NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
369682 |
1bcn   |
4094 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bcn
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 811
_Distance_constraint_stats_list.Viol_count 1025
_Distance_constraint_stats_list.Viol_total 1662.304
_Distance_constraint_stats_list.Viol_max 0.495
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0737
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 ALA 0.228 0.087 13 0 "[ . 1 . 2 ]"
1 5 HIS 1.029 0.211 13 0 "[ . 1 . 2 ]"
1 6 LYS 1.210 0.277 14 0 "[ . 1 . 2 ]"
1 7 CYS 2.770 0.277 14 0 "[ . 1 . 2 ]"
1 8 ASP 0.762 0.254 3 0 "[ . 1 . 2 ]"
1 9 ILE 1.120 0.216 17 0 "[ . 1 . 2 ]"
1 10 THR 1.436 0.216 17 0 "[ . 1 . 2 ]"
1 11 LEU 0.484 0.169 10 0 "[ . 1 . 2 ]"
1 12 GLN 1.332 0.084 7 0 "[ . 1 . 2 ]"
1 13 GLU 1.286 0.084 7 0 "[ . 1 . 2 ]"
1 14 ILE 0.260 0.155 21 0 "[ . 1 . 2 ]"
1 15 ILE 0.894 0.147 14 0 "[ . 1 . 2 ]"
1 16 LYS 1.995 0.147 14 0 "[ . 1 . 2 ]"
1 17 THR 1.633 0.155 21 0 "[ . 1 . 2 ]"
1 18 LEU 0.271 0.056 20 0 "[ . 1 . 2 ]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 0.018 0.013 13 0 "[ . 1 . 2 ]"
1 22 THR 0.044 0.019 22 0 "[ . 1 . 2 ]"
1 23 GLU 0.784 0.082 22 0 "[ . 1 . 2 ]"
1 24 GLN 1.157 0.101 14 0 "[ . 1 . 2 ]"
1 25 LYS 0.363 0.101 14 0 "[ . 1 . 2 ]"
1 26 THR 0.521 0.080 6 0 "[ . 1 . 2 ]"
1 27 LEU 1.316 0.101 15 0 "[ . 1 . 2 ]"
1 28 CYS 2.200 0.101 15 0 "[ . 1 . 2 ]"
1 29 THR 0.043 0.043 4 0 "[ . 1 . 2 ]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 LEU 5.062 0.447 18 0 "[ . 1 . 2 ]"
1 32 THR 4.700 0.447 18 0 "[ . 1 . 2 ]"
1 33 VAL 2.308 0.407 18 0 "[ . 1 . 2 ]"
1 34 THR 1.182 0.140 19 0 "[ . 1 . 2 ]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ILE 0.154 0.049 14 0 "[ . 1 . 2 ]"
1 37 PHE 0.144 0.060 5 0 "[ . 1 . 2 ]"
1 38 ALA 0.972 0.076 7 0 "[ . 1 . 2 ]"
1 39 ALA 0.689 0.076 7 0 "[ . 1 . 2 ]"
1 40 SER 0.002 0.002 3 0 "[ . 1 . 2 ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 ASP 0.129 0.069 10 0 "[ . 1 . 2 ]"
1 43 THR 1.195 0.229 18 0 "[ . 1 . 2 ]"
1 44 THR 4.926 0.295 19 0 "[ . 1 . 2 ]"
1 45 GLU 0.106 0.034 19 0 "[ . 1 . 2 ]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 1.060 0.295 19 0 "[ . 1 . 2 ]"
1 48 THR 3.003 0.264 20 0 "[ . 1 . 2 ]"
1 49 PHE 0.253 0.068 17 0 "[ . 1 . 2 ]"
1 50 CYS 4.866 0.495 6 0 "[ . 1 . 2 ]"
1 51 ARG 0.463 0.140 15 0 "[ . 1 . 2 ]"
1 52 ALA 0.081 0.018 8 0 "[ . 1 . 2 ]"
1 53 ALA 0.035 0.011 11 0 "[ . 1 . 2 ]"
1 54 THR 0.423 0.140 15 0 "[ . 1 . 2 ]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 GLN 0.242 0.055 18 0 "[ . 1 . 2 ]"
1 59 PHE 0.608 0.107 6 0 "[ . 1 . 2 ]"
1 60 TYR 2.082 0.269 6 0 "[ . 1 . 2 ]"
1 61 SER 0.120 0.120 18 0 "[ . 1 . 2 ]"
1 62 HIS 1.553 0.269 6 0 "[ . 1 . 2 ]"
1 63 HIS 0.962 0.124 6 0 "[ . 1 . 2 ]"
1 64 GLU 0.193 0.123 12 0 "[ . 1 . 2 ]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 THR 0.533 0.148 15 0 "[ . 1 . 2 ]"
1 68 ARG 0.024 0.009 13 0 "[ . 1 . 2 ]"
1 69 CYS 0.377 0.118 15 0 "[ . 1 . 2 ]"
1 70 LEU 0.519 0.148 15 0 "[ . 1 . 2 ]"
1 71 GLY 0.026 0.026 18 0 "[ . 1 . 2 ]"
1 72 ALA 0.227 0.219 18 0 "[ . 1 . 2 ]"
1 73 THR 0.256 0.219 18 0 "[ . 1 . 2 ]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 GLN 0.029 0.029 18 0 "[ . 1 . 2 ]"
1 76 GLN 0.193 0.041 14 0 "[ . 1 . 2 ]"
1 77 PHE 0.374 0.121 18 0 "[ . 1 . 2 ]"
1 78 HIS 1.173 0.080 17 0 "[ . 1 . 2 ]"
1 79 ARG 1.370 0.082 14 0 "[ . 1 . 2 ]"
1 80 HIS 0.068 0.053 15 0 "[ . 1 . 2 ]"
1 81 LYS 0.443 0.057 18 0 "[ . 1 . 2 ]"
1 82 GLN 0.512 0.057 18 0 "[ . 1 . 2 ]"
1 83 LEU 0.275 0.082 14 0 "[ . 1 . 2 ]"
1 84 ILE 0.539 0.121 12 0 "[ . 1 . 2 ]"
1 85 ARG 1.773 0.121 12 0 "[ . 1 . 2 ]"
1 86 PHE 1.349 0.077 5 0 "[ . 1 . 2 ]"
1 87 LEU 0.156 0.070 13 0 "[ . 1 . 2 ]"
1 88 LYS 0.147 0.049 21 0 "[ . 1 . 2 ]"
1 89 ARG 1.224 0.075 5 0 "[ . 1 . 2 ]"
1 90 LEU 1.224 0.075 5 0 "[ . 1 . 2 ]"
1 91 ASP 0.511 0.169 22 0 "[ . 1 . 2 ]"
1 92 ARG 0.699 0.169 22 0 "[ . 1 . 2 ]"
1 93 ASN 1.202 0.148 21 0 "[ . 1 . 2 ]"
1 94 LEU 0.129 0.051 6 0 "[ . 1 . 2 ]"
1 95 TRP 6.938 0.495 6 0 "[ . 1 . 2 ]"
1 96 GLY 0.318 0.127 6 0 "[ . 1 . 2 ]"
1 97 LEU 0.409 0.127 6 0 "[ . 1 . 2 ]"
1 98 ALA 3.131 0.168 14 0 "[ . 1 . 2 ]"
1 99 GLY 3.929 0.437 13 0 "[ . 1 . 2 ]"
1 100 LEU 0.797 0.437 13 0 "[ . 1 . 2 ]"
1 101 ASN 0.922 0.246 7 0 "[ . 1 . 2 ]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 CYS 2.040 0.235 17 0 "[ . 1 . 2 ]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 VAL 2.132 0.235 17 0 "[ . 1 . 2 ]"
1 106 LYS 0.085 0.047 21 0 "[ . 1 . 2 ]"
1 107 GLU 4.328 0.465 18 0 "[ . 1 . 2 ]"
1 108 ALA 0.489 0.212 6 0 "[ . 1 . 2 ]"
1 109 ASP 7.032 0.465 18 0 "[ . 1 . 2 ]"
1 110 GLN 0.549 0.086 20 0 "[ . 1 . 2 ]"
1 111 SER 5.784 0.407 18 0 "[ . 1 . 2 ]"
1 112 THR 0.672 0.136 22 0 "[ . 1 . 2 ]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 114 GLU 1.614 0.080 11 0 "[ . 1 . 2 ]"
1 115 ASN 2.039 0.085 5 0 "[ . 1 . 2 ]"
1 116 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 117 LEU 0.468 0.085 5 0 "[ . 1 . 2 ]"
1 118 GLU 1.356 0.081 7 0 "[ . 1 . 2 ]"
1 119 ARG 5.871 0.410 21 0 "[ . 1 . 2 ]"
1 120 LEU 0.062 0.028 22 0 "[ . 1 . 2 ]"
1 121 LYS 0.472 0.058 7 0 "[ . 1 . 2 ]"
1 122 THR 8.824 0.410 21 0 "[ . 1 . 2 ]"
1 123 ILE 6.037 0.258 21 0 "[ . 1 . 2 ]"
1 124 MET 3.383 0.216 10 0 "[ . 1 . 2 ]"
1 125 ARG 2.583 0.157 12 0 "[ . 1 . 2 ]"
1 126 GLU 0.713 0.075 8 0 "[ . 1 . 2 ]"
1 127 LYS 0.518 0.157 12 0 "[ . 1 . 2 ]"
1 128 TYR 0.103 0.056 21 0 "[ . 1 . 2 ]"
1 129 SER 0.541 0.209 15 0 "[ . 1 . 2 ]"
1 130 LYS 0.212 0.089 12 0 "[ . 1 . 2 ]"
1 131 CYS 0.699 0.209 15 0 "[ . 1 . 2 ]"
1 132 SER 0.050 0.030 5 0 "[ . 1 . 2 ]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
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 3 GLU QB 1 4 ALA H 4.000 . 6.000 3.045 1.988 4.011 . 0 0 "[ . 1 . 2 ]" 1
2 1 4 ALA HA 1 5 HIS H 3.000 . 3.500 2.742 2.187 3.587 0.087 13 0 "[ . 1 . 2 ]" 1
3 1 6 LYS QB 1 7 CYS H 3.000 . 4.300 3.861 3.504 4.024 . 0 0 "[ . 1 . 2 ]" 1
4 1 6 LYS HA 1 7 CYS H 2.500 . 2.700 2.592 2.145 2.977 0.277 14 0 "[ . 1 . 2 ]" 1
5 1 7 CYS H 1 8 ASP H 3.000 . 3.500 2.350 1.881 3.754 0.254 3 0 "[ . 1 . 2 ]" 1
6 1 8 ASP QB 1 9 ILE H 2.500 . 3.700 2.622 1.883 3.514 . 0 0 "[ . 1 . 2 ]" 1
7 1 8 ASP HA 1 9 ILE H 3.000 . 3.500 3.397 2.859 3.584 0.084 13 0 "[ . 1 . 2 ]" 1
8 1 9 ILE HB 1 10 THR H 3.000 . 3.500 2.705 1.964 3.716 0.216 17 0 "[ . 1 . 2 ]" 1
9 1 9 ILE MG 1 10 THR HA 4.000 . 5.800 3.487 2.921 4.295 . 0 0 "[ . 1 . 2 ]" 1
10 1 9 ILE H 1 10 THR H 3.000 . 3.500 2.715 2.327 3.240 . 0 0 "[ . 1 . 2 ]" 1
11 1 10 THR HB 1 11 LEU H 2.500 . 2.700 2.546 2.032 2.869 0.169 10 0 "[ . 1 . 2 ]" 1
12 1 10 THR H 1 11 LEU H 3.000 . 3.300 2.802 2.606 3.122 . 0 0 "[ . 1 . 2 ]" 1
13 1 11 LEU QB 1 12 GLN H 3.000 . 4.500 2.824 2.325 3.189 . 0 0 "[ . 1 . 2 ]" 1
14 1 11 LEU HA 1 12 GLN H 4.000 . 5.000 3.542 3.457 3.608 . 0 0 "[ . 1 . 2 ]" 1
15 1 11 LEU H 1 12 GLN H 2.500 . 2.900 2.680 2.537 2.937 0.037 10 0 "[ . 1 . 2 ]" 1
16 1 12 GLN QB 1 13 GLU H 3.000 . 4.500 2.856 2.173 3.435 . 0 0 "[ . 1 . 2 ]" 1
17 1 12 GLN HA 1 13 GLU H 3.000 . 3.500 3.558 3.500 3.584 0.084 7 0 "[ . 1 . 2 ]" 1
18 1 12 GLN H 1 13 GLU H 2.500 . 2.900 2.709 2.440 2.889 . 0 0 "[ . 1 . 2 ]" 1
19 1 13 GLU QB 1 14 ILE H 2.500 . 3.700 2.812 2.461 3.426 . 0 0 "[ . 1 . 2 ]" 1
20 1 13 GLU H 1 14 ILE H 2.500 . 2.900 2.574 2.299 2.721 . 0 0 "[ . 1 . 2 ]" 1
21 1 14 ILE HB 1 15 ILE H 3.000 . 3.500 3.208 2.990 3.507 0.007 12 0 "[ . 1 . 2 ]" 1
22 1 14 ILE H 1 15 ILE H 2.500 . 2.900 2.559 2.457 2.676 . 0 0 "[ . 1 . 2 ]" 1
23 1 15 ILE HB 1 16 LYS H 2.500 . 2.700 2.709 2.518 2.847 0.147 14 0 "[ . 1 . 2 ]" 1
24 1 15 ILE HA 1 16 LYS H 4.000 . 5.000 3.570 3.547 3.589 . 0 0 "[ . 1 . 2 ]" 1
25 1 15 ILE H 1 16 LYS H 3.000 . 3.500 2.622 2.494 2.798 . 0 0 "[ . 1 . 2 ]" 1
26 1 16 LYS QB 1 17 THR H 2.500 . 3.700 2.584 2.190 2.892 . 0 0 "[ . 1 . 2 ]" 1
27 1 16 LYS HA 1 17 THR H 3.000 . 3.500 3.550 3.495 3.575 0.075 4 0 "[ . 1 . 2 ]" 1
28 1 16 LYS H 1 17 THR H 2.500 . 2.900 2.756 2.597 2.906 0.006 20 0 "[ . 1 . 2 ]" 1
29 1 17 THR HB 1 18 LEU H 2.500 . 2.700 2.662 2.465 2.756 0.056 20 0 "[ . 1 . 2 ]" 1
30 1 17 THR H 1 18 LEU H 2.500 . 2.900 2.658 2.450 2.775 . 0 0 "[ . 1 . 2 ]" 1
31 1 18 LEU QB 1 19 ASN H 2.500 . 3.700 2.495 2.084 2.813 . 0 0 "[ . 1 . 2 ]" 1
32 1 18 LEU H 1 19 ASN H 3.000 . 3.500 2.788 2.614 3.014 . 0 0 "[ . 1 . 2 ]" 1
33 1 19 ASN QB 1 20 SER H 2.500 . 3.700 2.846 2.551 3.140 . 0 0 "[ . 1 . 2 ]" 1
34 1 19 ASN H 1 20 SER H 3.000 . 3.500 2.591 2.328 2.872 . 0 0 "[ . 1 . 2 ]" 1
35 1 20 SER QB 1 21 LEU H 3.000 . 4.500 2.764 2.442 3.531 . 0 0 "[ . 1 . 2 ]" 1
36 1 20 SER HA 1 21 LEU H 4.000 . 5.000 3.546 3.510 3.572 . 0 0 "[ . 1 . 2 ]" 1
37 1 20 SER H 1 21 LEU H 2.500 . 2.900 2.672 2.470 2.801 . 0 0 "[ . 1 . 2 ]" 1
38 1 21 LEU QB 1 22 THR H 3.000 . 4.500 3.071 2.820 3.226 . 0 0 "[ . 1 . 2 ]" 1
39 1 21 LEU HA 1 22 THR H 3.000 . 3.500 3.465 3.423 3.513 0.013 13 0 "[ . 1 . 2 ]" 1
40 1 21 LEU H 1 22 THR H 3.000 . 3.500 2.609 2.468 2.712 . 0 0 "[ . 1 . 2 ]" 1
41 1 22 THR HB 1 23 GLU H 4.000 . 5.000 3.771 3.004 4.626 . 0 0 "[ . 1 . 2 ]" 1
42 1 22 THR HA 1 23 GLU H 3.000 . 3.500 3.347 3.065 3.508 0.008 21 0 "[ . 1 . 2 ]" 1
43 1 22 THR H 1 23 GLU H 3.000 . 3.500 2.651 2.451 2.857 . 0 0 "[ . 1 . 2 ]" 1
44 1 23 GLU HA 1 24 GLN H 3.000 . 3.500 3.530 3.432 3.582 0.082 22 0 "[ . 1 . 2 ]" 1
45 1 23 GLU H 1 24 GLN H 4.000 . 5.000 2.656 2.300 2.895 . 0 0 "[ . 1 . 2 ]" 1
46 1 24 GLN QB 1 25 LYS H 3.000 . 4.300 3.952 3.855 4.017 . 0 0 "[ . 1 . 2 ]" 1
47 1 24 GLN HA 1 25 LYS H 2.500 . 2.700 2.587 2.385 2.801 0.101 14 0 "[ . 1 . 2 ]" 1
48 1 24 GLN H 1 25 LYS H 3.000 . 3.500 3.276 2.826 3.589 0.089 2 0 "[ . 1 . 2 ]" 1
49 1 25 LYS QB 1 26 THR H 4.000 . 6.000 3.966 3.786 4.075 . 0 0 "[ . 1 . 2 ]" 1
50 1 25 LYS HA 1 26 THR H 3.000 . 3.500 2.571 2.191 3.206 . 0 0 "[ . 1 . 2 ]" 1
51 1 26 THR HA 1 27 LEU H 4.000 . 5.000 3.568 3.480 3.597 . 0 0 "[ . 1 . 2 ]" 1
52 1 27 LEU HA 1 28 CYS H 3.000 . 3.500 3.560 3.526 3.601 0.101 15 0 "[ . 1 . 2 ]" 1
53 1 28 CYS QB 1 29 THR H 4.000 . 6.000 3.145 2.899 3.305 . 0 0 "[ . 1 . 2 ]" 1
54 1 28 CYS H 1 29 THR H 3.000 . 3.500 2.441 2.300 2.599 . 0 0 "[ . 1 . 2 ]" 1
55 1 29 THR MG 1 30 GLU QG 4.000 . 7.500 5.535 5.372 5.669 . 0 0 "[ . 1 . 2 ]" 1
56 1 31 LEU QB 1 32 THR H 3.000 . 4.500 2.957 1.842 3.792 . 0 0 "[ . 1 . 2 ]" 1
57 1 31 LEU H 1 32 THR H 3.000 . 3.500 3.714 3.569 3.947 0.447 18 0 "[ . 1 . 2 ]" 1
58 1 31 LEU HA 1 32 THR MG 4.000 . 6.500 4.085 3.611 4.456 . 0 0 "[ . 1 . 2 ]" 1
59 1 32 THR HB 1 33 VAL H 4.000 . 5.000 3.011 2.026 4.217 . 0 0 "[ . 1 . 2 ]" 1
60 1 32 THR HA 1 33 VAL H 3.000 . 3.500 2.315 2.143 2.692 . 0 0 "[ . 1 . 2 ]" 1
