NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376528 |
1fmm   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fmm
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 870
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 18.237
_Distance_constraint_stats_list.Viol_max 0.920
_Distance_constraint_stats_list.Viol_rms 0.0871
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0210
_Distance_constraint_stats_list.Viol_average_violations_only 0.2251
_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 3 PRO 0.164 0.164 1 0 "[ ]"
1 4 LYS 0.542 0.378 1 0 "[ ]"
1 5 LEU 0.169 0.120 1 0 "[ ]"
1 6 LEU 0.049 0.049 1 0 "[ ]"
1 7 TYR 0.000 0.000 . 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 9 SER 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.417 0.266 1 0 "[ ]"
1 11 GLY 0.504 0.266 1 0 "[ ]"
1 12 GLY 0.182 0.095 1 0 "[ ]"
1 13 TYR 0.095 0.095 1 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.005 0.005 1 0 "[ ]"
1 16 ARG 0.005 0.005 1 0 "[ ]"
1 17 ILE 0.084 0.084 1 0 "[ ]"
1 18 PHE 0.084 0.084 1 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 ASP 0.287 0.287 1 0 "[ ]"
1 21 GLY 0.287 0.287 1 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.000 0.000 . 0 "[ ]"
1 24 ASP 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.920 0.920 1 1 [+]
1 26 THR 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.244 0.232 1 0 "[ ]"
1 28 ASP 0.000 0.000 . 0 "[ ]"
1 29 ARG 0.232 0.232 1 0 "[ ]"
1 30 SER 0.328 0.328 1 0 "[ ]"
1 31 ASP 0.000 0.000 . 0 "[ ]"
1 32 PRO 0.000 0.000 . 0 "[ ]"
1 33 TYR 0.259 0.259 1 0 "[ ]"
1 34 ILE 0.000 0.000 . 0 "[ ]"
1 35 GLN 0.079 0.079 1 0 "[ ]"
1 36 LEU 0.079 0.079 1 0 "[ ]"
1 37 GLN 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.051 0.051 1 0 "[ ]"
1 41 GLU 0.000 0.000 . 0 "[ ]"
1 42 SER 0.051 0.051 1 0 "[ ]"
1 43 VAL 0.338 0.329 1 0 "[ ]"
1 44 GLY 0.174 0.166 1 0 "[ ]"
1 45 GLU 0.250 0.166 1 0 "[ ]"
1 46 VAL 0.085 0.085 1 0 "[ ]"
1 47 TYR 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 SER 0.045 0.045 1 0 "[ ]"
1 51 LEU 0.276 0.253 1 0 "[ ]"
1 52 GLU 0.282 0.259 1 0 "[ ]"
1 53 THR 0.045 0.045 1 0 "[ ]"
1 54 GLY 0.000 0.000 . 0 "[ ]"
1 55 GLN 0.068 0.068 1 0 "[ ]"
1 56 TYR 0.320 0.253 1 0 "[ ]"
1 57 LEU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 MET 0.000 0.000 . 0 "[ ]"
1 60 ASP 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 ASP 0.449 0.271 1 0 "[ ]"
1 63 GLY 0.351 0.276 1 0 "[ ]"
1 64 GLN 0.314 0.252 1 0 "[ ]"
1 65 LEU 0.526 0.274 1 0 "[ ]"
1 66 TYR 0.087 0.087 1 0 "[ ]"
1 67 ALA 0.087 0.087 1 0 "[ ]"
1 68 SER 0.000 0.000 . 0 "[ ]"
1 69 GLN 0.470 0.470 1 0 "[ ]"
1 70 SER 0.476 0.476 1 0 "[ ]"
1 71 PRO 0.000 0.000 . 0 "[ ]"
1 72 SER 0.399 0.372 1 0 "[ ]"
1 73 GLU 0.041 0.041 1 0 "[ ]"
1 74 GLU 0.587 0.330 1 0 "[ ]"
1 75 CYS 0.372 0.372 1 0 "[ ]"
1 76 LEU 1.187 0.396 1 0 "[ ]"
1 77 PHE 0.883 0.421 1 0 "[ ]"
1 78 LEU 0.888 0.421 1 0 "[ ]"
1 79 GLU 0.238 0.238 1 0 "[ ]"
1 80 ARG 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.154 0.154 1 0 "[ ]"
1 82 GLU 0.206 0.206 1 0 "[ ]"
1 83 GLU 0.214 0.214 1 0 "[ ]"
1 84 ASN 0.000 0.000 . 0 "[ ]"
1 85 ASN 0.645 0.264 1 0 "[ ]"
1 86 TYR 0.159 0.152 1 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 88 THR 0.413 0.295 1 0 "[ ]"
1 89 TYR 0.118 0.118 1 0 "[ ]"
1 90 LYS 0.719 0.627 1 1 [+]
1 91 SER 0.150 0.150 1 0 "[ ]"
1 92 LYS 0.101 0.080 1 0 "[ ]"
1 93 VAL 0.592 0.495 1 0 "[ ]"
1 94 HIS 0.000 0.000 . 0 "[ ]"
1 95 ALA 0.500 0.482 1 0 "[ ]"
1 96 ASP 0.504 0.486 1 0 "[ ]"
1 97 LYS 0.486 0.486 1 0 "[ ]"
1 98 ASP 1.280 0.684 1 1 [+]
1 99 TRP 0.960 0.684 1 1 [+]
1 100 PHE 0.358 0.247 1 0 "[ ]"
1 101 VAL 0.627 0.627 1 1 [+]
1 102 GLY 0.000 0.000 . 0 "[ ]"
1 103 ILE 0.518 0.518 1 1 [+]
1 104 LYS 0.000 0.000 . 0 "[ ]"
1 105 LYS 0.000 0.000 . 0 "[ ]"
1 106 ASN 0.000 0.000 . 0 "[ ]"
1 107 GLY 0.920 0.920 1 1 [+]
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 109 THR 0.172 0.172 1 0 "[ ]"
1 110 LYS 0.000 0.000 . 0 "[ ]"
1 111 PRO 0.000 0.000 . 0 "[ ]"
1 112 GLY 0.000 0.000 . 0 "[ ]"
1 113 SER 0.000 0.000 . 0 "[ ]"
1 114 ARG 0.043 0.043 1 0 "[ ]"
1 115 THR 0.442 0.442 1 0 "[ ]"
1 116 HIS 0.111 0.111 1 0 "[ ]"
1 117 PHE 0.000 0.000 . 0 "[ ]"
1 118 GLY 0.618 0.618 1 1 [+]
1 119 GLN 1.321 0.618 1 1 [+]
1 120 LYS 0.000 0.000 . 0 "[ ]"
1 121 ALA 0.379 0.379 1 0 "[ ]"
1 122 ILE 0.948 0.658 1 1 [+]
1 123 LEU 1.176 0.658 1 1 [+]
1 124 PHE 0.000 0.000 . 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 PRO 0.000 0.000 . 0 "[ ]"
1 127 LEU 0.378 0.378 1 0 "[ ]"
1 128 PRO 0.000 0.000 . 0 "[ ]"
1 129 VAL 0.114 0.108 1 0 "[ ]"
1 130 SER 0.000 0.000 . 0 "[ ]"
1 131 SER 0.000 0.000 . 0 "[ ]"
1 132 ASP 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 4 LYS H 1 4 LYS HA 3.000 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
2 1 3 PRO HA 1 4 LYS H 2.200 . 2.500 2.664 2.664 2.664 0.164 1 0 "[ ]" 1
3 1 3 PRO QG 1 4 LYS H 3.000 . 4.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
4 1 4 LYS H 1 127 LEU HG 4.000 . 5.000 5.378 5.378 5.378 0.378 1 0 "[ ]" 1
5 1 3 PRO QB 1 4 LYS H 3.000 . 4.000 2.106 2.106 2.106 . 0 0 "[ ]" 1
6 1 4 LYS H 1 129 VAL QG 4.000 . 6.500 4.501 4.501 4.501 . 0 0 "[ ]" 1
7 1 5 LEU H 1 127 LEU H 4.000 . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
8 1 5 LEU H 1 126 PRO HA 5.000 . 6.000 5.064 5.064 5.064 . 0 0 "[ ]" 1
9 1 4 LYS HA 1 5 LEU H 2.200 . 2.500 2.207 2.207 2.207 . 0 0 "[ ]" 1
10 1 5 LEU H 1 5 LEU HA 3.000 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
11 1 5 LEU H 1 128 PRO HA 5.000 . 6.000 5.912 5.912 5.912 . 0 0 "[ ]" 1
12 1 5 LEU H 1 128 PRO QD 5.000 . 6.500 6.064 6.064 6.064 . 0 0 "[ ]" 1
13 1 5 LEU H 1 5 LEU QB 3.000 . 4.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
14 1 5 LEU H 1 5 LEU HG 3.000 . 3.500 1.680 1.680 1.680 0.120 1 0 "[ ]" 1
15 1 5 LEU H 1 5 LEU QD 3.000 . 4.500 2.159 2.159 2.159 . 0 0 "[ ]" 1
16 1 5 LEU H 1 127 LEU QD 3.000 . 4.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
17 1 5 LEU H 1 6 LEU H 5.000 . 6.000 4.658 4.658 4.658 . 0 0 "[ ]" 1
18 1 6 LEU H 1 7 TYR H 5.000 . 6.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
19 1 6 LEU H 1 14 PHE QD 4.000 . 5.500 3.857 3.857 3.857 . 0 0 "[ ]" 1
20 1 5 LEU HA 1 6 LEU H 2.200 . 2.500 2.549 2.549 2.549 0.049 1 0 "[ ]" 1
21 1 6 LEU H 1 6 LEU HA 3.000 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
22 1 6 LEU H 1 6 LEU QB 3.000 . 4.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
23 1 6 LEU H 1 6 LEU HG 4.000 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
24 1 6 LEU H 1 6 LEU QD 3.000 . 5.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
25 1 7 TYR H 1 125 LEU H 5.000 . 5.000 3.168 3.168 3.168 . 0 0 "[ ]" 1
26 1 7 TYR H 1 14 PHE QD 4.000 . 7.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
27 1 7 TYR H 1 124 PHE QD 4.000 . 5.500 4.911 4.911 4.911 . 0 0 "[ ]" 1
28 1 7 TYR H 1 7 TYR QD 4.000 . 7.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
29 1 7 TYR H 1 7 TYR QE 4.000 . 7.000 6.074 6.074 6.074 . 0 0 "[ ]" 1
30 1 7 TYR H 1 126 PRO HA 4.000 . 5.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
31 1 6 LEU HA 1 7 TYR H 3.000 . 3.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
32 1 7 TYR H 1 7 TYR HA 3.000 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
33 1 7 TYR H 1 7 TYR QB 3.000 . 4.000 2.077 2.077 2.077 . 0 0 "[ ]" 1
34 1 6 LEU QB 1 7 TYR H 4.000 . 5.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
35 1 7 TYR H 1 127 LEU QD 4.000 . 5.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
36 1 7 TYR H 1 8 CYS H 4.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
37 1 8 CYS H 1 9 SER H 4.000 . 5.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
38 1 8 CYS H 1 124 PHE QD 3.000 . 5.500 4.488 4.488 4.488 . 0 0 "[ ]" 1
39 1 7 TYR QE 1 8 CYS H 4.000 . 7.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
40 1 7 TYR QD 1 8 CYS H 4.000 . 7.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
41 1 8 CYS H 1 13 TYR H 3.000 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
42 1 8 CYS H 1 14 PHE HA 4.000 . 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
43 1 7 TYR HA 1 8 CYS H 3.000 . 3.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
44 1 7 TYR QB 1 8 CYS H 4.000 . 5.500 3.411 3.411 3.411 . 0 0 "[ ]" 1
45 1 8 CYS H 1 8 CYS QB 3.000 . 4.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
46 1 8 CYS H 1 103 ILE MD 3.000 . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
47 1 8 CYS H 1 103 ILE QG 3.000 . 5.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
48 1 9 SER H 1 125 LEU H 5.000 . 6.000 4.606 4.606 4.606 . 0 0 "[ ]" 1
49 1 9 SER H 1 10 ASN H 4.000 . 5.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
50 1 9 SER H 1 124 PHE QD 5.000 . 8.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
51 1 9 SER H 1 123 LEU H 5.000 . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
52 1 9 SER H 1 124 PHE HA 4.000 . 5.000 3.441 3.441 3.441 . 0 0 "[ ]" 1
53 1 8 CYS HA 1 9 SER H 2.200 . 2.500 2.079 2.079 2.079 . 0 0 "[ ]" 1
54 1 9 SER H 1 9 SER HA 3.000 . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
55 1 9 SER H 1 9 SER QB 2.200 . 3.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
56 1 9 SER H 1 124 PHE QB 5.000 . 6.500 5.499 5.499 5.499 . 0 0 "[ ]" 1
57 1 8 CYS QB 1 9 SER H 5.000 . 6.500 3.190 3.190 3.190 . 0 0 "[ ]" 1
58 1 9 SER H 1 123 LEU QB 4.000 . 5.500 3.630 3.630 3.630 . 0 0 "[ ]" 1
59 1 10 ASN H 1 10 ASN QD 4.000 . 5.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
60 1 9 SER HA 1 10 ASN H 3.000 . 3.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
61 1 9 SER QB 1 10 ASN H 4.000 . 5.500 3.670 3.670 3.670 . 0 0 "[ ]" 1
62 1 10 ASN H 1 10 ASN QB 3.000 . 4.000 2.474 2.474 2.474 . 0 0 "[ ]" 1
63 1 8 CYS QB 1 10 ASN H 5.000 . 6.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
64 1 10 ASN H 1 120 LYS QD 4.000 . 5.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
65 1 10 ASN H 1 110 LYS QG 5.000 . 6.500 5.850 5.850 5.850 . 0 0 "[ ]" 1
66 1 10 ASN H 1 120 LYS QG 5.000 . 6.500 3.614 3.614 3.614 . 0 0 "[ ]" 1
67 1 11 GLY H 1 12 GLY H 2.200 . 2.500 2.587 2.587 2.587 0.087 1 0 "[ ]" 1
68 1 9 SER QB 1 11 GLY H 4.000 . 5.500 4.768 4.768 4.768 . 0 0 "[ ]" 1
69 1 10 ASN HA 1 11 GLY H 2.200 . 2.500 2.766 2.766 2.766 0.266 1 0 "[ ]" 1
70 1 11 GLY H 1 11 GLY QA 2.200 . 3.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
71 1 10 ASN QB 1 11 GLY H 3.000 . 4.000 4.151 4.151 4.151 0.151 1 0 "[ ]" 1
72 1 12 GLY H 1 13 TYR H 2.200 . 2.500 2.595 2.595 2.595 0.095 1 0 "[ ]" 1
73 1 10 ASN HA 1 12 GLY H 4.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
74 1 11 GLY QA 1 12 GLY H 4.000 . 5.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
75 1 9 SER HA 1 12 GLY H 4.000 . 5.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
76 1 12 GLY H 1 12 GLY QA 2.200 . 3.000 2.131 2.131 2.131 . 0 0 "[ ]" 1
77 1 12 GLY H 1 103 ILE MD 5.000 . 7.000 4.200 4.200 4.200 . 0 0 "[ ]" 1
78 1 8 CYS QB 1 12 GLY H 4.000 . 5.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
79 1 11 GLY H 1 13 TYR H 5.000 . 6.000 5.174 5.174 5.174 . 0 0 "[ ]" 1
80 1 13 TYR H 1 13 TYR QD 4.000 . 7.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
81 1 13 TYR H 1 13 TYR QE 4.000 . 7.000 5.414 5.414 5.414 . 0 0 "[ ]" 1
82 1 13 TYR H 1 13 TYR HA 3.000 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
83 1 12 GLY QA 1 13 TYR H 3.000 . 3.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
84 1 13 TYR H 1 13 TYR QB 3.000 . 4.000 2.534 2.534 2.534 . 0 0 "[ ]" 1
85 1 13 TYR H 1 103 ILE MD 3.000 . 4.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
86 1 14 PHE H 1 26 THR H 3.000 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
87 1 14 PHE H 1 15 LEU H 5.000 . 6.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
88 1 14 PHE H 1 14 PHE QD 3.000 . 5.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
89 1 13 TYR QD 1 14 PHE H 4.000 . 7.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
90 1 14 PHE H 1 27 ARG HA 4.000 . 5.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
91 1 13 TYR HA 1 14 PHE H 2.200 . 2.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
92 1 14 PHE H 1 14 PHE QB 3.000 . 4.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
93 1 13 TYR QB 1 14 PHE H 4.000 . 5.500 2.747 2.747 2.747 . 0 0 "[ ]" 1
94 1 14 PHE H 1 26 THR HG1 4.000 . 4.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
95 1 14 PHE H 1 103 ILE MD 4.000 . 6.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
96 1 6 LEU H 1 15 LEU H 5.000 . 6.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
97 1 14 PHE QD 1 15 LEU H 3.000 . 5.500 3.342 3.342 3.342 . 0 0 "[ ]" 1
98 1 14 PHE HA 1 15 LEU H 3.000 . 3.500 2.071 2.071 2.071 . 0 0 "[ ]" 1
99 1 14 PHE QB 1 15 LEU H 4.000 . 5.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
100 1 15 LEU H 1 15 LEU QB 3.000 . 4.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
101 1 15 LEU H 1 15 LEU HG 3.000 . 3.500 3.244 3.244 3.244 . 0 0 "[ ]" 1
102 1 15 LEU H 1 15 LEU QD 3.000 . 4.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
103 1 15 LEU H 1 16 ARG H 4.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
104 1 16 ARG H 1 17 ILE H 4.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
105 1 15 LEU HA 1 16 ARG H 3.000 . 3.500 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
106 1 16 ARG HA 1 17 ILE H 3.000 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
