NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511458 |
2ld1   |
15001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ld1
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 1127
_Distance_constraint_stats_list.Viol_count 7831
_Distance_constraint_stats_list.Viol_total 12841.522
_Distance_constraint_stats_list.Viol_max 0.335
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0482
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 2 ALA 0.320 0.109 8 0 "[ . 1 . 2 . 3 ]"
1 3 MET 0.646 0.111 15 0 "[ . 1 . 2 . 3 ]"
1 4 ALA 0.326 0.111 15 0 "[ . 1 . 2 . 3 ]"
1 6 LYS 0.744 0.109 11 0 "[ . 1 . 2 . 3 ]"
1 7 ARG 1.501 0.110 21 0 "[ . 1 . 2 . 3 ]"
1 8 GLY 0.743 0.110 21 0 "[ . 1 . 2 . 3 ]"
1 9 ASP 0.014 0.006 27 0 "[ . 1 . 2 . 3 ]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 11 LEU 0.571 0.110 3 0 "[ . 1 . 2 . 3 ]"
1 12 HIS 1.000 0.111 9 0 "[ . 1 . 2 . 3 ]"
1 13 GLY 0.429 0.111 9 0 "[ . 1 . 2 . 3 ]"
1 14 ILE 2.846 0.099 3 0 "[ . 1 . 2 . 3 ]"
1 15 VAL 2.015 0.099 3 0 "[ . 1 . 2 . 3 ]"
1 16 SER 2.479 0.133 20 0 "[ . 1 . 2 . 3 ]"
1 17 CYS 5.610 0.133 20 0 "[ . 1 . 2 . 3 ]"
1 18 THR 1.216 0.131 13 0 "[ . 1 . 2 . 3 ]"
1 19 ALA 9.983 0.121 19 0 "[ . 1 . 2 . 3 ]"
1 20 CYS 12.036 0.103 12 0 "[ . 1 . 2 . 3 ]"
1 21 GLY 2.805 0.086 31 0 "[ . 1 . 2 . 3 ]"
1 22 GLN 4.111 0.094 27 0 "[ . 1 . 2 . 3 ]"
1 23 GLN 6.835 0.094 27 0 "[ . 1 . 2 . 3 ]"
1 24 VAL 4.861 0.117 32 0 "[ . 1 . 2 . 3 ]"
1 25 ASN 0.016 0.006 9 0 "[ . 1 . 2 . 3 ]"
1 27 PHE 2.986 0.082 34 0 "[ . 1 . 2 . 3 ]"
1 28 GLN 2.558 0.084 15 0 "[ . 1 . 2 . 3 ]"
1 29 LYS 2.750 0.068 22 0 "[ . 1 . 2 . 3 ]"
1 30 ASP 5.428 0.096 7 0 "[ . 1 . 2 . 3 ]"
1 31 SER 2.748 0.096 7 0 "[ . 1 . 2 . 3 ]"
1 32 ILE 15.101 0.117 32 0 "[ . 1 . 2 . 3 ]"
1 33 TYR 17.082 0.211 24 0 "[ . 1 . 2 . 3 ]"
1 34 ARG 9.640 0.210 27 0 "[ . 1 . 2 . 3 ]"
1 35 HIS 10.159 0.124 33 0 "[ . 1 . 2 . 3 ]"
1 36 PRO 3.531 0.095 28 0 "[ . 1 . 2 . 3 ]"
1 37 SER 3.829 0.093 33 0 "[ . 1 . 2 . 3 ]"
1 38 LEU 17.013 0.241 28 0 "[ . 1 . 2 . 3 ]"
1 39 GLN 3.567 0.102 31 0 "[ . 1 . 2 . 3 ]"
1 40 VAL 9.485 0.210 34 0 "[ . 1 . 2 . 3 ]"
1 41 LEU 5.882 0.210 34 0 "[ . 1 . 2 . 3 ]"
1 42 ILE 6.009 0.083 28 0 "[ . 1 . 2 . 3 ]"
1 43 CYS 4.436 0.097 7 0 "[ . 1 . 2 . 3 ]"
1 44 LYS 7.186 0.211 24 0 "[ . 1 . 2 . 3 ]"
1 45 ASN 7.971 0.127 22 0 "[ . 1 . 2 . 3 ]"
1 46 CYS 6.714 0.100 33 0 "[ . 1 . 2 . 3 ]"