61 1 32 THR H 1 33 VAL H 4.000 . 5.000 4.390 2.736 4.703 . 0 0 "[ . 1 . 2 ]" 1
62 1 32 THR HA 1 33 VAL QG 4.000 . 7.400 3.177 2.950 3.508 . 0 0 "[ . 1 . 2 ]" 1
63 1 33 VAL HB 1 34 THR H 4.000 . 5.000 2.203 1.916 3.837 . 0 0 "[ . 1 . 2 ]" 1
64 1 34 THR HB 1 35 ASP H 4.000 . 5.000 4.327 4.179 4.527 . 0 0 "[ . 1 . 2 ]" 1
65 1 34 THR HA 1 35 ASP H 2.500 . 2.700 2.265 2.173 2.367 . 0 0 "[ . 1 . 2 ]" 1
66 1 34 THR H 1 35 ASP H 4.000 . 5.000 4.539 4.232 4.681 . 0 0 "[ . 1 . 2 ]" 1
67 1 36 ILE H 1 37 PHE H 3.000 . 3.500 2.555 1.957 2.842 . 0 0 "[ . 1 . 2 ]" 1
68 1 36 ILE QG 1 37 PHE HA 4.000 . 6.000 3.568 3.250 3.845 . 0 0 "[ . 1 . 2 ]" 1
69 1 36 ILE MD 1 37 PHE HA 4.000 . 6.500 5.157 4.753 5.432 . 0 0 "[ . 1 . 2 ]" 1
70 1 36 ILE MD 1 37 PHE QE 3.000 . 6.800 3.087 2.227 3.535 . 0 0 "[ . 1 . 2 ]" 1
71 1 36 ILE QG 1 37 PHE QE 3.000 . 6.300 2.821 2.298 3.278 . 0 0 "[ . 1 . 2 ]" 1
72 1 36 ILE MG 1 37 PHE QE 4.000 . 8.500 4.405 3.816 4.788 . 0 0 "[ . 1 . 2 ]" 1
73 1 36 ILE MG 1 37 PHE QD 3.000 . 6.800 4.609 4.055 4.969 . 0 0 "[ . 1 . 2 ]" 1
74 1 36 ILE QG 1 37 PHE QD 3.000 . 6.300 2.946 2.611 3.271 . 0 0 "[ . 1 . 2 ]" 1
75 1 36 ILE MD 1 37 PHE HZ 3.000 . 4.800 3.134 2.465 3.483 . 0 0 "[ . 1 . 2 ]" 1
76 1 36 ILE QG 1 37 PHE HZ 3.000 . 4.300 3.479 3.055 3.856 . 0 0 "[ . 1 . 2 ]" 1
77 1 36 ILE MG 1 37 PHE HZ 4.000 . 6.500 5.238 4.658 5.391 . 0 0 "[ . 1 . 2 ]" 1
78 1 37 PHE QB 1 38 ALA H 3.000 . 4.500 3.739 2.688 3.864 . 0 0 "[ . 1 . 2 ]" 1
79 1 37 PHE HA 1 38 ALA H 3.000 . 3.500 2.985 2.831 3.527 0.027 2 0 "[ . 1 . 2 ]" 1
80 1 37 PHE H 1 38 ALA H 2.500 . 2.900 2.627 2.014 2.960 0.060 5 0 "[ . 1 . 2 ]" 1
81 1 38 ALA HA 1 39 ALA H 3.000 . 3.500 3.477 3.107 3.576 0.076 7 0 "[ . 1 . 2 ]" 1
82 1 38 ALA H 1 39 ALA H 3.000 . 3.500 2.380 1.977 2.772 . 0 0 "[ . 1 . 2 ]" 1
83 1 39 ALA MB 1 40 SER H 3.000 . 5.000 3.306 2.108 3.734 . 0 0 "[ . 1 . 2 ]" 1
84 1 39 ALA HA 1 40 SER H 2.500 . 2.700 2.413 2.223 2.702 0.002 3 0 "[ . 1 . 2 ]" 1
85 1 40 SER H 1 41 LYS H 4.000 . 5.000 3.818 2.246 4.464 . 0 0 "[ . 1 . 2 ]" 1
86 1 41 LYS QB 1 42 ASP H 3.000 . 4.500 2.832 1.958 3.852 . 0 0 "[ . 1 . 2 ]" 1
87 1 42 ASP QB 1 43 THR H 4.000 . 6.000 3.810 2.980 4.071 . 0 0 "[ . 1 . 2 ]" 1
88 1 42 ASP H 1 43 THR H 2.500 . 2.900 2.509 1.991 2.969 0.069 10 0 "[ . 1 . 2 ]" 1
89 1 43 THR HB 1 44 THR H 3.000 . 3.500 2.997 1.996 3.729 0.229 18 0 "[ . 1 . 2 ]" 1
90 1 44 THR HA 1 45 GLU H 3.000 . 3.500 2.810 2.513 3.534 0.034 19 0 "[ . 1 . 2 ]" 1
91 1 44 THR H 1 45 GLU H 4.000 . 5.000 4.066 2.160 4.558 . 0 0 "[ . 1 . 2 ]" 1
92 1 46 LYS H 1 47 GLU H 3.000 . 3.500 2.608 2.425 2.874 . 0 0 "[ . 1 . 2 ]" 1
93 1 47 GLU QB 1 48 THR H 2.500 . 3.700 2.605 2.330 2.881 . 0 0 "[ . 1 . 2 ]" 1
94 1 47 GLU HA 1 48 THR H 4.000 . 5.000 3.554 3.507 3.598 . 0 0 "[ . 1 . 2 ]" 1
95 1 47 GLU H 1 48 THR H 3.000 . 3.500 2.586 2.371 2.851 . 0 0 "[ . 1 . 2 ]" 1
96 1 48 THR HA 1 49 PHE H 3.000 . 3.500 3.503 3.430 3.568 0.068 17 0 "[ . 1 . 2 ]" 1
97 1 48 THR H 1 49 PHE H 3.000 . 3.500 2.641 2.496 2.786 . 0 0 "[ . 1 . 2 ]" 1
98 1 48 THR HB 1 49 PHE QD 4.000 . 7.000 3.733 2.605 5.220 . 0 0 "[ . 1 . 2 ]" 1
99 1 48 THR MG 1 49 PHE QD 4.000 . 8.500 3.576 2.254 4.665 . 0 0 "[ . 1 . 2 ]" 1
100 1 49 PHE QB 1 50 CYS H 3.000 . 4.500 2.675 2.300 2.877 . 0 0 "[ . 1 . 2 ]" 1
101 1 49 PHE HA 1 50 CYS H 4.000 . 5.000 3.550 3.497 3.594 . 0 0 "[ . 1 . 2 ]" 1
102 1 49 PHE H 1 50 CYS H 3.000 . 3.500 2.526 2.406 2.752 . 0 0 "[ . 1 . 2 ]" 1
103 1 50 CYS QB 1 51 ARG H 3.000 . 4.500 2.819 2.115 3.531 . 0 0 "[ . 1 . 2 ]" 1
104 1 50 CYS H 1 51 ARG H 2.500 . 2.900 2.649 2.481 2.853 . 0 0 "[ . 1 . 2 ]" 1
105 1 51 ARG QB 1 52 ALA H 3.000 . 4.500 2.385 2.144 2.553 . 0 0 "[ . 1 . 2 ]" 1
106 1 51 ARG H 1 52 ALA H 2.500 . 2.900 2.776 2.462 2.918 0.018 8 0 "[ . 1 . 2 ]" 1
107 1 52 ALA MB 1 53 ALA H 3.000 . 5.000 2.960 2.776 3.188 . 0 0 "[ . 1 . 2 ]" 1
108 1 52 ALA HA 1 53 ALA H 3.000 . 3.500 3.477 3.413 3.511 0.011 11 0 "[ . 1 . 2 ]" 1
109 1 52 ALA H 1 53 ALA H 2.500 . 2.900 2.656 2.552 2.774 . 0 0 "[ . 1 . 2 ]" 1
110 1 53 ALA HA 1 54 THR H 4.000 . 5.000 3.538 3.512 3.580 . 0 0 "[ . 1 . 2 ]" 1
111 1 53 ALA H 1 54 THR H 3.000 . 3.500 2.512 2.346 2.655 . 0 0 "[ . 1 . 2 ]" 1
112 1 54 THR H 1 55 VAL H 2.500 . 2.900 2.621 2.540 2.760 . 0 0 "[ . 1 . 2 ]" 1
113 1 54 THR MG 1 55 VAL HA 3.000 . 4.800 3.129 2.838 3.808 . 0 0 "[ . 1 . 2 ]" 1
114 1 55 VAL HB 1 56 LEU H 3.000 . 3.500 2.820 2.550 3.059 . 0 0 "[ . 1 . 2 ]" 1
115 1 55 VAL HA 1 56 LEU H 4.000 . 5.000 3.514 3.476 3.546 . 0 0 "[ . 1 . 2 ]" 1
116 1 55 VAL H 1 56 LEU H 3.000 . 3.500 2.619 2.547 2.705 . 0 0 "[ . 1 . 2 ]" 1
117 1 57 ARG H 1 58 GLN H 3.000 . 3.500 2.665 2.426 2.900 . 0 0 "[ . 1 . 2 ]" 1
118 1 58 GLN QB 1 59 PHE H 2.500 . 3.700 2.865 2.690 3.017 . 0 0 "[ . 1 . 2 ]" 1
119 1 58 GLN HA 1 59 PHE H 3.000 . 3.500 3.505 3.466 3.523 0.023 10 0 "[ . 1 . 2 ]" 1
120 1 58 GLN H 1 59 PHE H 3.000 . 3.500 2.553 2.459 2.683 . 0 0 "[ . 1 . 2 ]" 1
121 1 59 PHE QB 1 60 TYR H 3.000 . 4.500 2.475 1.966 3.415 . 0 0 "[ . 1 . 2 ]" 1
122 1 59 PHE H 1 60 TYR H 3.000 . 3.500 2.769 2.353 3.067 . 0 0 "[ . 1 . 2 ]" 1
123 1 59 PHE QD 1 60 TYR QB 4.000 . 8.000 3.669 2.863 4.483 . 0 0 "[ . 1 . 2 ]" 1
124 1 60 TYR QB 1 61 SER H 3.000 . 4.500 3.597 2.557 3.931 . 0 0 "[ . 1 . 2 ]" 1
125 1 60 TYR HA 1 61 SER H 4.000 . 5.000 3.399 3.230 3.589 . 0 0 "[ . 1 . 2 ]" 1
126 1 60 TYR H 1 61 SER H 3.000 . 3.500 2.505 2.334 2.713 . 0 0 "[ . 1 . 2 ]" 1
127 1 60 TYR QD 1 61 SER HA 3.000 . 5.300 3.867 3.032 4.101 . 0 0 "[ . 1 . 2 ]" 1
128 1 61 SER QB 1 62 HIS H 3.000 . 4.500 2.480 2.082 3.226 . 0 0 "[ . 1 . 2 ]" 1
129 1 61 SER H 1 62 HIS H 2.500 . 2.900 2.569 2.309 2.803 . 0 0 "[ . 1 . 2 ]" 1
130 1 62 HIS QB 1 63 HIS H 3.000 . 4.500 2.549 2.041 2.869 . 0 0 "[ . 1 . 2 ]" 1
131 1 62 HIS H 1 63 HIS H 2.500 . 2.900 2.482 2.308 2.851 . 0 0 "[ . 1 . 2 ]" 1
132 1 63 HIS QB 1 64 GLU H 3.000 . 4.500 3.396 2.236 4.025 . 0 0 "[ . 1 . 2 ]" 1
133 1 63 HIS HA 1 64 GLU H 4.000 . 5.000 3.232 2.584 3.576 . 0 0 "[ . 1 . 2 ]" 1
134 1 63 HIS H 1 64 GLU H 3.000 . 3.500 2.894 2.633 3.570 0.070 18 0 "[ . 1 . 2 ]" 1
135 1 67 THR HA 1 68 ARG H 3.000 . 3.500 3.434 3.174 3.509 0.009 13 0 "[ . 1 . 2 ]" 1
136 1 68 ARG QB 1 69 CYS H 4.000 . 6.000 2.438 2.098 2.769 . 0 0 "[ . 1 . 2 ]" 1
137 1 68 ARG HA 1 69 CYS H 4.000 . 5.000 3.578 3.511 3.599 . 0 0 "[ . 1 . 2 ]" 1
138 1 68 ARG H 1 69 CYS H 3.000 . 3.500 2.825 2.379 3.130 . 0 0 "[ . 1 . 2 ]" 1
139 1 69 CYS QB 1 70 LEU H 3.000 . 4.500 3.037 2.700 3.897 . 0 0 "[ . 1 . 2 ]" 1
140 1 69 CYS HA 1 70 LEU H 3.000 . 3.500 3.444 2.892 3.536 0.036 11 0 "[ . 1 . 2 ]" 1
141 1 69 CYS H 1 70 LEU H 3.000 . 3.500 2.504 2.267 3.113 . 0 0 "[ . 1 . 2 ]" 1
142 1 70 LEU QB 1 71 GLY H 4.000 . 6.000 2.086 1.914 2.641 . 0 0 "[ . 1 . 2 ]" 1
143 1 70 LEU H 1 71 GLY H 3.000 . 3.500 3.107 2.778 3.526 0.026 18 0 "[ . 1 . 2 ]" 1
144 1 71 GLY QA 1 72 ALA H 2.500 . 3.700 2.258 2.153 2.936 . 0 0 "[ . 1 . 2 ]" 1
145 1 71 GLY H 1 72 ALA H 4.000 . 5.000 4.294 2.623 4.603 . 0 0 "[ . 1 . 2 ]" 1
146 1 72 ALA MB 1 73 THR H 3.000 . 5.000 3.437 2.492 3.729 . 0 0 "[ . 1 . 2 ]" 1
147 1 72 ALA H 1 73 THR H 2.500 . 2.900 2.431 1.974 3.119 0.219 18 0 "[ . 1 . 2 ]" 1
148 1 75 GLN QB 1 76 GLN H 2.500 . 3.700 2.687 2.236 3.399 . 0 0 "[ . 1 . 2 ]" 1
149 1 76 GLN QB 1 77 PHE H 3.000 . 4.500 2.925 2.725 3.634 . 0 0 "[ . 1 . 2 ]" 1
150 1 76 GLN HA 1 77 PHE H 3.000 . 3.500 3.506 3.482 3.541 0.041 14 0 "[ . 1 . 2 ]" 1
151 1 76 GLN H 1 77 PHE H 2.500 . 2.900 2.662 2.533 2.780 . 0 0 "[ . 1 . 2 ]" 1
152 1 77 PHE QB 1 78 HIS H 3.000 . 4.500 2.526 2.171 2.998 . 0 0 "[ . 1 . 2 ]" 1
153 1 77 PHE HA 1 78 HIS H 4.000 . 5.000 3.567 3.499 3.591 . 0 0 "[ . 1 . 2 ]" 1
154 1 78 HIS QB 1 79 ARG H 3.000 . 4.500 2.559 2.100 2.861 . 0 0 "[ . 1 . 2 ]" 1
155 1 78 HIS HA 1 79 ARG H 3.000 . 3.500 3.550 3.509 3.580 0.080 17 0 "[ . 1 . 2 ]" 1
156 1 78 HIS H 1 79 ARG H 3.000 . 3.500 2.687 2.469 2.883 . 0 0 "[ . 1 . 2 ]" 1
157 1 79 ARG QB 1 80 HIS H 3.000 . 4.500 2.924 2.239 3.705 . 0 0 "[ . 1 . 2 ]" 1
158 1 79 ARG HA 1 80 HIS H 4.000 . 5.000 3.501 3.432 3.579 . 0 0 "[ . 1 . 2 ]" 1
159 1 79 ARG H 1 80 HIS H 4.000 . 5.000 2.647 2.412 2.918 . 0 0 "[ . 1 . 2 ]" 1
160 1 80 HIS QB 1 81 LYS H 3.000 . 4.500 2.665 2.243 3.022 . 0 0 "[ . 1 . 2 ]" 1
161 1 80 HIS H 1 81 LYS H 2.500 . 2.900 2.513 2.263 2.816 . 0 0 "[ . 1 . 2 ]" 1
162 1 81 LYS QB 1 82 GLN H 2.500 . 3.700 2.826 2.582 3.341 . 0 0 "[ . 1 . 2 ]" 1
163 1 81 LYS HA 1 82 GLN H 3.000 . 3.500 3.519 3.491 3.557 0.057 18 0 "[ . 1 . 2 ]" 1
164 1 81 LYS H 1 82 GLN H 2.500 . 2.900 2.715 2.599 2.806 . 0 0 "[ . 1 . 2 ]" 1
165 1 82 GLN QB 1 83 LEU H 3.000 . 4.500 2.777 2.434 3.579 . 0 0 "[ . 1 . 2 ]" 1
166 1 82 GLN HA 1 83 LEU H 4.000 . 5.000 3.530 3.472 3.576 . 0 0 "[ . 1 . 2 ]" 1
167 1 83 LEU QB 1 84 ILE H 3.000 . 4.500 2.584 2.081 3.232 . 0 0 "[ . 1 . 2 ]" 1
168 1 83 LEU H 1 84 ILE H 2.500 . 2.900 2.698 2.490 2.909 0.009 22 0 "[ . 1 . 2 ]" 1
169 1 84 ILE HB 1 85 ARG H 2.500 . 2.700 2.641 2.405 2.821 0.121 12 0 "[ . 1 . 2 ]" 1
170 1 84 ILE HA 1 85 ARG H 4.000 . 5.000 3.552 3.514 3.590 . 0 0 "[ . 1 . 2 ]" 1
171 1 84 ILE H 1 85 ARG H 2.500 . 2.900 2.701 2.488 2.840 . 0 0 "[ . 1 . 2 ]" 1
172 1 85 ARG QB 1 86 PHE H 2.500 . 3.700 2.566 2.297 3.123 . 0 0 "[ . 1 . 2 ]" 1
173 1 85 ARG HA 1 86 PHE H 3.000 . 3.500 3.556 3.523 3.577 0.077 5 0 "[ . 1 . 2 ]" 1
174 1 85 ARG H 1 86 PHE H 3.000 . 3.300 2.722 2.459 2.904 . 0 0 "[ . 1 . 2 ]" 1
175 1 86 PHE QB 1 87 LEU H 4.000 . 6.000 2.724 2.329 2.964 . 0 0 "[ . 1 . 2 ]" 1
176 1 86 PHE HA 1 87 LEU H 4.000 . 5.000 3.542 3.500 3.594 . 0 0 "[ . 1 . 2 ]" 1
177 1 86 PHE H 1 87 LEU H 2.500 . 2.900 2.746 2.509 2.970 0.070 13 0 "[ . 1 . 2 ]" 1
178 1 87 LEU QB 1 88 LYS H 3.000 . 4.500 2.700 2.424 3.696 . 0 0 "[ . 1 . 2 ]" 1
179 1 87 LEU HA 1 88 LYS H 4.000 . 5.000 3.552 3.455 3.601 . 0 0 "[ . 1 . 2 ]" 1
180 1 87 LEU H 1 88 LYS H 2.500 . 2.900 2.683 2.536 2.949 0.049 21 0 "[ . 1 . 2 ]" 1
181 1 87 LEU QD 1 88 LYS HG3 3.000 . 6.700 4.354 1.986 5.006 . 0 0 "[ . 1 . 2 ]" 1
182 1 87 LEU QD 1 88 LYS HG2 3.000 . 6.700 4.498 3.264 5.042 . 0 0 "[ . 1 . 2 ]" 1
183 1 88 LYS QB 1 89 ARG H 3.000 . 4.500 2.678 2.448 3.600 . 0 0 "[ . 1 . 2 ]" 1
184 1 88 LYS HA 1 89 ARG H 4.000 . 5.000 3.550 3.506 3.579 . 0 0 "[ . 1 . 2 ]" 1
185 1 88 LYS H 1 89 ARG H 2.500 . 2.900 2.729 2.580 2.853 . 0 0 "[ . 1 . 2 ]" 1
186 1 89 ARG QB 1 90 LEU H 2.500 . 3.700 2.507 2.008 3.278 . 0 0 "[ . 1 . 2 ]" 1
187 1 89 ARG HA 1 90 LEU H 3.000 . 3.500 3.555 3.507 3.575 0.075 5 0 "[ . 1 . 2 ]" 1
188 1 89 ARG H 1 90 LEU H 2.500 . 2.900 2.700 2.475 2.915 0.015 11 0 "[ . 1 . 2 ]" 1
189 1 90 LEU QB 1 91 ASP H 2.500 . 3.700 3.147 3.005 3.296 . 0 0 "[ . 1 . 2 ]" 1