107 1 17 ILE H 1 23 VAL HA 5.000 . 6.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
108 1 18 PHE H 1 23 VAL H 5.000 . 6.000 5.606 5.606 5.606 . 0 0 "[ ]" 1
109 1 18 PHE H 1 22 LYS H 4.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
110 1 17 ILE H 1 18 PHE H 3.500 . 4.000 4.084 4.084 4.084 0.084 1 0 "[ ]" 1
111 1 18 PHE H 1 23 VAL HA 4.000 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
112 1 17 ILE HA 1 18 PHE H 3.000 . 3.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
113 1 18 PHE H 1 18 PHE QB 3.000 . 4.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
114 1 18 PHE H 1 22 LYS QB 4.000 . 5.500 3.804 3.804 3.804 . 0 0 "[ ]" 1
115 1 16 ARG QG 1 18 PHE H 5.000 . 6.500 4.559 4.559 4.559 . 0 0 "[ ]" 1
116 1 17 ILE MD 1 18 PHE H 4.000 . 5.500 4.205 4.205 4.205 . 0 0 "[ ]" 1
117 1 17 ILE QG 1 18 PHE H 4.000 . 6.000 3.898 3.898 3.898 . 0 0 "[ ]" 1
118 1 19 PRO HA 1 20 ASP H 5.000 . 6.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
119 1 19 PRO QG 1 20 ASP H 5.000 . 6.500 1.969 1.969 1.969 . 0 0 "[ ]" 1
120 1 21 GLY H 1 22 LYS H 3.000 . 3.500 2.895 2.895 2.895 . 0 0 "[ ]" 1
121 1 20 ASP HA 1 21 GLY H 2.200 . 2.700 2.987 2.987 2.987 0.287 1 0 "[ ]" 1
122 1 21 GLY H 1 21 GLY QA 2.200 . 3.200 2.059 2.059 2.059 . 0 0 "[ ]" 1
123 1 20 ASP QB 1 21 GLY H 3.000 . 4.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
124 1 19 PRO QG 1 21 GLY H 4.000 . 5.500 4.790 4.790 4.790 . 0 0 "[ ]" 1
125 1 21 GLY H 1 67 ALA MB 4.000 . 5.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
126 1 17 ILE QG 1 21 GLY H 4.500 . 6.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
127 1 21 GLY QA 1 22 LYS H 3.000 . 4.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
128 1 20 ASP QB 1 22 LYS H 4.000 . 5.500 2.882 2.882 2.882 . 0 0 "[ ]" 1
129 1 22 LYS H 1 22 LYS QB 3.000 . 4.000 2.120 2.120 2.120 . 0 0 "[ ]" 1
130 1 22 LYS H 1 22 LYS QD 3.000 . 4.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
131 1 22 LYS H 1 22 LYS QG 3.000 . 4.000 3.189 3.189 3.189 . 0 0 "[ ]" 1
132 1 23 VAL H 1 24 ASP H 4.000 . 5.000 4.727 4.727 4.727 . 0 0 "[ ]" 1
133 1 22 LYS H 1 23 VAL H 4.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
134 1 22 LYS HA 1 23 VAL H 2.200 . 2.500 2.053 2.053 2.053 . 0 0 "[ ]" 1
135 1 22 LYS QB 1 23 VAL H 3.000 . 4.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
136 1 23 VAL H 1 23 VAL HB 3.000 . 4.000 2.566 2.566 2.566 . 0 0 "[ ]" 1
137 1 22 LYS QG 1 23 VAL H 4.000 . 5.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
138 1 23 VAL H 1 23 VAL QG 3.000 . 4.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
139 1 16 ARG H 1 24 ASP H 5.000 . 6.000 2.412 2.412 2.412 . 0 0 "[ ]" 1
140 1 24 ASP H 1 25 GLY H 4.000 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
141 1 23 VAL HA 1 24 ASP H 2.200 . 2.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
142 1 17 ILE HA 1 24 ASP H 4.000 . 5.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
143 1 24 ASP H 1 24 ASP HA 3.000 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
144 1 16 ARG QB 1 24 ASP H 5.000 . 6.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
145 1 23 VAL HB 1 24 ASP H 4.000 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
146 1 16 ARG QG 1 24 ASP H 5.000 . 6.500 2.997 2.997 2.997 . 0 0 "[ ]" 1
147 1 24 ASP H 1 109 THR HG1 4.000 . 5.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
148 1 23 VAL QG 1 24 ASP H 2.200 . 3.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
149 1 25 GLY H 1 26 THR H 4.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
150 1 13 TYR QD 1 25 GLY H 5.000 . 6.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
151 1 25 GLY H 1 108 LYS HA 4.000 . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
152 1 24 ASP QB 1 25 GLY H 3.000 . 4.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
153 1 24 ASP HA 1 25 GLY H 3.000 . 3.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
154 1 25 GLY H 1 107 GLY QA 5.000 2.800 6.000 1.880 1.880 1.880 0.920 1 1 [+] 1
155 1 25 GLY H 1 109 THR HG1 4.000 . 6.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
156 1 25 GLY H 1 103 ILE MD 4.000 . 6.000 3.135 3.135 3.135 . 0 0 "[ ]" 1
157 1 14 PHE QD 1 26 THR H 4.000 . 6.500 4.467 4.467 4.467 . 0 0 "[ ]" 1
158 1 13 TYR QD 1 26 THR H 3.000 . 5.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
159 1 25 GLY QA 1 26 THR H 2.200 . 3.000 2.205 2.205 2.205 . 0 0 "[ ]" 1
160 1 15 LEU HA 1 26 THR H 5.000 . 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
161 1 13 TYR HA 1 26 THR H 4.000 . 5.000 4.274 4.274 4.274 . 0 0 "[ ]" 1
162 1 13 TYR QB 1 26 THR H 4.000 . 5.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
163 1 16 ARG QG 1 26 THR H 4.000 . 6.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
164 1 26 THR H 1 103 ILE MD 3.000 . 4.500 3.721 3.721 3.721 . 0 0 "[ ]" 1
165 1 27 ARG H 1 28 ASP H 3.000 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
166 1 13 TYR QD 1 27 ARG H 3.000 . 5.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
167 1 26 THR HA 1 27 ARG H 3.000 . 3.500 2.331 2.331 2.331 . 0 0 "[ ]" 1
168 1 27 ARG H 1 27 ARG QB 3.000 . 4.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
169 1 27 ARG H 1 27 ARG QD 4.000 . 5.500 3.697 3.697 3.697 . 0 0 "[ ]" 1
170 1 13 TYR QB 1 27 ARG H 5.000 . 6.500 3.722 3.722 3.722 . 0 0 "[ ]" 1
171 1 27 ARG H 1 27 ARG QG 3.000 . 4.000 1.788 1.788 1.788 0.012 1 0 "[ ]" 1
172 1 26 THR HG1 1 27 ARG H 4.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
173 1 27 ARG H 1 103 ILE MD 5.000 . 6.500 5.415 5.415 5.415 . 0 0 "[ ]" 1
174 1 28 ASP H 1 31 ASP H 5.000 . 6.000 5.141 5.141 5.141 . 0 0 "[ ]" 1
175 1 13 TYR QD 1 28 ASP H 5.000 . 8.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
176 1 26 THR HA 1 28 ASP H 5.000 . 6.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
177 1 27 ARG HA 1 28 ASP H 3.000 . 3.500 3.358 3.358 3.358 . 0 0 "[ ]" 1
178 1 28 ASP H 1 28 ASP HA 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
179 1 28 ASP H 1 28 ASP QB 3.000 . 4.000 2.239 2.239 2.239 . 0 0 "[ ]" 1
180 1 27 ARG QB 1 28 ASP H 4.000 . 5.500 3.948 3.948 3.948 . 0 0 "[ ]" 1
181 1 26 THR HG1 1 28 ASP H 4.000 . 6.000 2.300 2.300 2.300 . 0 0 "[ ]" 1
182 1 27 ARG HA 1 29 ARG H 3.500 . 4.000 4.232 4.232 4.232 0.232 1 0 "[ ]" 1
183 1 28 ASP QB 1 29 ARG H 4.000 . 5.500 3.948 3.948 3.948 . 0 0 "[ ]" 1
184 1 29 ARG H 1 29 ARG QB 2.200 . 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
185 1 29 ARG H 1 29 ARG QG 2.200 . 3.000 2.061 2.061 2.061 . 0 0 "[ ]" 1
186 1 30 SER H 1 31 ASP H 2.200 . 2.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
187 1 28 ASP HA 1 30 SER H 3.000 . 3.500 3.157 3.157 3.157 . 0 0 "[ ]" 1
188 1 30 SER H 1 30 SER HA 2.200 . 2.500 2.828 2.828 2.828 0.328 1 0 "[ ]" 1
189 1 30 SER H 1 30 SER QB 2.200 . 3.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
190 1 29 ARG HA 1 30 SER H 5.000 . 6.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
191 1 28 ASP QB 1 30 SER H 3.000 . 4.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
192 1 29 ARG QB 1 30 SER H 3.000 . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
193 1 26 THR HG1 1 30 SER H 5.000 . 7.000 5.010 5.010 5.010 . 0 0 "[ ]" 1
194 1 30 SER H 1 34 ILE MD 4.000 . 6.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
195 1 31 ASP H 1 33 TYR H 5.000 . 6.000 4.946 4.946 4.946 . 0 0 "[ ]" 1
196 1 31 ASP H 1 31 ASP HA 3.000 . 4.000 2.714 2.714 2.714 . 0 0 "[ ]" 1
197 1 30 SER HA 1 31 ASP H 3.000 . 4.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
198 1 31 ASP H 1 32 PRO QD 4.000 . 5.500 4.225 4.225 4.225 . 0 0 "[ ]" 1
199 1 30 SER QB 1 31 ASP H 4.000 . 5.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
200 1 29 ARG HA 1 31 ASP H 4.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
201 1 31 ASP H 1 31 ASP QB 3.000 . 4.500 1.920 1.920 1.920 . 0 0 "[ ]" 1
202 1 28 ASP QB 1 31 ASP H 3.000 . 4.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
203 1 29 ARG QB 1 31 ASP H 4.000 . 5.500 4.749 4.749 4.749 . 0 0 "[ ]" 1
204 1 29 ARG QG 1 31 ASP H 4.000 . 5.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
205 1 31 ASP H 1 34 ILE QG 4.000 . 6.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
206 1 31 ASP H 1 34 ILE MD 4.000 . 6.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
207 1 33 TYR H 1 33 TYR QD 4.000 . 7.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
208 1 33 TYR H 1 34 ILE H 3.000 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
209 1 31 ASP HA 1 33 TYR H 4.000 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
210 1 32 PRO HA 1 33 TYR H 5.000 . 6.000 3.136 3.136 3.136 . 0 0 "[ ]" 1
211 1 33 TYR H 1 33 TYR QB 3.000 . 4.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
212 1 32 PRO QB 1 33 TYR H 4.000 . 5.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
213 1 26 THR HG1 1 33 TYR H 5.000 . 7.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
214 1 33 TYR H 1 34 ILE QG 4.000 . 5.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
215 1 32 PRO QG 1 33 TYR H 4.000 . 5.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
216 1 33 TYR H 1 34 ILE MD 4.000 . 6.000 4.662 4.662 4.662 . 0 0 "[ ]" 1
217 1 34 ILE H 1 35 GLN H 4.000 . 5.000 2.359 2.359 2.359 . 0 0 "[ ]" 1
218 1 33 TYR HA 1 34 ILE H 4.000 . 5.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
219 1 32 PRO HA 1 34 ILE H 5.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
220 1 33 TYR QB 1 34 ILE H 5.000 . 6.500 3.958 3.958 3.958 . 0 0 "[ ]" 1
221 1 34 ILE H 1 34 ILE HB 4.000 . 5.500 3.771 3.771 3.771 . 0 0 "[ ]" 1
222 1 34 ILE H 1 34 ILE QG 4.000 . 6.000 1.997 1.997 1.997 . 0 0 "[ ]" 1
223 1 34 ILE H 1 34 ILE MD 4.000 . 6.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
224 1 35 GLN H 1 36 LEU H 4.000 . 4.500 4.579 4.579 4.579 0.079 1 0 "[ ]" 1
225 1 34 ILE HA 1 35 GLN H 5.000 . 6.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
226 1 33 TYR HA 1 35 GLN H 3.000 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
227 1 35 GLN H 1 35 GLN QG 3.000 . 4.000 2.927 2.927 2.927 . 0 0 "[ ]" 1
228 1 34 ILE QG 1 35 GLN H 3.000 . 4.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
229 1 34 ILE MD 1 35 GLN H 3.000 . 4.500 3.871 3.871 3.871 . 0 0 "[ ]" 1
230 1 35 GLN H 1 35 GLN QB 3.000 . 4.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
231 1 36 LEU H 1 51 LEU H 4.000 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
232 1 35 GLN HA 1 36 LEU H 3.000 . 3.500 2.257 2.257 2.257 . 0 0 "[ ]" 1
233 1 35 GLN QB 1 36 LEU H 3.000 . 4.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
234 1 35 GLN QG 1 36 LEU H 3.000 . 4.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
235 1 36 LEU HA 1 37 GLN H 3.000 . 4.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
236 1 38 PHE H 1 38 PHE QD 3.000 . 6.000 3.758 3.758 3.758 . 0 0 "[ ]" 1
237 1 37 GLN HA 1 38 PHE H 2.200 . 2.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
238 1 38 PHE H 1 38 PHE QB 2.200 . 3.000 2.115 2.115 2.115 . 0 0 "[ ]" 1
239 1 37 GLN QG 1 38 PHE H 3.000 . 4.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
240 1 4 LYS QG 1 38 PHE H 4.000 . 5.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
241 1 39 TYR H 1 40 ALA H 4.000 . 5.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
242 1 39 TYR H 1 39 TYR QD 3.000 . 6.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
243 1 38 PHE HA 1 39 TYR H 2.200 . 2.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
244 1 39 TYR H 1 48 ILE HA 5.000 . 6.000 2.770 2.770 2.770 . 0 0 "[ ]" 1
245 1 39 TYR H 1 46 VAL HB 4.000 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
246 1 39 TYR H 1 46 VAL QG 4.000 . 6.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
247 1 39 TYR H 1 48 ILE QG 5.000 . 7.000 3.298 3.298 3.298 . 0 0 "[ ]" 1
248 1 38 PHE QB 1 39 TYR H 3.000 . 4.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
249 1 39 TYR QD 1 40 ALA H 4.000 . 5.000 4.325 4.325 4.325 . 0 0 "[ ]" 1
250 1 40 ALA H 1 46 VAL HA 5.000 . 6.000 4.711 4.711 4.711 . 0 0 "[ ]" 1
251 1 39 TYR HA 1 40 ALA H 2.200 . 2.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
252 1 39 TYR QB 1 40 ALA H 2.200 . 3.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
253 1 40 ALA H 1 40 ALA MB 2.200 . 3.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
254 1 40 ALA H 1 46 VAL QG 5.000 . 7.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
255 1 40 ALA H 1 41 GLU H 5.000 . 6.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
256 1 41 GLU H 1 42 SER H 4.000 . 5.000 2.603 2.603 2.603 . 0 0 "[ ]" 1
257 1 41 GLU H 1 46 VAL HA 3.500 . 4.500 2.509 2.509 2.509 . 0 0 "[ ]" 1
258 1 40 ALA HA 1 41 GLU H 3.000 . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 1
259 1 41 GLU H 1 41 GLU QG 4.000 . 5.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
260 1 41 GLU H 1 41 GLU QB 3.000 . 4.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
261 1 40 ALA MB 1 41 GLU H 3.000 . 4.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
262 1 41 GLU H 1 46 VAL QG 5.000 . 7.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
263 1 40 ALA HA 1 42 SER H 4.000 . 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1
264 1 41 GLU HA 1 42 SER H 3.000 . 4.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
265 1 42 SER H 1 42 SER HA 3.000 . 4.000 2.897 2.897 2.897 . 0 0 "[ ]" 1
266 1 42 SER H 1 42 SER QB 2.200 . 3.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
267 1 41 GLU QG 1 42 SER H 3.000 . 4.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
