR H 0.000 . 7.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
330 1 42 LEU MD2 1 44 ARG H 0.000 . 7.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
331 1 42 LEU MD2 1 76 LEU MD1 0.000 . 8.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
332 1 42 LEU MD2 1 78 SER QB 0.000 . 8.500 6.085 6.085 6.085 . 0 0 "[ ]" 1
333 1 42 LEU MD2 1 83 THR HA 0.000 . 7.500 3.263 3.263 3.263 . 0 0 "[ ]" 1
334 1 42 LEU MD2 1 83 THR MG 0.000 . 8.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
335 1 42 LEU MD2 1 86 PHE HA 0.000 . 7.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
336 1 42 LEU MD2 1 86 PHE QD 0.000 . 7.500 1.693 1.693 1.693 . 0 0 "[ ]" 1
337 1 42 LEU MD2 1 86 PHE QE 0.000 . 8.500 2.519 2.519 2.519 . 0 0 "[ ]" 1
338 1 42 LEU MD2 1 86 PHE H 0.000 . 6.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
339 1 42 LEU MD2 1 86 PHE HZ 0.000 . 6.500 4.149 4.149 4.149 . 0 0 "[ ]" 1
340 1 42 LEU HG 1 43 TYR QE 0.000 . 7.000 2.410 2.410 2.410 . 0 0 "[ ]" 1
341 1 42 LEU HG 1 43 TYR H 0.000 . 5.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
342 1 42 LEU H 1 43 TYR QD 0.000 . 7.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
343 1 42 LEU H 1 43 TYR QE 0.000 . 8.000 5.620 5.620 5.620 . 0 0 "[ ]" 1
344 1 42 LEU H 1 43 TYR H 0.000 . 4.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
345 1 42 LEU H 1 81 ASN HD21 0.000 . 5.000 5.054 5.054 5.054 0.054 1 0 "[ ]" 1
346 1 42 LEU H 1 81 ASN HD22 0.000 . 5.000 4.802 4.802 4.802 . 0 0 "[ ]" 1
347 1 43 TYR H 1 43 TYR HA 0.000 . 3.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
348 1 43 TYR HA 1 44 ARG H 0.000 . 4.000 3.622 3.622 3.622 . 0 0 "[ ]" 1
349 1 43 TYR QB 1 44 ARG H 0.000 . 6.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
350 1 43 TYR H 1 43 TYR HB3 0.000 . 4.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
351 1 43 TYR H 1 43 TYR HB2 0.000 . 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 1
352 1 43 TYR H 1 43 TYR QD 0.000 . 5.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
353 1 43 TYR QD 1 46 ARG QG 0.000 . 8.000 1.829 1.829 1.829 . 0 0 "[ ]" 1
354 1 43 TYR QD 1 46 ARG H 0.000 . 7.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
355 1 43 TYR QD 1 47 GLU QG 0.000 . 8.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
356 1 43 TYR QD 1 49 ASP HA 0.000 . 8.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
357 1 43 TYR QD 1 49 ASP QB 0.000 . 7.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
358 1 43 TYR QD 1 49 ASP H 0.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
359 1 43 TYR QD 1 76 LEU MD1 0.000 . 8.500 6.320 6.320 6.320 . 0 0 "[ ]" 1
360 1 43 TYR QD 1 79 CYS H 0.000 . 8.000 6.774 6.774 6.774 . 0 0 "[ ]" 1
361 1 43 TYR QD 1 81 ASN QB 0.000 . 8.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
362 1 43 TYR QD 1 81 ASN H 0.000 . 8.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
363 1 43 TYR QE 1 44 ARG QD 0.000 . 8.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
364 1 43 TYR QE 1 46 ARG QB 0.000 . 9.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
365 1 43 TYR QE 1 46 ARG QG 0.000 . 8.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
366 1 43 TYR QE 1 47 GLU QB 0.000 . 8.000 2.461 2.461 2.461 . 0 0 "[ ]" 1
367 1 43 TYR QE 1 48 ALA HA 0.000 . 8.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
368 1 43 TYR QE 1 49 ASP HA 0.000 . 8.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
369 1 43 TYR QE 1 49 ASP QB 0.000 . 7.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
370 1 43 TYR QE 1 49 ASP H 0.000 . 7.000 1.923 1.923 1.923 . 0 0 "[ ]" 1
371 1 43 TYR QE 1 50 MET H 0.000 . 7.000 5.011 5.011 5.011 . 0 0 "[ ]" 1
372 1 43 TYR QE 1 76 LEU MD1 0.000 . 7.500 4.882 4.882 4.882 . 0 0 "[ ]" 1
373 1 43 TYR QE 1 76 LEU MD2 0.000 . 9.500 4.503 4.503 4.503 . 0 0 "[ ]" 1
374 1 43 TYR QE 1 78 SER QB 0.000 . 9.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
375 1 43 TYR QE 1 47 GLU HA 0.000 . 6.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
376 1 43 TYR QE 1 79 CYS QB 0.000 . 8.000 5.198 5.198 5.198 . 0 0 "[ ]" 1
377 1 43 TYR QE 1 79 CYS H 0.000 . 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
378 1 43 TYR QE 1 80 THR H 0.000 . 8.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
379 1 43 TYR QE 1 83 THR MG 0.000 . 9.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
380 1 43 TYR H 1 44 ARG HA 0.000 . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
381 1 43 TYR H 1 44 ARG QB 0.000 . 6.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
382 1 43 TYR H 1 44 ARG QG 0.000 . 7.000 5.566 5.566 5.566 . 0 0 "[ ]" 1
383 1 43 TYR H 1 44 ARG H 0.000 . 3.000 2.363 2.363 2.363 . 0 0 "[ ]" 1
384 1 43 TYR H 1 46 ARG QG 0.000 . 6.000 5.371 5.371 5.371 . 0 0 "[ ]" 1
385 1 44 ARG H 1 44 ARG HA 0.000 . 3.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
386 1 44 ARG HA 1 45 GLY H 0.000 . 3.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
387 1 44 ARG HA 1 46 ARG H 0.000 . 4.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
388 1 44 ARG HA 1 49 ASP H 0.000 . 6.000 3.189 3.189 3.189 . 0 0 "[ ]" 1
389 1 44 ARG QB 1 45 GLY H 0.000 . 5.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
390 1 44 ARG H 1 44 ARG QD 0.000 . 6.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
391 1 44 ARG QD 1 45 GLY H 0.000 . 4.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
392 1 44 ARG QD 1 50 MET H 0.000 . 5.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
393 1 44 ARG QG 1 45 GLY H 0.000 . 6.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
394 1 44 ARG QG 1 49 ASP H 0.000 . 7.000 5.766 5.766 5.766 . 0 0 "[ ]" 1
395 1 44 ARG H 1 45 GLY H 0.000 . 4.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
396 1 44 ARG H 1 46 ARG QB 0.000 . 7.000 5.852 5.852 5.852 . 0 0 "[ ]" 1
397 1 44 ARG H 1 46 ARG H 0.000 . 6.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
398 1 44 ARG H 1 47 GLU QB 0.000 . 6.000 5.173 5.173 5.173 . 0 0 "[ ]" 1
399 1 45 GLY QA 1 47 GLU H 0.000 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
400 1 45 GLY H 1 45 GLY HA3 0.000 . 3.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
401 1 45 GLY HA3 1 46 ARG H 0.000 . 4.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
402 1 45 GLY H 1 45 GLY HA2 0.000 . 3.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
403 1 45 GLY HA2 1 46 ARG H 0.000 . 4.000 3.239 3.239 3.239 . 0 0 "[ ]" 1
404 1 45 GLY H 1 46 ARG QB 0.000 . 6.000 4.706 4.706 4.706 . 0 0 "[ ]" 1
405 1 45 GLY H 1 46 ARG QD 0.000 . 6.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
406 1 45 GLY H 1 46 ARG QG 0.000 . 7.000 3.164 3.164 3.164 . 0 0 "[ ]" 1
407 1 45 GLY H 1 46 ARG H 0.000 . 3.000 1.839 1.839 1.839 . 0 0 "[ ]" 1
408 1 45 GLY H 1 47 GLU QG 0.000 . 7.000 6.118 6.118 6.118 . 0 0 "[ ]" 1
409 1 46 ARG H 1 46 ARG HA 0.000 . 3.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
410 1 46 ARG HA 1 47 GLU H 0.000 . 6.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
411 1 46 ARG QB 1 47 GLU H 0.000 . 6.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
412 1 46 ARG H 1 46 ARG QD 0.000 . 6.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
413 1 46 ARG QD 1 47 GLU H 0.000 . 6.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