1 47 PHE 13.182 0.170 27 0 "[ . 1 . 2 . 3 ]"
1 48 LYS 7.829 0.127 22 0 "[ . 1 . 2 . 3 ]"
1 49 TYR 5.190 0.130 3 0 "[ . 1 . 2 . 3 ]"
1 50 TYR 11.771 0.170 27 0 "[ . 1 . 2 . 3 ]"
1 51 MET 9.553 0.153 18 0 "[ . 1 . 2 . 3 ]"
1 52 SER 12.192 0.153 18 0 "[ . 1 . 2 . 3 ]"
1 53 ASP 4.082 0.081 19 0 "[ . 1 . 2 . 3 ]"
1 54 ASP 2.893 0.101 30 0 "[ . 1 . 2 . 3 ]"
1 55 ILE 7.665 0.137 32 0 "[ . 1 . 2 . 3 ]"
1 56 SER 2.319 0.113 21 0 "[ . 1 . 2 . 3 ]"
1 57 ARG 1.178 0.335 31 0 "[ . 1 . 2 . 3 ]"
1 58 ASP 2.806 0.335 31 0 "[ . 1 . 2 . 3 ]"
1 59 SER 0.574 0.170 30 0 "[ . 1 . 2 . 3 ]"
1 60 ASP 1.462 0.118 31 0 "[ . 1 . 2 . 3 ]"
1 61 GLY 0.302 0.065 13 0 "[ . 1 . 2 . 3 ]"
1 62 MET 1.632 0.118 31 0 "[ . 1 . 2 . 3 ]"
1 63 ASP 1.410 0.137 32 0 "[ . 1 . 2 . 3 ]"
1 64 GLU 3.878 0.100 26 0 "[ . 1 . 2 . 3 ]"
1 65 GLN 2.974 0.100 26 0 "[ . 1 . 2 . 3 ]"
1 66 CYS 8.707 0.136 23 0 "[ . 1 . 2 . 3 ]"
1 67 ARG 0.613 0.075 19 0 "[ . 1 . 2 . 3 ]"
1 68 TRP 16.150 0.241 28 0 "[ . 1 . 2 . 3 ]"
1 69 CYS 0.133 0.078 19 0 "[ . 1 . 2 . 3 ]"
1 70 ALA 9.858 0.116 3 0 "[ . 1 . 2 . 3 ]"
1 71 GLU 7.508 0.116 3 0 "[ . 1 . 2 . 3 ]"
1 72 GLY 3.397 0.136 23 0 "[ . 1 . 2 . 3 ]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 74 ASN 1.273 0.068 34 0 "[ . 1 . 2 . 3 ]"
1 75 LEU 4.513 0.119 14 0 "[ . 1 . 2 . 3 ]"
1 76 ILE 9.149 0.119 34 0 "[ . 1 . 2 . 3 ]"
1 77 CYS 6.950 0.119 23 0 "[ . 1 . 2 . 3 ]"
1 78 CYS 2.082 0.056 31 0 "[ . 1 . 2 . 3 ]"
1 79 ASP 3.356 0.157 23 0 "[ . 1 . 2 . 3 ]"
1 80 PHE 6.407 0.090 4 0 "[ . 1 . 2 . 3 ]"
1 81 CYS 5.295 0.176 30 0 "[ . 1 . 2 . 3 ]"
1 82 HIS 0.410 0.086 15 0 "[ . 1 . 2 . 3 ]"
1 83 ASN 0.032 0.016 4 0 "[ . 1 . 2 . 3 ]"
1 84 ALA 4.783 0.119 23 0 "[ . 1 . 2 . 3 ]"
1 85 PHE 5.710 0.119 34 0 "[ . 1 . 2 . 3 ]"
1 86 CYS 2.537 0.119 14 0 "[ . 1 . 2 . 3 ]"
1 87 LYS 2.648 0.068 34 0 "[ . 1 . 2 . 3 ]"
1 88 LYS 2.030 0.050 6 0 "[ . 1 . 2 . 3 ]"
1 89 CYS 3.871 0.082 15 0 "[ . 1 . 2 . 3 ]"
1 90 ILE 3.331 0.094 9 0 "[ . 1 . 2 . 3 ]"
1 91 LEU 4.947 0.071 29 0 "[ . 1 . 2 . 3 ]"
1 92 ARG 2.767 0.082 15 0 "[ . 1 . 2 . 3 ]"
1 93 ASN 9.673 0.105 12 0 "[ . 1 . 2 . 3 ]"
1 94 LEU 4.155 0.142 12 0 "[ . 1 . 2 . 3 ]"
1 95 GLY 6.945 0.142 12 0 "[ . 1 . 2 . 3 ]"
1 96 ARG 3.718 0.071 19 0 "[ . 1 . 2 . 3 ]"
1 97 LYS 8.831 0.108 25 0 "[ . 1 . 2 . 3 ]"
1 98 GLU 4.112 0.100 19 0 "[ . 1 . 2 . 3 ]"
1 99 LEU 6.195 0.066 12 0 "[ . 1 . 2 . 3 ]"