268 1 41 GLU QB 1 42 SER H 2.200 . 3.000 2.106 2.106 2.106 . 0 0 "[ ]" 1
269 1 40 ALA MB 1 42 SER H 3.000 . 5.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
270 1 42 SER H 1 43 VAL QG 4.000 . 6.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
271 1 43 VAL H 1 44 GLY H 4.000 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
272 1 42 SER HA 1 43 VAL H 3.000 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
273 1 42 SER QB 1 43 VAL H 3.000 . 4.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
274 1 43 VAL H 1 43 VAL HB 3.000 . 3.500 3.829 3.829 3.829 0.329 1 0 "[ ]" 1
275 1 43 VAL H 1 43 VAL QG 3.000 . 4.500 3.152 3.152 3.152 . 0 0 "[ ]" 1
276 1 44 GLY H 1 45 GLU H 2.200 . 2.500 1.634 1.634 1.634 0.166 1 0 "[ ]" 1
277 1 44 GLY H 1 44 GLY QA 2.200 . 3.000 2.465 2.465 2.465 . 0 0 "[ ]" 1
278 1 43 VAL HB 1 44 GLY H 2.200 . 3.000 2.222 2.222 2.222 . 0 0 "[ ]" 1
279 1 43 VAL QG 1 44 GLY H 2.200 . 3.500 1.792 1.792 1.792 0.008 1 0 "[ ]" 1
280 1 40 ALA MB 1 44 GLY H 5.000 . 7.000 5.230 5.230 5.230 . 0 0 "[ ]" 1
281 1 45 GLU H 1 46 VAL H 4.000 . 5.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
282 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
283 1 44 GLY QA 1 45 GLU H 3.000 . 4.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
284 1 45 GLU H 1 45 GLU QB 3.000 . 4.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
285 1 40 ALA MB 1 45 GLU H 4.000 . 6.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
286 1 43 VAL QG 1 45 GLU H 3.000 . 4.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
287 1 46 VAL H 1 77 PHE H 4.000 . 5.000 2.042 2.042 2.042 . 0 0 "[ ]" 1
288 1 46 VAL H 1 46 VAL HA 3.000 . 4.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
289 1 45 GLU HA 1 46 VAL H 2.200 . 2.500 2.585 2.585 2.585 0.085 1 0 "[ ]" 1
290 1 46 VAL H 1 78 LEU HA 4.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
291 1 46 VAL H 1 77 PHE QB 4.000 . 5.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
292 1 45 GLU QB 1 46 VAL H 2.200 . 3.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
293 1 46 VAL H 1 46 VAL QG 2.200 . 4.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
294 1 46 VAL H 1 76 LEU QD 4.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
295 1 46 VAL H 1 47 TYR H 5.000 . 6.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
296 1 47 TYR H 1 47 TYR QD 3.000 . 6.000 4.280 4.280 4.280 . 0 0 "[ ]" 1
297 1 46 VAL HA 1 47 TYR H 2.200 . 2.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
298 1 47 TYR H 1 47 TYR HA 3.000 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
299 1 40 ALA HA 1 47 TYR H . . 4.500 1.904 1.904 1.904 . 0 0 "[ ]" 1
300 1 47 TYR H 1 47 TYR QB 3.000 . 4.000 2.479 2.479 2.479 . 0 0 "[ ]" 1
301 1 46 VAL HB 1 47 TYR H 2.200 . 2.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
302 1 40 ALA MB 1 47 TYR H 4.000 . 5.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
303 1 46 VAL QG 1 47 TYR H 2.200 . 4.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
304 1 47 TYR H 1 76 LEU QD 5.000 . 7.500 4.720 4.720 4.720 . 0 0 "[ ]" 1
305 1 47 TYR H 1 48 ILE H 4.000 . 5.000 4.121 4.121 4.121 . 0 0 "[ ]" 1
306 1 47 TYR QD 1 48 ILE H 3.000 . 5.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
307 1 47 TYR QB 1 48 ILE H 4.000 . 5.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
308 1 48 ILE H 1 48 ILE HB 4.000 . 5.500 3.377 3.377 3.377 . 0 0 "[ ]" 1
309 1 46 VAL QG 1 48 ILE H 4.000 . 6.500 2.786 2.786 2.786 . 0 0 "[ ]" 1
310 1 48 ILE H 1 48 ILE QG 4.000 . 6.500 1.909 1.909 1.909 . 0 0 "[ ]" 1
311 1 48 ILE H 1 48 ILE MD 4.000 . 6.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
312 1 49 LYS H 1 56 TYR H 5.000 . 6.000 5.872 5.872 5.872 . 0 0 "[ ]" 1
313 1 38 PHE HA 1 49 LYS H 4.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
314 1 48 ILE HA 1 49 LYS H 3.000 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
315 1 49 LYS H 1 49 LYS QD 4.000 . 5.500 4.513 4.513 4.513 . 0 0 "[ ]" 1
316 1 48 ILE QG 1 49 LYS H 3.000 . 5.000 2.523 2.523 2.523 . 0 0 "[ ]" 1
317 1 50 SER H 1 55 GLN H 4.000 . 5.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
318 1 50 SER H 1 53 THR HG1 4.000 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
319 1 50 SER H 1 56 TYR HA 5.000 . 6.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
320 1 49 LYS HA 1 50 SER H 2.200 . 2.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
321 1 50 SER H 1 50 SER QB 2.200 . 3.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
322 1 49 LYS QB 1 50 SER H 3.000 . 4.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
323 1 36 LEU QD 1 50 SER H 3.000 . 5.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
324 1 51 LEU H 1 56 TYR H 5.000 . 6.000 6.253 6.253 6.253 0.253 1 0 "[ ]" 1
325 1 51 LEU H 1 52 GLU H 4.000 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
326 1 51 LEU H 1 55 GLN H 5.000 . 6.000 5.160 5.160 5.160 . 0 0 "[ ]" 1
327 1 36 LEU HA 1 51 LEU H 4.000 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
328 1 33 TYR HA 1 51 LEU H 5.000 . 6.000 5.856 5.856 5.856 . 0 0 "[ ]" 1
329 1 50 SER HA 1 51 LEU H 3.000 . 3.500 2.028 2.028 2.028 . 0 0 "[ ]" 1
330 1 51 LEU H 1 51 LEU HA 3.000 . 3.500 2.343 2.343 2.343 . 0 0 "[ ]" 1
331 1 50 SER QB 1 51 LEU H 5.000 . 6.500 3.716 3.716 3.716 . 0 0 "[ ]" 1
332 1 35 GLN QB 1 51 LEU H 3.000 . 4.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
333 1 51 LEU H 1 51 LEU QB 3.000 . 4.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
334 1 51 LEU H 1 51 LEU QD 3.000 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
335 1 52 GLU H 1 53 THR H 4.000 . 5.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
336 1 52 GLU H 1 53 THR HG1 5.000 . 6.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
337 1 33 TYR HA 1 52 GLU H 3.000 . 3.500 3.759 3.759 3.759 0.259 1 0 "[ ]" 1
338 1 51 LEU HA 1 52 GLU H 2.200 . 2.500 2.523 2.523 2.523 0.023 1 0 "[ ]" 1
339 1 52 GLU H 1 52 GLU QB 2.200 . 3.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
340 1 52 GLU H 1 52 GLU QG 2.200 . 3.000 2.133 2.133 2.133 . 0 0 "[ ]" 1
341 1 51 LEU QB 1 52 GLU H 3.000 . 4.000 2.449 2.449 2.449 . 0 0 "[ ]" 1
342 1 51 LEU QD 1 52 GLU H 4.000 . 6.500 3.150 3.150 3.150 . 0 0 "[ ]" 1
343 1 53 THR H 1 55 GLN H 4.000 . 5.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
344 1 53 THR H 1 53 THR HG1 4.000 . 5.000 2.123 2.123 2.123 . 0 0 "[ ]" 1
345 1 53 THR H 1 53 THR HB 4.000 . 5.500 3.543 3.543 3.543 . 0 0 "[ ]" 1
346 1 52 GLU QB 1 53 THR H 3.000 . 4.500 3.764 3.764 3.764 . 0 0 "[ ]" 1
347 1 52 GLU QG 1 53 THR H 4.000 . 5.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
348 1 53 THR H 1 53 THR HG1 3.000 . 5.000 1.913 1.913 1.913 . 0 0 "[ ]" 1
349 1 52 GLU H 1 54 GLY H 4.000 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
350 1 54 GLY H 1 55 GLN H 4.000 . 5.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
351 1 53 THR HG1 1 54 GLY H 4.000 . 5.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
352 1 53 THR HA 1 54 GLY H 4.000 . 5.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
353 1 54 GLY H 1 54 GLY QA 2.200 . 3.000 1.952 1.952 1.952 . 0 0 "[ ]" 1
354 1 52 GLU QG 1 54 GLY H 4.000 . 5.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
355 1 53 THR HG1 1 54 GLY H 4.000 . 6.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
356 1 53 THR HG1 1 55 GLN H 4.000 . 5.000 3.213 3.213 3.213 . 0 0 "[ ]" 1
357 1 53 THR HA 1 55 GLN H 4.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
358 1 55 GLN H 1 55 GLN HA 3.000 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
359 1 54 GLY QA 1 55 GLN H 4.000 . 5.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
360 1 50 SER QB 1 55 GLN H 4.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
361 1 55 GLN H 1 55 GLN QB 3.000 . 4.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
362 1 55 GLN H 1 55 GLN QG 3.000 . 4.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
363 1 49 LYS QG 1 55 GLN H 3.000 . 4.000 2.349 2.349 2.349 . 0 0 "[ ]" 1
364 1 56 TYR H 1 57 LEU H 4.000 . 5.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
365 1 56 TYR H 1 56 TYR QD 2.200 . 4.500 3.155 3.155 3.155 . 0 0 "[ ]" 1
366 1 56 TYR H 1 56 TYR HA 3.000 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
367 1 55 GLN HA 1 56 TYR H 3.000 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
368 1 55 GLN QB 1 56 TYR H 2.200 . 3.000 1.732 1.732 1.732 0.068 1 0 "[ ]" 1
369 1 56 TYR H 1 67 ALA MB 2.200 . 4.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
370 1 48 ILE H 1 57 LEU H 5.000 . 6.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
371 1 56 TYR HA 1 57 LEU H 3.000 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
372 1 56 TYR QB 1 57 LEU H 4.000 . 5.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
373 1 57 LEU H 1 57 LEU QB 3.000 . 4.000 2.622 2.622 2.622 . 0 0 "[ ]" 1
374 1 57 LEU H 1 57 LEU HG 4.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
375 1 57 LEU H 1 57 LEU QD 3.000 . 5.500 4.027 4.027 4.027 . 0 0 "[ ]" 1
376 1 56 TYR QD 1 57 LEU H 4.000 . 7.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
377 1 58 ALA H 1 66 TYR H 3.000 . 3.500 3.086 3.086 3.086 . 0 0 "[ ]" 1
378 1 58 ALA H 1 67 ALA HA 4.000 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
379 1 57 LEU HA 1 58 ALA H 2.200 . 2.500 2.385 2.385 2.385 . 0 0 "[ ]" 1
380 1 57 LEU QB 1 58 ALA H 3.000 . 4.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
381 1 57 LEU QD 1 58 ALA H 2.200 . 4.000 2.696 2.696 2.696 . 0 0 "[ ]" 1
382 1 58 ALA H 1 58 ALA MB 2.200 . 4.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
383 1 58 ALA H 1 59 MET H 4.000 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
384 1 59 MET H 1 77 PHE QD 4.000 . 7.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
385 1 59 MET H 1 76 LEU H 4.000 . 5.000 4.964 4.964 4.964 . 0 0 "[ ]" 1
386 1 58 ALA HA 1 59 MET H 2.200 . 2.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
387 1 59 MET H 1 59 MET QG 3.500 . 4.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
388 1 59 MET H 1 65 LEU QD 4.000 . 6.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
389 1 58 ALA MB 1 59 MET H 2.200 . 4.000 2.648 2.648 2.648 . 0 0 "[ ]" 1
390 1 60 ASP H 1 64 GLN H 4.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
391 1 60 ASP H 1 66 TYR QD 3.000 . 6.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
392 1 60 ASP H 1 66 TYR QE 3.000 . 6.000 5.063 5.063 5.063 . 0 0 "[ ]" 1
393 1 59 MET HA 1 60 ASP H 3.000 . 3.500 1.996 1.996 1.996 . 0 0 "[ ]" 1
394 1 59 MET QG 1 60 ASP H 3.000 . 4.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
395 1 60 ASP H 1 65 LEU QD 4.000 . 6.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
396 1 60 ASP H 1 61 SER H 5.000 . 6.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
397 1 61 SER H 1 66 TYR QD 4.000 . 7.000 5.045 5.045 5.045 . 0 0 "[ ]" 1
398 1 61 SER H 1 66 TYR QE 4.000 . 7.000 5.517 5.517 5.517 . 0 0 "[ ]" 1
399 1 60 ASP HA 1 61 SER H 3.000 . 3.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
400 1 61 SER H 1 61 SER HA 3.000 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
401 1 61 SER H 1 61 SER QB 3.000 . 4.000 2.656 2.656 2.656 . 0 0 "[ ]" 1
402 1 60 ASP QB 1 61 SER H 3.000 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
403 1 62 ASP H 1 64 GLN H 4.000 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
404 1 62 ASP H 1 99 TRP HH2 5.000 . 8.000 6.887 6.887 6.887 . 0 0 "[ ]" 1
405 1 62 ASP H 1 99 TRP HZ2 5.000 . 8.000 6.031 6.031 6.031 . 0 0 "[ ]" 1
406 1 62 ASP H 1 62 ASP HA 2.200 . 2.500 2.771 2.771 2.771 0.271 1 0 "[ ]" 1
407 1 61 SER HA 1 62 ASP H 4.000 . 5.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
408 1 61 SER QB 1 62 ASP H 4.000 . 5.500 3.892 3.892 3.892 . 0 0 "[ ]" 1
409 1 62 ASP H 1 62 ASP QB 2.200 . 3.000 3.042 3.042 3.042 0.042 1 0 "[ ]" 1
410 1 59 MET QG 1 62 ASP H 4.000 . 5.500 3.061 3.061 3.061 . 0 0 "[ ]" 1
411 1 62 ASP H 1 63 GLY H 3.000 . 3.500 2.051 2.051 2.051 . 0 0 "[ ]" 1
412 1 63 GLY H 1 99 TRP HH2 3.000 . 5.500 5.776 5.776 5.776 0.276 1 0 "[ ]" 1
413 1 63 GLY H 1 99 TRP HZ2 3.000 . 5.500 5.106 5.106 5.106 . 0 0 "[ ]" 1
414 1 62 ASP HA 1 63 GLY H 3.000 . 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 1
415 1 61 SER HA 1 63 GLY H 4.000 . 5.000 4.088 4.088 4.088 . 0 0 "[ ]" 1
416 1 63 GLY H 1 63 GLY QA 2.200 . 3.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
417 1 62 ASP QB 1 63 GLY H 2.200 . 3.000 2.507 2.507 2.507 . 0 0 "[ ]" 1
418 1 59 MET QG 1 63 GLY H 2.200 . 3.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
419 1 63 GLY H 1 64 GLN H 2.200 . 2.500 1.992 1.992 1.992 . 0 0 "[ ]" 1
420 1 64 GLN H 1 99 TRP HH2 4.000 . 6.000 5.717 5.717 5.717 . 0 0 "[ ]" 1
421 1 64 GLN H 1 99 TRP HZ2 5.000 . 8.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
422 1 62 ASP HA 1 64 GLN H 4.000 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 1
423 1 64 GLN H 1 64 GLN HA 3.000 . 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
424 1 63 GLY QA 1 64 GLN H 3.000 . 4.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
425 1 62 ASP QB 1 64 GLN H 4.000 . 5.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
426 1 64 GLN H 1 64 GLN QG 3.000 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1
427 1 64 GLN H 1 64 GLN QB 2.200 . 3.000 2.163 2.163 2.163 . 0 0 "[ ]" 1
428 1 65 LEU H 1 66 TYR H 4.000 . 5.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