190 1 90 LEU HA 1 91 ASP H 3.000 . 3.500 3.444 3.389 3.486 . 0 0 "[ . 1 . 2 ]" 1
191 1 90 LEU H 1 91 ASP H 3.000 . 3.500 2.653 2.520 2.788 . 0 0 "[ . 1 . 2 ]" 1
192 1 91 ASP QB 1 92 ARG H 2.500 . 3.700 2.479 1.966 2.829 . 0 0 "[ . 1 . 2 ]" 1
193 1 91 ASP H 1 92 ARG H 2.500 . 2.900 2.762 2.454 3.069 0.169 22 0 "[ . 1 . 2 ]" 1
194 1 92 ARG QB 1 93 ASN H 2.500 . 3.700 3.006 2.840 3.308 . 0 0 "[ . 1 . 2 ]" 1
195 1 92 ARG HA 1 93 ASN H 3.000 . 3.500 3.488 3.378 3.525 0.025 16 0 "[ . 1 . 2 ]" 1
196 1 92 ARG H 1 93 ASN H 3.000 . 3.500 2.406 2.288 2.727 . 0 0 "[ . 1 . 2 ]" 1
197 1 93 ASN QB 1 94 LEU H 4.000 . 6.000 2.759 2.219 3.364 . 0 0 "[ . 1 . 2 ]" 1
198 1 93 ASN HA 1 94 LEU H 4.000 . 5.000 3.526 3.373 3.591 . 0 0 "[ . 1 . 2 ]" 1
199 1 93 ASN H 1 94 LEU H 2.500 . 2.900 2.542 2.429 2.750 . 0 0 "[ . 1 . 2 ]" 1
200 1 94 LEU HA 1 95 TRP H 4.000 . 5.000 3.583 3.535 3.599 . 0 0 "[ . 1 . 2 ]" 1
201 1 94 LEU H 1 95 TRP H 3.000 . 3.500 2.834 2.529 3.138 . 0 0 "[ . 1 . 2 ]" 1
202 1 95 TRP QB 1 96 GLY H 2.500 . 3.700 3.368 2.533 3.670 . 0 0 "[ . 1 . 2 ]" 1
203 1 95 TRP HA 1 96 GLY H 4.000 . 5.000 3.465 3.410 3.553 . 0 0 "[ . 1 . 2 ]" 1
204 1 95 TRP H 1 96 GLY H 2.500 . 2.900 2.434 2.323 2.863 . 0 0 "[ . 1 . 2 ]" 1
205 1 96 GLY QA 1 97 LEU H 3.000 . 4.500 2.759 2.601 2.834 . 0 0 "[ . 1 . 2 ]" 1
206 1 96 GLY H 1 97 LEU H 2.500 . 2.900 2.814 2.697 3.027 0.127 6 0 "[ . 1 . 2 ]" 1
207 1 97 LEU H 1 98 ALA H 2.500 . 2.900 2.413 2.223 2.771 . 0 0 "[ . 1 . 2 ]" 1
208 1 98 ALA MB 1 99 GLY H 2.500 . 4.200 2.195 1.898 2.574 . 0 0 "[ . 1 . 2 ]" 1
209 1 98 ALA HA 1 99 GLY H 3.000 . 3.500 3.568 3.551 3.577 0.077 14 0 "[ . 1 . 2 ]" 1
210 1 98 ALA H 1 99 GLY H 2.500 . 2.900 2.951 2.416 3.068 0.168 14 0 "[ . 1 . 2 ]" 1
211 1 99 GLY QA 1 100 LEU H 2.500 . 3.700 2.591 2.171 2.904 . 0 0 "[ . 1 . 2 ]" 1
212 1 99 GLY H 1 100 LEU H 2.500 . 2.900 2.675 2.010 3.337 0.437 13 0 "[ . 1 . 2 ]" 1
213 1 101 ASN QB 1 102 SER H 4.000 . 6.000 2.180 1.882 3.451 . 0 0 "[ . 1 . 2 ]" 1
214 1 102 SER QB 1 103 CYS HA 4.000 . 6.000 4.152 3.787 4.645 . 0 0 "[ . 1 . 2 ]" 1
215 1 103 CYS HA 1 104 PRO QD 2.500 . 3.700 1.972 1.921 2.128 . 0 0 "[ . 1 . 2 ]" 1
216 1 103 CYS HA 1 104 PRO QG 4.000 . 6.000 3.938 3.860 4.083 . 0 0 "[ . 1 . 2 ]" 1
217 1 104 PRO QB 1 105 VAL H 3.000 . 4.500 3.806 3.692 3.888 . 0 0 "[ . 1 . 2 ]" 1
218 1 104 PRO HA 1 105 VAL H 3.000 . 3.500 2.329 2.226 2.441 . 0 0 "[ . 1 . 2 ]" 1
219 1 105 VAL HA 1 106 LYS H 2.500 . 2.700 2.340 2.182 2.747 0.047 21 0 "[ . 1 . 2 ]" 1
220 1 106 LYS QB 1 107 GLU H 3.000 . 4.500 3.246 2.004 4.057 . 0 0 "[ . 1 . 2 ]" 1
221 1 107 GLU QB 1 108 ALA H 3.000 . 4.500 3.719 2.122 4.038 . 0 0 "[ . 1 . 2 ]" 1
222 1 108 ALA MB 1 109 ASP H 2.500 . 4.200 2.716 1.913 3.115 . 0 0 "[ . 1 . 2 ]" 1
223 1 108 ALA HA 1 109 ASP H 2.500 . 2.700 2.355 2.189 2.912 0.212 6 0 "[ . 1 . 2 ]" 1
224 1 109 ASP QB 1 110 GLN H 4.000 . 6.000 2.314 1.936 3.204 . 0 0 "[ . 1 . 2 ]" 1
225 1 109 ASP H 1 110 GLN H 4.000 . 5.000 4.026 2.633 4.664 . 0 0 "[ . 1 . 2 ]" 1
226 1 110 GLN QB 1 111 SER H 3.000 . 4.500 3.859 3.494 3.960 . 0 0 "[ . 1 . 2 ]" 1
227 1 110 GLN H 1 111 SER H 4.000 . 5.000 3.938 3.099 4.462 . 0 0 "[ . 1 . 2 ]" 1
228 1 111 SER HA 1 112 THR H 2.500 . 2.700 2.477 2.174 2.836 0.136 22 0 "[ . 1 . 2 ]" 1
229 1 111 SER H 1 112 THR H 4.000 . 5.000 4.466 4.279 4.619 . 0 0 "[ . 1 . 2 ]" 1
230 1 111 SER HA 1 112 THR MG 4.000 . 6.500 3.608 3.250 4.253 . 0 0 "[ . 1 . 2 ]" 1
231 1 112 THR HA 1 113 LEU H 2.500 . 2.700 2.239 2.167 2.334 . 0 0 "[ . 1 . 2 ]" 1
232 1 113 LEU QB 1 114 GLU H 4.000 . 6.000 3.070 2.769 3.312 . 0 0 "[ . 1 . 2 ]" 1
233 1 113 LEU H 1 114 GLU H 3.000 . 3.500 2.764 2.617 2.867 . 0 0 "[ . 1 . 2 ]" 1
234 1 114 GLU QB 1 115 ASN H 3.000 . 4.500 2.355 1.978 2.989 . 0 0 "[ . 1 . 2 ]" 1
235 1 114 GLU HA 1 115 ASN H 3.000 . 3.500 3.571 3.550 3.580 0.080 11 0 "[ . 1 . 2 ]" 1
236 1 114 GLU H 1 115 ASN H 3.000 . 3.500 2.815 2.605 3.085 . 0 0 "[ . 1 . 2 ]" 1
237 1 115 ASN QB 1 116 PHE H 3.000 . 4.500 3.062 2.434 3.717 . 0 0 "[ . 1 . 2 ]" 1
238 1 115 ASN H 1 116 PHE H 2.500 . 2.900 2.623 2.411 2.862 . 0 0 "[ . 1 . 2 ]" 1
239 1 116 PHE QB 1 117 LEU H 3.000 . 4.500 2.399 1.980 2.925 . 0 0 "[ . 1 . 2 ]" 1
240 1 116 PHE HA 1 117 LEU H 4.000 . 5.000 3.572 3.516 3.599 . 0 0 "[ . 1 . 2 ]" 1
241 1 116 PHE H 1 117 LEU H 3.000 . 3.500 2.747 2.369 3.089 . 0 0 "[ . 1 . 2 ]" 1
242 1 117 LEU H 1 118 GLU H 3.000 . 3.500 2.640 2.450 2.793 . 0 0 "[ . 1 . 2 ]" 1
243 1 118 GLU HA 1 119 ARG H 3.000 . 3.500 3.562 3.506 3.581 0.081 7 0 "[ . 1 . 2 ]" 1
244 1 119 ARG QB 1 120 LEU H 2.500 . 3.700 3.051 2.807 3.220 . 0 0 "[ . 1 . 2 ]" 1
245 1 119 ARG HA 1 120 LEU H 3.000 . 3.500 3.473 3.420 3.528 0.028 22 0 "[ . 1 . 2 ]" 1
246 1 119 ARG H 1 120 LEU H 2.500 . 2.900 2.641 2.488 2.743 . 0 0 "[ . 1 . 2 ]" 1
247 1 120 LEU QB 1 121 LYS H 3.000 . 4.500 2.581 2.270 2.877 . 0 0 "[ . 1 . 2 ]" 1
248 1 120 LEU HA 1 121 LYS H 4.000 . 5.000 3.559 3.504 3.593 . 0 0 "[ . 1 . 2 ]" 1
249 1 120 LEU H 1 121 LYS H 2.500 . 2.900 2.581 2.403 2.852 . 0 0 "[ . 1 . 2 ]" 1
250 1 121 LYS QB 1 122 THR H 2.500 . 3.700 2.414 2.052 2.901 . 0 0 "[ . 1 . 2 ]" 1
251 1 121 LYS HA 1 122 THR H 3.000 . 3.500 3.520 3.484 3.558 0.058 7 0 "[ . 1 . 2 ]" 1
252 1 121 LYS H 1 122 THR H 2.500 . 2.900 2.645 2.384 2.895 . 0 0 "[ . 1 . 2 ]" 1
253 1 121 LYS QB 1 122 THR MG 3.000 . 5.800 3.993 3.850 4.177 . 0 0 "[ . 1 . 2 ]" 1
254 1 121 LYS QE 1 122 THR MG 3.000 . 5.800 3.851 3.080 4.200 . 0 0 "[ . 1 . 2 ]" 1
255 1 122 THR HB 1 123 ILE H 2.500 . 2.700 2.794 2.439 2.958 0.258 21 0 "[ . 1 . 2 ]" 1
256 1 122 THR HA 1 123 ILE H 3.000 . 3.500 3.547 3.522 3.575 0.075 12 0 "[ . 1 . 2 ]" 1
257 1 122 THR H 1 123 ILE H 2.500 . 2.900 2.812 2.489 2.983 0.083 8 0 "[ . 1 . 2 ]" 1
258 1 123 ILE HB 1 124 MET H 2.500 . 2.700 2.705 2.293 2.916 0.216 10 0 "[ . 1 . 2 ]" 1
259 1 123 ILE HA 1 124 MET H 3.000 . 3.500 3.543 3.493 3.575 0.075 6 0 "[ . 1 . 2 ]" 1
260 1 123 ILE H 1 124 MET H 2.500 . 2.900 2.730 2.588 2.931 0.031 21 0 "[ . 1 . 2 ]" 1
261 1 123 ILE MG 1 124 MET HA 3.000 . 4.800 3.337 2.979 3.646 . 0 0 "[ . 1 . 2 ]" 1
262 1 123 ILE MG 1 124 MET QG 4.000 . 7.500 3.556 2.522 5.063 . 0 0 "[ . 1 . 2 ]" 1
263 1 124 MET QB 1 125 ARG H 3.000 . 4.500 2.478 1.966 2.928 . 0 0 "[ . 1 . 2 ]" 1
264 1 124 MET HA 1 125 ARG H 3.000 . 3.500 3.557 3.494 3.582 0.082 10 0 "[ . 1 . 2 ]" 1
265 1 124 MET H 1 125 ARG H 3.000 . 3.500 2.780 2.472 3.120 . 0 0 "[ . 1 . 2 ]" 1
266 1 125 ARG QB 1 126 GLU H 2.500 . 3.700 2.766 1.962 3.371 . 0 0 "[ . 1 . 2 ]" 1
267 1 125 ARG HA 1 126 GLU H 3.000 . 3.500 3.503 3.347 3.575 0.075 8 0 "[ . 1 . 2 ]" 1
268 1 125 ARG H 1 126 GLU H 2.500 . 2.900 2.708 2.385 2.929 0.029 13 0 "[ . 1 . 2 ]" 1
269 1 126 GLU QB 1 127 LYS H 2.500 . 3.700 2.579 2.048 2.956 . 0 0 "[ . 1 . 2 ]" 1
270 1 126 GLU H 1 127 LYS H 3.000 . 3.500 2.641 2.335 3.058 . 0 0 "[ . 1 . 2 ]" 1
271 1 127 LYS HA 1 128 TYR H 4.000 . 5.000 3.517 3.285 3.624 . 0 0 "[ . 1 . 2 ]" 1
272 1 127 LYS H 1 128 TYR H 2.500 . 2.900 2.504 2.384 2.870 . 0 0 "[ . 1 . 2 ]" 1
273 1 128 TYR QB 1 129 SER H 3.000 . 4.500 3.619 2.860 3.896 . 0 0 "[ . 1 . 2 ]" 1
274 1 128 TYR HA 1 129 SER H 3.000 . 3.500 3.253 2.992 3.508 0.008 7 0 "[ . 1 . 2 ]" 1
275 1 128 TYR H 1 129 SER H 2.500 . 2.900 2.723 2.307 2.956 0.056 21 0 "[ . 1 . 2 ]" 1
276 1 129 SER H 1 130 LYS H 3.000 . 3.500 2.602 2.246 3.176 . 0 0 "[ . 1 . 2 ]" 1
277 1 130 LYS QB 1 131 CYS H 3.000 . 4.500 3.575 1.852 4.060 . 0 0 "[ . 1 . 2 ]" 1
278 1 130 LYS HA 1 131 CYS H 3.000 . 3.500 3.055 2.674 3.589 0.089 12 0 "[ . 1 . 2 ]" 1
279 1 130 LYS H 1 131 CYS H 2.500 . 2.900 2.604 1.979 2.927 0.027 13 0 "[ . 1 . 2 ]" 1
280 1 131 CYS H 1 132 SER H 2.500 . 2.900 2.567 1.987 2.930 0.030 5 0 "[ . 1 . 2 ]" 1
281 1 132 SER QB 1 133 SER H 4.000 . 6.000 3.050 2.079 3.917 . 0 0 "[ . 1 . 2 ]" 1
282 1 132 SER HA 1 133 SER H 2.500 . 2.700 2.373 2.185 2.699 . 0 0 "[ . 1 . 2 ]" 1
283 1 5 HIS H 1 7 CYS H 4.000 . 5.000 4.701 2.966 5.211 0.211 13 0 "[ . 1 . 2 ]" 1
284 1 7 CYS HA 1 10 THR HB 4.000 . 5.000 4.224 2.967 5.205 0.205 21 0 "[ . 1 . 2 ]" 1
285 1 8 ASP HA 1 11 LEU QB 4.000 . 6.000 4.209 2.377 5.397 . 0 0 "[ . 1 . 2 ]" 1
286 1 9 ILE HA 1 12 GLN QB 4.000 . 6.000 3.208 2.094 4.595 . 0 0 "[ . 1 . 2 ]" 1
287 1 9 ILE HA 1 12 GLN H 4.000 . 5.000 3.787 3.128 4.477 . 0 0 "[ . 1 . 2 ]" 1
288 1 9 ILE H 1 11 LEU H 4.000 . 5.000 4.167 3.532 5.054 0.054 22 0 "[ . 1 . 2 ]" 1
289 1 9 ILE HA 1 12 GLN QG 3.000 . 4.300 3.408 2.030 3.934 . 0 0 "[ . 1 . 2 ]" 1
290 1 10 THR HA 1 13 GLU QB 4.000 . 6.000 3.278 2.538 4.490 . 0 0 "[ . 1 . 2 ]" 1
291 1 10 THR HA 1 13 GLU H 4.000 . 5.000 3.867 3.541 4.211 . 0 0 "[ . 1 . 2 ]" 1
292 1 10 THR MG 1 14 ILE HB 3.000 . 4.800 3.764 3.558 3.913 . 0 0 "[ . 1 . 2 ]" 1
293 1 10 THR MG 1 14 ILE QG 3.000 . 5.800 3.633 2.908 4.147 . 0 0 "[ . 1 . 2 ]" 1
294 1 10 THR MG 1 14 ILE MD 3.000 . 6.300 2.214 1.885 2.960 . 0 0 "[ . 1 . 2 ]" 1
295 1 10 THR MG 1 13 GLU QB 4.000 . 7.500 4.191 3.588 5.060 . 0 0 "[ . 1 . 2 ]" 1
296 1 11 LEU HA 1 14 ILE HB 3.000 . 3.300 2.280 1.980 2.632 . 0 0 "[ . 1 . 2 ]" 1
297 1 11 LEU HA 1 14 ILE H 4.000 . 5.000 3.356 3.165 3.583 . 0 0 "[ . 1 . 2 ]" 1
298 1 11 LEU QD 1 15 ILE MD 3.000 . 7.200 3.441 2.648 4.261 . 0 0 "[ . 1 . 2 ]" 1
299 1 11 LEU HG 1 15 ILE MD 4.000 . 6.500 3.886 2.532 5.288 . 0 0 "[ . 1 . 2 ]" 1
300 1 11 LEU QB 1 15 ILE MD 4.000 . 7.500 3.350 2.568 4.587 . 0 0 "[ . 1 . 2 ]" 1
301 1 11 LEU HA 1 14 ILE MD 3.000 . 4.800 2.685 2.000 3.764 . 0 0 "[ . 1 . 2 ]" 1
302 1 12 GLN HA 1 15 ILE HB 3.000 . 3.300 2.759 2.610 3.082 . 0 0 "[ . 1 . 2 ]" 1
303 1 12 GLN HA 1 15 ILE H 4.000 . 5.000 3.402 3.176 3.645 . 0 0 "[ . 1 . 2 ]" 1
304 1 12 GLN HA 1 14 ILE H 4.000 . 5.000 4.228 4.061 4.552 . 0 0 "[ . 1 . 2 ]" 1
305 1 12 GLN H 1 14 ILE H 4.000 . 5.000 3.888 3.584 4.224 . 0 0 "[ . 1 . 2 ]" 1
306 1 12 GLN HA 1 15 ILE MG 3.000 . 4.800 4.000 3.815 4.080 . 0 0 "[ . 1 . 2 ]" 1
307 1 12 GLN HA 1 15 ILE MD 3.000 . 4.800 2.566 1.884 3.889 . 0 0 "[ . 1 . 2 ]" 1
308 1 13 GLU HA 1 16 LYS QB 3.000 . 4.300 2.892 2.451 3.311 . 0 0 "[ . 1 . 2 ]" 1
309 1 13 GLU HA 1 15 ILE H 4.000 . 5.000 4.061 3.746 4.300 . 0 0 "[ . 1 . 2 ]" 1
310 1 13 GLU HA 1 16 LYS QE 3.000 . 4.300 3.174 2.390 3.772 . 0 0 "[ . 1 . 2 ]" 1
311 1 14 ILE HA 1 17 THR HB 3.000 . 3.300 3.103 2.760 3.455 0.155 21 0 "[ . 1 . 2 ]" 1
312 1 14 ILE HA 1 17 THR H 4.000 . 5.000 3.625 3.312 3.944 . 0 0 "[ . 1 . 2 ]" 1
313 1 14 ILE HA 1 16 LYS H 4.000 . 5.000 4.613 4.339 4.774 . 0 0 "[ . 1 . 2 ]" 1
314 1 14 ILE HA 1 17 THR MG 4.000 . 6.500 4.271 3.980 4.556 . 0 0 "[ . 1 . 2 ]" 1
315 1 15 ILE HA 1 18 LEU QB 3.000 . 4.300 2.589 2.111 3.028 . 0 0 "[ . 1 . 2 ]" 1