1 100 SER 8.152 0.134 26 0 "[ . 1 . 2 . 3 ]"
1 101 THR 4.739 0.075 33 0 "[ . 1 . 2 . 3 ]"
1 102 ILE 11.794 0.161 33 0 "[ . 1 . 2 . 3 ]"
1 103 MET 10.907 0.134 26 0 "[ . 1 . 2 . 3 ]"
1 104 ASP 4.174 0.311 29 0 "[ . 1 . 2 . 3 ]"
1 105 GLU 3.869 0.311 29 0 "[ . 1 . 2 . 3 ]"
1 106 ASN 1.827 0.108 29 0 "[ . 1 . 2 . 3 ]"
1 107 ASN 3.275 0.139 12 0 "[ . 1 . 2 . 3 ]"
1 108 GLN 1.976 0.086 8 0 "[ . 1 . 2 . 3 ]"
1 109 TRP 18.204 0.179 17 0 "[ . 1 . 2 . 3 ]"
1 110 TYR 9.764 0.149 17 0 "[ . 1 . 2 . 3 ]"
1 111 CYS 1.764 0.074 29 0 "[ . 1 . 2 . 3 ]"
1 112 TYR 1.623 0.049 6 0 "[ . 1 . 2 . 3 ]"
1 113 ILE 11.915 0.176 30 0 "[ . 1 . 2 . 3 ]"
1 114 CYS 5.401 0.085 25 0 "[ . 1 . 2 . 3 ]"
1 115 HIS 4.622 0.149 17 0 "[ . 1 . 2 . 3 ]"
1 116 PRO 0.005 0.004 15 0 "[ . 1 . 2 . 3 ]"
1 117 GLU 4.226 0.093 16 0 "[ . 1 . 2 . 3 ]"
1 118 PRO 3.812 0.093 16 0 "[ . 1 . 2 . 3 ]"
1 119 LEU 5.660 0.140 22 0 "[ . 1 . 2 . 3 ]"
1 120 LEU 11.499 0.140 22 0 "[ . 1 . 2 . 3 ]"
1 121 ASP 7.878 0.241 5 0 "[ . 1 . 2 . 3 ]"
1 122 LEU 14.834 0.139 12 0 "[ . 1 . 2 . 3 ]"
1 123 VAL 8.437 0.130 28 0 "[ . 1 . 2 . 3 ]"
1 124 THR 5.791 0.241 5 0 "[ . 1 . 2 . 3 ]"
1 125 ALA 5.872 0.139 12 0 "[ . 1 . 2 . 3 ]"
1 126 CYS 4.993 0.186 28 0 "[ . 1 . 2 . 3 ]"
1 127 ASN 7.473 0.154 28 0 "[ . 1 . 2 . 3 ]"
1 128 SER 7.796 0.102 33 0 "[ . 1 . 2 . 3 ]"
1 129 VAL 13.006 0.163 7 0 "[ . 1 . 2 . 3 ]"
1 130 PHE 14.781 0.097 5 0 "[ . 1 . 2 . 3 ]"
1 131 GLU 8.817 0.102 33 0 "[ . 1 . 2 . 3 ]"
1 132 ASN 9.904 0.163 7 0 "[ . 1 . 2 . 3 ]"
1 133 LEU 12.049 0.107 34 0 "[ . 1 . 2 . 3 ]"
1 134 GLU 5.861 0.091 19 0 "[ . 1 . 2 . 3 ]"
1 135 GLN 3.421 0.091 19 0 "[ . 1 . 2 . 3 ]"
1 136 LEU 4.390 0.085 28 0 "[ . 1 . 2 . 3 ]"
1 137 LEU 3.852 0.085 28 0 "[ . 1 . 2 . 3 ]"
1 138 GLN 1.565 0.193 18 0 "[ . 1 . 2 . 3 ]"
1 139 GLN 1.315 0.109 14 0 "[ . 1 . 2 . 3 ]"
1 140 ASN 1.717 0.193 18 0 "[ . 1 . 2 . 3 ]"
1 141 LYS 0.791 0.113 5 0 "[ . 1 . 2 . 3 ]"
1 142 LYS 0.766 0.113 5 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ALA H 5.000 . 5.000 2.324 2.198 2.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 2 ALA HA 1 3 MET H 3.500 . 3.500 2.538 2.254 3.609 0.109 8 0 "[ . 1 . 2 . 3 ]" 1
3 1 2 ALA MB 1 3 MET H 5.000 . 5.000 3.125 2.120 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 3 MET HA 1 4 ALA H 3.500 . 3.500 2.517 2.254 3.611 0.111 15 0 "[ . 1 . 2 . 3 ]" 1