429 1 65 LEU H 1 65 LEU HA 3.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
430 1 64 GLN HA 1 65 LEU H 2.200 . 2.500 2.752 2.752 2.752 0.252 1 0 "[ ]" 1
431 1 64 GLN QB 1 65 LEU H 2.200 . 3.000 2.201 2.201 2.201 . 0 0 "[ ]" 1
432 1 64 GLN QG 1 65 LEU H 2.200 . 3.000 2.595 2.595 2.595 . 0 0 "[ ]" 1
433 1 65 LEU H 1 65 LEU QB 3.000 . 4.000 2.515 2.515 2.515 . 0 0 "[ ]" 1
434 1 65 LEU H 1 65 LEU HG 2.200 . 4.000 4.274 4.274 4.274 0.274 1 0 "[ ]" 1
435 1 66 TYR H 1 67 ALA H 4.000 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
436 1 66 TYR H 1 66 TYR QD 3.000 . 5.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
437 1 66 TYR H 1 66 TYR QE 4.000 . 7.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
438 1 65 LEU HA 1 66 TYR H 2.200 . 3.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
439 1 66 TYR H 1 66 TYR HA 3.000 . 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
440 1 59 MET QG 1 66 TYR H 4.000 . 5.500 5.327 5.327 5.327 . 0 0 "[ ]" 1
441 1 65 LEU QB 1 66 TYR H 4.000 . 5.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
442 1 65 LEU HG 1 66 TYR H 2.200 . 4.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
443 1 58 ALA MB 1 66 TYR H 4.000 . 6.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
444 1 67 ALA H 1 68 SER H 4.000 . 5.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
445 1 66 TYR QE 1 67 ALA H 4.000 . 7.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
446 1 66 TYR QD 1 67 ALA H 3.000 . 5.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
447 1 66 TYR HA 1 67 ALA H 2.200 . 2.500 2.587 2.587 2.587 0.087 1 0 "[ ]" 1
448 1 21 GLY QA 1 67 ALA H 4.000 . 5.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
449 1 66 TYR QB 1 67 ALA H 2.200 . 3.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
450 1 67 ALA H 1 67 ALA MB 3.000 . 4.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
451 1 23 VAL QG 1 67 ALA H 4.000 . 6.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
452 1 58 ALA MB 1 67 ALA H 5.000 . 7.000 5.530 5.530 5.530 . 0 0 "[ ]" 1
453 1 67 ALA HA 1 68 SER H 3.000 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
454 1 67 ALA MB 1 68 SER H 4.000 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
455 1 68 SER HA 1 69 GLN H 2.200 . 2.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
456 1 69 GLN H 1 70 SER H 2.200 . 2.500 1.968 1.968 1.968 . 0 0 "[ ]" 1
457 1 66 TYR QD 1 69 GLN H 5.000 . 8.000 5.192 5.192 5.192 . 0 0 "[ ]" 1
458 1 66 TYR QE 1 69 GLN H 5.000 . 8.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
459 1 69 GLN H 1 69 GLN HA 2.200 . 2.500 2.970 2.970 2.970 0.470 1 0 "[ ]" 1
460 1 68 SER QB 1 69 GLN H 4.000 . 5.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
461 1 69 GLN H 1 69 GLN QG 3.000 . 4.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
462 1 69 GLN H 1 69 GLN QB 3.000 . 4.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
463 1 66 TYR QD 1 70 SER H 4.000 . 7.000 6.600 6.600 6.600 . 0 0 "[ ]" 1
464 1 66 TYR QE 1 70 SER H 4.000 . 7.000 4.606 4.606 4.606 . 0 0 "[ ]" 1
465 1 70 SER H 1 70 SER HA 2.200 . 2.500 2.976 2.976 2.976 0.476 1 0 "[ ]" 1
466 1 69 GLN HA 1 70 SER H 3.000 . 3.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
467 1 70 SER H 1 70 SER QB 2.200 . 3.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
468 1 69 GLN QG 1 70 SER H 5.000 . 6.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
469 1 69 GLN QB 1 70 SER H 2.200 . 3.000 2.689 2.689 2.689 . 0 0 "[ ]" 1
470 1 72 SER H 1 73 GLU H 4.000 . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
471 1 72 SER H 1 75 CYS H 4.000 . 5.000 5.372 5.372 5.372 0.372 1 0 "[ ]" 1
472 1 47 TYR QD 1 72 SER H 4.500 2.300 7.500 6.233 6.233 6.233 . 0 0 "[ ]" 1
473 1 47 TYR QE 1 72 SER H 4.000 . 7.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
474 1 71 PRO HA 1 72 SER H 3.000 . 3.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
475 1 71 PRO QB 1 72 SER H 5.000 . 6.500 1.803 1.803 1.803 . 0 0 "[ ]" 1
476 1 71 PRO QG 1 72 SER H 2.200 . 3.000 2.513 2.513 2.513 . 0 0 "[ ]" 1
477 1 71 PRO QD 1 72 SER H 3.000 . 4.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
478 1 72 SER H 1 72 SER HA 2.200 . 2.500 2.252 2.252 2.252 . 0 0 "[ ]" 1
479 1 72 SER H 1 72 SER QB 2.200 . 3.000 3.027 3.027 3.027 0.027 1 0 "[ ]" 1
480 1 73 GLU H 1 74 GLU H 3.000 . 3.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
481 1 72 SER HA 1 73 GLU H 2.200 . 2.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
482 1 72 SER QB 1 73 GLU H 3.000 . 4.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
483 1 73 GLU H 1 73 GLU HA 2.200 . 2.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
484 1 73 GLU H 1 73 GLU QB 2.200 . 3.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
485 1 73 GLU H 1 73 GLU QG 3.000 . 4.000 2.138 2.138 2.138 . 0 0 "[ ]" 1
486 1 74 GLU H 1 75 CYS H 3.000 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
487 1 74 GLU H 1 76 LEU H 4.000 . 5.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
488 1 73 GLU HA 1 74 GLU H 3.000 . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
489 1 73 GLU QG 1 74 GLU H 2.200 . 3.000 2.006 2.006 2.006 . 0 0 "[ ]" 1
490 1 74 GLU H 1 74 GLU HA 2.200 . 2.500 2.716 2.716 2.716 0.216 1 0 "[ ]" 1
491 1 74 GLU H 1 74 GLU QB 3.000 . 4.000 2.410 2.410 2.410 . 0 0 "[ ]" 1
492 1 74 GLU H 1 74 GLU QG 2.200 . 3.000 2.068 2.068 2.068 . 0 0 "[ ]" 1
493 1 73 GLU H 1 75 CYS H 5.000 . 6.000 4.643 4.643 4.643 . 0 0 "[ ]" 1
494 1 47 TYR QD 1 75 CYS H 4.000 . 7.000 6.401 6.401 6.401 . 0 0 "[ ]" 1
495 1 75 CYS H 1 76 LEU H 3.000 . 4.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
496 1 75 CYS H 1 75 CYS QB 3.000 . 4.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
497 1 74 GLU HA 1 75 CYS H 3.000 . 4.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
498 1 74 GLU QB 1 75 CYS H 2.200 . 3.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
499 1 76 LEU H 1 77 PHE H 3.500 . 4.000 4.134 4.134 4.134 0.134 1 0 "[ ]" 1
500 1 75 CYS HA 1 76 LEU H 4.000 . 5.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
501 1 76 LEU H 1 76 LEU HA 3.000 . 3.500 3.040 3.040 3.040 . 0 0 "[ ]" 1
502 1 74 GLU HA 1 76 LEU H 3.000 . 3.500 3.830 3.830 3.830 0.330 1 0 "[ ]" 1
503 1 75 CYS QB 1 76 LEU H 4.000 . 5.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
504 1 74 GLU QB 1 76 LEU H 4.000 . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
505 1 76 LEU H 1 76 LEU QB 2.200 . 3.000 2.439 2.439 2.439 . 0 0 "[ ]" 1
506 1 76 LEU H 1 76 LEU HG 2.200 . 2.500 2.896 2.896 2.896 0.396 1 0 "[ ]" 1
507 1 76 LEU H 1 76 LEU QD 3.000 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
508 1 77 PHE H 1 78 LEU H 5.000 . 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
509 1 77 PHE H 1 77 PHE QD 3.000 . 5.500 3.685 3.685 3.685 . 0 0 "[ ]" 1
510 1 46 VAL HA 1 77 PHE H 4.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
511 1 77 PHE H 1 77 PHE HA 3.000 . 3.500 2.787 2.787 2.787 . 0 0 "[ ]" 1
512 1 76 LEU HA 1 77 PHE H 2.200 . 2.500 2.828 2.828 2.828 0.328 1 0 "[ ]" 1
513 1 77 PHE H 1 77 PHE QB 3.000 . 4.000 3.063 3.063 3.063 . 0 0 "[ ]" 1
514 1 76 LEU QB 1 77 PHE H 2.200 . 3.000 1.873 1.873 1.873 . 0 0 "[ ]" 1
515 1 76 LEU QD 1 77 PHE H 3.000 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
516 1 78 LEU H 1 90 LYS H 3.000 . 3.500 3.086 3.086 3.086 . 0 0 "[ ]" 1
517 1 78 LEU H 1 79 GLU H 4.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
518 1 78 LEU H 1 92 LYS H 4.000 . 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 1
519 1 77 PHE QD 1 78 LEU H 3.000 . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
520 1 78 LEU H 1 78 LEU HA 3.000 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
521 1 77 PHE HA 1 78 LEU H 2.200 . 2.500 2.921 2.921 2.921 0.421 1 0 "[ ]" 1
522 1 78 LEU H 1 90 LYS HA 4.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
523 1 78 LEU H 1 91 SER HA 4.000 . 5.000 5.150 5.150 5.150 0.150 1 0 "[ ]" 1
524 1 77 PHE QB 1 78 LEU H 3.000 . 4.000 1.882 1.882 1.882 . 0 0 "[ ]" 1
525 1 78 LEU H 1 78 LEU QB 3.000 . 4.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
526 1 78 LEU H 1 78 LEU HG 3.000 . 4.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
527 1 78 LEU H 1 78 LEU QD 2.200 . 4.000 2.059 2.059 2.059 . 0 0 "[ ]" 1
528 1 46 VAL H 1 79 GLU H 5.000 . 6.000 5.246 5.246 5.246 . 0 0 "[ ]" 1
529 1 78 LEU HA 1 79 GLU H 2.200 . 2.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
530 1 79 GLU H 1 79 GLU QB 2.200 . 3.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
531 1 78 LEU QB 1 79 GLU H 2.200 . 3.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
532 1 78 LEU HG 1 79 GLU H 2.200 . 3.000 3.238 3.238 3.238 0.238 1 0 "[ ]" 1
533 1 78 LEU QD 1 79 GLU H 3.000 . 5.000 2.557 2.557 2.557 . 0 0 "[ ]" 1
534 1 80 ARG H 1 81 LEU H 4.000 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
535 1 80 ARG H 1 87 ASN HA 4.000 . 5.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
536 1 80 ARG H 1 87 ASN QB 4.000 . 5.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
537 1 79 GLU HA 1 80 ARG H 2.200 . 2.500 2.176 2.176 2.176 . 0 0 "[ ]" 1
538 1 80 ARG H 1 80 ARG QB 2.200 . 3.000 2.908 2.908 2.908 . 0 0 "[ ]" 1
539 1 80 ARG H 1 80 ARG QG 4.000 . 4.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
540 1 78 LEU QD 1 80 ARG H 4.000 . 6.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
541 1 80 ARG HA 1 81 LEU H 2.200 . 2.500 2.099 2.099 2.099 . 0 0 "[ ]" 1
542 1 81 LEU H 1 81 LEU HA 3.000 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
543 1 81 LEU H 1 81 LEU QB 2.200 . 3.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
544 1 81 LEU H 1 81 LEU HG 3.000 . 5.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
545 1 81 LEU H 1 81 LEU QD 3.000 . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
546 1 80 ARG QB 1 81 LEU H 3.000 . 4.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
547 1 82 GLU H 1 83 GLU H 4.000 . 5.000 3.919 3.919 3.919 . 0 0 "[ ]" 1
548 1 81 LEU H 1 82 GLU H 4.000 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
549 1 82 GLU H 1 86 TYR H 4.000 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
550 1 82 GLU H 1 87 ASN HA 4.000 . 5.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
551 1 82 GLU H 1 82 GLU HA 2.200 . 2.500 2.706 2.706 2.706 0.206 1 0 "[ ]" 1
552 1 82 GLU H 1 85 ASN QB 5.000 . 6.500 5.691 5.691 5.691 . 0 0 "[ ]" 1
553 1 82 GLU H 1 82 GLU QB 2.200 . 3.000 2.367 2.367 2.367 . 0 0 "[ ]" 1
554 1 82 GLU H 1 82 GLU QG 2.200 . 3.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
555 1 81 LEU QD 1 82 GLU H 2.200 . 4.000 1.972 1.972 1.972 . 0 0 "[ ]" 1
556 1 83 GLU H 1 84 ASN H 3.000 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
557 1 82 GLU HA 1 83 GLU H 3.000 . 3.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
558 1 83 GLU H 1 83 GLU HA 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
559 1 83 GLU H 1 83 GLU QB 2.200 . 2.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
560 1 83 GLU H 1 83 GLU QG 2.200 . 2.500 2.714 2.714 2.714 0.214 1 0 "[ ]" 1
561 1 85 ASN H 1 86 TYR H 2.200 . 2.500 2.507 2.507 2.507 0.007 1 0 "[ ]" 1
562 1 85 ASN H 1 85 ASN HA 2.200 . 2.500 2.764 2.764 2.764 0.264 1 0 "[ ]" 1
563 1 85 ASN H 1 85 ASN QB 2.200 . 3.000 3.067 3.067 3.067 0.067 1 0 "[ ]" 1
564 1 83 GLU QB 1 85 ASN H 4.000 . 5.500 5.108 5.108 5.108 . 0 0 "[ ]" 1
565 1 81 LEU QD 1 85 ASN H 2.200 . 4.000 1.646 1.646 1.646 0.154 1 0 "[ ]" 1
566 1 86 TYR H 1 87 ASN H 4.000 . 5.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
567 1 86 TYR H 1 86 TYR QD 3.000 . 5.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
568 1 86 TYR H 1 86 TYR HA 3.000 . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
569 1 86 TYR H 1 86 TYR QB 3.000 . 4.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
570 1 85 ASN HA 1 86 TYR H 3.000 . 3.500 3.652 3.652 3.652 0.152 1 0 "[ ]" 1
571 1 85 ASN QB 1 86 TYR H 4.000 . 5.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
572 1 81 LEU HG 1 86 TYR H 5.000 . 6.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
573 1 81 LEU QD 1 86 TYR H 4.000 . 6.500 1.810 1.810 1.810 . 0 0 "[ ]" 1
574 1 87 ASN H 1 124 PHE H . . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
575 1 87 ASN H 1 88 THR H 4.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
576 1 86 TYR QD 1 87 ASN H 3.000 . 5.500 4.325 4.325 4.325 . 0 0 "[ ]" 1
577 1 86 TYR QE 1 87 ASN H 4.000 . 6.500 6.320 6.320 6.320 . 0 0 "[ ]" 1
578 1 87 ASN H 1 87 ASN HA 3.000 . 3.500 2.952 2.952 2.952 . 0 0 "[ ]" 1
579 1 86 TYR HA 1 87 ASN H 3.000 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
580 1 86 TYR QB 1 87 ASN H 3.000 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
581 1 81 LEU HG 1 87 ASN H 4.000 . 5.000 4.937 4.937 4.937 . 0 0 "[ ]" 1
582 1 82 GLU H 1 88 THR H 4.000 . 5.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
583 1 87 ASN HA 1 88 THR H 3.000 . 3.500 2.003 2.003 2.003 . 0 0 "[ ]" 1
584 1 81 LEU HA 1 88 THR H 3.000 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
585 1 87 ASN QB 1 88 THR H 3.000 . 4.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
586 1 80 ARG QB 1 88 THR H 3.500 . 4.500 3.468 3.468 3.468 . 0 0 "[ ]" 1
587 1 88 THR H 1 88 THR HG1 3.000 . 4.000 1.505 1.505 1.505 0.295 1 0 "[ ]" 1
588 1 81 LEU QD 1 88 THR H 5.000 . 7.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
589 1 88 THR H 1 89 TYR H 5.000 . 6.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