414 1 46 ARG QD 1 49 ASP H 0.000 . 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
415 1 46 ARG QG 1 48 ALA H 0.000 . 6.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
416 1 46 ARG QG 1 49 ASP H 0.000 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
417 1 46 ARG H 1 47 GLU HA 0.000 . 6.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
418 1 46 ARG H 1 47 GLU QB 0.000 . 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
419 1 46 ARG H 1 47 GLU H 0.000 . 3.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
420 1 46 ARG H 1 48 ALA MB 0.000 . 7.500 5.086 5.086 5.086 . 0 0 "[ ]" 1
421 1 46 ARG H 1 48 ALA H 0.000 . 6.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
422 1 47 GLU HA 1 47 GLU HG3 0.000 . 4.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
423 1 47 GLU HA 1 47 GLU HG2 0.000 . 4.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
424 1 47 GLU H 1 47 GLU HA 0.000 . 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 1
425 1 47 GLU HA 1 48 ALA H 0.000 . 4.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
426 1 47 GLU HA 1 49 ASP H 0.000 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
427 1 47 GLU HA 1 50 MET H 0.000 . 5.500 5.523 5.523 5.523 0.023 1 0 "[ ]" 1
428 1 47 GLU QB 1 48 ALA H 0.000 . 6.000 1.804 1.804 1.804 . 0 0 "[ ]" 1
429 1 47 GLU QB 1 50 MET H 0.000 . 6.500 5.733 5.733 5.733 . 0 0 "[ ]" 1
430 1 47 GLU QB 1 78 SER H 0.000 . 7.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
431 1 47 GLU H 1 47 GLU HB3 0.000 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
432 1 47 GLU H 1 47 GLU HB2 0.000 . 4.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
433 1 47 GLU QG 1 49 ASP H 0.000 . 6.000 5.050 5.050 5.050 . 0 0 "[ ]" 1
434 1 47 GLU QG 1 48 ALA H 0.000 . 6.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
435 1 47 GLU H 1 47 GLU HG3 0.000 . 4.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
436 1 47 GLU H 1 47 GLU HG2 0.000 . 4.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
437 1 47 GLU H 1 48 ALA H 0.000 . 4.000 3.049 3.049 3.049 . 0 0 "[ ]" 1
438 1 47 GLU H 1 49 ASP H 0.000 . 5.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
439 1 47 GLU H 1 80 THR H 0.000 . 6.000 6.024 6.024 6.024 0.024 1 0 "[ ]" 1
440 1 47 GLU H 1 81 ASN QD 0.000 . 7.000 6.062 6.062 6.062 . 0 0 "[ ]" 1
441 1 44 ARG HA 1 47 GLU H 0.000 . 5.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
442 1 48 ALA H 1 48 ALA HA 0.000 . 3.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
443 1 48 ALA HA 1 49 ASP H 0.000 . 4.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
444 1 48 ALA HA 1 80 THR MG 0.000 . 7.500 5.526 5.526 5.526 . 0 0 "[ ]" 1
445 1 48 ALA MB 1 49 ASP H 0.000 . 4.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
446 1 48 ALA MB 1 50 MET ME 0.000 . 8.000 5.439 5.439 5.439 . 0 0 "[ ]" 1
447 1 48 ALA MB 1 79 CYS QB 0.000 . 7.500 5.332 5.332 5.332 . 0 0 "[ ]" 1
448 1 48 ALA MB 1 80 THR MG 0.000 . 7.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
449 1 48 ALA MB 1 86 PHE HZ 0.000 . 7.500 5.055 5.055 5.055 . 0 0 "[ ]" 1
450 1 48 ALA H 1 49 ASP QB 0.000 . 6.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
451 1 48 ALA H 1 49 ASP H 0.000 . 4.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
452 1 48 ALA H 1 50 MET H 0.000 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
453 1 49 ASP H 1 49 ASP HA 0.000 . 3.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
454 1 49 ASP HA 1 50 MET H 0.000 . 4.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
455 1 49 ASP H 1 49 ASP QB 0.000 . 3.600 2.199 2.199 2.199 . 0 0 "[ ]" 1
456 1 49 ASP QB 1 50 MET H 0.000 . 4.000 2.474 2.474 2.474 . 0 0 "[ ]" 1
457 1 49 ASP H 1 50 MET H 0.000 . 4.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
458 1 50 MET H 1 51 PRO QD 0.000 . 7.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
459 1 50 MET H 1 75 LEU HG 0.000 . 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 1
460 1 51 PRO HA 1 52 ASP H 0.000 . 5.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
461 1 51 PRO HA 1 75 LEU QD 0.000 . 8.400 3.644 3.644 3.644 . 0 0 "[ ]" 1
462 1 51 PRO HA 1 76 LEU MD1 0.000 . 6.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
463 1 51 PRO HB3 1 76 LEU MD1 0.000 . 7.500 6.297 6.297 6.297 . 0 0 "[ ]" 1
464 1 52 ASP HA 1 53 GLU H 0.000 . 5.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
465 1 52 ASP H 1 52 ASP QB 0.000 . 3.600 2.828 2.828 2.828 . 0 0 "[ ]" 1
466 1 52 ASP QB 1 86 PHE QE 0.000 . 9.000 2.146 2.146 2.146 . 0 0 "[ ]" 1
467 1 52 ASP HB3 1 53 GLU H 0.000 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
468 1 52 ASP HB3 1 86 PHE HZ 0.000 . 6.000 2.248 2.248 2.248 . 0 0 "[ ]" 1
469 1 52 ASP HB2 1 53 GLU H 0.000 . 5.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
470 1 52 ASP HB2 1 86 PHE HZ 0.000 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
471 1 52 ASP H 1 53 GLU H 0.000 . 5.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
472 1 52 ASP H 1 72 ILE MG 0.000 . 6.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
473 1 52 ASP H 1 75 LEU QD 0.000 . 7.400 3.860 3.860 3.860 . 0 0 "[ ]" 1
474 1 52 ASP H 1 76 LEU MD1 0.000 . 6.500 4.246 4.246 4.246 . 0 0 "[ ]" 1
475 1 53 GLU HA 1 54 VAL H 0.000 . 5.000 2.224 2.224 2.224 . 0 0 "[ ]" 1
476 1 53 GLU HA 1 55 ASN H 0.000 . 6.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
477 1 53 GLU QB 1 54 VAL H 0.000 . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
478 1 53 GLU H 1 53 GLU HB3 0.000 . 4.000 3.283 3.283 3.283 . 0 0 "[ ]" 1
479 1 53 GLU H 1 53 GLU HB2 0.000 . 4.000 4.033 4.033 4.033 0.033 1 0 "[ ]" 1
480 1 53 GLU H 1 54 VAL H 0.000 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
481 1 53 GLU H 1 55 ASN H 0.000 . 6.000 5.426 5.426 5.426 . 0 0 "[ ]" 1
482 1 53 GLU H 1 72 ILE MG 0.000 . 5.500 2.239 2.239 2.239 . 0 0 "[ ]" 1
483 1 53 GLU H 1 86 PHE QD 0.000 . 8.000 6.613 6.613 6.613 . 0 0 "[ ]" 1
484 1 53 GLU H 1 86 PHE QE 0.000 . 6.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
485 1 53 GLU H 1 90 LEU MD1 0.000 . 6.500 5.202 5.202 5.202 . 0 0 "[ ]" 1
486 1 54 VAL HA 1 55 ASN H 0.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
487 1 54 VAL H 1 54 VAL HB 0.000 . 4.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
488 1 54 VAL QG 1 55 ASN H 0.000 . 7.400 1.802 1.802 1.802 . 0 0 "[ ]" 1
489 1 54 VAL QG 1 68 ARG H 0.000 . 6.400 4.167 4.167 4.167 . 0 0 "[ ]" 1
490 1 54 VAL QG 1 75 LEU H 0.000 . 7.400 5.506 5.506 5.506 . 0 0 "[ ]" 1
491 1 55 ASN HA 1 55 ASN HB3 0.000 . 3.000 2.836 2.836 2.836 . 0 0 "[ ]" 1
492 1 55 ASN HA 1 55 ASN HB2 0.000 . 3.000 2.243 2.243 2.243 . 0 0 "[ ]" 1
493 1 55 ASN HA 1 57 ASP H 0.000 . 4.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
494 1 55 ASN HA 1 58 GLU H 0.000 . 6.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
495 1 55 ASN QB 1 56 ILE H 0.000 . 6.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
496 1 55 ASN QB 1 57 ASP H 0.000 . 6.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
497 1 55 ASN QB 1 58 GLU H 0.000 . 6.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
498 1 55 ASN QB 1 68 ARG QB 0.000 . 7.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