5 1 3 MET QB 1 4 ALA H 5.000 . 5.000 3.413 2.139 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 6 LYS H 1 6 LYS QG 5.000 . 5.000 3.526 2.604 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 6 LYS HA 1 7 ARG H 3.500 . 3.500 2.699 2.254 3.609 0.109 11 0 "[ . 1 . 2 . 3 ]" 1
8 1 7 ARG H 1 7 ARG QG 5.000 . 5.000 3.610 2.129 4.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 7 ARG HA 1 8 GLY H 3.500 . 3.500 2.681 2.255 3.610 0.110 21 0 "[ . 1 . 2 . 3 ]" 1
10 1 7 ARG QB 1 9 ASP H 5.000 . 5.000 4.358 2.904 5.006 0.006 27 0 "[ . 1 . 2 . 3 ]" 1
11 1 9 ASP H 1 10 GLY H 5.000 . 5.000 3.872 2.531 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 9 ASP HA 1 10 GLY H 3.500 . 3.500 2.484 2.255 2.938 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 9 ASP QB 1 10 GLY H 5.000 . 5.000 3.632 2.274 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 10 GLY H 1 11 LEU H 5.000 . 5.000 3.953 2.586 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 10 GLY QA 1 11 LEU H 3.500 . 3.500 2.351 2.201 2.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 11 LEU H 1 11 LEU QD 5.000 . 5.000 3.502 2.122 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 11 LEU H 1 12 HIS H 3.500 . 3.500 3.035 2.344 3.515 0.015 19 0 "[ . 1 . 2 . 3 ]" 1
18 1 11 LEU HA 1 12 HIS H 3.500 . 3.500 2.822 2.387 3.610 0.110 3 0 "[ . 1 . 2 . 3 ]" 1
19 1 11 LEU QB 1 12 HIS H 5.000 . 5.000 3.719 2.131 4.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 12 HIS HA 1 13 GLY H 3.500 . 3.500 2.634 2.253 3.611 0.111 9 0 "[ . 1 . 2 . 3 ]" 1
21 1 13 GLY H 1 14 ILE H 5.000 . 5.000 3.845 2.388 4.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 13 GLY QA 1 14 ILE H 2.800 . 2.800 2.342 2.187 2.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 14 ILE H 1 15 VAL H 5.000 . 5.000 4.510 4.261 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 14 ILE HA 1 15 VAL H 2.300 . 2.300 2.348 2.271 2.399 0.099 3 0 "[ . 1 . 2 . 3 ]" 1
25 1 14 ILE HB 1 15 VAL H 5.000 . 5.000 3.941 3.767 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 14 ILE MG 1 16 SER H 5.000 . 5.000 4.459 3.880 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 14 ILE MG 1 16 SER QB 5.000 . 5.000 3.496 2.522 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 14 ILE HA 1 23 GLN QE 5.000 . 5.000 4.519 3.162 5.010 0.010 33 0 "[ . 1 . 2 . 3 ]" 1