590 1 89 TYR H 1 100 PHE QD 3.000 . 5.500 4.036 4.036 4.036 . 0 0 "[ ]" 1
591 1 89 TYR H 1 89 TYR QD 3.000 . 5.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
592 1 88 THR HA 1 89 TYR H 3.000 . 3.500 3.618 3.618 3.618 0.118 1 0 "[ ]" 1
593 1 89 TYR H 1 89 TYR HA 2.200 . 2.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
594 1 89 TYR H 1 89 TYR QB 3.000 . 4.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
595 1 88 THR HG1 1 89 TYR H 3.000 . 4.500 3.485 3.485 3.485 . 0 0 "[ ]" 1
596 1 89 TYR H 1 90 LYS H 5.000 . 6.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
597 1 90 LYS H 1 100 PHE QD 5.000 . 8.000 5.616 5.616 5.616 . 0 0 "[ ]" 1
598 1 77 PHE QD 1 90 LYS H 5.000 . 5.500 2.303 2.303 2.303 . 0 0 "[ ]" 1
599 1 89 TYR QD 1 90 LYS H 4.000 . 6.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
600 1 90 LYS H 1 90 LYS HA 3.000 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
601 1 89 TYR HA 1 90 LYS H 3.000 . 3.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
602 1 77 PHE QB 1 90 LYS H 3.000 . 4.000 2.129 2.129 2.129 . 0 0 "[ ]" 1
603 1 89 TYR QB 1 90 LYS H 4.000 . 5.500 2.047 2.047 2.047 . 0 0 "[ ]" 1
604 1 90 LYS H 1 90 LYS QB 2.200 . 3.000 3.092 3.092 3.092 0.092 1 0 "[ ]" 1
605 1 90 LYS H 1 90 LYS QG 4.000 . 5.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
606 1 90 LYS H 1 101 VAL QG 4.000 . 6.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
607 1 91 SER H 1 100 PHE QD 4.000 . 7.000 6.021 6.021 6.021 . 0 0 "[ ]" 1
608 1 77 PHE QD 1 91 SER H 4.000 . 5.500 1.914 1.914 1.914 . 0 0 "[ ]" 1
609 1 91 SER H 1 100 PHE HA 4.000 . 5.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
610 1 90 LYS HA 1 91 SER H 2.200 . 2.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
611 1 91 SER H 1 91 SER HA 3.000 . 3.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
612 1 90 LYS QB 1 91 SER H 3.000 . 4.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
613 1 91 SER H 1 101 VAL QG 4.000 . 6.500 4.677 4.677 4.677 . 0 0 "[ ]" 1
614 1 92 LYS H 1 93 VAL H 3.000 . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
615 1 77 PHE QD 1 92 LYS H 4.000 . 5.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
616 1 77 PHE HA 1 92 LYS H 3.000 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
617 1 92 LYS H 1 92 LYS HA 3.000 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
618 1 91 SER HA 1 92 LYS H 3.000 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
619 1 77 PHE QB 1 92 LYS H 4.000 . 5.500 5.044 5.044 5.044 . 0 0 "[ ]" 1
620 1 92 LYS H 1 92 LYS QB 3.000 . 4.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
621 1 92 LYS H 1 92 LYS QG 3.000 . 4.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
622 1 93 VAL H 1 94 HIS H 2.200 . 2.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
623 1 92 LYS HA 1 93 VAL H 4.000 . 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
624 1 93 VAL H 1 93 VAL HA 2.200 . 2.500 2.995 2.995 2.995 0.495 1 0 "[ ]" 1
625 1 93 VAL H 1 93 VAL HB 2.200 . 2.500 2.576 2.576 2.576 0.076 1 0 "[ ]" 1
626 1 93 VAL H 1 93 VAL QG 2.200 . 4.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
627 1 92 LYS QB 1 93 VAL H 2.200 . 3.000 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
628 1 93 VAL HA 1 94 HIS H 3.000 . 4.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
629 1 94 HIS H 1 94 HIS QB 2.200 . 3.000 2.248 2.248 2.248 . 0 0 "[ ]" 1
630 1 93 VAL HB 1 94 HIS H 2.200 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
631 1 93 VAL QG 1 94 HIS H 2.200 . 4.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
632 1 95 ALA H 1 96 ASP H 2.200 . 2.500 2.194 2.194 2.194 . 0 0 "[ ]" 1
633 1 95 ALA H 1 95 ALA HA 2.200 . 2.500 2.982 2.982 2.982 0.482 1 0 "[ ]" 1
634 1 94 HIS QB 1 95 ALA H 2.200 . 3.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
635 1 95 ALA H 1 95 ALA MB 2.200 . 3.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
636 1 93 VAL QG 1 95 ALA H 5.000 . 7.500 4.930 4.930 4.930 . 0 0 "[ ]" 1
637 1 96 ASP H 1 98 ASP H 5.000 . 6.000 5.705 5.705 5.705 . 0 0 "[ ]" 1
638 1 96 ASP H 1 96 ASP HA 2.200 . 2.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
639 1 95 ALA HA 1 96 ASP H 3.000 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
640 1 96 ASP H 1 96 ASP QB 2.200 . 3.000 2.756 2.756 2.756 . 0 0 "[ ]" 1
641 1 95 ALA MB 1 96 ASP H 2.200 . 3.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
642 1 96 ASP H 1 97 LYS H 3.000 . 3.500 3.986 3.986 3.986 0.486 1 0 "[ ]" 1
643 1 97 LYS H 1 99 TRP H 4.000 . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
644 1 96 ASP HA 1 97 LYS H 3.000 . 3.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
645 1 97 LYS H 1 97 LYS HA 3.000 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
646 1 96 ASP QB 1 97 LYS H 2.200 . 3.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
647 1 95 ALA MB 1 97 LYS H 4.000 . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
648 1 97 LYS H 1 97 LYS QB 3.000 . 4.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
649 1 97 LYS H 1 97 LYS QG 3.000 . 4.000 3.193 3.193 3.193 . 0 0 "[ ]" 1
650 1 97 LYS H 1 98 ASP H 2.200 . 2.500 2.026 2.026 2.026 . 0 0 "[ ]" 1
651 1 98 ASP H 1 100 PHE H 4.000 . 5.000 5.247 5.247 5.247 0.247 1 0 "[ ]" 1
652 1 98 ASP H 1 99 TRP H 3.000 . 3.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
653 1 97 LYS HA 1 98 ASP H 3.000 . 3.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
654 1 98 ASP H 1 98 ASP HA 2.200 . 2.500 2.850 2.850 2.850 0.350 1 0 "[ ]" 1
655 1 98 ASP H 1 98 ASP QB 2.200 . 3.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
656 1 97 LYS QB 1 98 ASP H 3.000 . 4.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
657 1 97 LYS QG 1 98 ASP H 3.000 . 4.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
658 1 99 TRP H 1 100 PHE H 4.000 . 5.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
659 1 98 ASP HA 1 99 TRP H 2.200 . 2.500 3.184 3.184 3.184 0.684 1 1 [+] 1
660 1 98 ASP QB 1 99 TRP H 3.000 . 4.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
661 1 99 TRP H 1 99 TRP QB 3.000 . 4.000 2.706 2.706 2.706 . 0 0 "[ ]" 1
662 1 97 LYS QB 1 99 TRP H 4.000 . 5.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
663 1 97 LYS QG 1 99 TRP H 4.000 . 5.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
664 1 100 PHE H 1 100 PHE QD 3.000 . 5.500 3.526 3.526 3.526 . 0 0 "[ ]" 1
665 1 100 PHE H 1 115 THR HG1 3.000 . 3.500 2.014 2.014 2.014 . 0 0 "[ ]" 1
666 1 99 TRP HA 1 100 PHE H 2.200 . 2.500 2.422 2.422 2.422 . 0 0 "[ ]" 1
667 1 100 PHE H 1 115 THR HB 4.000 . 5.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
668 1 100 PHE H 1 112 GLY QA 4.000 . 5.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
669 1 100 PHE H 1 115 THR HG1 3.000 . 5.000 1.952 1.952 1.952 . 0 0 "[ ]" 1
670 1 100 PHE H 1 122 ILE QG 4.000 . 6.500 4.089 4.089 4.089 . 0 0 "[ ]" 1
671 1 100 PHE H 1 122 ILE MD 5.000 . 7.500 5.675 5.675 5.675 . 0 0 "[ ]" 1
672 1 100 PHE QD 1 101 VAL H 3.000 . 6.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
673 1 77 PHE QD 1 101 VAL H 5.000 . 8.000 6.244 6.244 6.244 . 0 0 "[ ]" 1
674 1 89 TYR QD 1 101 VAL H 5.000 . 8.000 5.799 5.799 5.799 . 0 0 "[ ]" 1
675 1 100 PHE HA 1 101 VAL H 3.000 . 3.500 2.738 2.738 2.738 . 0 0 "[ ]" 1
676 1 90 LYS HA 1 101 VAL H 3.500 . 4.000 4.627 4.627 4.627 0.627 1 1 [+] 1
677 1 101 VAL H 1 101 VAL HB 3.000 . 3.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
678 1 101 VAL H 1 122 ILE QG 4.000 . 6.500 2.403 2.403 2.403 . 0 0 "[ ]" 1
679 1 101 VAL H 1 101 VAL QG 2.200 . 4.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
680 1 102 GLY H 1 109 THR HG1 4.000 . 6.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
681 1 101 VAL HA 1 102 GLY H 3.000 . 3.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
682 1 102 GLY H 1 110 LYS QB 4.000 . 5.500 2.608 2.608 2.608 . 0 0 "[ ]" 1
683 1 101 VAL QG 1 102 GLY H 2.200 . 4.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
684 1 102 GLY H 1 103 ILE H 5.000 . 6.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
685 1 103 ILE H 1 123 LEU H 5.000 . 6.000 6.518 6.518 6.518 0.518 1 1 [+] 1
686 1 102 GLY QA 1 103 ILE H 2.200 . 3.000 2.155 2.155 2.155 . 0 0 "[ ]" 1
687 1 103 ILE H 1 103 ILE HB 3.000 . 4.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
688 1 103 ILE H 1 103 ILE QG 3.000 . 5.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
689 1 103 ILE H 1 103 ILE MD 3.000 . 5.000 4.032 4.032 4.032 . 0 0 "[ ]" 1
690 1 104 LYS H 1 110 LYS H 5.000 . 6.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
691 1 104 LYS H 1 105 LYS H 5.000 . 6.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
692 1 103 ILE HA 1 104 LYS H 2.200 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
693 1 103 ILE HB 1 104 LYS H 3.000 . 4.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
694 1 103 ILE QG 1 104 LYS H 3.000 . 5.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
695 1 103 ILE MD 1 104 LYS H 3.000 . 5.000 2.070 2.070 2.070 . 0 0 "[ ]" 1
696 1 104 LYS H 1 104 LYS QB 3.000 . 5.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
697 1 104 LYS H 1 104 LYS QG 3.000 . 5.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
698 1 104 LYS HA 1 105 LYS H 5.000 . 6.000 2.466 2.466 2.466 . 0 0 "[ ]" 1
699 1 105 LYS H 1 105 LYS HA 2.200 . 2.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
700 1 104 LYS QB 1 105 LYS H 3.000 . 4.000 3.245 3.245 3.245 . 0 0 "[ ]" 1
701 1 104 LYS QG 1 105 LYS H 3.000 . 4.000 1.906 1.906 1.906 . 0 0 "[ ]" 1
702 1 105 LYS H 1 105 LYS QB 3.000 . 4.000 3.511 3.511 3.511 . 0 0 "[ ]" 1
703 1 105 LYS H 1 105 LYS QG 3.000 . 4.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
704 1 106 ASN H 1 109 THR H 5.000 . 6.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
705 1 105 LYS HA 1 106 ASN H 4.000 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
706 1 105 LYS QB 1 106 ASN H 4.000 . 5.000 2.412 2.412 2.412 . 0 0 "[ ]" 1
707 1 105 LYS QG 1 106 ASN H 4.000 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
708 1 103 ILE MD 1 106 ASN H 5.000 . 6.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
709 1 106 ASN H 1 106 ASN HA 3.000 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
710 1 106 ASN H 1 106 ASN QB 3.000 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
711 1 107 GLY H 1 109 THR H 5.000 . 6.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
712 1 107 GLY H 1 108 LYS H 3.000 . 3.500 3.215 3.215 3.215 . 0 0 "[ ]" 1
713 1 107 GLY H 1 107 GLY QA 2.200 . 3.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
714 1 106 ASN QB 1 107 GLY H 4.000 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
715 1 105 LYS QB 1 107 GLY H 4.000 . 5.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
716 1 105 LYS QG 1 107 GLY H 4.000 . 5.500 5.025 5.025 5.025 . 0 0 "[ ]" 1
717 1 103 ILE MD 1 107 GLY H 4.000 . 6.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
718 1 108 LYS H 1 109 THR H 3.000 . 3.500 2.102 2.102 2.102 . 0 0 "[ ]" 1
719 1 108 LYS H 1 108 LYS HA 2.200 . 2.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
720 1 107 GLY QA 1 108 LYS H 3.000 . 3.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
721 1 108 LYS H 1 108 LYS QB 3.000 . 4.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
722 1 108 LYS H 1 108 LYS QG 3.000 . 4.000 3.192 3.192 3.192 . 0 0 "[ ]" 1
723 1 103 ILE MD 1 108 LYS H 4.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
724 1 109 THR H 1 110 LYS H 5.000 . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
725 1 108 LYS HA 1 109 THR H 3.000 . 3.500 3.304 3.304 3.304 . 0 0 "[ ]" 1
726 1 109 THR H 1 109 THR HA 3.000 . 3.500 1.963 1.963 1.963 . 0 0 "[ ]" 1
727 1 109 THR H 1 109 THR HB 3.000 . 3.500 3.672 3.672 3.672 0.172 1 0 "[ ]" 1
728 1 108 LYS QB 1 109 THR H 3.000 . 4.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
729 1 108 LYS QG 1 109 THR H 3.000 . 4.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
730 1 103 ILE MD 1 109 THR H 4.000 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
731 1 109 THR H 1 109 THR HG1 2.200 . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
732 1 109 THR HB 1 110 LYS H 4.000 . 5.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
733 1 109 THR HA 1 110 LYS H 4.000 . 5.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
734 1 109 THR HG1 1 110 LYS H 2.200 . 3.500 2.394 2.394 2.394 . 0 0 "[ ]" 1
735 1 103 ILE MD 1 110 LYS H 4.000 . 6.500 5.562 5.562 5.562 . 0 0 "[ ]" 1
736 1 110 LYS H 1 110 LYS QB 3.000 . 4.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
737 1 111 PRO HA 1 112 GLY H 2.200 . 2.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
738 1 111 PRO QB 1 112 GLY H 4.000 . 5.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
739 1 111 PRO QG 1 112 GLY H 4.000 . 5.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
740 1 113 SER H 1 113 SER HA 3.000 . 3.500 2.589 2.589 2.589 . 0 0 "[ ]" 1
741 1 113 SER H 1 113 SER QB 3.000 . 4.000 2.199 2.199 2.199 . 0 0 "[ ]" 1
742 1 112 GLY H 1 113 SER H 3.000 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
743 1 112 GLY QA 1 113 SER H 3.500 . 4.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
744 1 110 LYS HA 1 113 SER H 4.000 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
745 1 111 PRO QG 1 113 SER H 4.000 . 5.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