499 1 55 ASN H 1 55 ASN HB3 0.000 . 3.700 1.973 1.973 1.973 . 0 0 "[ ]" 1
500 1 55 ASN H 1 55 ASN HB2 0.000 . 3.700 3.126 3.126 3.126 . 0 0 "[ ]" 1
501 1 55 ASN QD 1 57 ASP H 0.000 . 6.000 4.943 4.943 4.943 . 0 0 "[ ]" 1
502 1 55 ASN QD 1 68 ARG QB 0.000 . 7.000 5.321 5.321 5.321 . 0 0 "[ ]" 1
503 1 56 ILE HA 1 58 GLU H 0.000 . 6.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
504 1 56 ILE HA 1 59 LEU H 0.000 . 4.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
505 1 56 ILE H 1 56 ILE HB 0.000 . 4.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
506 1 56 ILE HB 1 57 ASP H 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
507 1 56 ILE HB 1 60 LEU QD 0.000 . 7.400 4.026 4.026 4.026 . 0 0 "[ ]" 1
508 1 56 ILE MD 1 57 ASP H 0.000 . 5.500 1.438 1.438 1.438 . 0 0 "[ ]" 1
509 1 56 ILE QG 1 57 ASP H 0.000 . 6.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
510 1 56 ILE MG 1 57 ASP H 0.000 . 5.500 3.806 3.806 3.806 . 0 0 "[ ]" 1
511 1 56 ILE MG 1 60 LEU H 0.000 . 6.500 5.220 5.220 5.220 . 0 0 "[ ]" 1
512 1 56 ILE MG 1 94 LEU QD 0.000 . 8.900 4.020 4.020 4.020 . 0 0 "[ ]" 1
513 1 56 ILE H 1 57 ASP H 0.000 . 3.000 3.025 3.025 3.025 0.025 1 0 "[ ]" 1
514 1 56 ILE H 1 58 GLU H 0.000 . 6.000 5.022 5.022 5.022 . 0 0 "[ ]" 1
515 1 57 ASP H 1 57 ASP HA 0.000 . 3.000 2.833 2.833 2.833 . 0 0 "[ ]" 1
516 1 57 ASP HA 1 58 GLU H 0.000 . 4.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
517 1 57 ASP HA 1 59 LEU H 0.000 . 6.000 5.246 5.246 5.246 . 0 0 "[ ]" 1
518 1 57 ASP HA 1 60 LEU QB 0.000 . 7.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
519 1 57 ASP HA 1 60 LEU H 0.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
520 1 57 ASP HA 1 61 GLU H 0.000 . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
521 1 57 ASP H 1 57 ASP HB3 0.000 . 4.000 2.435 2.435 2.435 . 0 0 "[ ]" 1
522 1 57 ASP HB3 1 58 GLU H 0.000 . 4.000 2.231 2.231 2.231 . 0 0 "[ ]" 1
523 1 57 ASP H 1 57 ASP HB2 0.000 . 4.000 2.446 2.446 2.446 . 0 0 "[ ]" 1
524 1 57 ASP HB2 1 58 GLU H 0.000 . 4.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
525 1 57 ASP H 1 58 GLU H 0.000 . 3.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
526 1 57 ASP H 1 59 LEU H 0.000 . 5.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
527 1 58 GLU H 1 58 GLU HA 0.000 . 3.000 2.845 2.845 2.845 . 0 0 "[ ]" 1
528 1 58 GLU HA 1 61 GLU H 0.000 . 6.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
529 1 58 GLU QB 1 59 LEU H 0.000 . 6.000 2.087 2.087 2.087 . 0 0 "[ ]" 1
530 1 58 GLU H 1 58 GLU HB3 0.000 . 4.000 3.079 3.079 3.079 . 0 0 "[ ]" 1
531 1 58 GLU H 1 58 GLU HB2 0.000 . 4.000 1.917 1.917 1.917 . 0 0 "[ ]" 1
532 1 58 GLU H 1 59 LEU H 0.000 . 3.000 2.994 2.994 2.994 . 0 0 "[ ]" 1
533 1 58 GLU H 1 60 LEU H 0.000 . 6.000 3.919 3.919 3.919 . 0 0 "[ ]" 1
534 1 58 GLU H 1 68 ARG H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
535 1 59 LEU HA 1 60 LEU H 0.000 . 6.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
536 1 59 LEU H 1 59 LEU QB 0.000 . 3.600 2.140 2.140 2.140 . 0 0 "[ ]" 1
537 1 59 LEU QB 1 60 LEU H 0.000 . 5.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
538 1 59 LEU QB 1 94 LEU H 0.000 . 6.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
539 1 59 LEU QB 1 98 HIS HA 0.000 . 7.000 5.853 5.853 5.853 . 0 0 "[ ]" 1
540 1 59 LEU H 1 59 LEU MD1 0.000 . 5.500 4.028 4.028 4.028 . 0 0 "[ ]" 1
541 1 59 LEU H 1 59 LEU MD2 0.000 . 5.500 2.974 2.974 2.974 . 0 0 "[ ]" 1
542 1 59 LEU HG 1 97 LEU H 0.000 . 6.000 6.003 6.003 6.003 0.003 1 0 "[ ]" 1
543 1 59 LEU H 1 60 LEU H 0.000 . 3.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
544 1 59 LEU H 1 66 GLU HA 0.000 . 4.000 4.037 4.037 4.037 0.037 1 0 "[ ]" 1
545 1 60 LEU HA 1 60 LEU HB3 0.000 . 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 1
546 1 60 LEU HA 1 60 LEU HB2 0.000 . 3.000 2.335 2.335 2.335 . 0 0 "[ ]" 1
547 1 60 LEU HA 1 61 GLU H 0.000 . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
548 1 60 LEU H 1 60 LEU QB 0.000 . 3.600 2.090 2.090 2.090 . 0 0 "[ ]" 1
549 1 60 LEU QB 1 61 GLU H 0.000 . 4.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
550 1 60 LEU QD 1 61 GLU H 0.000 . 7.400 2.120 2.120 2.120 . 0 0 "[ ]" 1
551 1 60 LEU H 1 60 LEU MD1 0.000 . 5.500 4.307 4.307 4.307 . 0 0 "[ ]" 1
552 1 60 LEU H 1 60 LEU MD2 0.000 . 5.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
553 1 60 LEU H 1 61 GLU H 0.000 . 3.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
554 1 61 GLU HA 1 62 LEU H 0.000 . 3.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
555 1 61 GLU QB 1 62 LEU HA 0.000 . 5.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
556 1 61 GLU QG 1 62 LEU H 0.000 . 6.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
557 1 61 GLU H 1 62 LEU QD 0.000 . 7.400 3.845 3.845 3.845 . 0 0 "[ ]" 1
558 1 61 GLU H 1 62 LEU H 0.000 . 4.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
559 1 61 GLU H 1 97 LEU MD1 0.000 . 7.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
560 1 62 LEU HA 1 62 LEU HG 0.000 . 4.000 1.980 1.980 1.980 . 0 0 "[ ]" 1
561 1 62 LEU H 1 62 LEU HA 0.000 . 3.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
562 1 62 LEU HA 1 63 GLU H 0.000 . 4.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
563 1 62 LEU HA 1 64 SER H 0.000 . 5.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
564 1 62 LEU QB 1 63 GLU H 0.000 . 5.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
565 1 62 LEU QB 1 64 SER H 0.000 . 7.000 2.113 2.113 2.113 . 0 0 "[ ]" 1
566 1 62 LEU H 1 62 LEU HB3 0.000 . 4.000 3.113 3.113 3.113 . 0 0 "[ ]" 1
567 1 62 LEU H 1 62 LEU HB2 0.000 . 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
568 1 62 LEU QD 1 63 GLU H 0.000 . 6.400 3.703 3.703 3.703 . 0 0 "[ ]" 1
569 1 62 LEU QD 1 64 SER H 0.000 . 6.400 2.506 2.506 2.506 . 0 0 "[ ]" 1
570 1 62 LEU QD 1 67 GLU H 0.000 . 7.400 4.208 4.208 4.208 . 0 0 "[ ]" 1
571 1 62 LEU H 1 62 LEU MD1 0.000 . 5.500 4.273 4.273 4.273 . 0 0 "[ ]" 1
572 1 62 LEU H 1 62 LEU HG 0.000 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
573 1 62 LEU HG 1 63 GLU H 0.000 . 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
574 1 62 LEU HG 1 64 SER H 0.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
575 1 62 LEU H 1 63 GLU H 0.000 . 5.000 2.022 2.022 2.022 . 0 0 "[ ]" 1
576 1 62 LEU H 1 64 SER QB 0.000 . 7.000 5.479 5.479 5.479 . 0 0 "[ ]" 1
577 1 62 LEU H 1 97 LEU MD1 0.000 . 6.500 5.187 5.187 5.187 . 0 0 "[ ]" 1
578 1 62 LEU H 1 97 LEU MD2 0.000 . 5.500 4.346 4.346 4.346 . 0 0 "[ ]" 1
579 1 62 LEU H 1 98 HIS HE1 0.000 . 5.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
580 1 63 GLU H 1 63 GLU HA 0.000 . 3.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
581 1 63 GLU HA 1 64 SER H 0.000 . 4.000 3.148 3.148 3.148 . 0 0 "[ ]" 1
582 1 63 GLU QB 1 64 SER H 0.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
583 1 63 GLU H 1 63 GLU QG 0.000 . 5.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
584 1 63 GLU H 1 64 SER HA 0.000 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 1
585 1 63 GLU H 1 64 SER H 0.000 . 3.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
586 1 63 GLU H 1 97 LEU MD2 0.000 . 7.500 4.748 4.748 4.748 . 0 0 "[ ]" 1
587 1 64 SER HA 1 64 SER HB3 0.000 . 3.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