29 1 14 ILE MG 1 23 GLN H 5.000 . 5.000 5.027 5.007 5.056 0.056 33 0 "[ . 1 . 2 . 3 ]" 1
30 1 14 ILE MG 1 23 GLN QB 3.500 . 3.500 3.437 3.100 3.535 0.035 20 0 "[ . 1 . 2 . 3 ]" 1
31 1 14 ILE MG 1 23 GLN QG 2.800 . 2.800 2.379 1.913 2.809 0.009 25 0 "[ . 1 . 2 . 3 ]" 1
32 1 14 ILE MG 1 23 GLN QE 3.500 . 3.500 2.510 1.918 3.525 0.025 23 0 "[ . 1 . 2 . 3 ]" 1
33 1 15 VAL H 1 15 VAL HB 2.800 . 2.800 2.451 2.420 2.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 15 VAL H 1 15 VAL QG 3.500 . 3.500 2.480 2.069 2.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 15 VAL H 1 16 SER H 5.000 . 5.000 4.514 4.262 4.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 15 VAL HA 1 16 SER H 2.300 . 2.300 2.292 2.257 2.346 0.046 24 0 "[ . 1 . 2 . 3 ]" 1
37 1 15 VAL HB 1 16 SER H 5.000 . 5.000 4.245 4.008 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 15 VAL QG 1 16 SER H 3.500 . 3.500 2.577 2.131 3.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 15 VAL H 1 23 GLN HA 5.000 . 5.000 4.907 4.709 5.056 0.056 28 0 "[ . 1 . 2 . 3 ]" 1
40 1 15 VAL QG 1 24 VAL QG 2.800 . 2.800 2.242 1.871 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 15 VAL QG 1 41 LEU QD 2.800 . 2.800 2.541 2.088 2.803 0.003 15 0 "[ . 1 . 2 . 3 ]" 1
42 1 15 VAL QG 1 129 VAL QG 2.800 . 2.800 1.637 1.535 1.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 16 SER H 1 16 SER QB 3.500 . 3.500 2.853 2.439 3.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 16 SER H 1 17 CYS H 5.000 . 5.000 4.471 4.424 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 16 SER HA 1 17 CYS H 2.300 . 2.300 2.346 2.320 2.433 0.133 20 0 "[ . 1 . 2 . 3 ]" 1
46 1 16 SER QB 1 17 CYS H 3.500 . 3.500 2.962 2.508 3.505 0.005 1 0 "[ . 1 . 2 . 3 ]" 1
47 1 16 SER HA 1 22 GLN H 5.000 . 5.000 4.509 4.406 4.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 16 SER QB 1 22 GLN H 5.000 . 5.000 4.027 3.253 5.004 0.004 33 0 "[ . 1 . 2 . 3 ]" 1
49 1 16 SER H 1 23 GLN HA 5.000 . 5.000 4.481 4.269 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 16 SER HA 1 23 GLN H 5.000 . 5.000 4.239 4.135 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 16 SER HA 1 23 GLN HA 2.300 . 2.300 1.921 1.888 1.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 16 SER HA 1 23 GLN QB 5.000 . 5.000 4.064 3.813 4.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 16 SER QB 1 23 GLN HA 3.500 . 3.500 3.097 2.032 3.505 0.005 33 0 "[ . 1 . 2 . 3 ]" 1