316 1 15 ILE HA 1 18 LEU H 4.000 . 5.000 3.401 3.144 3.765 . 0 0 "[ . 1 . 2 ]" 1
317 1 15 ILE HA 1 17 THR H 4.000 . 5.000 4.468 4.082 4.985 . 0 0 "[ . 1 . 2 ]" 1
318 1 15 ILE H 1 17 THR H 4.000 . 5.000 4.090 3.788 4.410 . 0 0 "[ . 1 . 2 ]" 1
319 1 16 LYS HA 1 19 ASN QB 3.000 . 4.300 3.100 2.749 3.591 . 0 0 "[ . 1 . 2 ]" 1
320 1 16 LYS HA 1 19 ASN H 4.000 . 5.000 3.577 3.371 3.804 . 0 0 "[ . 1 . 2 ]" 1
321 1 17 THR HA 1 20 SER QB 3.000 . 4.300 2.572 2.010 3.732 . 0 0 "[ . 1 . 2 ]" 1
322 1 17 THR HA 1 19 ASN H 4.000 . 5.000 4.350 3.927 4.887 . 0 0 "[ . 1 . 2 ]" 1
323 1 17 THR H 1 19 ASN H 4.000 . 5.000 4.303 3.736 4.900 . 0 0 "[ . 1 . 2 ]" 1
324 1 18 LEU HA 1 21 LEU QB 3.000 . 4.300 3.366 2.926 3.816 . 0 0 "[ . 1 . 2 ]" 1
325 1 18 LEU HA 1 21 LEU H 4.000 . 5.000 3.681 3.479 4.019 . 0 0 "[ . 1 . 2 ]" 1
326 1 18 LEU H 1 20 SER H 4.000 . 5.000 4.027 3.834 4.326 . 0 0 "[ . 1 . 2 ]" 1
327 1 19 ASN HA 1 22 THR HB 4.000 . 5.000 3.603 2.691 4.976 . 0 0 "[ . 1 . 2 ]" 1
328 1 19 ASN H 1 21 LEU H 4.000 . 5.000 4.282 4.048 4.576 . 0 0 "[ . 1 . 2 ]" 1
329 1 19 ASN HA 1 22 THR MG 4.000 . 6.500 3.653 1.966 4.628 . 0 0 "[ . 1 . 2 ]" 1
330 1 20 SER HA 1 23 GLU QB 3.000 . 4.300 3.546 3.146 3.902 . 0 0 "[ . 1 . 2 ]" 1
331 1 21 LEU HA 1 24 GLN QB 4.000 . 6.000 5.067 4.275 5.376 . 0 0 "[ . 1 . 2 ]" 1
332 1 21 LEU HA 1 24 GLN H 4.000 . 5.000 4.251 3.710 4.649 . 0 0 "[ . 1 . 2 ]" 1
333 1 21 LEU HA 1 23 GLU H 4.000 . 5.000 3.622 3.410 3.922 . 0 0 "[ . 1 . 2 ]" 1
334 1 21 LEU H 1 23 GLU H 4.000 . 5.000 4.323 4.066 4.604 . 0 0 "[ . 1 . 2 ]" 1
335 1 22 THR HA 1 24 GLN H 4.000 . 5.000 3.947 3.514 5.019 0.019 22 0 "[ . 1 . 2 ]" 1
336 1 23 GLU HA 1 25 LYS H 4.000 . 5.000 4.398 3.871 4.893 . 0 0 "[ . 1 . 2 ]" 1
337 1 24 GLN HA 1 27 LEU QB 4.000 . 6.000 5.361 4.691 5.654 . 0 0 "[ . 1 . 2 ]" 1
338 1 25 LYS HA 1 28 CYS QB 4.000 . 6.000 4.326 3.274 5.008 . 0 0 "[ . 1 . 2 ]" 1
339 1 26 THR HA 1 29 THR H 4.000 . 5.000 3.947 3.143 4.480 . 0 0 "[ . 1 . 2 ]" 1
340 1 26 THR HA 1 28 CYS H 4.000 . 5.000 4.940 4.289 5.080 0.080 6 0 "[ . 1 . 2 ]" 1
341 1 27 LEU HA 1 30 GLU QB 3.000 . 4.300 3.564 3.427 3.698 . 0 0 "[ . 1 . 2 ]" 1
342 1 27 LEU H 1 29 THR H 4.000 . 5.000 3.583 3.429 3.849 . 0 0 "[ . 1 . 2 ]" 1
343 1 28 CYS HA 1 31 LEU MD1 4.000 . 6.500 3.772 2.384 5.466 . 0 0 "[ . 1 . 2 ]" 1
344 1 28 CYS HA 1 31 LEU MD2 4.000 . 6.500 4.426 2.782 5.434 . 0 0 "[ . 1 . 2 ]" 1
345 1 28 CYS HA 1 31 LEU HG 4.000 . 5.000 4.638 3.667 5.100 0.100 6 0 "[ . 1 . 2 ]" 1
346 1 28 CYS QB 1 31 LEU QD 4.000 . 8.400 3.944 3.545 4.858 . 0 0 "[ . 1 . 2 ]" 1
347 1 29 THR HA 1 31 LEU H 4.000 . 5.000 3.460 3.194 4.073 . 0 0 "[ . 1 . 2 ]" 1
348 1 30 GLU HA 1 32 THR MG 4.000 . 6.500 5.206 4.461 5.495 . 0 0 "[ . 1 . 2 ]" 1
349 1 34 THR HB 1 36 ILE MG 3.000 . 4.800 4.045 3.897 4.147 . 0 0 "[ . 1 . 2 ]" 1
350 1 34 THR MG 1 36 ILE HB 3.000 . 4.800 4.079 3.941 4.153 . 0 0 "[ . 1 . 2 ]" 1
351 1 34 THR MG 1 36 ILE MD 3.000 . 6.300 4.012 3.580 4.206 . 0 0 "[ . 1 . 2 ]" 1
352 1 36 ILE HA 1 38 ALA H 4.000 . 5.000 3.557 3.361 4.349 . 0 0 "[ . 1 . 2 ]" 1
353 1 36 ILE H 1 38 ALA H 4.000 . 5.000 4.742 4.196 5.049 0.049 14 0 "[ . 1 . 2 ]" 1
354 1 37 PHE H 1 39 ALA H 4.000 . 5.000 4.799 3.641 5.007 0.007 7 0 "[ . 1 . 2 ]" 1
355 1 43 THR HB 1 47 GLU QB 3.000 . 4.300 2.984 1.836 3.860 . 0 0 "[ . 1 . 2 ]" 1
356 1 43 THR MG 1 47 GLU QB 3.000 . 5.800 2.570 1.939 3.443 . 0 0 "[ . 1 . 2 ]" 1
357 1 44 THR HA 1 48 THR H 4.000 . 5.000 5.075 4.522 5.264 0.264 20 0 "[ . 1 . 2 ]" 1
358 1 44 THR HA 1 47 GLU H 4.000 . 5.000 4.887 4.518 5.295 0.295 19 0 "[ . 1 . 2 ]" 1
359 1 45 GLU HA 1 48 THR HB 3.000 . 3.300 2.846 2.255 3.319 0.019 19 0 "[ . 1 . 2 ]" 1
360 1 45 GLU QB 1 49 PHE QE 3.000 . 6.300 2.909 2.281 3.659 . 0 0 "[ . 1 . 2 ]" 1
361 1 45 GLU QB 1 49 PHE HZ 3.000 . 4.300 3.472 2.385 3.769 . 0 0 "[ . 1 . 2 ]" 1
362 1 46 LYS HA 1 49 PHE QB 4.000 . 6.000 2.758 2.231 3.097 . 0 0 "[ . 1 . 2 ]" 1
363 1 46 LYS HA 1 49 PHE H 4.000 . 5.000 3.523 3.293 3.861 . 0 0 "[ . 1 . 2 ]" 1
364 1 46 LYS HA 1 49 PHE QD 3.000 . 5.300 2.938 1.975 4.564 . 0 0 "[ . 1 . 2 ]" 1
365 1 47 GLU HA 1 50 CYS QB 3.000 . 4.300 3.171 2.718 3.698 . 0 0 "[ . 1 . 2 ]" 1
366 1 47 GLU HA 1 50 CYS H 4.000 . 5.000 3.478 3.190 3.753 . 0 0 "[ . 1 . 2 ]" 1
367 1 47 GLU H 1 49 PHE H 4.000 . 5.000 3.885 3.616 4.092 . 0 0 "[ . 1 . 2 ]" 1
368 1 48 THR HA 1 51 ARG QB 3.000 . 4.300 2.845 2.374 3.428 . 0 0 "[ . 1 . 2 ]" 1
369 1 48 THR HA 1 52 ALA H 4.000 . 5.000 3.875 3.524 4.436 . 0 0 "[ . 1 . 2 ]" 1
370 1 48 THR HA 1 51 ARG H 4.000 . 5.000 3.649 3.395 4.005 . 0 0 "[ . 1 . 2 ]" 1
371 1 48 THR H 1 50 CYS H 4.000 . 5.000 4.323 4.088 4.813 . 0 0 "[ . 1 . 2 ]" 1
372 1 48 THR MG 1 52 ALA MB 3.000 . 6.300 3.198 2.693 3.848 . 0 0 "[ . 1 . 2 ]" 1
373 1 48 THR HA 1 51 ARG QD 4.000 . 6.000 3.383 2.806 4.209 . 0 0 "[ . 1 . 2 ]" 1
374 1 49 PHE HA 1 52 ALA MB 3.000 . 4.800 2.909 2.440 3.267 . 0 0 "[ . 1 . 2 ]" 1
375 1 49 PHE HA 1 52 ALA H 4.000 . 5.000 3.776 3.168 4.103 . 0 0 "[ . 1 . 2 ]" 1
376 1 49 PHE HA 1 51 ARG H 4.000 . 5.000 4.527 3.968 4.962 . 0 0 "[ . 1 . 2 ]" 1
377 1 50 CYS HA 1 53 ALA MB 4.000 . 6.500 2.205 1.965 2.587 . 0 0 "[ . 1 . 2 ]" 1
378 1 50 CYS H 1 52 ALA H 4.000 . 5.000 4.357 4.117 4.755 . 0 0 "[ . 1 . 2 ]" 1
379 1 50 CYS HA 1 52 ALA MB 4.000 . 6.500 5.310 5.165 5.477 . 0 0 "[ . 1 . 2 ]" 1
380 1 51 ARG HA 1 54 THR HB 3.000 . 3.300 3.237 2.964 3.440 0.140 15 0 "[ . 1 . 2 ]" 1
381 1 51 ARG HA 1 54 THR H 4.000 . 5.000 3.521 3.383 3.616 . 0 0 "[ . 1 . 2 ]" 1
382 1 51 ARG HA 1 53 ALA H 4.000 . 5.000 3.968 3.745 4.214 . 0 0 "[ . 1 . 2 ]" 1
383 1 51 ARG H 1 53 ALA H 4.000 . 5.000 3.733 3.570 3.877 . 0 0 "[ . 1 . 2 ]" 1
384 1 52 ALA HA 1 55 VAL HB 3.000 . 3.300 2.764 2.479 2.921 . 0 0 "[ . 1 . 2 ]" 1
385 1 52 ALA HA 1 56 LEU H 4.000 . 5.000 4.127 3.884 4.383 . 0 0 "[ . 1 . 2 ]" 1
386 1 52 ALA HA 1 55 VAL H 4.000 . 5.000 3.388 3.296 3.559 . 0 0 "[ . 1 . 2 ]" 1
387 1 52 ALA H 1 54 THR H 4.000 . 5.000 4.352 4.142 4.562 . 0 0 "[ . 1 . 2 ]" 1
388 1 52 ALA HA 1 55 VAL MG2 4.000 . 6.500 2.915 2.343 3.384 . 0 0 "[ . 1 . 2 ]" 1
389 1 52 ALA HA 1 55 VAL MG1 4.000 . 6.500 4.160 3.857 4.326 . 0 0 "[ . 1 . 2 ]" 1
390 1 52 ALA MB 1 55 VAL HB 3.000 . 4.800 3.993 3.789 4.201 . 0 0 "[ . 1 . 2 ]" 1
391 1 52 ALA MB 1 56 LEU QD 3.000 . 7.200 2.795 2.459 3.134 . 0 0 "[ . 1 . 2 ]" 1
392 1 53 ALA HA 1 56 LEU QB 4.000 . 6.000 2.322 2.119 2.581 . 0 0 "[ . 1 . 2 ]" 1
393 1 53 ALA HA 1 55 VAL H 4.000 . 5.000 4.565 4.252 4.822 . 0 0 "[ . 1 . 2 ]" 1
394 1 53 ALA HA 1 56 LEU MD1 3.000 . 4.800 3.149 1.837 3.890 . 0 0 "[ . 1 . 2 ]" 1
395 1 53 ALA HA 1 56 LEU MD2 3.000 . 4.800 3.573 2.911 4.185 . 0 0 "[ . 1 . 2 ]" 1
396 1 54 THR HA 1 57 ARG QB 4.000 . 6.000 2.652 2.231 2.971 . 0 0 "[ . 1 . 2 ]" 1
397 1 54 THR HA 1 57 ARG QD 4.000 . 6.000 3.806 2.997 4.825 . 0 0 "[ . 1 . 2 ]" 1
398 1 55 VAL HA 1 58 GLN QB 4.000 . 6.000 3.070 2.725 3.428 . 0 0 "[ . 1 . 2 ]" 1
399 1 55 VAL HA 1 58 GLN H 4.000 . 5.000 3.472 3.299 3.762 . 0 0 "[ . 1 . 2 ]" 1
400 1 55 VAL HA 1 57 ARG H 4.000 . 5.000 4.125 3.931 4.386 . 0 0 "[ . 1 . 2 ]" 1
401 1 56 LEU HA 1 59 PHE QB 4.000 . 6.000 2.274 1.928 2.842 . 0 0 "[ . 1 . 2 ]" 1
402 1 56 LEU HA 1 59 PHE H 4.000 . 5.000 3.163 2.959 3.400 . 0 0 "[ . 1 . 2 ]" 1
403 1 58 GLN HA 1 61 SER QB 4.000 . 6.000 2.510 1.944 4.413 . 0 0 "[ . 1 . 2 ]" 1
404 1 58 GLN H 1 60 TYR H 4.000 . 5.000 4.468 3.850 5.055 0.055 18 0 "[ . 1 . 2 ]" 1
405 1 59 PHE HA 1 62 HIS QB 4.000 . 6.000 4.659 3.189 5.385 . 0 0 "[ . 1 . 2 ]" 1
406 1 59 PHE HA 1 62 HIS H 4.000 . 5.000 4.511 3.686 4.914 . 0 0 "[ . 1 . 2 ]" 1
407 1 59 PHE H 1 61 SER H 4.000 . 5.000 3.875 3.658 4.678 . 0 0 "[ . 1 . 2 ]" 1
408 1 59 PHE HA 1 63 HIS HD2 3.000 . 3.300 2.791 1.986 3.407 0.107 6 0 "[ . 1 . 2 ]" 1
409 1 59 PHE QB 1 63 HIS HD2 4.000 . 6.000 4.268 3.012 5.371 . 0 0 "[ . 1 . 2 ]" 1
410 1 59 PHE QD 1 63 HIS QB 4.000 . 8.000 3.434 2.234 5.717 . 0 0 "[ . 1 . 2 ]" 1
411 1 60 TYR HA 1 63 HIS QB 4.000 . 6.000 4.026 2.485 5.416 . 0 0 "[ . 1 . 2 ]" 1
412 1 60 TYR HA 1 64 GLU H 4.000 . 5.000 3.978 2.949 5.123 0.123 12 0 "[ . 1 . 2 ]" 1
413 1 60 TYR HA 1 63 HIS H 4.000 . 5.000 4.467 3.633 5.124 0.124 6 0 "[ . 1 . 2 ]" 1
414 1 60 TYR HA 1 62 HIS H 4.000 . 5.000 4.867 4.091 5.269 0.269 6 0 "[ . 1 . 2 ]" 1
415 1 60 TYR H 1 62 HIS H 4.000 . 5.000 4.603 3.510 5.079 0.079 13 0 "[ . 1 . 2 ]" 1
416 1 61 SER HA 1 64 GLU QB 4.000 . 6.000 3.593 2.931 4.655 . 0 0 "[ . 1 . 2 ]" 1
417 1 61 SER H 1 63 HIS H 4.000 . 5.000 3.926 3.491 5.120 0.120 18 0 "[ . 1 . 2 ]" 1
418 1 62 HIS H 1 64 GLU H 4.000 . 5.000 4.006 3.630 4.673 . 0 0 "[ . 1 . 2 ]" 1
419 1 63 HIS HA 1 66 ASP QB 3.000 . 4.300 2.605 1.937 3.803 . 0 0 "[ . 1 . 2 ]" 1
420 1 63 HIS HA 1 66 ASP H 4.000 . 5.000 3.820 2.917 4.833 . 0 0 "[ . 1 . 2 ]" 1
421 1 67 THR HA 1 70 LEU QB 3.000 . 4.300 2.124 1.897 2.707 . 0 0 "[ . 1 . 2 ]" 1
422 1 67 THR H 1 69 CYS H 4.000 . 5.000 4.745 4.268 5.118 0.118 15 0 "[ . 1 . 2 ]" 1
423 1 67 THR HA 1 70 LEU HG 3.000 . 3.300 3.137 2.395 3.448 0.148 15 0 "[ . 1 . 2 ]" 1
424 1 67 THR HA 1 70 LEU QD 3.000 . 5.700 2.330 1.917 3.088 . 0 0 "[ . 1 . 2 ]" 1
425 1 67 THR HB 1 70 LEU QD 4.000 . 7.400 4.135 2.698 4.872 . 0 0 "[ . 1 . 2 ]" 1
426 1 67 THR HB 1 70 LEU QB 4.000 . 6.000 4.188 3.177 4.816 . 0 0 "[ . 1 . 2 ]" 1
427 1 67 THR MG 1 70 LEU QD 4.000 . 8.900 3.200 2.055 4.840 . 0 0 "[ . 1 . 2 ]" 1
428 1 68 ARG H 1 70 LEU H 4.000 . 5.000 3.863 3.593 4.177 . 0 0 "[ . 1 . 2 ]" 1
429 1 71 GLY QA 1 73 THR H 4.000 . 6.000 3.766 3.188 5.118 . 0 0 "[ . 1 . 2 ]" 1
430 1 71 GLY QA 1 76 GLN QB 4.000 . 7.000 3.537 2.034 5.234 . 0 0 "[ . 1 . 2 ]" 1
431 1 73 THR HA 1 75 GLN H 4.000 . 5.000 4.258 3.813 5.029 0.029 18 0 "[ . 1 . 2 ]" 1
432 1 73 THR MG 1 76 GLN QB 4.000 . 7.500 3.589 1.907 4.936 . 0 0 "[ . 1 . 2 ]" 1
433 1 73 THR MG 1 76 GLN QG 4.000 . 7.500 4.238 1.776 5.437 . 0 0 "[ . 1 . 2 ]" 1
434 1 74 ALA HA 1 77 PHE QB 3.000 . 4.300 2.776 2.045 3.906 . 0 0 "[ . 1 . 2 ]" 1
435 1 74 ALA MB 1 77 PHE QB 4.000 . 7.500 3.848 3.485 4.706 . 0 0 "[ . 1 . 2 ]" 1
436 1 75 GLN HA 1 78 HIS QB 4.000 . 6.000 3.341 2.733 4.151 . 0 0 "[ . 1 . 2 ]" 1
437 1 75 GLN HA 1 77 PHE H 4.000 . 5.000 4.038 3.821 4.237 . 0 0 "[ . 1 . 2 ]" 1
438 1 76 GLN HA 1 79 ARG QB 4.000 . 6.000 2.676 2.073 3.972 . 0 0 "[ . 1 . 2 ]" 1
439 1 76 GLN HA 1 79 ARG H 4.000 . 5.000 3.461 3.179 3.686 . 0 0 "[ . 1 . 2 ]" 1
440 1 76 GLN H 1 78 HIS H 4.000 . 5.000 4.524 4.065 4.965 . 0 0 "[ . 1 . 2 ]" 1
441 1 77 PHE HA 1 80 HIS QB 4.000 . 6.000 2.785 2.368 3.580 . 0 0 "[ . 1 . 2 ]" 1
442 1 77 PHE HA 1 80 HIS H 4.000 . 5.000 3.546 3.260 3.959 . 0 0 "[ . 1 . 2 ]" 1