746 1 114 ARG H 1 115 THR H 3.000 . 3.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
747 1 112 GLY QA 1 114 ARG H 4.000 . 5.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
748 1 113 SER HA 1 114 ARG H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
749 1 113 SER QB 1 114 ARG H 4.000 . 5.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
750 1 114 ARG H 1 114 ARG QB 2.200 . 3.000 3.043 3.043 3.043 0.043 1 0 "[ ]" 1
751 1 100 PHE H 1 115 THR H 4.000 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
752 1 100 PHE QD 1 115 THR H 5.000 . 8.000 6.131 6.131 6.131 . 0 0 "[ ]" 1
753 1 115 THR H 1 115 THR HG1 2.200 . 2.500 2.942 2.942 2.942 0.442 1 0 "[ ]" 1
754 1 115 THR H 1 115 THR HA 3.000 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
755 1 114 ARG HA 1 115 THR H 3.000 . 3.500 2.176 2.176 2.176 . 0 0 "[ ]" 1
756 1 112 GLY QA 1 115 THR H 5.000 . 6.500 4.457 4.457 4.457 . 0 0 "[ ]" 1
757 1 113 SER HA 1 115 THR H 5.000 . 6.000 5.426 5.426 5.426 . 0 0 "[ ]" 1
758 1 113 SER QB 1 115 THR H 5.000 . 6.500 4.816 4.816 4.816 . 0 0 "[ ]" 1
759 1 114 ARG QB 1 115 THR H 4.000 . 5.500 3.976 3.976 3.976 . 0 0 "[ ]" 1
760 1 115 THR H 1 115 THR HG1 2.200 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
761 1 116 HIS H 1 117 PHE H 4.000 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
762 1 100 PHE H 1 116 HIS H 4.000 . 5.000 5.111 5.111 5.111 0.111 1 0 "[ ]" 1
763 1 116 HIS H 1 116 HIS HD1 4.000 . 7.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
764 1 115 THR HA 1 116 HIS H 3.000 . 3.500 2.579 2.579 2.579 . 0 0 "[ ]" 1
765 1 116 HIS H 1 116 HIS HA 3.000 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
766 1 115 THR HB 1 116 HIS H 2.000 . 2.800 2.626 2.626 2.626 . 0 0 "[ ]" 1
767 1 116 HIS H 1 116 HIS QB 3.000 . 4.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
768 1 100 PHE QB 1 116 HIS H 4.000 . 5.500 3.225 3.225 3.225 . 0 0 "[ ]" 1
769 1 116 HIS H 1 119 GLN QG 5.000 . 6.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
770 1 116 HIS H 1 119 GLN QB 3.000 . 4.000 3.180 3.180 3.180 . 0 0 "[ ]" 1
771 1 115 THR HG1 1 116 HIS H 2.200 . 3.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
772 1 116 HIS H 1 122 ILE QG 3.000 . 5.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
773 1 116 HIS H 1 122 ILE MD 4.000 . 6.500 2.165 2.165 2.165 . 0 0 "[ ]" 1
774 1 117 PHE H 1 118 GLY H 5.000 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
775 1 116 HIS HA 1 117 PHE H 2.200 . 2.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
776 1 116 HIS QB 1 117 PHE H 4.000 . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
777 1 117 PHE H 1 117 PHE QB 3.000 . 4.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
778 1 117 PHE H 1 122 ILE MD 4.000 . 6.500 2.738 2.738 2.738 . 0 0 "[ ]" 1
779 1 118 GLY H 1 119 GLN H 2.000 . 2.300 2.918 2.918 2.918 0.618 1 1 [+] 1
780 1 118 GLY H 1 118 GLY QA 2.200 . 3.000 2.388 2.388 2.388 . 0 0 "[ ]" 1
781 1 117 PHE HA 1 118 GLY H 2.200 . 2.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
782 1 117 PHE QB 1 118 GLY H 3.000 . 4.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
783 1 118 GLY H 1 122 ILE HB 4.000 . 5.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
784 1 118 GLY H 1 122 ILE QG 5.000 . 7.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
785 1 118 GLY H 1 122 ILE MD 3.000 . 5.000 1.859 1.859 1.859 . 0 0 "[ ]" 1
786 1 119 GLN H 1 122 ILE H 5.000 . 6.000 5.036 5.036 5.036 . 0 0 "[ ]" 1
787 1 118 GLY QA 1 119 GLN H 3.000 . 4.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
788 1 119 GLN H 1 119 GLN HA 2.200 . 2.500 2.775 2.775 2.775 0.275 1 0 "[ ]" 1
789 1 117 PHE HA 1 119 GLN H 4.000 . 5.000 4.034 4.034 4.034 . 0 0 "[ ]" 1
790 1 119 GLN H 1 119 GLN QB 2.200 . 3.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
791 1 119 GLN H 1 119 GLN QG 3.000 . 4.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
792 1 119 GLN H 1 122 ILE MD 3.000 . 5.000 1.752 1.752 1.752 0.048 1 0 "[ ]" 1
793 1 119 GLN H 1 122 ILE QG 3.000 . 5.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
794 1 120 LYS H 1 121 ALA H 3.000 . 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
795 1 119 GLN H 1 120 LYS H 4.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
796 1 119 GLN HA 1 120 LYS H 2.200 . 2.500 2.260 2.260 2.260 . 0 0 "[ ]" 1
797 1 119 GLN QB 1 120 LYS H 2.200 . 3.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
798 1 119 GLN QG 1 120 LYS H 4.000 . 5.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
799 1 120 LYS H 1 120 LYS QB 2.200 . 3.000 2.124 2.124 2.124 . 0 0 "[ ]" 1
800 1 120 LYS H 1 120 LYS QG 4.000 . 5.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
801 1 120 LYS H 1 120 LYS HA 3.000 . 3.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
802 1 119 GLN H 1 121 ALA H 4.000 . 5.000 5.379 5.379 5.379 0.379 1 0 "[ ]" 1
803 1 121 ALA H 1 122 ILE H 4.000 . 5.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
804 1 120 LYS HA 1 121 ALA H 5.000 . 6.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
805 1 120 LYS QB 1 121 ALA H 2.200 . 3.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
806 1 119 GLN QB 1 121 ALA H 2.200 . 3.000 2.139 2.139 2.139 . 0 0 "[ ]" 1
807 1 121 ALA H 1 121 ALA MB 2.200 . 3.000 2.241 2.241 2.241 . 0 0 "[ ]" 1
808 1 120 LYS H 1 122 ILE H 4.000 . 5.000 4.906 4.906 4.906 . 0 0 "[ ]" 1
809 1 122 ILE H 1 123 LEU H 2.200 . 2.500 3.158 3.158 3.158 0.658 1 1 [+] 1
810 1 120 LYS HA 1 122 ILE H 5.000 . 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
811 1 122 ILE H 1 122 ILE HB 3.000 . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
812 1 121 ALA MB 1 122 ILE H 3.000 . 4.500 2.193 2.193 2.193 . 0 0 "[ ]" 1
813 1 122 ILE H 1 122 ILE QG 3.000 . 5.500 1.557 1.557 1.557 0.243 1 0 "[ ]" 1
814 1 122 ILE H 1 122 ILE MD 3.000 . 4.500 3.166 3.166 3.166 . 0 0 "[ ]" 1
815 1 120 LYS QB 1 122 ILE H 4.500 . 6.000 5.145 5.145 5.145 . 0 0 "[ ]" 1
816 1 123 LEU H 1 124 PHE H 4.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
817 1 123 LEU H 1 123 LEU HA 3.000 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
818 1 122 ILE HA 1 123 LEU H 5.000 . 6.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
819 1 120 LYS HA 1 123 LEU H 3.000 . 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 1
820 1 122 ILE HB 1 123 LEU H 5.000 . 6.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
821 1 123 LEU H 1 123 LEU QB 2.200 . 3.000 1.983 1.983 1.983 . 0 0 "[ ]" 1
822 1 123 LEU H 1 123 LEU QD 3.000 . 5.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
823 1 122 ILE MD 1 123 LEU H 4.000 . 6.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
824 1 124 PHE H 1 124 PHE QD 3.000 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
825 1 86 TYR QE 1 124 PHE H 4.000 . 7.000 5.791 5.791 5.791 . 0 0 "[ ]" 1
826 1 123 LEU HA 1 124 PHE H 2.200 . 2.500 2.121 2.121 2.121 . 0 0 "[ ]" 1
827 1 124 PHE H 1 124 PHE QB 3.000 . 3.800 2.291 2.291 2.291 . 0 0 "[ ]" 1
828 1 123 LEU QB 1 124 PHE H 3.000 . 3.800 3.560 3.560 3.560 . 0 0 "[ ]" 1
829 1 123 LEU QD 1 124 PHE H 3.000 . 5.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
830 1 88 THR HG1 1 124 PHE H 4.000 . 6.000 4.525 4.525 4.525 . 0 0 "[ ]" 1
831 1 124 PHE H 1 125 LEU H 5.000 . 6.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
832 1 124 PHE QD 1 125 LEU H 4.000 . 7.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
833 1 7 TYR QD 1 125 LEU H 3.000 . 5.500 3.855 3.855 3.855 . 0 0 "[ ]" 1
834 1 124 PHE HA 1 125 LEU H 3.000 . 3.500 2.009 2.009 2.009 . 0 0 "[ ]" 1
835 1 8 CYS HA 1 125 LEU H 4.000 . 5.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
836 1 7 TYR QB 1 125 LEU H 5.000 . 6.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
837 1 124 PHE QB 1 125 LEU H 3.000 . 4.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
838 1 125 LEU H 1 125 LEU QB 3.000 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
839 1 125 LEU H 1 125 LEU HG 4.000 . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
840 1 125 LEU H 1 125 LEU QD 4.000 . 6.500 3.160 3.160 3.160 . 0 0 "[ ]" 1
841 1 7 TYR H 1 127 LEU H 5.000 . 6.000 4.853 4.853 4.853 . 0 0 "[ ]" 1
842 1 126 PRO HA 1 127 LEU H 2.200 . 2.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
843 1 127 LEU H 1 127 LEU HA 3.000 . 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
844 1 127 LEU H 1 128 PRO QD 4.000 . 5.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
845 1 127 LEU H 1 127 LEU QB 3.000 . 4.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
846 1 127 LEU H 1 127 LEU HG 3.000 . 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
847 1 127 LEU H 1 127 LEU QD 4.000 . 6.500 1.832 1.832 1.832 . 0 0 "[ ]" 1
848 1 5 LEU H 1 129 VAL H 5.000 . 6.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
849 1 4 LYS HA 1 129 VAL H 4.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
850 1 128 PRO HA 1 129 VAL H 3.000 . 3.500 3.304 3.304 3.304 . 0 0 "[ ]" 1
851 1 129 VAL H 1 129 VAL HA 2.200 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 1
852 1 128 PRO QG 1 129 VAL H 3.000 . 4.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
853 1 129 VAL H 1 129 VAL HB 2.200 . 2.500 2.608 2.608 2.608 0.108 1 0 "[ ]" 1
854 1 129 VAL H 1 129 VAL QG 2.200 . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
855 1 4 LYS QB 1 129 VAL H 4.000 . 5.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
856 1 129 VAL HA 1 130 SER H 3.000 . 3.500 3.428 3.428 3.428 . 0 0 "[ ]" 1
857 1 130 SER H 1 130 SER HA 3.000 . 3.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
858 1 130 SER H 1 130 SER QB 3.000 . 4.000 2.845 2.845 2.845 . 0 0 "[ ]" 1
859 1 128 PRO QG 1 130 SER H 5.000 . 6.500 5.989 5.989 5.989 . 0 0 "[ ]" 1
860 1 129 VAL HB 1 130 SER H 2.200 . 2.500 2.495 2.495 2.495 . 0 0 "[ ]" 1
861 1 129 VAL QG 1 130 SER H 2.200 . 3.500 2.033 2.033 2.033 . 0 0 "[ ]" 1
862 1 131 SER H 1 132 ASP H 3.000 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
863 1 131 SER H 1 131 SER HA 3.000 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
864 1 130 SER HA 1 131 SER H 3.000 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
865 1 131 SER H 1 131 SER QB 2.200 . 3.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
866 1 129 VAL QG 1 131 SER H 5.000 . 7.000 3.994 3.994 3.994 . 0 0 "[ ]" 1
867 1 131 SER HA 1 132 ASP H 3.000 . 3.500 3.445 3.445 3.445 . 0 0 "[ ]" 1
868 1 132 ASP H 1 132 ASP HA 3.000 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
869 1 131 SER QB 1 132 ASP H 2.200 . 3.000 2.077 2.077 2.077 . 0 0 "[ ]" 1
870 1 132 ASP H 1 132 ASP QB 2.000 . 2.800 2.050 2.050 2.050 . 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 87
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.186
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0200
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.1864
_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 5 LEU 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.000 0.000 . 0 "[ ]"
1 7 TYR 0.000 0.000 . 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 13 TYR 0.000 0.000 . 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 47 TYR 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.000 0.000 . 0 "[ ]"
1 57 LEU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 MET 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.000 0.000 . 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 88 THR 0.000 0.000 . 0 "[ ]"
1 89 TYR 0.000 0.000 . 0 "[ ]"
1 90 LYS 0.000 0.000 . 0 "[ ]"
1 91 SER 0.000 0.000 . 0 "[ ]"
1 92 LYS 0.000 0.000 . 0 "[ ]"
1 100 PHE 0.186 0.186 1 0 "[ ]"
1 101 VAL 0.000 0.000 . 0 "[ ]"
1 102 GLY 0.000 0.000 . 0 "[ ]"
1 103 ILE 0.000 0.000 . 0 "[ ]"
1 112 GLY 0.000 0.000 . 0 "[ ]"
1 115 THR 0.186 0.186 1 0 "[ ]"
1 117 PHE 0.000 0.000 . 0 "[ ]"
1 122 ILE 0.000 0.000 . 0 "[ ]"
1 124 PHE 0.000 0.000 . 0 "[ ]"
1 125 LEU 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 7 TYR HA 1 7 TYR QD 3.500 . 5.500 2.168 2.168 2.168 . 0 0 "[ ]" 2
2 1 7 TYR HA 1 7 TYR QE 3.500 . 5.500 4.314 4.314 4.314 . 0 0 "[ ]" 2
3 1 7 TYR QD 1 13 TYR HA 3.500 . 5.500 3.664 3.664 3.664 . 0 0 "[ ]" 2
4 1 7 TYR QE 1 13 TYR HA 3.500 . 5.500 2.597 2.597 2.597 . 0 0 "[ ]" 2
5 1 7 TYR QD 1 14 PHE QD 3.500 . 5.500 2.501 2.501 2.501 . 0 0 "[ ]" 2
6 1 7 TYR QE 1 14 PHE QD 3.500 . 5.500 4.092 4.092 4.092 . 0 0 "[ ]" 2
7 1 7 TYR QD 1 14 PHE HA 3.500 . 5.500 2.292 2.292 2.292 . 0 0 "[ ]" 2
8 1 7 TYR QE 1 14 PHE HA 3.500 . 5.500 4.276 4.276 4.276 . 0 0 "[ ]" 2
9 1 7 TYR QD 1 8 CYS HA 3.500 . 5.500 4.610 4.610 4.610 . 0 0 "[ ]" 2
10 1 7 TYR QD 1 125 LEU QD 3.500 . 5.500 2.208 2.208 2.208 . 0 0 "[ ]" 2
11 1 7 TYR QE 1 125 LEU QD 3.500 . 5.500 2.809 2.809 2.809 . 0 0 "[ ]" 2
12 1 7 TYR QD 1 125 LEU QB 3.500 . 5.500 1.844 1.844 1.844 . 0 0 "[ ]" 2
13 1 7 TYR QE 1 125 LEU QB 3.500 . 5.500 3.756 3.756 3.756 . 0 0 "[ ]" 2
14 1 14 PHE HA 1 14 PHE QD 3.500 . 5.500 2.149 2.149 2.149 . 0 0 "[ ]" 2
15 1 14 PHE HA 1 14 PHE QE 3.500 . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 2
16 1 5 LEU HG 1 14 PHE QD 3.500 . 5.500 4.117 4.117 4.117 . 0 0 "[ ]" 2
17 1 5 LEU QD 1 14 PHE QD 3.500 . 5.500 2.572 2.572 2.572 . 0 0 "[ ]" 2
18 1 5 LEU QB 1 14 PHE QD 3.500 . 5.500 2.120 2.120 2.120 . 0 0 "[ ]" 2
19 1 7 TYR HA 1 14 PHE QD 3.500 . 5.500 2.706 2.706 2.706 . 0 0 "[ ]" 2
20 1 77 PHE QD 1 89 TYR QB 4.000 . 6.500 3.120 3.120 3.120 . 0 0 "[ ]" 2
21 1 77 PHE QD 1 91 SER HA 3.500 . 5.500 3.898 3.898 3.898 . 0 0 "[ ]" 2