588 1 64 SER HA 1 64 SER HB2 0.000 . 3.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
589 1 64 SER H 1 64 SER HA 0.000 . 3.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
590 1 64 SER HA 1 67 GLU H 0.000 . 6.000 5.847 5.847 5.847 . 0 0 "[ ]" 1
591 1 64 SER QB 1 67 GLU H 0.000 . 6.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
592 1 64 SER H 1 64 SER HB3 0.000 . 4.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
593 1 64 SER HB3 1 67 GLU HB3 0.000 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
594 1 64 SER H 1 64 SER HB2 0.000 . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
595 1 64 SER HB2 1 67 GLU HB2 0.000 . 5.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
596 1 64 SER H 1 98 HIS HE1 0.000 . 6.000 2.022 2.022 2.022 . 0 0 "[ ]" 1
597 1 65 GLU HA 1 65 GLU HG3 0.000 . 4.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
598 1 65 GLU HA 1 65 GLU HG2 0.000 . 4.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
599 1 65 GLU HA 1 66 GLU H 0.000 . 5.000 2.304 2.304 2.304 . 0 0 "[ ]" 1
600 1 65 GLU QB 1 98 HIS HD2 0.000 . 7.000 6.292 6.292 6.292 . 0 0 "[ ]" 1
601 1 66 GLU H 1 66 GLU HA 0.000 . 3.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
602 1 66 GLU HA 1 67 GLU H 0.000 . 4.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
603 1 66 GLU HA 1 68 ARG H 0.000 . 4.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
604 1 66 GLU HA 1 69 SER H 0.000 . 6.000 3.461 3.461 3.461 . 0 0 "[ ]" 1
605 1 66 GLU QB 1 67 GLU H 0.000 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
606 1 66 GLU H 1 66 GLU HB3 0.000 . 4.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
607 1 66 GLU H 1 66 GLU HB2 0.000 . 4.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
608 1 66 GLU H 1 67 GLU H 0.000 . 4.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
609 1 66 GLU H 1 68 ARG H 0.000 . 6.000 5.990 5.990 5.990 . 0 0 "[ ]" 1
610 1 67 GLU HA 1 70 ARG H 0.000 . 6.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
611 1 67 GLU QB 1 68 ARG H 0.000 . 7.000 2.402 2.402 2.402 . 0 0 "[ ]" 1
612 1 67 GLU H 1 67 GLU HB3 0.000 . 4.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
613 1 67 GLU H 1 67 GLU HB2 0.000 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
614 1 67 GLU H 1 68 ARG H 0.000 . 3.000 2.664 2.664 2.664 . 0 0 "[ ]" 1
615 1 67 GLU H 1 69 SER H 0.000 . 6.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
616 1 68 ARG H 1 68 ARG HA 0.000 . 3.000 2.861 2.861 2.861 . 0 0 "[ ]" 1
617 1 68 ARG HA 1 69 SER H 0.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
618 1 68 ARG HA 1 71 LYS H 0.000 . 4.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
619 1 68 ARG QB 1 69 SER H 0.000 . 6.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
620 1 68 ARG QG 1 69 SER H 0.000 . 6.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
621 1 68 ARG H 1 69 SER H 0.000 . 3.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
622 1 68 ARG H 1 70 ARG H 0.000 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
623 1 69 SER HA 1 70 ARG H 0.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
624 1 69 SER HA 1 72 ILE H 0.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
625 1 69 SER QB 1 70 ARG H 0.000 . 6.000 3.298 3.298 3.298 . 0 0 "[ ]" 1
626 1 69 SER H 1 70 ARG H 0.000 . 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
627 1 69 SER H 1 71 LYS H 0.000 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
628 1 70 ARG H 1 70 ARG HA 0.000 . 3.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
629 1 70 ARG HA 1 71 LYS H 0.000 . 4.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
630 1 70 ARG HA 1 73 GLN QB 0.000 . 7.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
631 1 70 ARG HA 1 73 GLN H 0.000 . 4.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
632 1 70 ARG QB 1 71 LYS H 0.000 . 5.000 2.805 2.805 2.805 . 0 0 "[ ]" 1
633 1 70 ARG QB 1 74 GLY H 0.000 . 6.000 5.089 5.089 5.089 . 0 0 "[ ]" 1
634 1 70 ARG H 1 70 ARG QD 0.000 . 6.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
635 1 70 ARG H 1 70 ARG HE 0.000 . 6.000 5.927 5.927 5.927 . 0 0 "[ ]" 1
636 1 70 ARG QG 1 73 GLN QE 0.000 . 8.000 5.329 5.329 5.329 . 0 0 "[ ]" 1
637 1 70 ARG QG 1 87 VAL MG1 0.000 . 6.500 4.895 4.895 4.895 . 0 0 "[ ]" 1
638 1 70 ARG H 1 72 ILE H 0.000 . 5.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
639 1 71 LYS H 1 71 LYS HA 0.000 . 3.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
640 1 71 LYS HA 1 72 ILE H 0.000 . 6.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
641 1 71 LYS HA 1 74 GLY H 0.000 . 4.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
642 1 71 LYS QB 1 72 ILE H 0.000 . 6.000 2.118 2.118 2.118 . 0 0 "[ ]" 1
643 1 71 LYS H 1 71 LYS QG 0.000 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
644 1 71 LYS H 1 72 ILE H 0.000 . 3.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
645 1 71 LYS H 1 73 GLN H 0.000 . 6.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
646 1 72 ILE HA 1 72 ILE MD 0.000 . 4.500 3.732 3.732 3.732 . 0 0 "[ ]" 1
647 1 72 ILE HA 1 73 GLN H 0.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
648 1 72 ILE HA 1 74 GLY H 0.000 . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
649 1 72 ILE HA 1 75 LEU QB 0.000 . 6.000 3.051 3.051 3.051 . 0 0 "[ ]" 1
650 1 72 ILE HA 1 75 LEU QD 0.000 . 8.400 3.701 3.701 3.701 . 0 0 "[ ]" 1
651 1 72 ILE HA 1 75 LEU H 0.000 . 4.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
652 1 72 ILE H 1 72 ILE HB 0.000 . 4.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
653 1 72 ILE HB 1 74 GLY H 0.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
654 1 72 ILE MD 1 75 LEU H 0.000 . 6.500 5.158 5.158 5.158 . 0 0 "[ ]" 1
655 1 72 ILE MD 1 73 GLN QE 0.000 . 8.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
656 1 72 ILE MD 1 73 GLN H 0.000 . 6.500 1.779 1.779 1.779 . 0 0 "[ ]" 1
657 1 72 ILE MD 1 86 PHE QE 0.000 . 7.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
658 1 72 ILE MD 1 91 LEU H 0.000 . 7.500 4.021 4.021 4.021 . 0 0 "[ ]" 1
659 1 72 ILE H 1 72 ILE QG 0.000 . 5.000 1.682 1.682 1.682 . 0 0 "[ ]" 1
660 1 72 ILE MG 1 73 GLN H 0.000 . 6.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
661 1 72 ILE MG 1 86 PHE HZ 0.000 . 5.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
662 1 72 ILE H 1 73 GLN H 0.000 . 4.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
663 1 72 ILE H 1 75 LEU H 0.000 . 5.000 4.989 4.989 4.989 . 0 0 "[ ]" 1
664 1 73 GLN H 1 73 GLN HA 0.000 . 3.000 2.861 2.861 2.861 . 0 0 "[ ]" 1
665 1 73 GLN HA 1 74 GLY H 0.000 . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
666 1 73 GLN HA 1 76 LEU QB 0.000 . 6.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
667 1 73 GLN HA 1 76 LEU H 0.000 . 4.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
668 1 73 GLN QB 1 74 GLY H 0.000 . 6.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
669 1 73 GLN QB 1 87 VAL MG1 0.000 . 7.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
670 1 73 GLN QB 1 87 VAL MG2 0.000 . 7.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
671 1 73 GLN H 1 73 GLN HB3 0.000 . 4.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