443 1 77 PHE HA 1 80 HIS HD2 4.000 . 5.000 4.562 3.831 5.053 0.053 15 0 "[ . 1 . 2 ]" 1
444 1 78 HIS HA 1 81 LYS QB 4.000 . 6.000 2.868 1.984 3.583 . 0 0 "[ . 1 . 2 ]" 1
445 1 78 HIS HA 1 82 GLN H 4.000 . 5.000 4.774 4.298 5.039 0.039 22 0 "[ . 1 . 2 ]" 1
446 1 78 HIS HE1 1 82 GLN QG 4.000 . 6.000 4.474 3.385 5.315 . 0 0 "[ . 1 . 2 ]" 1
447 1 79 ARG HA 1 82 GLN QB 4.000 . 6.000 3.269 2.541 3.988 . 0 0 "[ . 1 . 2 ]" 1
448 1 79 ARG HA 1 83 LEU H 4.000 . 5.000 4.811 4.293 5.082 0.082 14 0 "[ . 1 . 2 ]" 1
449 1 79 ARG HA 1 82 GLN H 4.000 . 5.000 3.680 3.375 4.171 . 0 0 "[ . 1 . 2 ]" 1
450 1 80 HIS HA 1 83 LEU QB 4.000 . 6.000 2.725 2.271 3.324 . 0 0 "[ . 1 . 2 ]" 1
451 1 80 HIS HA 1 84 ILE H 4.000 . 5.000 4.378 3.593 4.765 . 0 0 "[ . 1 . 2 ]" 1
452 1 80 HIS H 1 82 GLN H 4.000 . 5.000 4.048 3.700 4.453 . 0 0 "[ . 1 . 2 ]" 1
453 1 80 HIS HE1 1 84 ILE MD 4.000 . 6.500 2.313 1.952 2.815 . 0 0 "[ . 1 . 2 ]" 1
454 1 80 HIS HE1 1 83 LEU QD 3.000 . 5.700 2.966 2.214 3.665 . 0 0 "[ . 1 . 2 ]" 1
455 1 80 HIS HA 1 83 LEU QD 4.000 . 7.400 3.492 2.441 4.142 . 0 0 "[ . 1 . 2 ]" 1
456 1 81 LYS HA 1 84 ILE HB 4.000 . 5.000 3.442 2.605 4.128 . 0 0 "[ . 1 . 2 ]" 1
457 1 81 LYS HA 1 84 ILE H 4.000 . 5.000 3.716 3.336 4.404 . 0 0 "[ . 1 . 2 ]" 1
458 1 81 LYS HA 1 83 LEU H 4.000 . 5.000 4.353 4.066 4.705 . 0 0 "[ . 1 . 2 ]" 1
459 1 81 LYS H 1 83 LEU H 4.000 . 5.000 4.216 3.901 4.594 . 0 0 "[ . 1 . 2 ]" 1
460 1 81 LYS HA 1 84 ILE MG 4.000 . 6.500 4.624 3.971 5.345 . 0 0 "[ . 1 . 2 ]" 1
461 1 82 GLN HA 1 85 ARG QB 3.000 . 4.300 2.784 2.264 3.117 . 0 0 "[ . 1 . 2 ]" 1
462 1 82 GLN HA 1 84 ILE H 4.000 . 5.000 4.427 3.911 4.934 . 0 0 "[ . 1 . 2 ]" 1
463 1 82 GLN H 1 84 ILE H 4.000 . 5.000 4.224 3.851 4.604 . 0 0 "[ . 1 . 2 ]" 1
464 1 82 GLN HA 1 85 ARG QG 4.000 . 6.000 4.299 2.799 5.004 . 0 0 "[ . 1 . 2 ]" 1
465 1 82 GLN HA 1 85 ARG QD 3.000 . 4.300 3.411 2.551 3.931 . 0 0 "[ . 1 . 2 ]" 1
466 1 83 LEU HA 1 86 PHE QB 4.000 . 6.000 2.835 2.376 3.254 . 0 0 "[ . 1 . 2 ]" 1
467 1 83 LEU HA 1 86 PHE H 4.000 . 5.000 3.607 3.307 3.884 . 0 0 "[ . 1 . 2 ]" 1
468 1 83 LEU HA 1 85 ARG H 4.000 . 5.000 4.404 4.194 4.731 . 0 0 "[ . 1 . 2 ]" 1
469 1 83 LEU H 1 85 ARG H 4.000 . 5.000 4.171 3.807 4.617 . 0 0 "[ . 1 . 2 ]" 1
470 1 83 LEU HA 1 86 PHE QE 4.000 . 7.000 6.085 4.322 6.528 . 0 0 "[ . 1 . 2 ]" 1
471 1 83 LEU HA 1 86 PHE QD 4.000 . 7.000 4.103 2.305 4.870 . 0 0 "[ . 1 . 2 ]" 1
472 1 84 ILE HA 1 87 LEU QB 3.000 . 4.300 2.923 2.494 4.011 . 0 0 "[ . 1 . 2 ]" 1
473 1 84 ILE HA 1 88 LYS H 4.000 . 5.000 4.329 3.920 4.556 . 0 0 "[ . 1 . 2 ]" 1
474 1 84 ILE HA 1 87 LEU H 4.000 . 5.000 3.563 3.294 4.025 . 0 0 "[ . 1 . 2 ]" 1
475 1 84 ILE H 1 86 PHE H 4.000 . 5.000 4.331 4.015 4.628 . 0 0 "[ . 1 . 2 ]" 1
476 1 84 ILE HA 1 87 LEU QD 3.000 . 5.700 3.349 1.803 4.346 . 0 0 "[ . 1 . 2 ]" 1
477 1 85 ARG HA 1 88 LYS QB 3.000 . 4.300 2.907 2.319 3.855 . 0 0 "[ . 1 . 2 ]" 1
478 1 85 ARG H 1 87 LEU H 4.000 . 5.000 4.149 3.889 4.653 . 0 0 "[ . 1 . 2 ]" 1
479 1 86 PHE HA 1 89 ARG QB 3.000 . 4.300 3.020 2.571 3.491 . 0 0 "[ . 1 . 2 ]" 1
480 1 86 PHE HA 1 90 LEU H 4.000 . 5.000 4.352 3.930 4.650 . 0 0 "[ . 1 . 2 ]" 1
481 1 86 PHE HA 1 89 ARG H 4.000 . 5.000 3.605 3.251 3.801 . 0 0 "[ . 1 . 2 ]" 1
482 1 86 PHE HA 1 88 LYS H 4.000 . 5.000 4.451 3.968 4.958 . 0 0 "[ . 1 . 2 ]" 1
483 1 87 LEU HA 1 90 LEU QB 4.000 . 6.000 2.866 2.295 3.425 . 0 0 "[ . 1 . 2 ]" 1
484 1 87 LEU H 1 89 ARG H 4.000 . 5.000 4.216 3.825 4.740 . 0 0 "[ . 1 . 2 ]" 1
485 1 87 LEU HA 1 90 LEU QD 3.000 . 5.700 3.788 3.065 4.107 . 0 0 "[ . 1 . 2 ]" 1
486 1 88 LYS HA 1 91 ASP QB 4.000 . 6.000 2.514 2.016 3.006 . 0 0 "[ . 1 . 2 ]" 1
487 1 88 LYS HA 1 92 ARG H 4.000 . 5.000 4.780 4.393 5.039 0.039 3 0 "[ . 1 . 2 ]" 1
488 1 88 LYS HA 1 91 ASP H 4.000 . 5.000 3.477 3.223 3.748 . 0 0 "[ . 1 . 2 ]" 1
489 1 88 LYS H 1 90 LEU H 4.000 . 5.000 4.347 3.771 4.878 . 0 0 "[ . 1 . 2 ]" 1
490 1 89 ARG HA 1 92 ARG QB 4.000 . 6.000 4.346 3.756 5.020 . 0 0 "[ . 1 . 2 ]" 1
491 1 89 ARG HA 1 92 ARG H 4.000 . 5.000 4.079 3.655 4.398 . 0 0 "[ . 1 . 2 ]" 1
492 1 89 ARG H 1 91 ASP H 4.000 . 5.000 3.847 3.721 4.072 . 0 0 "[ . 1 . 2 ]" 1
493 1 90 LEU HA 1 93 ASN QB 4.000 . 6.000 2.400 1.941 2.833 . 0 0 "[ . 1 . 2 ]" 1
494 1 90 LEU HA 1 93 ASN H 4.000 . 5.000 3.323 3.067 3.906 . 0 0 "[ . 1 . 2 ]" 1
495 1 91 ASP HA 1 94 LEU QB 4.000 . 6.000 3.715 3.009 4.883 . 0 0 "[ . 1 . 2 ]" 1
496 1 91 ASP HA 1 95 TRP H 4.000 . 5.000 4.584 3.600 5.083 0.083 3 0 "[ . 1 . 2 ]" 1
497 1 91 ASP HA 1 94 LEU H 4.000 . 5.000 4.251 3.699 4.928 . 0 0 "[ . 1 . 2 ]" 1
498 1 91 ASP HA 1 94 LEU QD 4.000 . 7.400 4.180 3.177 5.136 . 0 0 "[ . 1 . 2 ]" 1
499 1 92 ARG HA 1 95 TRP QB 4.000 . 6.000 4.407 1.969 5.299 . 0 0 "[ . 1 . 2 ]" 1
500 1 92 ARG HA 1 95 TRP H 4.000 . 5.000 4.087 3.605 4.371 . 0 0 "[ . 1 . 2 ]" 1
501 1 92 ARG HA 1 94 LEU H 4.000 . 5.000 4.429 3.642 5.051 0.051 6 0 "[ . 1 . 2 ]" 1
502 1 92 ARG H 1 94 LEU H 4.000 . 5.000 4.228 3.887 4.881 . 0 0 "[ . 1 . 2 ]" 1
503 1 92 ARG QD 1 95 TRP HZ2 4.000 . 6.000 4.951 3.711 5.467 . 0 0 "[ . 1 . 2 ]" 1
504 1 93 ASN HA 1 97 LEU H 4.000 . 5.000 4.387 3.906 5.045 0.045 6 0 "[ . 1 . 2 ]" 1
505 1 93 ASN HA 1 96 GLY H 4.000 . 5.000 3.713 3.306 4.135 . 0 0 "[ . 1 . 2 ]" 1
506 1 93 ASN HA 1 95 TRP H 4.000 . 5.000 4.983 4.533 5.148 0.148 21 0 "[ . 1 . 2 ]" 1
507 1 93 ASN H 1 95 TRP H 4.000 . 5.000 4.509 3.788 4.971 . 0 0 "[ . 1 . 2 ]" 1
508 1 94 LEU HA 1 97 LEU QB 4.000 . 6.000 4.526 3.043 5.394 . 0 0 "[ . 1 . 2 ]" 1
509 1 94 LEU HA 1 97 LEU H 4.000 . 5.000 4.510 3.466 4.823 . 0 0 "[ . 1 . 2 ]" 1
510 1 94 LEU HA 1 97 LEU QD 4.000 . 7.400 4.424 2.696 5.429 . 0 0 "[ . 1 . 2 ]" 1
511 1 95 TRP HA 1 98 ALA MB 4.000 . 6.500 2.241 1.838 2.961 . 0 0 "[ . 1 . 2 ]" 1
512 1 95 TRP H 1 97 LEU H 4.000 . 5.000 4.420 4.150 4.757 . 0 0 "[ . 1 . 2 ]" 1
513 1 95 TRP HH2 1 99 GLY QA 4.000 . 7.000 5.617 4.754 6.264 . 0 0 "[ . 1 . 2 ]" 1
514 1 95 TRP HE3 1 98 ALA MB 4.000 . 6.500 3.815 2.335 5.467 . 0 0 "[ . 1 . 2 ]" 1
515 1 95 TRP HD1 1 98 ALA MB 4.000 . 6.500 4.641 1.843 5.480 . 0 0 "[ . 1 . 2 ]" 1
516 1 98 ALA MB 1 100 LEU QD 2.500 . 6.600 3.440 2.830 3.986 . 0 0 "[ . 1 . 2 ]" 1
517 1 100 LEU QB 1 103 CYS QB 4.000 . 7.000 4.695 3.594 5.462 . 0 0 "[ . 1 . 2 ]" 1
518 1 100 LEU QD 1 103 CYS QB 4.000 . 8.400 4.317 1.800 5.432 . 0 0 "[ . 1 . 2 ]" 1
519 1 103 CYS H 1 105 VAL H 4.000 . 5.000 5.093 5.006 5.235 0.235 17 0 "[ . 1 . 2 ]" 1
520 1 107 GLU HA 1 109 ASP H 4.000 . 6.000 6.194 5.965 6.465 0.465 18 0 "[ . 1 . 2 ]" 1
521 1 109 ASP H 1 111 SER H 4.000 . 5.000 5.090 4.799 5.361 0.361 18 0 "[ . 1 . 2 ]" 1
522 1 110 GLN QB 1 112 THR MG 4.000 . 7.500 5.166 4.754 5.333 . 0 0 "[ . 1 . 2 ]" 1
523 1 110 GLN QG 1 112 THR MG 4.000 . 7.500 5.269 4.718 5.527 . 0 0 "[ . 1 . 2 ]" 1
524 1 112 THR HB 1 114 GLU QB 4.000 . 6.000 3.219 2.912 4.214 . 0 0 "[ . 1 . 2 ]" 1
525 1 112 THR HB 1 114 GLU QG 4.000 . 6.000 4.459 2.102 5.318 . 0 0 "[ . 1 . 2 ]" 1
526 1 113 LEU HA 1 116 PHE QB 4.000 . 6.000 2.215 1.942 2.929 . 0 0 "[ . 1 . 2 ]" 1
527 1 113 LEU HG 1 117 LEU QD 3.000 . 5.700 2.958 1.912 4.142 . 0 0 "[ . 1 . 2 ]" 1
528 1 113 LEU QD 1 117 LEU HG 3.000 . 5.700 3.322 1.882 4.214 . 0 0 "[ . 1 . 2 ]" 1
529 1 113 LEU QD 1 116 PHE QB 4.000 . 8.400 2.750 1.922 4.464 . 0 0 "[ . 1 . 2 ]" 1
530 1 113 LEU HA 1 116 PHE QD 4.000 . 4.700 3.437 2.158 4.062 . 0 0 "[ . 1 . 2 ]" 1
531 1 113 LEU QD 1 116 PHE QD 3.000 . 7.700 2.307 1.848 3.406 . 0 0 "[ . 1 . 2 ]" 1
532 1 113 LEU QD 1 116 PHE QE 3.000 . 7.700 3.401 2.010 3.985 . 0 0 "[ . 1 . 2 ]" 1
533 1 114 GLU HA 1 117 LEU QB 4.000 . 6.000 3.596 2.573 4.808 . 0 0 "[ . 1 . 2 ]" 1
534 1 115 ASN HA 1 118 GLU QB 4.000 . 6.000 2.292 2.104 2.908 . 0 0 "[ . 1 . 2 ]" 1
535 1 115 ASN HA 1 117 LEU H 4.000 . 5.000 4.753 4.130 5.085 0.085 5 0 "[ . 1 . 2 ]" 1
536 1 115 ASN H 1 117 LEU H 4.000 . 5.000 4.661 4.169 5.044 0.044 2 0 "[ . 1 . 2 ]" 1
537 1 115 ASN HA 1 118 GLU QG 3.000 . 4.300 3.746 3.507 3.970 . 0 0 "[ . 1 . 2 ]" 1
538 1 116 PHE HA 1 119 ARG QB 4.000 . 6.000 3.268 2.363 3.924 . 0 0 "[ . 1 . 2 ]" 1
539 1 116 PHE HA 1 120 LEU H 4.000 . 5.000 4.587 3.925 4.846 . 0 0 "[ . 1 . 2 ]" 1
540 1 116 PHE HA 1 119 ARG H 4.000 . 5.000 3.669 3.392 3.936 . 0 0 "[ . 1 . 2 ]" 1
541 1 116 PHE H 1 118 GLU H 4.000 . 5.000 3.787 3.516 4.046 . 0 0 "[ . 1 . 2 ]" 1
542 1 116 PHE HA 1 119 ARG QG 3.000 . 4.300 3.638 2.847 3.957 . 0 0 "[ . 1 . 2 ]" 1
543 1 117 LEU HA 1 120 LEU QB 4.000 . 6.000 2.131 1.923 2.702 . 0 0 "[ . 1 . 2 ]" 1
544 1 117 LEU HA 1 121 LYS H 4.000 . 5.000 4.260 4.113 4.379 . 0 0 "[ . 1 . 2 ]" 1
545 1 117 LEU H 1 119 ARG H 4.000 . 5.000 4.496 3.713 4.955 . 0 0 "[ . 1 . 2 ]" 1
546 1 117 LEU HA 1 120 LEU QD 3.000 . 5.700 2.693 1.955 3.404 . 0 0 "[ . 1 . 2 ]" 1
547 1 117 LEU QB 1 120 LEU QD 4.000 . 8.400 4.202 3.752 5.011 . 0 0 "[ . 1 . 2 ]" 1
548 1 118 GLU HA 1 122 THR H 4.000 . 5.000 4.431 4.217 4.609 . 0 0 "[ . 1 . 2 ]" 1
549 1 118 GLU HA 1 121 LYS H 4.000 . 5.000 3.713 3.523 3.948 . 0 0 "[ . 1 . 2 ]" 1
550 1 118 GLU HA 1 120 LEU H 4.000 . 5.000 3.967 3.793 4.249 . 0 0 "[ . 1 . 2 ]" 1
551 1 118 GLU QG 1 122 THR MG 3.000 . 5.800 3.846 3.476 4.101 . 0 0 "[ . 1 . 2 ]" 1
552 1 119 ARG HA 1 122 THR HB 3.000 . 3.300 3.502 3.394 3.710 0.410 21 0 "[ . 1 . 2 ]" 1
553 1 119 ARG H 1 121 LYS H 4.000 . 5.000 4.544 4.159 4.937 . 0 0 "[ . 1 . 2 ]" 1
554 1 120 LEU HA 1 123 ILE HB 3.000 . 3.300 3.017 2.555 3.219 . 0 0 "[ . 1 . 2 ]" 1
555 1 120 LEU HA 1 122 THR H 4.400 . 5.400 4.605 4.179 5.079 . 0 0 "[ . 1 . 2 ]" 1
556 1 120 LEU H 1 122 THR H 4.000 . 5.000 4.027 3.751 4.377 . 0 0 "[ . 1 . 2 ]" 1
557 1 121 LYS HA 1 124 MET QB 4.000 . 6.000 2.927 2.358 3.412 . 0 0 "[ . 1 . 2 ]" 1
558 1 121 LYS HA 1 125 ARG H 4.000 . 5.000 4.136 3.414 4.606 . 0 0 "[ . 1 . 2 ]" 1
559 1 121 LYS HA 1 124 MET H 4.000 . 5.000 3.609 3.331 4.202 . 0 0 "[ . 1 . 2 ]" 1
560 1 121 LYS H 1 123 ILE H 4.000 . 5.000 4.274 4.079 4.600 . 0 0 "[ . 1 . 2 ]" 1
561 1 122 THR HA 1 125 ARG QB 3.000 . 4.300 3.391 2.716 3.826 . 0 0 "[ . 1 . 2 ]" 1
562 1 122 THR HA 1 126 GLU H 4.000 . 5.000 4.113 3.565 4.594 . 0 0 "[ . 1 . 2 ]" 1
563 1 122 THR HA 1 125 ARG H 4.000 . 5.000 3.859 3.312 4.357 . 0 0 "[ . 1 . 2 ]" 1
564 1 122 THR HA 1 124 MET H 4.000 . 5.000 4.422 4.125 5.038 0.038 13 0 "[ . 1 . 2 ]" 1
565 1 122 THR H 1 124 MET H 4.000 . 5.000 4.165 3.696 4.556 . 0 0 "[ . 1 . 2 ]" 1
566 1 123 ILE HA 1 126 GLU QB 3.000 . 4.300 3.082 2.205 3.975 . 0 0 "[ . 1 . 2 ]" 1
567 1 123 ILE HA 1 126 GLU H 4.000 . 5.000 3.864 3.398 4.416 . 0 0 "[ . 1 . 2 ]" 1
568 1 123 ILE H 1 125 ARG H 4.000 . 5.000 4.526 4.070 5.044 0.044 7 0 "[ . 1 . 2 ]" 1
569 1 124 MET HA 1 127 LYS QB 4.000 . 6.000 3.993 3.197 5.051 . 0 0 "[ . 1 . 2 ]" 1