22 1 77 PHE QD 1 91 SER QB 3.500 . 5.500 3.624 3.624 3.624 . 0 0 "[ ]" 2
23 1 57 LEU QD 1 77 PHE QD 4.000 . 6.500 3.603 3.603 3.603 . 0 0 "[ ]" 2
24 1 48 ILE MD 1 77 PHE QD 3.500 . 5.500 2.027 2.027 2.027 . 0 0 "[ ]" 2
25 1 48 ILE QG 1 77 PHE QD 3.500 . 5.500 1.894 1.894 1.894 . 0 0 "[ ]" 2
26 1 46 VAL QG 1 77 PHE QD 4.000 . 6.500 2.880 2.880 2.880 . 0 0 "[ ]" 2
27 1 47 TYR HA 1 77 PHE QD 3.500 . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 2
28 1 48 ILE H 1 77 PHE QD 4.000 . 6.500 3.308 3.308 3.308 . 0 0 "[ ]" 2
29 1 48 ILE MD 1 77 PHE QE 3.500 . 5.500 1.962 1.962 1.962 . 0 0 "[ ]" 2
30 1 47 TYR HA 1 77 PHE QE 3.500 . 5.500 5.463 5.463 5.463 . 0 0 "[ ]" 2
31 1 77 PHE QE 1 92 LYS HA 5.000 . 7.500 4.498 4.498 4.498 . 0 0 "[ ]" 2
32 1 77 PHE QE 1 90 LYS HA 3.500 . 5.500 2.990 2.990 2.990 . 0 0 "[ ]" 2
33 1 48 ILE H 1 77 PHE QE 3.500 . 5.500 4.170 4.170 4.170 . 0 0 "[ ]" 2
34 1 48 ILE QG 1 77 PHE QE 3.500 . 5.500 2.322 2.322 2.322 . 0 0 "[ ]" 2
35 1 57 LEU QD 1 77 PHE QE 3.500 . 5.500 1.934 1.934 1.934 . 0 0 "[ ]" 2
36 1 57 LEU HG 1 77 PHE QE 3.500 . 5.500 2.174 2.174 2.174 . 0 0 "[ ]" 2
37 1 58 ALA HA 1 77 PHE QE 3.500 . 5.500 2.243 2.243 2.243 . 0 0 "[ ]" 2
38 1 58 ALA MB 1 77 PHE QE 4.000 . 6.500 3.719 3.719 3.719 . 0 0 "[ ]" 2
39 1 59 MET HA 1 77 PHE QE 3.500 . 5.500 4.256 4.256 4.256 . 0 0 "[ ]" 2
40 1 59 MET QB 1 77 PHE QE 3.500 . 5.500 3.162 3.162 3.162 . 0 0 "[ ]" 2
41 1 89 TYR HA 1 89 TYR QD 3.500 . 5.500 2.236 2.236 2.236 . 0 0 "[ ]" 2
42 1 48 ILE MD 1 89 TYR QD 3.500 . 5.500 2.985 2.985 2.985 . 0 0 "[ ]" 2
43 1 48 ILE QG 1 89 TYR QD 3.500 . 5.500 3.476 3.476 3.476 . 0 0 "[ ]" 2
44 1 89 TYR QD 1 101 VAL QG 3.500 . 5.500 2.778 2.778 2.778 . 0 0 "[ ]" 2
45 1 89 TYR QD 1 101 VAL HB 3.500 . 5.500 4.651 4.651 4.651 . 0 0 "[ ]" 2
46 1 89 TYR QD 1 124 PHE QD 3.500 . 5.500 1.923 1.923 1.923 . 0 0 "[ ]" 2
47 1 6 LEU QD 1 89 TYR QD 3.500 . 5.500 2.977 2.977 2.977 . 0 0 "[ ]" 2
48 1 89 TYR QD 1 124 PHE QB 3.500 . 5.500 1.925 1.925 1.925 . 0 0 "[ ]" 2
49 1 89 TYR QD 1 124 PHE H 3.500 . 5.500 3.785 3.785 3.785 . 0 0 "[ ]" 2
50 1 77 PHE QB 1 89 TYR QD 3.500 . 5.500 3.338 3.338 3.338 . 0 0 "[ ]" 2
51 1 46 VAL QG 1 89 TYR QD 3.500 . 5.500 2.061 2.061 2.061 . 0 0 "[ ]" 2
52 1 48 ILE MG 1 89 TYR QD 3.500 . 5.500 3.521 3.521 3.521 . 0 0 "[ ]" 2
53 1 89 TYR HA 1 89 TYR QE 3.500 . 5.500 4.121 4.121 4.121 . 0 0 "[ ]" 2
54 1 48 ILE MD 1 89 TYR QE 3.500 . 5.500 4.160 4.160 4.160 . 0 0 "[ ]" 2
55 1 89 TYR QE 1 124 PHE QD 3.500 . 5.500 3.401 3.401 3.401 . 0 0 "[ ]" 2
56 1 6 LEU QD 1 89 TYR QE 3.500 . 5.500 2.953 2.953 2.953 . 0 0 "[ ]" 2
57 1 89 TYR QE 1 124 PHE HA 5.000 . 7.000 4.699 4.699 4.699 . 0 0 "[ ]" 2
58 1 89 TYR QE 1 124 PHE QB 3.500 . 5.500 2.063 2.063 2.063 . 0 0 "[ ]" 2
59 1 89 TYR QE 1 124 PHE H 3.500 . 5.500 3.770 3.770 3.770 . 0 0 "[ ]" 2
60 1 46 VAL QG 1 89 TYR QE 3.500 . 5.500 2.581 2.581 2.581 . 0 0 "[ ]" 2
61 1 87 ASN QB 1 89 TYR QE 3.500 . 5.500 2.824 2.824 2.824 . 0 0 "[ ]" 2
62 1 6 LEU QD 1 124 PHE QD 3.500 . 5.500 1.972 1.972 1.972 . 0 0 "[ ]" 2
63 1 89 TYR QB 1 124 PHE QD 3.500 . 5.500 2.835 2.835 2.835 . 0 0 "[ ]" 2
64 1 8 CYS QB 1 124 PHE QD 5.000 . 7.500 2.213 2.213 2.213 . 0 0 "[ ]" 2
65 1 8 CYS HA 1 124 PHE QD 3.500 . 5.500 2.246 2.246 2.246 . 0 0 "[ ]" 2
66 1 6 LEU QB 1 124 PHE QD 3.500 . 5.500 2.599 2.599 2.599 . 0 0 "[ ]" 2
67 1 15 LEU QB 1 124 PHE QD 3.500 . 5.500 4.023 4.023 4.023 . 0 0 "[ ]" 2
68 1 15 LEU QD 1 124 PHE QD 3.500 . 5.500 3.217 3.217 3.217 . 0 0 "[ ]" 2
69 1 103 ILE HB 1 124 PHE QD 3.500 . 5.500 4.845 4.845 4.845 . 0 0 "[ ]" 2
70 1 103 ILE HB 1 124 PHE QE 3.500 . 5.500 3.309 3.309 3.309 . 0 0 "[ ]" 2
71 1 103 ILE QG 1 124 PHE QD 3.500 . 5.500 3.053 3.053 3.053 . 0 0 "[ ]" 2
72 1 103 ILE QG 1 124 PHE QE 3.500 . 5.500 2.308 2.308 2.308 . 0 0 "[ ]" 2
73 1 102 GLY QA 1 124 PHE QE 3.500 . 5.500 2.214 2.214 2.214 . 0 0 "[ ]" 2
74 1 15 LEU QD 1 124 PHE QE 3.500 . 5.500 1.823 1.823 1.823 . 0 0 "[ ]" 2
75 1 6 LEU QB 1 124 PHE QE 3.500 . 5.500 3.008 3.008 3.008 . 0 0 "[ ]" 2
76 1 100 PHE QD 1 115 THR HB 3.500 . 5.500 3.593 3.593 3.593 . 0 0 "[ ]" 2
77 1 100 PHE QD 1 115 THR HA 3.500 . 5.500 5.686 5.686 5.686 0.186 1 0 "[ ]" 2
78 1 100 PHE QD 1 115 THR HG1 3.500 . 5.000 3.286 3.286 3.286 . 0 0 "[ ]" 2
79 1 100 PHE QD 1 115 THR HG1 3.500 . 5.500 4.848 4.848 4.848 . 0 0 "[ ]" 2
80 1 100 PHE QD 1 117 PHE H 3.500 . 5.500 4.252 4.252 4.252 . 0 0 "[ ]" 2
81 1 100 PHE QD 1 122 ILE HB 3.500 . 5.500 2.418 2.418 2.418 . 0 0 "[ ]" 2
82 1 100 PHE QD 1 122 ILE MD 3.500 . 5.500 3.399 3.399 3.399 . 0 0 "[ ]" 2
83 1 89 TYR QB 1 100 PHE QD 4.000 . 6.500 4.975 4.975 4.975 . 0 0 "[ ]" 2
84 1 88 THR HG1 1 100 PHE QD 3.500 . 5.500 3.137 3.137 3.137 . 0 0 "[ ]" 2
85 1 100 PHE QB 1 115 THR HG1 3.500 . 5.500 2.927 2.927 2.927 . 0 0 "[ ]" 2
86 1 115 THR HG1 1 122 ILE QG 3.500 . 5.500 3.966 3.966 3.966 . 0 0 "[ ]" 2
87 1 112 GLY QA 1 115 THR HG1 3.500 . 5.500 2.780 2.780 2.780 . 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 18
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.552
_Distance_constraint_stats_list.Viol_max 0.369
_Distance_constraint_stats_list.Viol_rms 0.0909
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0307
_Distance_constraint_stats_list.Viol_average_violations_only 0.1840
_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 4 LYS 0.099 0.099 1 0 "[ ]"
1 6 LEU 0.084 0.084 1 0 "[ ]"
1 7 TYR 0.000 0.000 . 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 17 ILE 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 SER 0.000 0.000 . 0 "[ ]"
1 56 TYR 0.000 0.000 . 0 "[ ]"
1 57 LEU 0.000 0.000 . 0 "[ ]"
1 59 MET 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.000 0.000 . 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.000 0.000 . 0 "[ ]"
1 78 LEU 0.000 0.000 . 0 "[ ]"
1 79 GLU 0.369 0.369 1 0 "[ ]"
1 81 LEU 0.000 0.000 . 0 "[ ]"
1 86 TYR 0.000 0.000 . 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 89 TYR 0.369 0.369 1 0 "[ ]"
1 90 LYS 0.000 0.000 . 0 "[ ]"
1 91 SER 0.000 0.000 . 0 "[ ]"
1 100 PHE 0.000 0.000 . 0 "[ ]"
1 124 PHE 0.000 0.000 . 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 PRO 0.084 0.084 1 0 "[ ]"
1 128 PRO 0.099 0.099 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 4 LYS HA 1 128 PRO HA 3.000 . 4.000 4.099 4.099 4.099 0.099 1 0 "[ ]" 3
2 1 6 LEU HA 1 126 PRO HA 2.500 . 3.500 3.584 3.584 3.584 0.084 1 0 "[ ]" 3
3 1 8 CYS HA 1 124 PHE HA 2.500 . 3.500 2.065 2.065 2.065 . 0 0 "[ ]" 3
4 1 7 TYR HA 1 14 PHE HA 3.000 . 4.000 1.977 1.977 1.977 . 0 0 "[ ]" 3
5 1 15 LEU HA 1 25 GLY QA 2.500 . 4.000 2.965 2.965 2.965 . 0 0 "[ ]" 3
6 1 36 LEU HA 1 50 SER HA 2.500 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 3
7 1 38 PHE HA 1 48 ILE HA 3.000 . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 3
8 1 40 ALA HA 1 46 VAL HA 2.500 . 3.500 1.876 1.876 1.876 . 0 0 "[ ]" 3
9 1 45 GLU HA 1 78 LEU HA 3.000 . 3.500 1.907 1.907 1.907 . 0 0 "[ ]" 3
10 1 86 TYR HA 1 125 LEU HA 4.000 . 5.000 2.946 2.946 2.946 . 0 0 "[ ]" 3
11 1 81 LEU HA 1 87 ASN HA 2.500 . 3.500 2.187 2.187 2.187 . 0 0 "[ ]" 3
12 1 79 GLU HA 1 89 TYR HA 3.000 . 4.000 4.369 4.369 4.369 0.369 1 0 "[ ]" 3
13 1 77 PHE HA 1 91 SER HA 3.500 2.300 4.500 3.693 3.693 3.693 . 0 0 "[ ]" 3
14 1 49 LYS HA 1 56 TYR HA 3.000 . 4.000 1.814 1.814 1.814 . 0 0 "[ ]" 3
15 1 59 MET HA 1 65 LEU HA 3.000 . 4.000 2.103 2.103 2.103 . 0 0 "[ ]" 3
16 1 57 LEU HA 1 67 ALA HA 2.500 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 3
17 1 17 ILE HA 1 23 VAL HA 2.500 . 3.000 2.180 2.180 2.180 . 0 0 "[ ]" 3
18 1 90 LYS HA 1 100 PHE HA 4.000 . 5.000 4.824 4.824 4.824 . 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 154
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 0.735
_Distance_constraint_stats_list.Viol_max 0.246
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0735
_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 4 LYS 0.000 0.000 . 0 "[ ]"
1 5 LEU 0.111 0.111 1 0 "[ ]"
1 6 LEU 0.072 0.072 1 0 "[ ]"
1 7 TYR 0.000 0.000 . 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.000 0.000 . 0 "[ ]"
1 11 GLY 0.000 0.000 . 0 "[ ]"
1 13 TYR 0.057 0.057 1 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 16 ARG 0.000 0.000 . 0 "[ ]"
1 17 ILE 0.000 0.000 . 0 "[ ]"
1 18 PHE 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 ASP 0.000 0.000 . 0 "[ ]"
1 21 GLY 0.000 0.000 . 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.037 0.037 1 0 "[ ]"
1 24 ASP 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.059 0.059 1 0 "[ ]"
1 26 THR 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.000 0.000 . 0 "[ ]"
1 28 ASP 0.246 0.246 1 0 "[ ]"
1 31 ASP 0.246 0.246 1 0 "[ ]"
1 33 TYR 0.000 0.000 . 0 "[ ]"
1 34 ILE 0.000 0.000 . 0 "[ ]"
1 35 GLN 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.008 0.008 1 0 "[ ]"
1 37 GLN 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 42 SER 0.000 0.000 . 0 "[ ]"
1 43 VAL 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 47 TYR 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.080 0.072 1 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 SER 0.000 0.000 . 0 "[ ]"
1 51 LEU 0.000 0.000 . 0 "[ ]"
1 53 THR 0.000 0.000 . 0 "[ ]"
1 55 GLN 0.000 0.000 . 0 "[ ]"
1 56 TYR 0.000 0.000 . 0 "[ ]"
1 57 LEU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 MET 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.090 0.090 1 0 "[ ]"
1 66 TYR 0.000 0.000 . 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 68 SER 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
1 75 CYS 0.000 0.000 . 0 "[ ]"
1 76 LEU 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.029 0.029 1 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 GLU 0.000 0.000 . 0 "[ ]"
1 84 ASN 0.029 0.029 1 0 "[ ]"
1 85 ASN 0.000 0.000 . 0 "[ ]"
1 86 TYR 0.000 0.000 . 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 88 THR 0.000 0.000 . 0 "[ ]"
1 89 TYR 0.000 0.000 . 0 "[ ]"
1 92 LYS 0.000 0.000 . 0 "[ ]"
1 93 VAL 0.000 0.000 . 0 "[ ]"
1 101 VAL 0.117 0.090 1 0 "[ ]"
1 102 GLY 0.000 0.000 . 0 "[ ]"
1 103 ILE 0.115 0.059 1 0 "[ ]"
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 109 THR 0.037 0.037 1 0 "[ ]"
1 112 GLY 0.000 0.000 . 0 "[ ]"
1 115 THR 0.000 0.000 . 0 "[ ]"
1 119 GLN 0.000 0.000 . 0 "[ ]"
1 120 LYS 0.000 0.000 . 0 "[ ]"
1 121 ALA 0.000 0.000 . 0 "[ ]"
1 122 ILE 0.000 0.000 . 0 "[ ]"
1 123 LEU 0.000 0.000 . 0 "[ ]"
1 124 PHE 0.027 0.027 1 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 PRO 0.000 0.000 . 0 "[ ]"
1 127 LEU 0.000 0.000 . 0 "[ ]"
1 129 VAL 0.111 0.111 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 5 LEU QD 1 129 VAL HB 4.000 . 6.500 2.539 2.539 2.539 . 0 0 "[ ]" 4
2 1 5 LEU QD 1 129 VAL QG 4.000 . 6.500 1.689 1.689 1.689 0.111 1 0 "[ ]" 4
3 1 48 ILE MD 1 101 VAL QG 5.000 . 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 4
4 1 92 LYS QB 1 93 VAL HB 4.000 . 6.000 3.216 3.216 3.216 . 0 0 "[ ]" 4
5 1 73 GLU QB 1 93 VAL HB 4.000 . 6.000 3.227 3.227 3.227 . 0 0 "[ ]" 4
6 1 40 ALA HA 1 46 VAL HB 4.000 . 4.500 2.199 2.199 2.199 . 0 0 "[ ]" 4
7 1 38 PHE QD 1 46 VAL QG 4.000 . 6.000 2.170 2.170 2.170 . 0 0 "[ ]" 4
8 1 46 VAL QG 1 48 ILE MD 4.000 . 6.000 3.268 3.268 3.268 . 0 0 "[ ]" 4
9 1 46 VAL QG 1 77 PHE QB 4.000 . 6.000 2.093 2.093 2.093 . 0 0 "[ ]" 4
10 1 46 VAL QG 1 77 PHE H 4.000 . 6.000 3.961 3.961 3.961 . 0 0 "[ ]" 4
11 1 16 ARG H 1 23 VAL HB 5.000 . 7.000 5.555 5.555 5.555 . 0 0 "[ ]" 4
12 1 5 LEU QD 1 14 PHE QB 4.000 . 6.500 2.317 2.317 2.317 . 0 0 "[ ]" 4
13 1 5 LEU QD 1 129 VAL HA 4.000 . 6.000 4.325 4.325 4.325 . 0 0 "[ ]" 4
14 1 5 LEU HG 1 129 VAL QG 2.200 . 3.200 2.084 2.084 2.084 . 0 0 "[ ]" 4
15 1 5 LEU HG 1 35 GLN HA 4.000 . 5.500 4.111 4.111 4.111 . 0 0 "[ ]" 4
16 1 6 LEU QD 1 126 PRO HA 4.000 . 6.000 3.452 3.452 3.452 . 0 0 "[ ]" 4
17 1 6 LEU QD 1 48 ILE MD 4.000 . 6.000 1.728 1.728 1.728 0.072 1 0 "[ ]" 4
18 1 122 ILE MD 1 123 LEU QD 5.000 . 7.000 3.800 3.800 3.800 . 0 0 "[ ]" 4
19 1 125 LEU HA 1 126 PRO QG 5.000 . 6.500 3.852 3.852 3.852 . 0 0 "[ ]" 4
20 1 125 LEU HA 1 126 PRO QD 3.000 . 4.000 1.927 1.927 1.927 . 0 0 "[ ]" 4
21 1 86 TYR HA 1 126 PRO HA 4.000 . 6.000 5.858 5.858 5.858 . 0 0 "[ ]" 4
22 1 86 TYR QB 1 126 PRO HA 5.000 . 6.500 5.927 5.927 5.927 . 0 0 "[ ]" 4
23 1 7 TYR QD 1 126 PRO HA 4.000 . 7.000 6.390 6.390 6.390 . 0 0 "[ ]" 4
24 1 101 VAL H 1 122 ILE MD 5.000 . 6.500 5.073 5.073 5.073 . 0 0 "[ ]" 4
25 1 89 TYR H 1 122 ILE MD 5.000 . 6.500 5.745 5.745 5.745 . 0 0 "[ ]" 4
26 1 119 GLN QB 1 122 ILE MD 4.000 . 6.500 2.128 2.128 2.128 . 0 0 "[ ]" 4
27 1 89 TYR H 1 122 ILE QG 5.000 . 7.000 4.809 4.809 4.809 . 0 0 "[ ]" 4
28 1 119 GLN QB 1 122 ILE QG 4.000 . 7.000 2.070 2.070 2.070 . 0 0 "[ ]" 4
29 1 103 ILE H 1 121 ALA MB 4.000 . 6.000 3.961 3.961 3.961 . 0 0 "[ ]" 4
30 1 121 ALA MB 1 123 LEU H 5.000 . 6.500 4.617 4.617 4.617 . 0 0 "[ ]" 4
31 1 102 GLY QA 1 121 ALA MB 4.000 . 6.500 1.984 1.984 1.984 . 0 0 "[ ]" 4
32 1 10 ASN QB 1 121 ALA MB 4.000 . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 4
33 1 10 ASN QB 1 121 ALA HA 3.000 . 4.500 3.109 3.109 3.109 . 0 0 "[ ]" 4
34 1 121 ALA MB 1 122 ILE QG 4.000 . 5.000 2.550 2.550 2.550 . 0 0 "[ ]" 4
35 1 103 ILE H 1 121 ALA HA 3.000 . 4.000 2.827 2.827 2.827 . 0 0 "[ ]" 4
36 1 121 ALA MB 1 122 ILE MD 5.000 . 7.000 3.966 3.966 3.966 . 0 0 "[ ]" 4
37 1 101 VAL H 1 121 ALA MB 5.000 . 6.500 4.882 4.882 4.882 . 0 0 "[ ]" 4
38 1 101 VAL QG 1 124 PHE QE 4.000 . 7.000 1.773 1.773 1.773 0.027 1 0 "[ ]" 4