672 1 73 GLN H 1 73 GLN HB2 0.000 . 4.000 1.991 1.991 1.991 . 0 0 "[ ]" 1
673 1 73 GLN QE 1 74 GLY QA 0.000 . 7.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
674 1 73 GLN QE 1 76 LEU QB 0.000 . 8.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
675 1 73 GLN QE 1 87 VAL MG1 0.000 . 7.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
676 1 73 GLN QE 1 87 VAL MG2 0.000 . 7.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
677 1 73 GLN H 1 74 GLY H 0.000 . 3.000 2.549 2.549 2.549 . 0 0 "[ ]" 1
678 1 73 GLN H 1 75 LEU H 0.000 . 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
679 1 74 GLY QA 1 77 LYS QB 0.000 . 8.000 2.530 2.530 2.530 . 0 0 "[ ]" 1
680 1 74 GLY QA 1 77 LYS H 0.000 . 6.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
681 1 74 GLY H 1 74 GLY HA3 0.000 . 3.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
682 1 74 GLY HA3 1 75 LEU H 0.000 . 4.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
683 1 74 GLY H 1 74 GLY HA2 0.000 . 3.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
684 1 74 GLY HA2 1 75 LEU H 0.000 . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
685 1 74 GLY H 1 75 LEU QD 0.000 . 7.400 5.320 5.320 5.320 . 0 0 "[ ]" 1
686 1 74 GLY H 1 75 LEU H 0.000 . 3.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
687 1 74 GLY H 1 76 LEU H 0.000 . 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
688 1 75 LEU HA 1 75 LEU HB3 0.000 . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1
689 1 75 LEU HA 1 75 LEU HB2 0.000 . 3.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
690 1 75 LEU H 1 75 LEU HA 0.000 . 3.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
691 1 75 LEU HA 1 76 LEU H 0.000 . 4.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
692 1 75 LEU HA 1 77 LYS H 0.000 . 4.000 4.017 4.017 4.017 0.017 1 0 "[ ]" 1
693 1 75 LEU QB 1 76 LEU H 0.000 . 5.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
694 1 75 LEU QD 1 76 LEU H 0.000 . 6.400 2.989 2.989 2.989 . 0 0 "[ ]" 1
695 1 75 LEU QD 1 77 LYS H 0.000 . 7.400 4.480 4.480 4.480 . 0 0 "[ ]" 1
696 1 75 LEU H 1 76 LEU H 0.000 . 3.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
697 1 75 LEU H 1 77 LYS H 0.000 . 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
698 1 76 LEU HA 1 77 LYS H 0.000 . 4.000 3.391 3.391 3.391 . 0 0 "[ ]" 1
699 1 76 LEU HA 1 83 THR MG 0.000 . 6.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
700 1 76 LEU QB 1 77 LYS H 0.000 . 7.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
701 1 76 LEU QB 1 79 CYS H 0.000 . 6.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
702 1 76 LEU QB 1 86 PHE QD 0.000 . 8.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
703 1 76 LEU QB 1 86 PHE QE 0.000 . 9.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
704 1 76 LEU H 1 76 LEU MD1 0.000 . 5.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
705 1 76 LEU MD1 1 77 LYS H 0.000 . 6.500 4.485 4.485 4.485 . 0 0 "[ ]" 1
706 1 76 LEU MD1 1 79 CYS H 0.000 . 6.500 5.211 5.211 5.211 . 0 0 "[ ]" 1
707 1 76 LEU MD1 1 86 PHE QE 0.000 . 8.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
708 1 76 LEU H 1 76 LEU MD2 0.000 . 5.500 4.180 4.180 4.180 . 0 0 "[ ]" 1
709 1 76 LEU MD2 1 80 THR MG 0.000 . 8.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
710 1 76 LEU MD2 1 83 THR HA 0.000 . 7.500 3.668 3.668 3.668 . 0 0 "[ ]" 1
711 1 76 LEU MD2 1 83 THR MG 0.000 . 8.000 2.097 2.097 2.097 . 0 0 "[ ]" 1
712 1 76 LEU MD2 1 86 PHE QD 0.000 . 8.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
713 1 76 LEU H 1 76 LEU HG 0.000 . 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
714 1 76 LEU HG 1 86 PHE QD 0.000 . 8.000 4.747 4.747 4.747 . 0 0 "[ ]" 1
715 1 76 LEU H 1 77 LYS H 0.000 . 3.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
716 1 77 LYS H 1 77 LYS HA 0.000 . 3.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
717 1 77 LYS HA 1 78 SER H 0.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
718 1 77 LYS QB 1 78 SER H 0.000 . 6.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
719 1 77 LYS QB 1 79 CYS H 0.000 . 6.000 5.207 5.207 5.207 . 0 0 "[ ]" 1
720 1 77 LYS H 1 77 LYS QD 0.000 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
721 1 77 LYS H 1 77 LYS QG 0.000 . 5.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
722 1 77 LYS QG 1 78 SER H 0.000 . 7.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
723 1 77 LYS H 1 78 SER HA 0.000 . 6.000 5.672 5.672 5.672 . 0 0 "[ ]" 1
724 1 77 LYS H 1 78 SER H 0.000 . 4.000 3.112 3.112 3.112 . 0 0 "[ ]" 1
725 1 77 LYS H 1 79 CYS H 0.000 . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
726 1 78 SER HA 1 79 CYS H 0.000 . 4.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
727 1 78 SER H 1 79 CYS H 0.000 . 4.000 3.125 3.125 3.125 . 0 0 "[ ]" 1
728 1 79 CYS H 1 79 CYS HA 0.000 . 3.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
729 1 79 CYS HA 1 80 THR H 0.000 . 6.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
730 1 79 CYS H 1 79 CYS QB 0.000 . 3.600 2.901 2.901 2.901 . 0 0 "[ ]" 1
731 1 79 CYS H 1 80 THR MG 0.000 . 6.500 3.798 3.798 3.798 . 0 0 "[ ]" 1
732 1 79 CYS H 1 80 THR H 0.000 . 6.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
733 1 79 CYS H 1 83 THR MG 0.000 . 6.500 3.048 3.048 3.048 . 0 0 "[ ]" 1
734 1 80 THR HA 1 81 ASN H 0.000 . 4.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
735 1 80 THR H 1 80 THR HB 0.000 . 4.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
736 1 80 THR MG 1 81 ASN H 0.000 . 6.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
737 1 80 THR MG 1 83 THR HA 0.000 . 7.500 5.215 5.215 5.215 . 0 0 "[ ]" 1
738 1 80 THR MG 1 86 PHE QD 0.000 . 9.500 6.909 6.909 6.909 . 0 0 "[ ]" 1
739 1 80 THR H 1 81 ASN H 0.000 . 4.000 1.846 1.846 1.846 . 0 0 "[ ]" 1
740 1 80 THR H 1 83 THR MG 0.000 . 7.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
741 1 81 ASN H 1 81 ASN HA 0.000 . 3.000 2.934 2.934 2.934 . 0 0 "[ ]" 1
742 1 81 ASN HA 1 82 PRO QD 0.000 . 6.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
743 1 81 ASN HA 1 82 PRO QG 0.000 . 7.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
744 1 81 ASN HA 1 84 GLU QB 0.000 . 7.000 6.074 6.074 6.074 . 0 0 "[ ]" 1
745 1 81 ASN QB 1 82 PRO QD 0.000 . 8.000 1.438 1.438 1.438 . 0 0 "[ ]" 1
746 1 81 ASN QB 1 83 THR H 0.000 . 6.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
747 1 81 ASN H 1 81 ASN HD21 0.000 . 6.000 2.633 2.633 2.633 . 0 0 "[ ]" 1
748 1 81 ASN H 1 81 ASN HD22 0.000 . 6.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
749 1 81 ASN H 1 82 PRO QD 0.000 . 6.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
750 1 81 ASN H 1 83 THR MG 0.000 . 7.500 3.713 3.713 3.713 . 0 0 "[ ]" 1
751 1 82 PRO QB 1 83 THR HA 0.000 . 6.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
752 1 82 PRO QB 1 83 THR H 0.000 . 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
753 1 82 PRO QG 1 83 THR HA 0.000 . 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
754 1 82 PRO QG 1 83 THR H 0.000 . 6.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
755 1 82 PRO QG 1 84 GLU QB 0.000 . 7.000 5.619 5.619 5.619 . 0 0 "[ ]" 1
756 1 83 THR HA 1 84 GLU QB 0.000 . 6.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