570 1 124 MET HA 1 128 TYR H 4.000 . 5.000 3.659 2.806 4.444 . 0 0 "[ . 1 . 2 ]" 1
571 1 124 MET HA 1 127 LYS H 4.000 . 5.000 4.096 3.691 4.527 . 0 0 "[ . 1 . 2 ]" 1
572 1 124 MET H 1 126 GLU H 4.000 . 5.000 4.156 3.785 4.936 . 0 0 "[ . 1 . 2 ]" 1
573 1 124 MET HA 1 128 TYR QD 3.000 . 5.300 3.019 1.951 4.525 . 0 0 "[ . 1 . 2 ]" 1
574 1 124 MET ME 1 128 TYR QD 3.000 . 6.800 4.618 3.882 5.311 . 0 0 "[ . 1 . 2 ]" 1
575 1 124 MET QB 1 128 TYR QD 3.000 . 6.300 3.651 2.062 4.642 . 0 0 "[ . 1 . 2 ]" 1
576 1 124 MET HA 1 128 TYR QE 4.000 . 7.000 3.812 2.198 6.350 . 0 0 "[ . 1 . 2 ]" 1
577 1 124 MET ME 1 128 TYR QE 4.000 . 8.500 4.441 2.760 6.340 . 0 0 "[ . 1 . 2 ]" 1
578 1 124 MET QB 1 128 TYR QE 4.000 . 8.000 4.434 3.242 5.678 . 0 0 "[ . 1 . 2 ]" 1
579 1 125 ARG HA 1 128 TYR QB 4.000 . 6.000 3.655 2.532 4.508 . 0 0 "[ . 1 . 2 ]" 1
580 1 125 ARG HA 1 128 TYR H 4.000 . 5.000 4.061 3.589 4.653 . 0 0 "[ . 1 . 2 ]" 1
581 1 125 ARG HA 1 127 LYS H 4.000 . 5.000 4.795 4.116 5.157 0.157 12 0 "[ . 1 . 2 ]" 1
582 1 127 LYS HA 1 130 LYS QB 4.000 . 6.000 4.616 3.311 5.522 . 0 0 "[ . 1 . 2 ]" 1
583 1 129 SER H 1 131 CYS H 4.000 . 5.000 4.627 3.897 5.209 0.209 15 0 "[ . 1 . 2 ]" 1
584 1 10 THR MG 1 97 LEU QD 3.000 . 7.200 2.065 1.686 2.977 . 0 0 "[ . 1 . 2 ]" 1
585 1 10 THR HB 1 97 LEU QD 3.000 . 5.700 2.572 1.860 3.507 . 0 0 "[ . 1 . 2 ]" 1
586 1 10 THR HA 1 97 LEU QD 4.000 . 6.700 4.519 4.103 4.906 . 0 0 "[ . 1 . 2 ]" 1
587 1 10 THR MG 1 93 ASN HA 3.000 . 4.800 4.047 3.621 4.188 . 0 0 "[ . 1 . 2 ]" 1
588 1 10 THR MG 1 93 ASN QB 3.000 . 5.800 3.727 2.686 4.191 . 0 0 "[ . 1 . 2 ]" 1
589 1 11 LEU QD 1 46 LYS QB 4.000 . 8.400 5.484 4.806 5.650 . 0 0 "[ . 1 . 2 ]" 1
590 1 11 LEU QD 1 124 MET ME 3.000 . 7.200 4.180 2.953 4.437 . 0 0 "[ . 1 . 2 ]" 1
591 1 11 LEU HG 1 128 TYR QD 3.000 . 5.300 3.724 2.263 4.688 . 0 0 "[ . 1 . 2 ]" 1
592 1 11 LEU QB 1 128 TYR QD 3.000 . 6.300 3.312 1.849 4.484 . 0 0 "[ . 1 . 2 ]" 1
593 1 11 LEU QD 1 128 TYR QD 3.000 . 7.700 2.761 1.972 3.898 . 0 0 "[ . 1 . 2 ]" 1
594 1 11 LEU QD 1 128 TYR HA 4.000 . 7.400 3.626 1.944 4.856 . 0 0 "[ . 1 . 2 ]" 1
595 1 11 LEU QD 1 128 TYR QB 3.000 . 6.700 3.055 1.642 4.000 . 0 0 "[ . 1 . 2 ]" 1
596 1 11 LEU QD 1 128 TYR QE 4.000 . 9.400 3.076 1.836 5.567 . 0 0 "[ . 1 . 2 ]" 1
597 1 14 ILE HA 1 90 LEU QD 3.000 . 5.700 3.002 2.272 4.083 . 0 0 "[ . 1 . 2 ]" 1
598 1 14 ILE HG13 1 90 LEU HA 4.000 . 6.000 4.351 3.001 5.191 . 0 0 "[ . 1 . 2 ]" 1
599 1 14 ILE HG13 1 93 ASN QB 4.000 . 7.000 2.472 2.034 3.306 . 0 0 "[ . 1 . 2 ]" 1
600 1 14 ILE HG12 1 93 ASN QB 4.000 . 7.000 3.020 2.117 4.182 . 0 0 "[ . 1 . 2 ]" 1
601 1 14 ILE MD 1 93 ASN QB 3.000 . 5.800 2.321 1.765 3.284 . 0 0 "[ . 1 . 2 ]" 1
602 1 14 ILE MD 1 97 LEU QB 3.000 . 5.800 3.669 2.558 4.275 . 0 0 "[ . 1 . 2 ]" 1
603 1 14 ILE MG 1 124 MET ME 3.000 . 6.300 1.731 1.653 1.949 . 0 0 "[ . 1 . 2 ]" 1
604 1 14 ILE MG 1 124 MET QB 3.000 . 5.800 4.163 3.763 4.462 . 0 0 "[ . 1 . 2 ]" 1
605 1 14 ILE MG 1 124 MET QG 3.000 . 5.800 3.844 2.833 4.424 . 0 0 "[ . 1 . 2 ]" 1
606 1 15 ILE QG 1 124 MET HA 3.000 . 4.300 3.746 3.234 4.134 . 0 0 "[ . 1 . 2 ]" 1
607 1 15 ILE MD 1 124 MET QB 4.000 . 7.500 3.141 2.228 3.908 . 0 0 "[ . 1 . 2 ]" 1
608 1 15 ILE MG 1 124 MET QB 4.000 . 7.500 3.304 2.211 3.864 . 0 0 "[ . 1 . 2 ]" 1
609 1 15 ILE QG 1 124 MET QG 3.000 . 5.300 3.322 1.719 3.976 . 0 0 "[ . 1 . 2 ]" 1
610 1 15 ILE QG 1 124 MET ME 3.000 . 5.800 2.641 1.851 3.277 . 0 0 "[ . 1 . 2 ]" 1
611 1 15 ILE MD 1 124 MET ME 3.000 . 6.300 3.625 1.820 4.445 . 0 0 "[ . 1 . 2 ]" 1
612 1 15 ILE MD 1 128 TYR QB 3.000 . 5.800 2.147 1.757 2.912 . 0 0 "[ . 1 . 2 ]" 1
613 1 15 ILE MD 1 128 TYR QD 3.000 . 6.800 2.389 1.844 3.114 . 0 0 "[ . 1 . 2 ]" 1
614 1 15 ILE QG 1 128 TYR QD 4.000 . 8.000 3.007 2.087 4.105 . 0 0 "[ . 1 . 2 ]" 1
615 1 15 ILE MG 1 128 TYR QD 3.000 . 6.800 4.483 3.770 5.202 . 0 0 "[ . 1 . 2 ]" 1
616 1 15 ILE QG 1 128 TYR QE 4.000 . 8.000 3.741 2.502 4.971 . 0 0 "[ . 1 . 2 ]" 1
617 1 15 ILE MG 1 128 TYR QE 4.000 . 8.500 5.135 3.109 6.430 . 0 0 "[ . 1 . 2 ]" 1
618 1 17 THR HA 1 86 PHE QD 3.000 . 5.300 3.744 2.963 4.460 . 0 0 "[ . 1 . 2 ]" 1
619 1 17 THR HA 1 86 PHE QE 3.000 . 5.300 2.544 1.953 3.818 . 0 0 "[ . 1 . 2 ]" 1
620 1 17 THR MG 1 89 ARG HE 3.000 . 5.800 3.958 2.721 4.748 . 0 0 "[ . 1 . 2 ]" 1
621 1 17 THR MG 1 89 ARG QB 3.000 . 5.800 3.264 2.525 4.236 . 0 0 "[ . 1 . 2 ]" 1
622 1 17 THR MG 1 89 ARG HG3 3.000 . 5.800 4.592 3.458 4.835 . 0 0 "[ . 1 . 2 ]" 1
623 1 17 THR MG 1 86 PHE HA 3.000 . 4.800 3.675 2.935 4.074 . 0 0 "[ . 1 . 2 ]" 1
624 1 17 THR MG 1 86 PHE QB 3.000 . 5.800 3.462 2.535 3.941 . 0 0 "[ . 1 . 2 ]" 1
625 1 17 THR MG 1 90 LEU HA 4.000 . 6.500 3.883 2.765 4.754 . 0 0 "[ . 1 . 2 ]" 1
626 1 17 THR HB 1 90 LEU QD 2.500 . 5.100 2.228 1.829 3.463 . 0 0 "[ . 1 . 2 ]" 1
627 1 18 LEU HA 1 86 PHE QE 4.000 . 8.000 6.373 3.481 7.366 . 0 0 "[ . 1 . 2 ]" 1
628 1 18 LEU QD 1 120 LEU HA 3.000 . 5.700 3.781 3.304 4.157 . 0 0 "[ . 1 . 2 ]" 1
629 1 18 LEU QD 1 120 LEU HG 3.000 . 5.700 3.792 3.420 4.147 . 0 0 "[ . 1 . 2 ]" 1
630 1 18 LEU QD 1 120 LEU QD 3.000 . 8.100 1.823 1.594 2.237 . 0 0 "[ . 1 . 2 ]" 1
631 1 18 LEU QD 1 124 MET HA 4.000 . 7.400 5.067 4.283 5.629 . 0 0 "[ . 1 . 2 ]" 1
632 1 18 LEU QD 1 124 MET QB 4.000 . 8.400 3.167 2.283 3.970 . 0 0 "[ . 1 . 2 ]" 1
633 1 18 LEU QD 1 124 MET QG 3.000 . 6.700 2.679 1.666 4.155 . 0 0 "[ . 1 . 2 ]" 1
634 1 18 LEU HG 1 124 MET QG 3.000 . 4.300 3.156 1.918 4.020 . 0 0 "[ . 1 . 2 ]" 1
635 1 18 LEU HA 1 124 MET ME 3.000 . 4.800 4.007 3.809 4.123 . 0 0 "[ . 1 . 2 ]" 1
636 1 18 LEU QD 1 124 MET ME 3.000 . 7.200 2.167 1.757 3.052 . 0 0 "[ . 1 . 2 ]" 1
637 1 18 LEU QD 1 121 LYS HA 3.000 . 5.700 2.166 1.832 2.945 . 0 0 "[ . 1 . 2 ]" 1
638 1 21 LEU QB 1 59 PHE QD 4.000 . 8.000 6.196 5.384 6.564 . 0 0 "[ . 1 . 2 ]" 1
639 1 21 LEU HA 1 83 LEU QD 4.000 . 7.400 3.478 2.472 5.164 . 0 0 "[ . 1 . 2 ]" 1
640 1 21 LEU QD 1 86 PHE QD 4.000 . 9.400 2.970 2.150 3.965 . 0 0 "[ . 1 . 2 ]" 1
641 1 21 LEU QD 1 86 PHE HA 4.000 . 7.400 4.177 3.788 5.505 . 0 0 "[ . 1 . 2 ]" 1
642 1 21 LEU MD1 1 86 PHE QB 4.000 . 7.500 3.065 1.816 4.709 . 0 0 "[ . 1 . 2 ]" 1
643 1 21 LEU MD2 1 86 PHE QB 4.000 . 7.500 2.639 1.830 4.536 . 0 0 "[ . 1 . 2 ]" 1
644 1 27 LEU QD 1 71 GLY QA 4.000 . 9.400 3.884 2.264 5.627 . 0 0 "[ . 1 . 2 ]" 1
645 1 28 CYS QB 1 80 HIS HE1 4.000 . 6.000 5.136 4.213 5.418 . 0 0 "[ . 1 . 2 ]" 1
646 1 28 CYS QB 1 83 LEU QD 3.000 . 6.700 3.010 2.454 3.826 . 0 0 "[ . 1 . 2 ]" 1
647 1 29 THR HA 1 113 LEU QB 3.000 . 4.300 2.274 1.935 3.265 . 0 0 "[ . 1 . 2 ]" 1
648 1 29 THR HA 1 113 LEU QD 3.000 . 5.700 2.201 1.889 3.380 . 0 0 "[ . 1 . 2 ]" 1
649 1 29 THR HB 1 114 GLU HA 3.000 . 3.300 2.768 1.964 3.343 0.043 4 0 "[ . 1 . 2 ]" 1
650 1 29 THR HB 1 114 GLU QB 3.000 . 4.300 3.618 2.546 4.004 . 0 0 "[ . 1 . 2 ]" 1
651 1 29 THR HB 1 114 GLU QG 3.000 . 4.300 2.852 1.971 3.888 . 0 0 "[ . 1 . 2 ]" 1
652 1 29 THR HB 1 113 LEU QB 4.000 . 6.000 2.605 1.960 3.557 . 0 0 "[ . 1 . 2 ]" 1
653 1 29 THR HB 1 113 LEU QD 3.000 . 5.700 3.115 2.048 3.768 . 0 0 "[ . 1 . 2 ]" 1
654 1 29 THR MG 1 113 LEU QD 3.000 . 7.200 2.071 1.802 2.751 . 0 0 "[ . 1 . 2 ]" 1
655 1 29 THR MG 1 83 LEU MD1 4.000 . 8.000 4.865 4.354 5.384 . 0 0 "[ . 1 . 2 ]" 1
656 1 29 THR MG 1 83 LEU MD2 4.000 . 8.000 5.337 5.074 5.455 . 0 0 "[ . 1 . 2 ]" 1
657 1 31 LEU QD 1 63 HIS HD2 4.000 . 7.400 3.703 2.164 5.385 . 0 0 "[ . 1 . 2 ]" 1
658 1 31 LEU MD1 1 63 HIS HE1 4.000 . 6.500 3.446 1.912 5.407 . 0 0 "[ . 1 . 2 ]" 1
659 1 31 LEU MD2 1 63 HIS HE1 4.000 . 6.500 3.474 2.247 5.148 . 0 0 "[ . 1 . 2 ]" 1
660 1 32 THR HA 1 112 THR HB 4.000 . 5.000 4.246 4.032 4.556 . 0 0 "[ . 1 . 2 ]" 1
661 1 32 THR HA 1 112 THR HA 2.500 . 2.700 2.082 1.915 2.347 . 0 0 "[ . 1 . 2 ]" 1
662 1 32 THR HA 1 112 THR MG 3.000 . 4.800 3.590 3.237 3.951 . 0 0 "[ . 1 . 2 ]" 1
663 1 32 THR HA 1 110 GLN QG 4.000 . 6.000 4.607 4.013 5.325 . 0 0 "[ . 1 . 2 ]" 1
664 1 32 THR HB 1 110 GLN QB 3.000 . 4.300 3.090 1.925 3.900 . 0 0 "[ . 1 . 2 ]" 1
665 1 32 THR HB 1 110 GLN QG 3.000 . 4.300 2.445 1.895 3.497 . 0 0 "[ . 1 . 2 ]" 1
666 1 32 THR MG 1 112 THR HB 3.000 . 4.800 3.757 3.398 3.912 . 0 0 "[ . 1 . 2 ]" 1
667 1 32 THR MG 1 112 THR HA 3.000 . 4.800 2.324 1.973 2.846 . 0 0 "[ . 1 . 2 ]" 1
668 1 32 THR MG 1 110 GLN QG 3.000 . 5.800 3.109 2.560 3.627 . 0 0 "[ . 1 . 2 ]" 1
669 1 32 THR MG 1 110 GLN QB 3.000 . 5.800 3.301 2.495 3.879 . 0 0 "[ . 1 . 2 ]" 1
670 1 33 VAL H 1 112 THR HA 3.300 2.500 3.500 3.277 2.903 3.519 0.019 21 0 "[ . 1 . 2 ]" 1
671 1 33 VAL H 1 111 SER H 3.300 2.500 3.500 3.599 3.434 3.907 0.407 18 0 "[ . 1 . 2 ]" 1
672 1 33 VAL MG1 1 113 LEU HA 3.000 . 4.800 3.448 1.853 4.007 . 0 0 "[ . 1 . 2 ]" 1
673 1 33 VAL MG2 1 113 LEU HA 3.000 . 4.800 2.282 1.928 3.883 . 0 0 "[ . 1 . 2 ]" 1
674 1 33 VAL QG 1 111 SER QB 4.000 . 8.400 3.827 3.152 4.428 . 0 0 "[ . 1 . 2 ]" 1
675 1 33 VAL QG 1 116 PHE QB 3.000 . 6.700 2.587 2.194 3.141 . 0 0 "[ . 1 . 2 ]" 1
676 1 33 VAL HA 1 55 VAL QG 3.000 . 5.700 3.958 3.498 4.263 . 0 0 "[ . 1 . 2 ]" 1
677 1 33 VAL HB 1 55 VAL QG 2.500 . 5.100 2.424 1.977 3.237 . 0 0 "[ . 1 . 2 ]" 1
678 1 33 VAL QG 1 55 VAL MG1 3.000 . 7.200 2.564 1.990 3.010 . 0 0 "[ . 1 . 2 ]" 1
679 1 33 VAL QG 1 55 VAL MG2 3.000 . 7.200 3.950 3.079 4.484 . 0 0 "[ . 1 . 2 ]" 1
680 1 33 VAL QG 1 59 PHE QB 4.000 . 8.400 4.033 2.314 5.250 . 0 0 "[ . 1 . 2 ]" 1
681 1 33 VAL QG 1 116 PHE QD 3.000 . 7.700 3.083 2.270 3.754 . 0 0 "[ . 1 . 2 ]" 1
682 1 34 THR HA 1 111 SER H 3.300 2.500 3.500 2.975 2.360 3.586 0.140 19 0 "[ . 1 . 2 ]" 1
683 1 34 THR HA 1 110 GLN HA 3.000 . 3.300 3.173 2.519 3.386 0.086 20 0 "[ . 1 . 2 ]" 1
684 1 34 THR HA 1 110 GLN QG 4.000 . 6.000 4.813 4.186 5.611 . 0 0 "[ . 1 . 2 ]" 1
685 1 34 THR HA 1 110 GLN QB 4.000 . 6.000 5.104 3.932 5.455 . 0 0 "[ . 1 . 2 ]" 1
686 1 35 ASP HA 1 116 PHE QD 3.000 . 5.300 3.483 2.360 4.201 . 0 0 "[ . 1 . 2 ]" 1
687 1 35 ASP HA 1 111 SER QB 4.000 . 6.000 3.327 2.498 3.750 . 0 0 "[ . 1 . 2 ]" 1
688 1 35 ASP HB3 1 111 SER QB 3.000 . 4.300 3.194 1.844 3.649 . 0 0 "[ . 1 . 2 ]" 1
689 1 35 ASP HB2 1 111 SER QB 3.000 . 4.300 2.058 1.838 3.352 . 0 0 "[ . 1 . 2 ]" 1
690 1 36 ILE HA 1 107 GLU QG 4.000 . 6.000 4.988 4.120 5.451 . 0 0 "[ . 1 . 2 ]" 1
691 1 36 ILE HA 1 108 ALA MB 3.000 . 4.800 3.521 2.701 3.887 . 0 0 "[ . 1 . 2 ]" 1
692 1 36 ILE MD 1 48 THR HA 3.000 . 4.800 3.575 3.074 3.934 . 0 0 "[ . 1 . 2 ]" 1
693 1 36 ILE QG 1 48 THR MG 3.000 . 5.800 3.139 2.547 3.997 . 0 0 "[ . 1 . 2 ]" 1
694 1 36 ILE MD 1 48 THR MG 3.000 . 6.300 2.410 1.935 3.203 . 0 0 "[ . 1 . 2 ]" 1
695 1 36 ILE MG 1 51 ARG QB 4.000 . 7.500 2.820 2.196 3.615 . 0 0 "[ . 1 . 2 ]" 1