39 1 77 PHE QE 1 101 VAL QG 4.000 . 7.000 3.129 3.129 3.129 . 0 0 "[ ]" 4
40 1 25 GLY H 1 103 ILE QG 5.000 . 7.000 2.699 2.699 2.699 . 0 0 "[ ]" 4
41 1 13 TYR QD 1 103 ILE MD 5.000 . 7.500 3.390 3.390 3.390 . 0 0 "[ ]" 4
42 1 13 TYR H 1 103 ILE QG 5.000 . 7.000 3.384 3.384 3.384 . 0 0 "[ ]" 4
43 1 25 GLY QA 1 103 ILE MD 4.000 . 6.000 1.741 1.741 1.741 0.059 1 0 "[ ]" 4
44 1 25 GLY QA 1 103 ILE QG 5.000 . 7.000 2.020 2.020 2.020 . 0 0 "[ ]" 4
45 1 13 TYR QB 1 103 ILE QG 3.000 . 5.500 3.008 3.008 3.008 . 0 0 "[ ]" 4
46 1 13 TYR QB 1 103 ILE MD 3.000 . 5.500 1.743 1.743 1.743 0.057 1 0 "[ ]" 4
47 1 7 TYR QB 1 14 PHE QD 3.500 . 7.000 2.389 2.389 2.389 . 0 0 "[ ]" 4
48 1 7 TYR QB 1 127 LEU QB 3.500 . 6.000 4.096 4.096 4.096 . 0 0 "[ ]" 4
49 1 45 GLU QG 1 76 LEU QD 4.000 . 6.500 3.710 3.710 3.710 . 0 0 "[ ]" 4
50 1 8 CYS QB 1 124 PHE QE 2.200 . 4.700 2.140 2.140 2.140 . 0 0 "[ ]" 4
51 1 8 CYS QB 1 103 ILE MD 4.000 . 6.000 2.755 2.755 2.755 . 0 0 "[ ]" 4
52 1 56 TYR HA 1 67 ALA MB 5.000 . 6.500 5.372 5.372 5.372 . 0 0 "[ ]" 4
53 1 66 TYR QD 1 67 ALA MB 4.000 . 7.000 3.654 3.654 3.654 . 0 0 "[ ]" 4
54 1 7 TYR QB 1 14 PHE HA 4.000 . 6.000 3.556 3.556 3.556 . 0 0 "[ ]" 4
55 1 35 GLN QB 1 51 LEU HG 4.000 . 5.500 4.879 4.879 4.879 . 0 0 "[ ]" 4
56 1 35 GLN QB 1 51 LEU QB 4.000 . 6.000 4.201 4.201 4.201 . 0 0 "[ ]" 4
57 1 35 GLN QB 1 51 LEU QD 5.000 . 7.000 3.931 3.931 3.931 . 0 0 "[ ]" 4
58 1 4 LYS QB 1 126 PRO QB 4.000 . 6.000 3.284 3.284 3.284 . 0 0 "[ ]" 4
59 1 10 ASN QB 1 120 LYS QB 4.000 . 5.500 2.775 2.775 2.775 . 0 0 "[ ]" 4
60 1 11 GLY QA 1 13 TYR QD 2.200 . 5.200 2.728 2.728 2.728 . 0 0 "[ ]" 4
61 1 11 GLY QA 1 13 TYR QE 3.000 . 6.000 3.461 3.461 3.461 . 0 0 "[ ]" 4
62 1 36 LEU QD 1 48 ILE MD 3.000 . 5.500 2.317 2.317 2.317 . 0 0 "[ ]" 4
63 1 36 LEU QD 1 48 ILE QG 5.000 . 7.500 1.792 1.792 1.792 0.008 1 0 "[ ]" 4
64 1 46 VAL QG 1 48 ILE QG 3.000 . 5.500 2.222 2.222 2.222 . 0 0 "[ ]" 4
65 1 48 ILE MD 1 57 LEU QB 4.000 . 6.000 2.552 2.552 2.552 . 0 0 "[ ]" 4
66 1 48 ILE QG 1 57 LEU QB 4.000 . 6.500 1.982 1.982 1.982 . 0 0 "[ ]" 4
67 1 48 ILE QG 1 89 TYR QB 4.000 . 6.000 3.185 3.185 3.185 . 0 0 "[ ]" 4
68 1 48 ILE QG 1 77 PHE QB 4.000 . 6.000 2.924 2.924 2.924 . 0 0 "[ ]" 4
69 1 38 PHE HA 1 48 ILE MD 5.000 . 6.500 4.238 4.238 4.238 . 0 0 "[ ]" 4
70 1 38 PHE HA 1 48 ILE QG 5.000 . 7.000 1.834 1.834 1.834 . 0 0 "[ ]" 4
71 1 48 ILE QG 1 89 TYR QD 3.000 . 6.000 3.116 3.116 3.116 . 0 0 "[ ]" 4
72 1 38 PHE QD 1 48 ILE MD 5.000 . 8.000 5.022 5.022 5.022 . 0 0 "[ ]" 4
73 1 38 PHE QD 1 48 ILE QG 3.000 . 6.000 3.615 3.615 3.615 . 0 0 "[ ]" 4
74 1 48 ILE MD 1 49 LYS H 3.000 . 5.000 4.192 4.192 4.192 . 0 0 "[ ]" 4
75 1 37 GLN H 1 48 ILE MD 4.000 . 5.500 4.657 4.657 4.657 . 0 0 "[ ]" 4
76 1 17 ILE QG 1 50 SER H 5.000 . 7.000 4.377 4.377 4.377 . 0 0 "[ ]" 4
77 1 17 ILE QG 1 23 VAL HA 4.000 . 6.000 1.978 1.978 1.978 . 0 0 "[ ]" 4
78 1 17 ILE QG 1 21 GLY QA 4.000 . 6.000 2.772 2.772 2.772 . 0 0 "[ ]" 4
79 1 17 ILE QG 1 55 GLN QB 4.500 . 6.000 3.677 3.677 3.677 . 0 0 "[ ]" 4
80 1 17 ILE HB 1 21 GLY QA 5.000 . 7.000 1.880 1.880 1.880 . 0 0 "[ ]" 4
81 1 17 ILE HA 1 21 GLY QA 5.000 . 6.500 3.957 3.957 3.957 . 0 0 "[ ]" 4
82 1 23 VAL HB 1 109 THR HG1 3.000 . 3.200 1.763 1.763 1.763 0.037 1 0 "[ ]" 4
83 1 23 VAL HB 1 65 LEU QB 3.000 . 4.500 3.496 3.496 3.496 . 0 0 "[ ]" 4
84 1 23 VAL QG 1 65 LEU QB 4.000 . 6.000 2.648 2.648 2.648 . 0 0 "[ ]" 4
85 1 15 LEU QD 1 24 ASP HA 4.000 . 6.000 2.850 2.850 2.850 . 0 0 "[ ]" 4
86 1 23 VAL HB 1 24 ASP HA 4.000 . 5.500 4.256 4.256 4.256 . 0 0 "[ ]" 4
87 1 24 ASP HA 1 109 THR HG1 2.200 . 3.700 1.914 1.914 1.914 . 0 0 "[ ]" 4
88 1 24 ASP HA 1 108 LYS HA 5.000 . 6.500 2.689 2.689 2.689 . 0 0 "[ ]" 4
89 1 13 TYR QD 1 27 ARG QD 4.000 . 6.000 4.248 4.248 4.248 . 0 0 "[ ]" 4
90 1 13 TYR QE 1 27 ARG QD 3.000 . 5.000 3.340 3.340 3.340 . 0 0 "[ ]" 4
91 1 28 ASP HA 1 31 ASP H 3.000 . 4.000 4.246 4.246 4.246 0.246 1 0 "[ ]" 4
92 1 27 ARG QB 1 28 ASP HA 4.000 . 5.500 4.555 4.555 4.555 . 0 0 "[ ]" 4
93 1 14 PHE QD 1 26 THR HG1 4.000 . 6.500 2.954 2.954 2.954 . 0 0 "[ ]" 4
94 1 14 PHE QD 1 26 THR HA 4.000 . 6.000 5.318 5.318 5.318 . 0 0 "[ ]" 4
95 1 13 TYR QD 1 26 THR HA 3.000 . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 4
96 1 13 TYR QD 1 26 THR HB 5.000 . 7.000 4.751 4.751 4.751 . 0 0 "[ ]" 4
97 1 13 TYR QE 1 26 THR HA 4.000 . 6.000 3.967 3.967 3.967 . 0 0 "[ ]" 4
98 1 26 THR HG1 1 34 ILE HA 4.000 . 5.500 3.845 3.845 3.845 . 0 0 "[ ]" 4
99 1 14 PHE QB 1 26 THR HG1 4.000 . 6.000 1.912 1.912 1.912 . 0 0 "[ ]" 4
100 1 26 THR HG1 1 28 ASP QB 4.000 . 6.000 1.939 1.939 1.939 . 0 0 "[ ]" 4
101 1 26 THR HB 1 28 ASP QB 5.000 . 6.500 4.594 4.594 4.594 . 0 0 "[ ]" 4
102 1 26 THR HA 1 28 ASP QB 4.000 . 5.500 4.352 4.352 4.352 . 0 0 "[ ]" 4
103 1 26 THR HG1 1 31 ASP QB 3.000 . 4.500 2.848 2.848 2.848 . 0 0 "[ ]" 4
104 1 26 THR HG1 1 34 ILE QG 2.200 . 4.200 1.821 1.821 1.821 . 0 0 "[ ]" 4
105 1 26 THR HB 1 34 ILE QG 5.000 . 7.000 3.322 3.322 3.322 . 0 0 "[ ]" 4
106 1 26 THR HG1 1 34 ILE MD 3.000 . 5.000 2.184 2.184 2.184 . 0 0 "[ ]" 4
107 1 40 ALA HA 1 45 GLU H 5.000 . 6.500 6.131 6.131 6.131 . 0 0 "[ ]" 4
108 1 40 ALA MB 1 46 VAL HA 4.000 . 5.500 2.498 2.498 2.498 . 0 0 "[ ]" 4
109 1 40 ALA MB 1 42 SER HA 4.000 . 5.500 4.366 4.366 4.366 . 0 0 "[ ]" 4
110 1 40 ALA MB 1 47 TYR QB 5.000 . 6.500 4.856 4.856 4.856 . 0 0 "[ ]" 4
111 1 40 ALA MB 1 46 VAL QG 3.000 . 5.000 2.134 2.134 2.134 . 0 0 "[ ]" 4
112 1 40 ALA HA 1 46 VAL QG 2.200 . 3.700 3.128 3.128 3.128 . 0 0 "[ ]" 4
113 1 42 SER QB 1 43 VAL HB 3.000 . 4.500 4.265 4.265 4.265 . 0 0 "[ ]" 4
114 1 36 LEU QD 1 50 SER QB 3.000 . 4.500 2.613 2.613 2.613 . 0 0 "[ ]" 4
115 1 33 TYR QD 1 53 THR HG1 3.000 . 4.500 3.412 3.412 3.412 . 0 0 "[ ]" 4
116 1 33 TYR QE 1 53 THR HG1 3.000 . 4.500 2.167 2.167 2.167 . 0 0 "[ ]" 4
117 1 58 ALA MB 1 66 TYR QD 3.000 . 5.000 2.891 2.891 2.891 . 0 0 "[ ]" 4
118 1 58 ALA MB 1 75 CYS HA 3.000 . 4.000 1.926 1.926 1.926 . 0 0 "[ ]" 4
119 1 58 ALA HA 1 75 CYS HA 2.500 . 3.000 2.865 2.865 2.865 . 0 0 "[ ]" 4
120 1 58 ALA MB 1 68 SER QB 3.000 . 5.000 1.941 1.941 1.941 . 0 0 "[ ]" 4
121 1 58 ALA HA 1 68 SER QB 4.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 4
122 1 63 GLY QA 1 112 GLY QA 3.000 . 5.000 3.976 3.976 3.976 . 0 0 "[ ]" 4
123 1 59 MET QG 1 63 GLY QA 2.200 . 3.700 2.497 2.497 2.497 . 0 0 "[ ]" 4
124 1 108 LYS HA 1 109 THR HG1 5.000 . 6.500 2.940 2.940 2.940 . 0 0 "[ ]" 4
125 1 24 ASP QB 1 109 THR HG1 3.000 . 5.000 3.387 3.387 3.387 . 0 0 "[ ]" 4
126 1 23 VAL QG 1 109 THR HG1 2.200 . 3.700 1.844 1.844 1.844 . 0 0 "[ ]" 4
127 1 15 LEU QD 1 109 THR HG1 4.000 . 6.500 1.877 1.877 1.877 . 0 0 "[ ]" 4
128 1 65 LEU HG 1 109 THR HG1 5.000 . 7.000 3.895 3.895 3.895 . 0 0 "[ ]" 4
129 1 65 LEU HG 1 109 THR HB 4.000 . 6.500 5.868 5.868 5.868 . 0 0 "[ ]" 4
130 1 65 LEU QD 1 109 THR HB 4.000 . 6.500 3.039 3.039 3.039 . 0 0 "[ ]" 4
131 1 65 LEU QD 1 66 TYR H 4.000 . 6.000 3.042 3.042 3.042 . 0 0 "[ ]" 4
132 1 65 LEU QD 1 77 PHE QE 3.000 . 5.500 2.795 2.795 2.795 . 0 0 "[ ]" 4
133 1 65 LEU QD 1 77 PHE HZ 3.000 . 5.500 2.106 2.106 2.106 . 0 0 "[ ]" 4
134 1 59 MET HA 1 65 LEU QD 4.000 . 6.000 3.033 3.033 3.033 . 0 0 "[ ]" 4
135 1 65 LEU QD 1 101 VAL QG 3.000 . 5.000 1.710 1.710 1.710 0.090 1 0 "[ ]" 4
136 1 57 LEU QD 1 65 LEU QD 4.000 . 6.500 1.814 1.814 1.814 . 0 0 "[ ]" 4
137 1 88 THR HG1 1 123 LEU QD 4.000 . 6.000 2.815 2.815 2.815 . 0 0 "[ ]" 4
138 1 88 THR HG1 1 122 ILE MD 4.000 . 5.500 1.913 1.913 1.913 . 0 0 "[ ]" 4
139 1 88 THR HG1 1 123 LEU HA 3.000 . 4.500 3.096 3.096 3.096 . 0 0 "[ ]" 4
140 1 115 THR HG1 1 122 ILE MD 3.000 . 5.000 2.592 2.592 2.592 . 0 0 "[ ]" 4
141 1 17 ILE QG 1 57 LEU HA 4.000 . 5.500 3.941 3.941 3.941 . 0 0 "[ ]" 4
142 1 82 GLU QG 1 86 TYR QE 4.000 . 6.500 3.483 3.483 3.483 . 0 0 "[ ]" 4
143 1 82 GLU QB 1 86 TYR QD 4.000 . 6.500 5.303 5.303 5.303 . 0 0 "[ ]" 4
144 1 81 LEU QD 1 82 GLU QG 3.500 . 4.500 1.860 1.860 1.860 . 0 0 "[ ]" 4
145 1 88 THR HG1 1 122 ILE QG 4.000 . 5.500 1.975 1.975 1.975 . 0 0 "[ ]" 4
146 1 18 PHE QB 1 19 PRO QG 4.000 . 6.000 3.669 3.669 3.669 . 0 0 "[ ]" 4
147 1 18 PHE QB 1 19 PRO QD 3.500 . 5.500 1.868 1.868 1.868 . 0 0 "[ ]" 4
148 1 21 GLY QA 1 67 ALA MB 4.000 . 5.500 1.869 1.869 1.869 . 0 0 "[ ]" 4
149 1 43 VAL HB 1 45 GLU QG 4.000 . 5.000 2.064 2.064 2.064 . 0 0 "[ ]" 4
150 1 82 GLU HA 1 83 GLU HA 4.000 . 5.500 4.600 4.600 4.600 . 0 0 "[ ]" 4
151 1 81 LEU QD 1 84 ASN HA 3.500 . 5.000 1.771 1.771 1.771 0.029 1 0 "[ ]" 4
152 1 85 ASN QB 1 86 TYR QD 4.000 . 6.000 1.973 1.973 1.973 . 0 0 "[ ]" 4
153 1 20 ASP QB 1 22 LYS QB 4.000 . 6.000 3.056 3.056 3.056 . 0 0 "[ ]" 4
154 1 81 LEU QD 1 87 ASN HA 5.000 . 6.500 3.388 3.388 3.388 . 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 44
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 1.295
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0790
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0294
_Distance_constraint_stats_list.Viol_average_violations_only 0.1439
_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 4 LYS 0.153 0.114 1 0 "[ ]"
1 6 LEU 0.000 0.000 . 0 "[ ]"
1 7 TYR 0.007 0.007 1 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 13 TYR 0.000 0.000 . 0 "[ ]"
1 14 PHE 0.076 0.076 1 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 16 ARG 0.000 0.000 . 0 "[ ]"
1 24 ASP 0.000 0.000 . 0 "[ ]"
1 26 THR 0.076 0.076 1 0 "[ ]"
1 36 LEU 0.153 0.114 1 0 "[ ]"
1 37 GLN 0.520 0.319 1 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 47 TYR 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.520 0.319 1 0 "[ ]"
1 56 TYR 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 60 ASP 0.020 0.020 1 0 "[ ]"
1 64 GLN 0.020 0.020 1 0 "[ ]"
1 66 TYR 0.000 0.000 . 0 "[ ]"
1 68 SER 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.000 0.000 . 0 "[ ]"
1 78 LEU 0.000 0.000 . 0 "[ ]"
1 80 ARG 0.000 0.000 . 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 88 THR 0.000 0.000 . 0 "[ ]"
1 90 LYS 0.519 0.314 1 0 "[ ]"
1 101 VAL 0.519 0.314 1 0 "[ ]"
1 124 PHE 0.000 0.000 . 0 "[ ]"
1 125 LEU 0.007 0.007 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 6 LEU N 1 15 LEU O 2.700 2.200 3.000 2.851 2.851 2.851 . 0 0 "[ ]" 5
2 1 6 LEU H 1 15 LEU O 2.000 . 2.500 1.868 1.868 1.868 . 0 0 "[ ]" 5
3 1 7 TYR N 1 125 LEU O 2.700 2.200 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 5
4 1 7 TYR H 1 125 LEU O 2.000 . 2.500 2.115 2.115 2.115 . 0 0 "[ ]" 5
5 1 8 CYS N 1 13 TYR O 3.000 . 3.500 3.206 3.206 3.206 . 0 0 "[ ]" 5
6 1 8 CYS H 1 13 TYR O 3.000 . 3.500 2.375 2.375 2.375 . 0 0 "[ ]" 5
7 1 14 PHE N 1 26 THR O 2.700 2.200 3.000 3.076 3.076 3.076 0.076 1 0 "[ ]" 5
8 1 14 PHE H 1 26 THR O 2.000 . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 5
9 1 6 LEU O 1 15 LEU N 2.700 2.200 3.000 2.826 2.826 2.826 . 0 0 "[ ]" 5
10 1 6 LEU O 1 15 LEU H 2.000 . 2.500 1.983 1.983 1.983 . 0 0 "[ ]" 5
11 1 16 ARG O 1 24 ASP N 2.700 2.200 3.000 2.786 2.786 2.786 . 0 0 "[ ]" 5
12 1 16 ARG O 1 24 ASP H 2.000 . 2.500 1.883 1.883 1.883 . 0 0 "[ ]" 5
13 1 14 PHE O 1 26 THR N 2.700 2.200 3.000 2.721 2.721 2.721 . 0 0 "[ ]" 5
14 1 14 PHE O 1 26 THR H 2.000 . 2.500 1.779 1.779 1.779 . 0 0 "[ ]" 5
15 1 4 LYS O 1 36 LEU N 2.700 2.200 3.000 3.114 3.114 3.114 0.114 1 0 "[ ]" 5
16 1 4 LYS O 1 36 LEU H 2.000 . 2.500 2.539 2.539 2.539 0.039 1 0 "[ ]" 5
17 1 37 GLN N 1 49 LYS O 2.700 2.200 3.000 3.319 3.319 3.319 0.319 1 0 "[ ]" 5
18 1 37 GLN H 1 49 LYS O 2.000 . 2.500 2.702 2.702 2.702 0.202 1 0 "[ ]" 5
19 1 46 VAL N 1 77 PHE O 2.700 2.200 3.000 2.775 2.775 2.775 . 0 0 "[ ]" 5
20 1 46 VAL H 1 77 PHE O 2.000 . 2.500 1.989 1.989 1.989 . 0 0 "[ ]" 5
21 1 39 TYR O 1 47 TYR N 2.700 2.200 3.000 2.645 2.645 2.645 . 0 0 "[ ]" 5
22 1 39 TYR O 1 47 TYR H 2.000 . 2.500 1.806 1.806 1.806 . 0 0 "[ ]" 5
23 1 37 GLN O 1 49 LYS N 2.700 2.200 3.000 2.714 2.714 2.714 . 0 0 "[ ]" 5
24 1 37 GLN O 1 49 LYS H 2.000 . 2.500 2.255 2.255 2.255 . 0 0 "[ ]" 5
25 1 56 TYR N 1 68 SER O 2.700 2.200 3.000 2.622 2.622 2.622 . 0 0 "[ ]" 5
26 1 56 TYR H 1 68 SER O 2.000 . 2.500 2.017 2.017 2.017 . 0 0 "[ ]" 5
27 1 58 ALA N 1 66 TYR O 2.700 2.200 3.000 2.847 2.847 2.847 . 0 0 "[ ]" 5
28 1 58 ALA H 1 66 TYR O 2.000 . 2.500 1.844 1.844 1.844 . 0 0 "[ ]" 5
29 1 60 ASP N 1 64 GLN O 2.700 2.200 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 5
30 1 60 ASP H 1 64 GLN O 2.000 . 2.500 2.232 2.232 2.232 . 0 0 "[ ]" 5
31 1 46 VAL O 1 77 PHE N 2.700 2.200 3.000 2.567 2.567 2.567 . 0 0 "[ ]" 5
32 1 46 VAL O 1 77 PHE H 2.000 . 2.500 2.404 2.404 2.404 . 0 0 "[ ]" 5
33 1 78 LEU N 1 90 LYS O 3.500 . 4.000 3.481 3.481 3.481 . 0 0 "[ ]" 5
34 1 78 LEU H 1 90 LYS O 3.500 . 4.000 2.959 2.959 2.959 . 0 0 "[ ]" 5
35 1 90 LYS O 1 101 VAL N 3.500 . 4.000 4.314 4.314 4.314 0.314 1 0 "[ ]" 5
36 1 90 LYS O 1 101 VAL H 3.000 . 3.500 3.705 3.705 3.705 0.205 1 0 "[ ]" 5
37 1 7 TYR O 1 125 LEU N 2.700 2.200 3.000 2.751 2.751 2.751 . 0 0 "[ ]" 5
38 1 7 TYR O 1 125 LEU H 2.000 . 2.500 1.830 1.830 1.830 . 0 0 "[ ]" 5
39 1 4 LYS N 1 36 LEU O 2.700 2.200 3.000 2.733 2.733 2.733 . 0 0 "[ ]" 5
40 1 4 LYS H 1 36 LEU O 2.000 . 2.500 1.928 1.928 1.928 . 0 0 "[ ]" 5
41 1 87 ASN N 1 124 PHE O 2.700 2.200 3.000 2.696 2.696 2.696 . 0 0 "[ ]" 5
42 1 87 ASN H 1 124 PHE O 2.000 . 2.500 1.859 1.859 1.859 . 0 0 "[ ]" 5
43 1 80 ARG O 1 88 THR N 2.700 2.200 3.000 2.829 2.829 2.829 . 0 0 "[ ]" 5
44 1 80 ARG O 1 88 THR H 2.000 . 2.500 1.893 1.893 1.893 . 0 0 "[ ]" 5
stop_
save_
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