757 1 83 THR HA 1 84 GLU H 0.000 . 3.700 3.508 3.508 3.508 . 0 0 "[ ]" 1
758 1 83 THR HA 1 86 PHE QB 0.000 . 6.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
759 1 83 THR HA 1 87 VAL H 0.000 . 6.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
760 1 83 THR H 1 83 THR MG 0.000 . 4.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
761 1 83 THR MG 1 84 GLU H 0.000 . 6.500 4.139 4.139 4.139 . 0 0 "[ ]" 1
762 1 83 THR MG 1 86 PHE QD 0.000 . 8.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
763 1 83 THR MG 1 87 VAL MG1 0.000 . 8.000 4.810 4.810 4.810 . 0 0 "[ ]" 1
764 1 83 THR H 1 84 GLU H 0.000 . 3.700 2.844 2.844 2.844 . 0 0 "[ ]" 1
765 1 84 GLU H 1 84 GLU HA 0.000 . 3.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
766 1 84 GLU HA 1 85 ASN H 0.000 . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
767 1 84 GLU HA 1 86 PHE H 0.000 . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
768 1 84 GLU HA 1 87 VAL MG1 0.000 . 5.500 4.566 4.566 4.566 . 0 0 "[ ]" 1
769 1 84 GLU HA 1 87 VAL H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
770 1 84 GLU H 1 84 GLU HG3 0.000 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
771 1 84 GLU H 1 84 GLU HG2 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
772 1 84 GLU H 1 85 ASN QB 0.000 . 6.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
773 1 84 GLU H 1 86 PHE H 0.000 . 6.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
774 1 85 ASN HA 1 88 GLN H 0.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
775 1 85 ASN QB 1 86 PHE H 0.000 . 4.000 2.330 2.330 2.330 . 0 0 "[ ]" 1
776 1 85 ASN H 1 86 PHE HA 0.000 . 6.000 5.329 5.329 5.329 . 0 0 "[ ]" 1
777 1 85 ASN H 1 86 PHE H 0.000 . 5.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
778 1 86 PHE H 1 86 PHE HA 0.000 . 3.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
779 1 86 PHE HA 1 87 VAL H 0.000 . 4.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
780 1 86 PHE HA 1 89 GLU QB 0.000 . 6.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
781 1 86 PHE HA 1 89 GLU H 0.000 . 4.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
782 1 86 PHE QB 1 87 VAL H 0.000 . 5.000 2.190 2.190 2.190 . 0 0 "[ ]" 1
783 1 86 PHE H 1 86 PHE HB3 0.000 . 4.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
784 1 86 PHE H 1 86 PHE HB2 0.000 . 4.000 2.035 2.035 2.035 . 0 0 "[ ]" 1
785 1 86 PHE QD 1 87 VAL MG1 0.000 . 8.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
786 1 86 PHE QD 1 90 LEU H 0.000 . 6.000 4.316 4.316 4.316 . 0 0 "[ ]" 1
787 1 86 PHE QE 1 90 LEU MD2 0.000 . 7.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
788 1 86 PHE QE 1 90 LEU HG 0.000 . 7.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
789 1 86 PHE H 1 87 VAL MG2 0.000 . 6.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
790 1 86 PHE H 1 87 VAL H 0.000 . 3.000 3.029 3.029 3.029 0.029 1 0 "[ ]" 1
791 1 86 PHE H 1 88 GLN H 0.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
792 1 87 VAL HA 1 88 GLN H 0.000 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
793 1 87 VAL HA 1 89 GLU QB 0.000 . 7.000 5.018 5.018 5.018 . 0 0 "[ ]" 1
794 1 87 VAL HA 1 90 LEU H 0.000 . 6.000 4.125 4.125 4.125 . 0 0 "[ ]" 1
795 1 87 VAL H 1 87 VAL HB 0.000 . 4.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
796 1 87 VAL HB 1 88 GLN H 0.000 . 6.000 2.356 2.356 2.356 . 0 0 "[ ]" 1
797 1 87 VAL MG1 1 88 GLN H 0.000 . 5.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
798 1 87 VAL MG1 1 91 LEU H 0.000 . 6.500 4.638 4.638 4.638 . 0 0 "[ ]" 1
799 1 87 VAL MG2 1 88 GLN H 0.000 . 5.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
800 1 87 VAL H 1 88 GLN H 0.000 . 4.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
801 1 88 GLN HA 1 91 LEU H 0.000 . 6.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
802 1 88 GLN QB 1 89 GLU H 0.000 . 6.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
803 1 88 GLN H 1 88 GLN QG 0.000 . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 1
804 1 88 GLN QG 1 92 VAL MG1 0.000 . 7.500 4.965 4.965 4.965 . 0 0 "[ ]" 1
805 1 88 GLN QG 1 92 VAL MG2 0.000 . 7.500 3.192 3.192 3.192 . 0 0 "[ ]" 1
806 1 88 GLN H 1 89 GLU H 0.000 . 3.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
807 1 88 GLN H 1 90 LEU H 0.000 . 6.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
808 1 88 GLN H 1 91 LEU MD2 0.000 . 6.500 5.170 5.170 5.170 . 0 0 "[ ]" 1
809 1 89 GLU HA 1 91 LEU QB 0.000 . 7.000 4.958 4.958 4.958 . 0 0 "[ ]" 1
810 1 89 GLU HA 1 92 VAL MG1 0.000 . 5.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
811 1 89 GLU HA 1 92 VAL MG2 0.000 . 5.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
812 1 89 GLU HA 1 92 VAL H 0.000 . 5.000 3.287 3.287 3.287 . 0 0 "[ ]" 1
813 1 89 GLU HB3 1 90 LEU H 0.000 . 6.000 2.063 2.063 2.063 . 0 0 "[ ]" 1
814 1 89 GLU HB2 1 90 LEU H 0.000 . 6.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
815 1 89 GLU H 1 89 GLU QG 0.000 . 5.000 4.030 4.030 4.030 . 0 0 "[ ]" 1
816 1 89 GLU QG 1 92 VAL MG1 0.000 . 7.500 4.275 4.275 4.275 . 0 0 "[ ]" 1
817 1 89 GLU H 1 90 LEU H 0.000 . 3.000 2.897 2.897 2.897 . 0 0 "[ ]" 1
818 1 90 LEU H 1 90 LEU HA 0.000 . 3.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
819 1 90 LEU HA 1 91 LEU H 0.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
820 1 90 LEU HA 1 93 LYS H 0.000 . 5.000 3.780 3.780 3.780 . 0 0 "[ ]" 1
821 1 90 LEU QB 1 91 LEU H 0.000 . 6.000 2.414 2.414 2.414 . 0 0 "[ ]" 1
822 1 90 LEU H 1 90 LEU HB3 0.000 . 4.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
823 1 90 LEU H 1 90 LEU HB2 0.000 . 4.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
824 1 90 LEU QD 1 91 LEU H 0.000 . 7.400 3.588 3.588 3.588 . 0 0 "[ ]" 1
825 1 90 LEU H 1 90 LEU MD1 0.000 . 5.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
826 1 90 LEU H 1 90 LEU MD2 0.000 . 5.500 3.778 3.778 3.778 . 0 0 "[ ]" 1
827 1 90 LEU H 1 90 LEU HG 0.000 . 5.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
828 1 90 LEU H 1 91 LEU H 0.000 . 3.000 2.832 2.832 2.832 . 0 0 "[ ]" 1
829 1 90 LEU H 1 92 VAL H 0.000 . 5.000 4.288 4.288 4.288 . 0 0 "[ ]" 1
830 1 91 LEU HA 1 92 VAL H 0.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
831 1 91 LEU HA 1 95 ARG H 0.000 . 6.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
832 1 91 LEU H 1 91 LEU MD1 0.000 . 5.500 3.402 3.402 3.402 . 0 0 "[ ]" 1
833 1 91 LEU H 1 91 LEU MD2 0.000 . 5.500 4.089 4.089 4.089 . 0 0 "[ ]" 1
834 1 91 LEU H 1 92 VAL H 0.000 . 3.000 2.622 2.622 2.622 . 0 0 "[ ]" 1
835 1 91 LEU H 1 93 LYS H 0.000 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
836 1 91 LEU H 1 94 LEU H 0.000 . 6.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
837 1 92 VAL H 1 92 VAL HA 0.000 . 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
838 1 92 VAL HA 1 93 LYS H 0.000 . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
839 1 92 VAL HA 1 95 ARG QB 0.000 . 6.000 2.200 2.200 2.200 . 0 0 "[ ]" 1
840 1 92 VAL HA 1 95 ARG QD 0.000 . 7.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
841 1 92 VAL HA 1 95 ARG QG 0.000 . 7.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
842 1 92 VAL HA 1 95 ARG H 0.000 . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