696 1 36 ILE MG 1 52 ALA HA 4.000 . 6.500 3.456 2.997 3.988 . 0 0 "[ . 1 . 2 ]" 1
697 1 36 ILE MG 1 52 ALA MB 3.000 . 6.300 3.715 3.247 4.153 . 0 0 "[ . 1 . 2 ]" 1
698 1 36 ILE QG 1 52 ALA HA 4.000 . 6.000 4.912 4.266 5.418 . 0 0 "[ . 1 . 2 ]" 1
699 1 36 ILE MD 1 52 ALA HA 3.000 . 4.800 2.829 2.188 3.388 . 0 0 "[ . 1 . 2 ]" 1
700 1 36 ILE MD 1 52 ALA MB 3.000 . 6.300 2.085 1.831 2.563 . 0 0 "[ . 1 . 2 ]" 1
701 1 36 ILE QG 1 52 ALA MB 3.000 . 5.800 3.867 3.441 4.202 . 0 0 "[ . 1 . 2 ]" 1
702 1 37 PHE HZ 1 123 ILE MD 4.000 . 6.500 4.911 2.071 5.509 . 0 0 "[ . 1 . 2 ]" 1
703 1 37 PHE HZ 1 123 ILE QG 3.000 . 4.300 3.666 3.382 3.919 . 0 0 "[ . 1 . 2 ]" 1
704 1 37 PHE HZ 1 123 ILE MG 4.000 . 6.500 4.507 3.758 5.103 . 0 0 "[ . 1 . 2 ]" 1
705 1 37 PHE HZ 1 48 THR MG 4.000 . 6.500 3.483 2.297 4.365 . 0 0 "[ . 1 . 2 ]" 1
706 1 37 PHE HZ 1 120 LEU HA 4.000 . 5.000 3.220 2.984 3.666 . 0 0 "[ . 1 . 2 ]" 1
707 1 37 PHE HZ 1 120 LEU HG 4.000 . 5.000 2.973 2.331 3.634 . 0 0 "[ . 1 . 2 ]" 1
708 1 37 PHE HZ 1 120 LEU QB 4.000 . 6.000 4.411 4.077 4.767 . 0 0 "[ . 1 . 2 ]" 1
709 1 37 PHE HZ 1 120 LEU QD 4.000 . 7.400 3.064 2.241 4.079 . 0 0 "[ . 1 . 2 ]" 1
710 1 37 PHE QE 1 123 ILE MD 4.000 . 8.500 3.547 2.002 4.842 . 0 0 "[ . 1 . 2 ]" 1
711 1 37 PHE QE 1 116 PHE HA 3.000 . 5.300 3.366 3.016 4.036 . 0 0 "[ . 1 . 2 ]" 1
712 1 37 PHE QE 1 120 LEU HA 3.000 . 5.300 3.933 3.296 4.381 . 0 0 "[ . 1 . 2 ]" 1
713 1 37 PHE QE 1 123 ILE QG 4.000 . 8.000 2.746 1.939 3.591 . 0 0 "[ . 1 . 2 ]" 1
714 1 37 PHE QE 1 123 ILE MG 4.000 . 8.500 3.461 2.635 4.361 . 0 0 "[ . 1 . 2 ]" 1
715 1 37 PHE QE 1 48 THR HB 4.000 . 7.000 4.992 3.925 5.930 . 0 0 "[ . 1 . 2 ]" 1
716 1 37 PHE QE 1 48 THR MG 3.000 . 6.800 2.606 1.924 3.672 . 0 0 "[ . 1 . 2 ]" 1
717 1 37 PHE QE 1 120 LEU QB 4.000 . 8.000 4.312 3.896 4.947 . 0 0 "[ . 1 . 2 ]" 1
718 1 37 PHE QD 1 116 PHE HA 4.000 . 7.000 3.577 2.778 4.345 . 0 0 "[ . 1 . 2 ]" 1
719 1 37 PHE QD 1 123 ILE QG 3.000 . 6.300 3.709 2.811 4.636 . 0 0 "[ . 1 . 2 ]" 1
720 1 37 PHE QD 1 48 THR MG 4.000 . 8.500 3.932 3.177 4.979 . 0 0 "[ . 1 . 2 ]" 1
721 1 37 PHE QD 1 120 LEU QB 4.000 . 8.000 6.107 5.624 6.507 . 0 0 "[ . 1 . 2 ]" 1
722 1 37 PHE QD 1 120 LEU HG 4.000 . 7.000 5.890 4.765 6.478 . 0 0 "[ . 1 . 2 ]" 1
723 1 37 PHE QD 1 120 LEU QD 4.000 . 9.400 5.136 4.044 5.894 . 0 0 "[ . 1 . 2 ]" 1
724 1 43 THR MG 1 51 ARG QD 3.000 . 5.800 3.679 2.551 4.364 . 0 0 "[ . 1 . 2 ]" 1
725 1 45 GLU QG 1 98 ALA HA 4.000 . 6.000 5.207 4.527 5.479 . 0 0 "[ . 1 . 2 ]" 1
726 1 46 LYS HA 1 98 ALA HA 4.000 . 5.000 3.038 2.415 3.660 . 0 0 "[ . 1 . 2 ]" 1
727 1 46 LYS QG 1 98 ALA HA 4.000 . 6.000 3.541 1.967 4.326 . 0 0 "[ . 1 . 2 ]" 1
728 1 49 PHE QD 1 95 TRP HA 3.000 . 5.300 4.412 3.319 5.119 . 0 0 "[ . 1 . 2 ]" 1
729 1 49 PHE QD 1 94 LEU QD 4.000 . 9.400 2.499 1.877 3.663 . 0 0 "[ . 1 . 2 ]" 1
730 1 49 PHE QD 1 124 MET ME 3.000 . 6.800 4.772 4.252 5.218 . 0 0 "[ . 1 . 2 ]" 1
731 1 49 PHE QD 1 97 LEU QD 3.000 . 7.700 3.906 2.825 4.927 . 0 0 "[ . 1 . 2 ]" 1
732 1 49 PHE HA 1 94 LEU QD 3.000 . 5.700 2.569 1.991 3.412 . 0 0 "[ . 1 . 2 ]" 1
733 1 49 PHE QD 1 94 LEU HG 3.000 . 5.300 3.098 2.002 4.623 . 0 0 "[ . 1 . 2 ]" 1
734 1 49 PHE QB 1 98 ALA MB 3.000 . 5.800 2.553 1.755 3.350 . 0 0 "[ . 1 . 2 ]" 1
735 1 49 PHE QB 1 94 LEU QD 4.000 . 8.400 2.798 1.969 3.691 . 0 0 "[ . 1 . 2 ]" 1
736 1 49 PHE HZ 1 124 MET ME 4.000 . 6.500 4.105 3.354 5.140 . 0 0 "[ . 1 . 2 ]" 1
737 1 49 PHE QE 1 124 MET ME 3.000 . 6.800 3.671 3.135 4.211 . 0 0 "[ . 1 . 2 ]" 1
738 1 50 CYS HA 1 95 TRP HE3 4.000 . 5.000 4.234 2.066 5.441 0.441 17 0 "[ . 1 . 2 ]" 1
739 1 50 CYS HA 1 95 TRP HD1 4.000 . 5.000 4.748 2.696 5.495 0.495 6 0 "[ . 1 . 2 ]" 1
740 1 50 CYS QB 1 98 ALA MB 3.000 . 5.800 2.579 1.862 3.162 . 0 0 "[ . 1 . 2 ]" 1
741 1 51 ARG HA 1 105 VAL QG 3.000 . 5.700 2.972 1.853 4.284 . 0 0 "[ . 1 . 2 ]" 1
742 1 51 ARG QB 1 105 VAL QG 4.000 . 8.400 3.102 2.053 3.893 . 0 0 "[ . 1 . 2 ]" 1
743 1 51 ARG QG 1 105 VAL QG 4.000 . 8.400 2.648 1.864 3.855 . 0 0 "[ . 1 . 2 ]" 1
744 1 52 ALA HA 1 116 PHE QD 4.000 . 7.000 5.790 4.656 6.309 . 0 0 "[ . 1 . 2 ]" 1
745 1 52 ALA MB 1 116 PHE QD 3.000 . 6.800 4.819 3.922 5.191 . 0 0 "[ . 1 . 2 ]" 1
746 1 52 ALA HA 1 116 PHE HZ 4.000 . 5.000 3.263 2.228 3.795 . 0 0 "[ . 1 . 2 ]" 1
747 1 52 ALA MB 1 116 PHE HZ 3.000 . 4.800 2.303 1.913 2.662 . 0 0 "[ . 1 . 2 ]" 1
748 1 53 ALA HA 1 91 ASP HA 4.000 . 5.000 4.031 3.226 4.688 . 0 0 "[ . 1 . 2 ]" 1
749 1 53 ALA MB 1 91 ASP HA 4.000 . 6.500 3.779 2.721 4.510 . 0 0 "[ . 1 . 2 ]" 1
750 1 53 ALA MB 1 95 TRP QB 4.000 . 7.500 1.998 1.644 2.298 . 0 0 "[ . 1 . 2 ]" 1
751 1 53 ALA MB 1 95 TRP HE3 4.000 . 6.500 4.183 2.300 5.503 . 0 0 "[ . 1 . 2 ]" 1
752 1 54 THR HB 1 105 VAL MG1 4.000 . 6.500 3.335 1.866 5.288 . 0 0 "[ . 1 . 2 ]" 1
753 1 54 THR HB 1 105 VAL MG2 4.000 . 6.500 3.554 2.050 5.095 . 0 0 "[ . 1 . 2 ]" 1
754 1 54 THR HB 1 105 VAL HB 4.000 . 5.000 3.823 2.411 5.007 0.007 2 0 "[ . 1 . 2 ]" 1
755 1 54 THR MG 1 105 VAL MG1 3.000 . 6.300 2.772 1.802 4.158 . 0 0 "[ . 1 . 2 ]" 1
756 1 54 THR MG 1 105 VAL MG2 3.000 . 6.300 3.038 1.816 4.272 . 0 0 "[ . 1 . 2 ]" 1
757 1 54 THR MG 1 105 VAL HB 3.000 . 4.800 3.272 2.467 3.885 . 0 0 "[ . 1 . 2 ]" 1
758 1 55 VAL HB 1 116 PHE QD 4.000 . 7.000 5.654 5.037 6.308 . 0 0 "[ . 1 . 2 ]" 1
759 1 55 VAL QG 1 116 PHE QD 3.000 . 7.700 4.081 3.436 4.637 . 0 0 "[ . 1 . 2 ]" 1
760 1 55 VAL HA 1 105 VAL QG 4.000 . 7.400 4.334 3.336 5.148 . 0 0 "[ . 1 . 2 ]" 1
761 1 55 VAL QG 1 105 VAL HB 3.000 . 5.700 3.510 3.222 3.754 . 0 0 "[ . 1 . 2 ]" 1
762 1 56 LEU QD 1 116 PHE HZ 2.500 . 5.100 3.094 2.649 3.707 . 0 0 "[ . 1 . 2 ]" 1
763 1 56 LEU QD 1 116 PHE QD 4.000 . 9.400 4.447 3.422 5.198 . 0 0 "[ . 1 . 2 ]" 1
764 1 56 LEU QD 1 113 LEU MD1 4.000 . 8.900 4.300 3.097 5.431 . 0 0 "[ . 1 . 2 ]" 1
765 1 56 LEU QD 1 113 LEU MD2 4.000 . 8.900 4.827 3.882 5.417 . 0 0 "[ . 1 . 2 ]" 1
766 1 56 LEU QD 1 91 ASP HA 4.000 . 7.400 3.271 2.435 4.528 . 0 0 "[ . 1 . 2 ]" 1
767 1 56 LEU QD 1 90 LEU HG 3.000 . 5.700 3.675 2.942 4.135 . 0 0 "[ . 1 . 2 ]" 1
768 1 56 LEU QD 1 90 LEU QB 3.000 . 6.700 2.756 1.882 3.540 . 0 0 "[ . 1 . 2 ]" 1
769 1 59 PHE QD 1 87 LEU QD 3.000 . 7.700 2.397 1.834 3.511 . 0 0 "[ . 1 . 2 ]" 1
770 1 59 PHE QD 1 113 LEU MD1 3.000 . 6.800 3.239 1.984 4.611 . 0 0 "[ . 1 . 2 ]" 1
771 1 59 PHE QD 1 113 LEU MD2 3.000 . 6.700 3.511 1.981 4.772 . 0 0 "[ . 1 . 2 ]" 1
772 1 59 PHE QD 1 87 LEU QB 4.000 . 8.000 4.025 2.919 5.166 . 0 0 "[ . 1 . 2 ]" 1
773 1 60 TYR QD 1 88 LYS HA 3.000 . 5.300 4.338 3.736 4.762 . 0 0 "[ . 1 . 2 ]" 1
774 1 60 TYR QD 1 88 LYS QE 3.000 . 6.300 3.733 2.189 5.003 . 0 0 "[ . 1 . 2 ]" 1
775 1 60 TYR QD 1 88 LYS QB 3.000 . 6.300 4.687 2.737 5.144 . 0 0 "[ . 1 . 2 ]" 1
776 1 60 TYR QD 1 91 ASP QB 4.000 . 8.000 4.442 3.504 5.088 . 0 0 "[ . 1 . 2 ]" 1
777 1 60 TYR QE 1 91 ASP QB 3.000 . 6.300 4.415 2.732 5.287 . 0 0 "[ . 1 . 2 ]" 1
778 1 60 TYR QE 1 88 LYS QE 4.000 . 8.000 3.077 1.969 4.576 . 0 0 "[ . 1 . 2 ]" 1
779 1 60 TYR QE 1 88 LYS HA 3.000 . 5.300 4.472 3.570 4.942 . 0 0 "[ . 1 . 2 ]" 1
780 1 60 TYR QD 1 87 LEU QB 3.000 . 6.300 3.669 2.173 5.191 . 0 0 "[ . 1 . 2 ]" 1
781 1 60 TYR QD 1 84 ILE MG 3.000 . 6.800 2.439 1.875 3.164 . 0 0 "[ . 1 . 2 ]" 1
782 1 60 TYR QD 1 87 LEU QD 4.000 . 9.400 2.895 1.811 3.703 . 0 0 "[ . 1 . 2 ]" 1
783 1 60 TYR HA 1 87 LEU QB 4.000 . 6.000 4.136 3.663 4.644 . 0 0 "[ . 1 . 2 ]" 1
784 1 60 TYR HA 1 87 LEU QD 3.000 . 5.700 3.156 1.917 4.356 . 0 0 "[ . 1 . 2 ]" 1
785 1 60 TYR HA 1 84 ILE MG 4.000 . 6.500 3.543 1.923 4.545 . 0 0 "[ . 1 . 2 ]" 1
786 1 60 TYR HA 1 84 ILE MD 3.000 . 4.800 3.082 2.547 3.840 . 0 0 "[ . 1 . 2 ]" 1
787 1 60 TYR QB 1 87 LEU QD 3.000 . 6.700 1.962 1.651 2.678 . 0 0 "[ . 1 . 2 ]" 1
788 1 60 TYR QB 1 84 ILE MG 4.000 . 7.500 2.814 1.902 4.450 . 0 0 "[ . 1 . 2 ]" 1
789 1 60 TYR QB 1 84 ILE MD 4.000 . 7.500 3.314 2.212 4.876 . 0 0 "[ . 1 . 2 ]" 1
790 1 64 GLU QB 1 80 HIS HE1 4.000 . 6.000 4.736 3.957 5.324 . 0 0 "[ . 1 . 2 ]" 1
791 1 64 GLU QG 1 80 HIS HE1 4.000 . 6.000 5.210 4.789 5.430 . 0 0 "[ . 1 . 2 ]" 1
792 1 64 GLU HA 1 84 ILE QG 3.000 . 4.300 3.128 2.037 3.762 . 0 0 "[ . 1 . 2 ]" 1
793 1 64 GLU HA 1 84 ILE MG 3.000 . 4.800 3.698 2.548 3.982 . 0 0 "[ . 1 . 2 ]" 1
794 1 64 GLU HA 1 84 ILE MD 3.000 . 4.800 2.214 1.888 3.311 . 0 0 "[ . 1 . 2 ]" 1
795 1 64 GLU HB3 1 84 ILE QG 4.000 . 6.000 4.265 2.553 5.183 . 0 0 "[ . 1 . 2 ]" 1
796 1 64 GLU HB3 1 84 ILE MG 3.000 . 4.800 3.442 2.155 3.905 . 0 0 "[ . 1 . 2 ]" 1
797 1 64 GLU HB2 1 84 ILE QG 4.000 . 6.000 2.956 1.871 3.961 . 0 0 "[ . 1 . 2 ]" 1
798 1 64 GLU HB2 1 84 ILE MG 3.000 . 4.800 2.260 1.948 2.697 . 0 0 "[ . 1 . 2 ]" 1
799 1 64 GLU QB 1 83 LEU QD 4.000 . 8.400 5.037 4.818 5.441 . 0 0 "[ . 1 . 2 ]" 1
800 1 64 GLU QG 1 84 ILE QG 3.000 . 5.300 2.750 1.969 4.062 . 0 0 "[ . 1 . 2 ]" 1
801 1 64 GLU QG 1 84 ILE MG 3.000 . 5.800 2.717 1.935 3.934 . 0 0 "[ . 1 . 2 ]" 1
802 1 69 CYS QB 1 80 HIS HE1 3.000 . 4.300 3.309 2.469 3.909 . 0 0 "[ . 1 . 2 ]" 1
803 1 70 LEU HA 1 77 PHE HA 4.000 . 5.000 4.420 3.713 5.121 0.121 18 0 "[ . 1 . 2 ]" 1
804 1 70 LEU HA 1 80 HIS QB 4.000 . 6.000 3.719 2.975 4.505 . 0 0 "[ . 1 . 2 ]" 1
805 1 70 LEU QD 1 77 PHE HA 3.000 . 5.700 2.785 1.922 3.579 . 0 0 "[ . 1 . 2 ]" 1
806 1 70 LEU QD 1 80 HIS QB 3.000 . 6.700 2.944 2.235 3.786 . 0 0 "[ . 1 . 2 ]" 1
807 1 70 LEU QD 1 80 HIS HD2 3.000 . 5.700 2.687 1.875 3.707 . 0 0 "[ . 1 . 2 ]" 1
808 1 70 LEU HA 1 80 HIS HD2 4.000 . 5.000 3.652 2.134 5.007 0.007 13 0 "[ . 1 . 2 ]" 1
809 1 94 LEU QD 1 124 MET ME 4.000 . 8.900 2.608 1.939 3.476 . 0 0 "[ . 1 . 2 ]" 1
810 1 95 TRP HZ2 1 101 ASN HA 4.000 . 5.000 4.548 2.182 5.246 0.246 7 0 "[ . 1 . 2 ]" 1
811 1 95 TRP HH2 1 101 ASN HA 4.000 . 5.000 3.691 2.232 5.127 0.127 17 0 "[ . 1 . 2 ]" 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 98
_Distance_constraint_stats_list.Viol_count 512
_Distance_constraint_stats_list.Viol_total 532.448
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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 9 ILE 0.540 0.122 5 0 "[ . 1 . 2 ]"
1 10 THR 0.059 0.035 18 0 "[ . 1 . 2 ]"
1 11 LEU 0.013 0.007 21 0 "[ . 1 . 2 ]"
1 12 GLN 0.969 0.108 12 0 "[ . 1 . 2 ]"
1 13 GLU 0.788 0.122 5 0 "[ . 1 . 2 ]"
1 14 ILE 0.071 0.035 18 0 "[ . 1 . 2 ]"
1 15 ILE 0.798 0.100 8 0 "[ . 1 . 2 ]"
1 16 LYS 1.428 0.108 12 0 "[ . 1 . 2 ]"
1 17 THR 1.210 0.173 12 0 "[ . 1 . 2 ]"
1 18 LEU 0.012 0.012 1 0 "[ . 1 . 2 ]"
1 19 ASN 0.784 0.100 8 0 "[ . 1 . 2 ]"
1 20 SER 0.458 0.076 10 0 "[ . 1 . 2 ]"
1 21 LEU 0.963 0.173 12 0 "[ . 1 . 2 ]"
1 33 VAL 1.118 0.310 18 0 "[ . 1 . 2 ]"
1 45 GLU 0.130 0.072 14 0 "[ . 1 . 2 ]"
1 46 LYS 1.923 0.116 6 0 "[ . 1 . 2 ]"