843 1 92 VAL H 1 92 VAL HB 0.000 . 4.000 2.188 2.188 2.188 . 0 0 "[ ]" 1
844 1 92 VAL HB 1 93 LYS H 0.000 . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
845 1 92 VAL H 1 92 VAL MG1 0.000 . 4.500 3.650 3.650 3.650 . 0 0 "[ ]" 1
846 1 92 VAL H 1 92 VAL MG2 0.000 . 4.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
847 1 92 VAL H 1 93 LYS H 0.000 . 3.000 2.849 2.849 2.849 . 0 0 "[ ]" 1
848 1 93 LYS HA 1 94 LEU H 0.000 . 6.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
849 1 93 LYS QB 1 94 LEU H 0.000 . 6.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
850 1 93 LYS H 1 93 LYS QG 0.000 . 5.000 1.831 1.831 1.831 . 0 0 "[ ]" 1
851 1 93 LYS HG3 1 94 LEU H 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
852 1 93 LYS H 1 94 LEU H 0.000 . 3.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
853 1 93 LYS H 1 95 ARG H 0.000 . 6.000 3.780 3.780 3.780 . 0 0 "[ ]" 1
854 1 94 LEU HA 1 95 ARG H 0.000 . 5.000 3.408 3.408 3.408 . 0 0 "[ ]" 1
855 1 94 LEU HA 1 96 GLY H 0.000 . 6.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
856 1 94 LEU HA 1 97 LEU MD1 0.000 . 6.500 3.057 3.057 3.057 . 0 0 "[ ]" 1
857 1 94 LEU HA 1 97 LEU HG 0.000 . 6.000 5.735 5.735 5.735 . 0 0 "[ ]" 1
858 1 94 LEU HA 1 97 LEU H 0.000 . 4.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
859 1 94 LEU QB 1 95 ARG H 0.000 . 7.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
860 1 94 LEU QD 1 95 ARG H 0.000 . 6.400 4.280 4.280 4.280 . 0 0 "[ ]" 1
861 1 94 LEU H 1 94 LEU MD1 0.000 . 5.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
862 1 94 LEU H 1 94 LEU MD2 0.000 . 5.500 4.105 4.105 4.105 . 0 0 "[ ]" 1
863 1 94 LEU H 1 94 LEU HG 0.000 . 4.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
864 1 94 LEU H 1 95 ARG H 0.000 . 3.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
865 1 95 ARG H 1 95 ARG HA 0.000 . 3.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
866 1 95 ARG QB 1 96 GLY H 0.000 . 7.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
867 1 95 ARG QD 1 98 HIS HD2 0.000 . 6.000 5.231 5.231 5.231 . 0 0 "[ ]" 1
868 1 95 ARG H 1 97 LEU H 0.000 . 6.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
869 1 96 GLY QA 1 97 LEU MD1 0.000 . 7.500 3.061 3.061 3.061 . 0 0 "[ ]" 1
870 1 96 GLY QA 1 98 HIS HD2 0.000 . 6.000 5.336 5.336 5.336 . 0 0 "[ ]" 1
871 1 96 GLY HA3 1 97 LEU H 0.000 . 4.000 2.840 2.840 2.840 . 0 0 "[ ]" 1
872 1 96 GLY HA2 1 97 LEU H 0.000 . 4.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
873 1 96 GLY H 1 97 LEU HA 0.000 . 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
874 1 96 GLY H 1 97 LEU MD1 0.000 . 6.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
875 1 96 GLY H 1 97 LEU H 0.000 . 3.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
876 1 96 GLY H 1 98 HIS H 0.000 . 6.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
877 1 97 LEU HA 1 97 LEU MD1 0.000 . 4.500 3.545 3.545 3.545 . 0 0 "[ ]" 1
878 1 97 LEU HA 1 98 HIS H 0.000 . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
879 1 97 LEU QD 1 98 HIS HD2 0.000 . 7.400 3.173 3.173 3.173 . 0 0 "[ ]" 1
880 1 97 LEU MD1 1 98 HIS QB 0.000 . 7.500 4.919 4.919 4.919 . 0 0 "[ ]" 1
881 1 97 LEU MD1 1 98 HIS H 0.000 . 6.500 3.317 3.317 3.317 . 0 0 "[ ]" 1
882 1 97 LEU MD1 1 99 LYS H 0.000 . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
883 1 97 LEU MD2 1 98 HIS H 0.000 . 7.500 4.580 4.580 4.580 . 0 0 "[ ]" 1
884 1 97 LEU H 1 98 HIS H 0.000 . 4.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
885 1 98 HIS HA 1 98 HIS HB3 0.000 . 3.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
886 1 98 HIS HA 1 98 HIS HB2 0.000 . 3.000 3.026 3.026 3.026 0.026 1 0 "[ ]" 1
887 1 98 HIS HA 1 99 LYS H 0.000 . 5.000 3.419 3.419 3.419 . 0 0 "[ ]" 1
888 1 98 HIS HB3 1 99 LYS H 0.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
889 1 98 HIS HB2 1 99 LYS H 0.000 . 5.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
890 1 98 HIS H 1 99 LYS H 0.000 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
891 1 38 ARG H 1 86 PHE QD 0.000 . 8.000 4.972 4.972 4.972 . 0 0 "[ ]" 1
892 1 44 ARG H 1 48 ALA HA 0.000 . 6.000 6.071 6.071 6.071 0.071 1 0 "[ ]" 1
893 1 53 GLU HA 1 54 VAL H 0.000 . 5.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
894 1 19 LYS H 1 57 ASP H 0.000 . 6.000 5.691 5.691 5.691 . 0 0 "[ ]" 1
895 1 68 ARG H 1 91 LEU QD 0.000 . 6.500 3.325 3.325 3.325 . 0 0 "[ ]" 1
896 1 70 ARG H 1 91 LEU QD 0.000 . 6.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
897 1 54 VAL QG 1 71 LYS H 0.000 . 6.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
898 1 71 LYS HA 1 76 LEU H 0.000 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
899 1 84 GLU HA 1 86 PHE H 0.000 . 6.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
900 1 86 PHE QR 1 87 VAL H 0.000 . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
901 1 94 LEU QD 1 96 GLY H 0.000 . 6.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
902 1 18 VAL H 1 19 LYS QB 0.000 . 6.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
903 1 20 TYR H 1 32 GLU QB 0.000 . 6.000 5.669 5.669 5.669 . 0 0 "[ ]" 1
904 1 34 TRP HE1 1 38 ARG QB 0.000 . 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
905 1 18 VAL MG2 1 34 TRP HE1 0.000 . 6.500 1.718 1.718 1.718 . 0 0 "[ ]" 1
906 1 11 LYS HA 1 39 LEU H 0.000 . 5.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
907 1 25 LEU HA 1 26 GLN QE 0.000 . 7.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
908 1 31 VAL MG1 1 55 ASN H 0.000 . 6.000 2.736 2.736 2.736 . 0 0 "[ ]" 1
909 1 82 PRO QD 1 83 THR H 0.000 . 6.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
910 1 56 ILE MG 1 61 GLU H 0.000 . 6.500 4.962 4.962 4.962 . 0 0 "[ ]" 1
911 1 66 GLU H 1 94 LEU H 0.000 . 5.000 5.322 5.322 5.322 0.322 1 0 "[ ]" 1
912 1 77 LYS HA 1 79 CYS H 0.000 . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
913 1 56 ILE MG 1 93 LYS H 0.000 . 5.500 3.886 3.886 3.886 . 0 0 "[ ]" 1
914 1 59 LEU QD 1 94 LEU H 0.000 . 6.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
915 1 59 LEU QD 1 97 LEU H 0.000 . 6.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
916 1 69 SER H 1 94 LEU QD 0.000 . 6.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
917 1 41 GLU QG 1 44 ARG H 0.000 . 6.000 5.070 5.070 5.070 . 0 0 "[ ]" 1
918 1 14 ALA MB 1 50 MET H 0.000 . 6.500 5.118 5.118 5.118 . 0 0 "[ ]" 1
919 1 55 ASN HA 1 90 LEU MD1 0.000 . 7.500 5.566 5.566 5.566 . 0 0 "[ ]" 1
920 1 55 ASN HA 1 59 LEU QD 0.000 . 7.500 4.141 4.141 4.141 . 0 0 "[ ]" 1
921 1 26 GLN HA 1 97 LEU MD1 0.000 . 6.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
922 1 34 TRP HH2 1 39 LEU HA 0.000 . 6.500 3.881 3.881 3.881 . 0 0 "[ ]" 1
923 1 34 TRP HH2 1 42 LEU MD2 0.000 . 7.000 1.692 1.692 1.692 . 0 0 "[ ]" 1
924 1 64 SER HB3 1 67 GLU QB 0.000 . 6.000 3.138 3.138 3.138 . 0 0 "[ ]" 1
925 1 64 SER HB2 1 67 GLU QB 0.000 . 6.000 4.510 4.510 4.510 . 0 0 "[ ]" 1
926 1 81 ASN HA 1 82 PRO QD 0.000 . 6.000 3.254 3.254 3.254 . 0 0 "[ ]" 1
927 1 83 THR HA 1 88 GLN QG 0.000 . 6.000 5.094 5.094 5.094 . 0 0 "[ ]" 1
928 1 76 LEU MD2 1 78 SER HA 0.000 . 6.500 4.320 4.320 4.320 . 0 0 "[ ]" 1
929 1 35 ILE MD 1 38 ARG QD 0.000 . 8.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
930 1 35 ILE QG 1 38 ARG QD 0.000 . 7.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
931 1 16 VAL QG 1 39 LEU QB 0.000 . 7.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
932 1 42 LEU MD2 1 75 LEU QD 0.000 . 8.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
933 1 63 GLU QG 1 64 SER HA 0.000 . 6.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
934 1 94 LEU QD 1 97 LEU MD1 0.000 . 8.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
935 1 39 LEU HG 1 43 TYR QE 0.000 . 7.000 2.409 2.409 2.409 . 0 0 "[ ]" 1
936 1 20 TYR QE 1 54 VAL HB 0.000 . 7.000 5.388 5.388 5.388 . 0 0 "[ ]" 1
937 1 39 LEU MD2 1 86 PHE QD 0.000 . 8.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
938 1 14 ALA MB 1 86 PHE QD 0.000 . 8.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
939 1 43 TYR QD 1 47 GLU HA 0.000 . 6.500 5.055 5.055 5.055 . 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 60
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 0.682
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0243
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0325
_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 27 ARG 0.003 0.003 1 0 "[ ]"
1 28 ARG 0.122 0.122 1 0 "[ ]"
1 29 LEU 0.018 0.018 1 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 VAL 0.134 0.076 1 0 "[ ]"
1 32 GLU 0.166 0.122 1 0 "[ ]"
1 33 LYS 0.030 0.018 1 0 "[ ]"
1 34 TRP 0.002 0.002 1 0 "[ ]"
1 35 ILE 0.148 0.076 1 0 "[ ]"
1 36 ASP 0.118 0.074 1 0 "[ ]"
1 37 GLY 0.026 0.015 1 0 "[ ]"
1 38 ARG 0.002 0.002 1 0 "[ ]"
1 39 LEU 0.016 0.016 1 0 "[ ]"
1 40 GLU 0.074 0.074 1 0 "[ ]"
1 41 GLU 0.015 0.015 1 0 "[ ]"
1 56 ILE 0.000 0.000 . 0 "[ ]"
1 57 ASP 0.037 0.037 1 0 "[ ]"
1 60 LEU 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.037 0.037 1 0 "[ ]"
1 66 GLU 0.061 0.061 1 0 "[ ]"
1 67 GLU 0.019 0.019 1 0 "[ ]"
1 68 ARG 0.000 0.000 . 0 "[ ]"
1 69 SER 0.002 0.002 1 0 "[ ]"
1 70 ARG 0.071 0.061 1 0 "[ ]"
1 71 LYS 0.066 0.047 1 0 "[ ]"
1 72 ILE 0.000 0.000 . 0 "[ ]"
1 73 GLN 0.002 0.002 1 0 "[ ]"
1 74 GLY 0.010 0.010 1 0 "[ ]"
1 75 LEU 0.047 0.047 1 0 "[ ]"
1 76 LEU 0.000 0.000 . 0 "[ ]"
1 77 LYS 0.000 0.000 . 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 84 GLU 0.000 0.000 . 0 "[ ]"
1 85 ASN 0.000 0.000 . 0 "[ ]"
1 86 PHE 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.003 0.003 1 0 "[ ]"
1 88 GLN 0.000 0.000 . 0 "[ ]"
1 89 GLU 0.000 0.000 . 0 "[ ]"
1 90 LEU 0.046 0.042 1 0 "[ ]"
1 91 LEU 0.023 0.020 1 0 "[ ]"
1 92 VAL 0.000 0.000 . 0 "[ ]"
1 93 LYS 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.046 0.042 1 0 "[ ]"
1 95 ARG 0.020 0.020 1 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 27 ARG O 1 31 VAL N 0.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 2
2 1 27 ARG O 1 31 VAL H 0.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 2
3 1 28 ARG O 1 32 GLU N 0.000 . 3.300 3.298 3.298 3.298 . 0 0 "[ ]" 2
4 1 28 ARG O 1 32 GLU H 0.000 . 2.300 2.422 2.422 2.422 0.122 1 0 "[ ]" 2
5 1 29 LEU O 1 33 LYS N 0.000 . 3.300 3.268 3.268 3.268 . 0 0 "[ ]" 2
6 1 29 LEU O 1 33 LYS H 0.000 . 2.300 2.318 2.318 2.318 0.018 1 0 "[ ]" 2
7 1 30 ASP O 1 34 TRP N 0.000 . 3.300 2.388 2.388 2.388 . 0 0 "[ ]" 2
8 1 30 ASP O 1 34 TRP H 0.000 . 2.300 1.471 1.471 1.471 . 0 0 "[ ]" 2
9 1 31 VAL O 1 35 ILE N 0.000 . 3.300 3.355 3.355 3.355 0.055 1 0 "[ ]" 2
10 1 31 VAL O 1 35 ILE H 0.000 . 2.300 2.376 2.376 2.376 0.076 1 0 "[ ]" 2
11 1 32 GLU O 1 36 ASP N 0.000 . 3.300 3.234 3.234 3.234 . 0 0 "[ ]" 2
12 1 32 GLU O 1 36 ASP H 0.000 . 2.300 2.344 2.344 2.344 0.044 1 0 "[ ]" 2
13 1 33 LYS O 1 37 GLY N 0.000 . 3.300 3.192 3.192 3.192 . 0 0 "[ ]" 2
14 1 33 LYS O 1 37 GLY H 0.000 . 2.300 2.312 2.312 2.312 0.012 1 0 "[ ]" 2
15 1 34 TRP O 1 38 ARG N 0.000 . 3.300 2.948 2.948 2.948 . 0 0 "[ ]" 2
16 1 34 TRP O 1 38 ARG H 0.000 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 2
17 1 35 ILE O 1 39 LEU N 0.000 . 3.300 3.191 3.191 3.191 . 0 0 "[ ]" 2
18 1 35 ILE O 1 39 LEU H 0.000 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 2
19 1 36 ASP O 1 40 GLU N 0.000 . 3.300 3.205 3.205 3.205 . 0 0 "[ ]" 2
20 1 36 ASP O 1 40 GLU H 0.000 . 2.300 2.374 2.374 2.374 0.074 1 0 "[ ]" 2
21 1 37 GLY O 1 41 GLU N 0.000 . 3.300 3.057 3.057 3.057 . 0 0 "[ ]" 2
22 1 37 GLY O 1 41 GLU H 0.000 . 2.300 2.315 2.315 2.315 0.015 1 0 "[ ]" 2
23 1 56 ILE O 1 60 LEU N 0.000 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 2
24 1 56 ILE O 1 60 LEU H 0.000 . 2.300 1.744 1.744 1.744 . 0 0 "[ ]" 2
25 1 57 ASP O 1 61 GLU N 0.000 . 3.300 3.295 3.295 3.295 . 0 0 "[ ]" 2
26 1 57 ASP O 1 61 GLU H 0.000 . 2.300 2.337 2.337 2.337 0.037 1 0 "[ ]" 2
27 1 66 GLU O 1 70 ARG N 0.000 . 3.300 3.212 3.212 3.212 . 0 0 "[ ]" 2
28 1 66 GLU O 1 70 ARG H 0.000 . 2.300 2.361 2.361 2.361 0.061 1 0 "[ ]" 2
29 1 67 GLU O 1 71 LYS N 0.000 . 3.300 3.144 3.144 3.144 . 0 0 "[ ]" 2
30 1 67 GLU O 1 71 LYS H 0.000 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 2
31 1 68 ARG O 1 72 ILE N 0.000 . 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 2
32 1 68 ARG O 1 72 ILE H 0.000 . 2.300 2.163 2.163 2.163 . 0 0 "[ ]" 2
33 1 69 SER O 1 73 GLN N 0.000 . 3.300 3.211 3.211 3.211 . 0 0 "[ ]" 2
34 1 69 SER O 1 73 GLN H 0.000 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 2
35 1 70 ARG O 1 74 GLY N 0.000 . 3.300 2.907 2.907 2.907 . 0 0 "[ ]" 2
36 1 70 ARG O 1 74 GLY H 0.000 . 2.300 2.310 2.310 2.310 0.010 1 0 "[ ]" 2
37 1 71 LYS O 1 75 LEU N 0.000 . 3.300 3.211 3.211 3.211 . 0 0 "[ ]" 2
38 1 71 LYS O 1 75 LEU H 0.000 . 2.300 2.347 2.347 2.347 0.047 1 0 "[ ]" 2
39 1 72 ILE O 1 76 LEU N 0.000 . 3.300 2.659 2.659 2.659 . 0 0 "[ ]" 2
40 1 72 ILE O 1 76 LEU H 0.000 . 2.300 1.699 1.699 1.699 . 0 0 "[ ]" 2
41 1 73 GLN O 1 77 LYS N 0.000 . 3.300 2.359 2.359 2.359 . 0 0 "[ ]" 2
42 1 73 GLN O 1 77 LYS H 0.000 . 2.300 1.877 1.877 1.877 . 0 0 "[ ]" 2
43 1 83 THR O 1 87 VAL N 0.000 . 3.300 3.021 3.021 3.021 . 0 0 "[ ]" 2
44 1 83 THR O 1 87 VAL H 0.000 . 2.300 2.096 2.096 2.096 . 0 0 "[ ]" 2
45 1 84 GLU O 1 88 GLN N 0.000 . 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 2
46 1 84 GLU O 1 88 GLN H 0.000 . 2.300 2.017 2.017 2.017 . 0 0 "[ ]" 2
47 1 85 ASN O 1 89 GLU N 0.000 . 3.300 2.382 2.382 2.382 . 0 0 "[ ]" 2
48 1 85 ASN O 1 89 GLU H 0.000 . 2.300 1.516 1.516 1.516 . 0 0 "[ ]" 2
49 1 86 PHE O 1 90 LEU N 0.000 . 3.300 3.212 3.212 3.212 . 0 0 "[ ]" 2
50 1 86 PHE O 1 90 LEU H 0.000 . 2.300 2.256 2.256 2.256 . 0 0 "[ ]" 2
51 1 87 VAL O 1 91 LEU N 0.000 . 3.300 3.232 3.232 3.232 . 0 0 "[ ]" 2
52 1 87 VAL O 1 91 LEU H 0.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 2
53 1 88 GLN O 1 92 VAL N 0.000 . 3.300 2.382 2.382 2.382 . 0 0 "[ ]" 2
54 1 88 GLN O 1 92 VAL H 0.000 . 2.300 1.480 1.480 1.480 . 0 0 "[ ]" 2
55 1 89 GLU O 1 93 LYS N 0.000 . 3.300 2.761 2.761 2.761 . 0 0 "[ ]" 2
56 1 89 GLU O 1 93 LYS H 0.000 . 2.300 1.803 1.803 1.803 . 0 0 "[ ]" 2
57 1 90 LEU O 1 94 LEU N 0.000 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 2
58 1 90 LEU O 1 94 LEU H 0.000 . 2.300 2.342 2.342 2.342 0.042 1 0 "[ ]" 2
59 1 91 LEU O 1 95 ARG N 0.000 . 3.300 2.942 2.942 2.942 . 0 0 "[ ]" 2
60 1 91 LEU O 1 95 ARG H 0.000 . 2.300 2.320 2.320 2.320 0.020 1 0 "[ ]" 2
stop_
save_
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