1 47 GLU 0.334 0.105 21 0 "[ . 1 . 2 ]"
1 48 THR 0.318 0.057 15 0 "[ . 1 . 2 ]"
1 49 PHE 0.130 0.072 14 0 "[ . 1 . 2 ]"
1 50 CYS 2.673 0.136 17 0 "[ . 1 . 2 ]"
1 51 ARG 1.906 0.105 21 0 "[ . 1 . 2 ]"
1 52 ALA 0.318 0.057 15 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 THR 2.933 0.163 22 0 "[ . 1 . 2 ]"
1 55 VAL 2.720 0.159 17 0 "[ . 1 . 2 ]"
1 56 LEU 0.374 0.156 18 0 "[ . 1 . 2 ]"
1 57 ARG 0.148 0.075 1 0 "[ . 1 . 2 ]"
1 58 GLN 2.183 0.163 22 0 "[ . 1 . 2 ]"
1 59 PHE 1.148 0.159 17 0 "[ . 1 . 2 ]"
1 60 TYR 0.374 0.156 18 0 "[ . 1 . 2 ]"
1 61 SER 0.148 0.075 1 0 "[ . 1 . 2 ]"
1 75 GLN 0.447 0.080 14 0 "[ . 1 . 2 ]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 PHE 0.249 0.084 13 0 "[ . 1 . 2 ]"
1 79 ARG 0.447 0.080 14 0 "[ . 1 . 2 ]"
1 80 HIS 0.690 0.203 13 0 "[ . 1 . 2 ]"
1 81 LYS 0.249 0.084 13 0 "[ . 1 . 2 ]"
1 82 GLN 0.131 0.046 2 0 "[ . 1 . 2 ]"
1 83 LEU 0.354 0.081 15 0 "[ . 1 . 2 ]"
1 84 ILE 0.912 0.203 13 0 "[ . 1 . 2 ]"
1 85 ARG 1.023 0.118 12 0 "[ . 1 . 2 ]"
1 86 PHE 0.458 0.051 7 0 "[ . 1 . 2 ]"
1 87 LEU 0.505 0.081 15 0 "[ . 1 . 2 ]"
1 88 LYS 0.222 0.075 15 0 "[ . 1 . 2 ]"
1 89 ARG 1.781 0.118 12 0 "[ . 1 . 2 ]"
1 90 LEU 0.667 0.105 20 0 "[ . 1 . 2 ]"
1 91 ASP 0.152 0.057 13 0 "[ . 1 . 2 ]"
1 92 ARG 0.340 0.079 8 0 "[ . 1 . 2 ]"
1 93 ASN 0.758 0.104 14 0 "[ . 1 . 2 ]"
1 94 LEU 0.339 0.105 20 0 "[ . 1 . 2 ]"
1 96 GLY 0.340 0.079 8 0 "[ . 1 . 2 ]"
1 111 SER 1.118 0.310 18 0 "[ . 1 . 2 ]"
1 113 LEU 0.067 0.067 15 0 "[ . 1 . 2 ]"
1 114 GLU 1.219 0.120 12 0 "[ . 1 . 2 ]"
1 115 ASN 0.076 0.076 21 0 "[ . 1 . 2 ]"
1 116 PHE 1.161 0.163 13 0 "[ . 1 . 2 ]"
1 117 LEU 0.138 0.067 15 0 "[ . 1 . 2 ]"
1 118 GLU 1.850 0.120 12 0 "[ . 1 . 2 ]"
1 119 ARG 0.076 0.076 21 0 "[ . 1 . 2 ]"
1 120 LEU 1.352 0.163 13 0 "[ . 1 . 2 ]"
1 121 LYS 0.210 0.059 3 0 "[ . 1 . 2 ]"
1 122 THR 0.809 0.087 11 0 "[ . 1 . 2 ]"
1 123 ILE 0.212 0.054 12 0 "[ . 1 . 2 ]"
1 124 MET 1.369 0.191 16 0 "[ . 1 . 2 ]"
1 125 ARG 0.140 0.059 3 0 "[ . 1 . 2 ]"
1 126 GLU 0.177 0.069 19 0 "[ . 1 . 2 ]"
1 127 LYS 0.212 0.054 12 0 "[ . 1 . 2 ]"
1 128 TYR 1.178 0.191 16 0 "[ . 1 . 2 ]"
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 9 ILE O 1 13 GLU H 1.800 . 2.300 2.284 2.191 2.422 0.122 5 0 "[ . 1 . 2 ]" 2
2 1 9 ILE O 1 13 GLU N 2.800 2.400 3.300 3.221 3.110 3.345 0.045 5 0 "[ . 1 . 2 ]" 2
3 1 10 THR O 1 14 ILE H 1.800 . 2.300 2.246 2.193 2.335 0.035 18 0 "[ . 1 . 2 ]" 2
4 1 10 THR O 1 14 ILE N 2.800 2.400 3.300 3.087 2.927 3.219 . 0 0 "[ . 1 . 2 ]" 2
5 1 11 LEU O 1 15 ILE H 1.800 . 2.300 2.250 2.183 2.307 0.007 21 0 "[ . 1 . 2 ]" 2
6 1 11 LEU O 1 15 ILE N 2.800 2.400 3.300 3.032 2.880 3.169 . 0 0 "[ . 1 . 2 ]" 2
7 1 12 GLN O 1 16 LYS H 1.800 . 2.300 2.325 2.223 2.408 0.108 12 0 "[ . 1 . 2 ]" 2
8 1 12 GLN O 1 16 LYS N 2.800 2.400 3.300 3.272 3.161 3.350 0.050 12 0 "[ . 1 . 2 ]" 2
9 1 13 GLU O 1 17 THR H 1.800 . 2.300 2.273 2.211 2.350 0.050 5 0 "[ . 1 . 2 ]" 2
10 1 13 GLU O 1 17 THR N 2.800 2.400 3.300 3.211 3.091 3.312 0.012 16 0 "[ . 1 . 2 ]" 2
11 1 14 ILE O 1 18 LEU H 1.800 . 2.300 2.238 2.183 2.312 0.012 1 0 "[ . 1 . 2 ]" 2
12 1 14 ILE O 1 18 LEU N 2.800 2.400 3.300 3.098 3.015 3.199 . 0 0 "[ . 1 . 2 ]" 2
13 1 15 ILE O 1 19 ASN H 1.800 . 2.300 2.314 2.229 2.400 0.100 8 0 "[ . 1 . 2 ]" 2
14 1 15 ILE O 1 19 ASN N 2.800 2.400 3.300 3.218 3.021 3.354 0.054 8 0 "[ . 1 . 2 ]" 2
15 1 16 LYS O 1 20 SER H 1.800 . 2.300 2.308 2.241 2.376 0.076 10 0 "[ . 1 . 2 ]" 2
16 1 16 LYS O 1 20 SER N 2.800 2.400 3.300 3.151 3.022 3.259 . 0 0 "[ . 1 . 2 ]" 2
17 1 17 THR O 1 21 LEU H 1.800 . 2.300 2.329 2.225 2.473 0.173 12 0 "[ . 1 . 2 ]" 2
18 1 17 THR O 1 21 LEU N 2.800 2.400 3.300 3.210 3.047 3.317 0.017 21 0 "[ . 1 . 2 ]" 2
19 1 33 VAL O 1 111 SER N 2.800 2.400 3.300 3.012 2.726 3.417 0.117 19 0 "[ . 1 . 2 ]" 2
20 1 33 VAL O 1 111 SER H 1.800 . 2.300 2.302 2.202 2.610 0.310 18 0 "[ . 1 . 2 ]" 2
21 1 45 GLU O 1 49 PHE H 1.800 . 2.300 2.254 2.159 2.372 0.072 14 0 "[ . 1 . 2 ]" 2
22 1 45 GLU O 1 49 PHE N 2.800 2.400 3.300 3.025 2.838 3.231 . 0 0 "[ . 1 . 2 ]" 2
23 1 46 LYS O 1 50 CYS H 1.800 . 2.300 2.375 2.289 2.416 0.116 6 0 "[ . 1 . 2 ]" 2
24 1 46 LYS O 1 50 CYS N 2.800 2.400 3.300 3.271 3.133 3.353 0.053 13 0 "[ . 1 . 2 ]" 2
25 1 47 GLU O 1 51 ARG H 1.800 . 2.300 2.269 2.188 2.405 0.105 21 0 "[ . 1 . 2 ]" 2
26 1 47 GLU O 1 51 ARG N 2.800 2.400 3.300 3.212 3.064 3.312 0.012 2 0 "[ . 1 . 2 ]" 2
27 1 48 THR O 1 52 ALA H 1.800 . 2.300 2.282 2.211 2.357 0.057 15 0 "[ . 1 . 2 ]" 2
28 1 48 THR O 1 52 ALA N 2.800 2.400 3.300 3.208 3.129 3.312 0.012 7 0 "[ . 1 . 2 ]" 2
29 1 49 PHE O 1 53 ALA H 1.800 . 2.300 2.230 2.167 2.289 . 0 0 "[ . 1 . 2 ]" 2
30 1 49 PHE O 1 53 ALA N 2.800 2.400 3.300 2.890 2.725 3.067 . 0 0 "[ . 1 . 2 ]" 2
31 1 50 CYS O 1 54 THR H 1.800 . 2.300 2.299 2.203 2.436 0.136 17 0 "[ . 1 . 2 ]" 2
32 1 50 CYS O 1 54 THR N 2.800 2.400 3.300 3.145 2.994 3.313 0.013 16 0 "[ . 1 . 2 ]" 2
33 1 51 ARG O 1 55 VAL H 1.800 . 2.300 2.344 2.242 2.404 0.104 10 0 "[ . 1 . 2 ]" 2
34 1 51 ARG O 1 55 VAL N 2.800 2.400 3.300 3.306 3.212 3.360 0.060 10 0 "[ . 1 . 2 ]" 2
35 1 52 ALA O 1 56 LEU H 1.800 . 2.300 2.218 2.191 2.240 . 0 0 "[ . 1 . 2 ]" 2
36 1 52 ALA O 1 56 LEU N 2.800 2.400 3.300 3.012 2.905 3.117 . 0 0 "[ . 1 . 2 ]" 2
37 1 53 ALA O 1 57 ARG H 1.800 . 2.300 2.219 2.168 2.261 . 0 0 "[ . 1 . 2 ]" 2
38 1 53 ALA O 1 57 ARG N 2.800 2.400 3.300 3.002 2.901 3.099 . 0 0 "[ . 1 . 2 ]" 2
39 1 54 THR O 1 58 GLN H 1.800 . 2.300 2.380 2.316 2.463 0.163 22 0 "[ . 1 . 2 ]" 2
40 1 54 THR O 1 58 GLN N 2.800 2.400 3.300 3.298 3.172 3.396 0.096 22 0 "[ . 1 . 2 ]" 2
41 1 55 VAL O 1 59 PHE H 1.800 . 2.300 2.347 2.240 2.459 0.159 17 0 "[ . 1 . 2 ]" 2
42 1 55 VAL O 1 59 PHE N 2.800 2.400 3.300 3.160 3.022 3.298 . 0 0 "[ . 1 . 2 ]" 2
43 1 56 LEU O 1 60 TYR H 1.800 . 2.300 2.265 2.197 2.456 0.156 18 0 "[ . 1 . 2 ]" 2
44 1 56 LEU O 1 60 TYR N 2.800 2.400 3.300 3.133 2.782 3.361 0.061 18 0 "[ . 1 . 2 ]" 2
45 1 57 ARG O 1 61 SER H 1.800 . 2.300 2.262 2.211 2.375 0.075 1 0 "[ . 1 . 2 ]" 2
46 1 57 ARG O 1 61 SER N 2.800 2.400 3.300 2.937 2.744 3.219 . 0 0 "[ . 1 . 2 ]" 2
47 1 75 GLN O 1 79 ARG H 1.800 . 2.300 2.295 2.236 2.380 0.080 14 0 "[ . 1 . 2 ]" 2
48 1 75 GLN O 1 79 ARG N 2.800 2.400 3.300 3.241 3.114 3.333 0.033 18 0 "[ . 1 . 2 ]" 2
49 1 76 GLN O 1 80 HIS H 1.800 . 2.300 2.242 2.207 2.268 . 0 0 "[ . 1 . 2 ]" 2
50 1 76 GLN O 1 80 HIS N 2.800 2.400 3.300 3.014 2.810 3.179 . 0 0 "[ . 1 . 2 ]" 2
51 1 77 PHE O 1 81 LYS H 1.800 . 2.300 2.286 2.220 2.384 0.084 13 0 "[ . 1 . 2 ]" 2
52 1 77 PHE O 1 81 LYS N 2.800 2.400 3.300 3.168 2.973 3.294 . 0 0 "[ . 1 . 2 ]" 2
53 1 80 HIS O 1 84 ILE H 1.800 . 2.300 2.301 2.204 2.503 0.203 13 0 "[ . 1 . 2 ]" 2
54 1 80 HIS O 1 84 ILE N 2.800 2.400 3.300 3.226 3.143 3.358 0.058 13 0 "[ . 1 . 2 ]" 2
55 1 82 GLN O 1 86 PHE H 1.800 . 2.300 2.259 2.211 2.346 0.046 2 0 "[ . 1 . 2 ]" 2
56 1 82 GLN O 1 86 PHE N 2.800 2.400 3.300 3.200 3.116 3.289 . 0 0 "[ . 1 . 2 ]" 2
57 1 83 LEU O 1 87 LEU H 1.800 . 2.300 2.286 2.217 2.381 0.081 15 0 "[ . 1 . 2 ]" 2
58 1 83 LEU O 1 87 LEU N 2.800 2.400 3.300 3.179 3.086 3.275 . 0 0 "[ . 1 . 2 ]" 2
59 1 84 ILE O 1 88 LYS H 1.800 . 2.300 2.251 2.189 2.375 0.075 15 0 "[ . 1 . 2 ]" 2
60 1 84 ILE O 1 88 LYS N 2.800 2.400 3.300 3.149 2.881 3.316 0.016 15 0 "[ . 1 . 2 ]" 2
61 1 85 ARG O 1 89 ARG H 1.800 . 2.300 2.340 2.242 2.418 0.118 12 0 "[ . 1 . 2 ]" 2
62 1 85 ARG O 1 89 ARG N 2.800 2.400 3.300 3.257 3.105 3.322 0.022 16 0 "[ . 1 . 2 ]" 2
63 1 86 PHE O 1 90 LEU H 1.800 . 2.300 2.271 2.185 2.351 0.051 7 0 "[ . 1 . 2 ]" 2
64 1 86 PHE O 1 90 LEU N 2.800 2.400 3.300 3.217 3.098 3.326 0.026 10 0 "[ . 1 . 2 ]" 2
65 1 87 LEU O 1 91 ASP H 1.800 . 2.300 2.266 2.194 2.357 0.057 13 0 "[ . 1 . 2 ]" 2
66 1 87 LEU O 1 91 ASP N 2.800 2.400 3.300 2.924 2.755 3.085 . 0 0 "[ . 1 . 2 ]" 2
67 1 89 ARG O 1 93 ASN H 1.800 . 2.300 2.320 2.216 2.404 0.104 14 0 "[ . 1 . 2 ]" 2
68 1 89 ARG O 1 93 ASN N 2.800 2.400 3.300 3.196 2.985 3.330 0.030 11 0 "[ . 1 . 2 ]" 2
69 1 90 LEU O 1 94 LEU H 1.800 . 2.300 2.269 2.209 2.405 0.105 20 0 "[ . 1 . 2 ]" 2
70 1 90 LEU O 1 94 LEU N 2.800 2.400 3.300 3.099 2.802 3.307 0.007 22 0 "[ . 1 . 2 ]" 2
71 1 92 ARG O 1 96 GLY H 1.800 . 2.300 2.288 2.205 2.379 0.079 8 0 "[ . 1 . 2 ]" 2
72 1 92 ARG O 1 96 GLY N 2.800 2.400 3.300 2.904 2.803 3.034 . 0 0 "[ . 1 . 2 ]" 2
73 1 33 VAL N 1 111 SER O 2.800 2.400 3.300 3.035 2.569 3.191 . 0 0 "[ . 1 . 2 ]" 2
74 1 33 VAL H 1 111 SER O 1.800 . 2.300 2.206 2.142 2.240 . 0 0 "[ . 1 . 2 ]" 2
75 1 113 LEU O 1 117 LEU H 1.800 . 2.300 2.214 2.169 2.367 0.067 15 0 "[ . 1 . 2 ]" 2
76 1 113 LEU O 1 117 LEU N 2.800 2.400 3.300 3.132 3.020 3.193 . 0 0 "[ . 1 . 2 ]" 2
77 1 114 GLU O 1 118 GLU H 1.800 . 2.300 2.344 2.201 2.420 0.120 12 0 "[ . 1 . 2 ]" 2
78 1 114 GLU O 1 118 GLU N 2.800 2.400 3.300 3.211 3.017 3.293 . 0 0 "[ . 1 . 2 ]" 2
79 1 115 ASN O 1 119 ARG H 1.800 . 2.300 2.227 2.198 2.376 0.076 21 0 "[ . 1 . 2 ]" 2
80 1 115 ASN O 1 119 ARG N 2.800 2.400 3.300 3.162 2.977 3.293 . 0 0 "[ . 1 . 2 ]" 2
81 1 116 PHE O 1 120 LEU H 1.800 . 2.300 2.342 2.221 2.463 0.163 13 0 "[ . 1 . 2 ]" 2
82 1 116 PHE O 1 120 LEU N 2.800 2.400 3.300 3.071 2.888 3.208 . 0 0 "[ . 1 . 2 ]" 2
83 1 117 LEU O 1 121 LYS H 1.800 . 2.300 2.239 2.197 2.350 0.050 13 0 "[ . 1 . 2 ]" 2
84 1 117 LEU O 1 121 LYS N 2.800 2.400 3.300 3.164 3.048 3.293 . 0 0 "[ . 1 . 2 ]" 2
85 1 118 GLU O 1 122 THR H 1.800 . 2.300 2.307 2.211 2.387 0.087 11 0 "[ . 1 . 2 ]" 2
86 1 118 GLU O 1 122 THR N 2.800 2.400 3.300 3.246 3.138 3.323 0.023 12 0 "[ . 1 . 2 ]" 2
87 1 119 ARG O 1 123 ILE H 1.800 . 2.300 2.200 2.168 2.240 . 0 0 "[ . 1 . 2 ]" 2
88 1 119 ARG O 1 123 ILE N 2.800 2.400 3.300 3.110 3.060 3.157 . 0 0 "[ . 1 . 2 ]" 2
89 1 120 LEU O 1 124 MET H 1.800 . 2.300 2.267 2.191 2.357 0.057 7 0 "[ . 1 . 2 ]" 2
90 1 120 LEU O 1 124 MET N 2.800 2.400 3.300 3.149 2.977 3.270 . 0 0 "[ . 1 . 2 ]" 2
91 1 121 LYS O 1 125 ARG H 1.800 . 2.300 2.248 2.168 2.359 0.059 3 0 "[ . 1 . 2 ]" 2
92 1 121 LYS O 1 125 ARG N 2.800 2.400 3.300 3.154 2.979 3.297 . 0 0 "[ . 1 . 2 ]" 2
93 1 122 THR O 1 126 GLU H 1.800 . 2.300 2.267 2.204 2.369 0.069 19 0 "[ . 1 . 2 ]" 2
94 1 122 THR O 1 126 GLU N 2.800 2.400 3.300 3.066 2.799 3.272 . 0 0 "[ . 1 . 2 ]" 2
95 1 123 ILE O 1 127 LYS H 1.800 . 2.300 2.258 2.191 2.354 0.054 12 0 "[ . 1 . 2 ]" 2
96 1 123 ILE O 1 127 LYS N 2.800 2.400 3.300 3.141 2.862 3.307 0.007 14 0 "[ . 1 . 2 ]" 2
97 1 124 MET O 1 128 TYR H 1.800 . 2.300 2.305 2.183 2.491 0.191 16 0 "[ . 1 . 2 ]" 2
98 1 124 MET O 1 128 TYR N 2.800 2.400 3.300 3.116 2.843 3.340 0.040 16 0 "[ . 1 . 2 ]" 2
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