54 1 16 SER H 1 24 VAL H 5.000 . 5.000 4.796 4.243 5.009 0.009 3 0 "[ . 1 . 2 . 3 ]" 1
55 1 16 SER HA 1 24 VAL H 3.500 . 3.500 3.005 2.169 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 16 SER HA 1 24 VAL HB 5.000 . 5.000 4.933 4.004 5.029 0.029 31 0 "[ . 1 . 2 . 3 ]" 1
57 1 16 SER HA 1 24 VAL QG 3.500 . 3.500 2.967 2.083 3.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 16 SER QB 1 24 VAL H 5.000 . 5.000 4.713 3.621 5.011 0.011 17 0 "[ . 1 . 2 . 3 ]" 1
59 1 17 CYS H 1 17 CYS QB 2.800 . 2.800 2.305 2.270 2.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 17 CYS HA 1 18 THR H 2.800 . 2.800 2.281 2.253 2.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 17 CYS HA 1 19 ALA H 5.000 . 5.000 4.186 4.112 4.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 17 CYS HB2 1 20 CYS H 5.000 . 5.000 4.253 4.238 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 17 CYS HB3 1 20 CYS H 2.800 . 2.800 2.857 2.841 2.871 0.071 15 0 "[ . 1 . 2 . 3 ]" 1
64 1 17 CYS H 1 21 GLY H 5.000 . 5.000 4.068 3.967 4.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 17 CYS HB3 1 21 GLY H 3.500 . 3.500 2.943 2.812 3.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 17 CYS H 1 22 GLN H 3.500 . 3.500 2.721 2.638 2.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 17 CYS HB2 1 22 GLN H 5.000 . 5.000 4.236 4.104 4.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 17 CYS HB3 1 22 GLN H 3.500 . 3.500 2.862 2.751 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 17 CYS H 1 23 GLN HA 3.500 . 3.500 3.550 3.523 3.569 0.069 28 0 "[ . 1 . 2 . 3 ]" 1
70 1 17 CYS H 1 24 VAL H 5.000 . 5.000 4.416 4.163 4.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 17 CYS H 1 24 VAL QG 5.000 . 5.000 3.225 2.895 3.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 17 CYS HA 1 24 VAL QG 5.000 . 5.000 3.644 3.473 4.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 17 CYS QB 1 24 VAL QG 5.000 . 5.000 2.452 2.266 3.143 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 17 CYS HA 1 41 LEU QD 3.500 . 3.500 3.333 2.882 3.517 0.017 19 0 "[ . 1 . 2 . 3 ]" 1
75 1 17 CYS HA 1 42 ILE HA 2.800 . 2.800 2.780 2.486 2.836 0.036 3 0 "[ . 1 . 2 . 3 ]" 1
76 1 17 CYS HB2 1 42 ILE HA 5.000 . 5.000 3.834 3.644 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 17 CYS HA 1 43 CYS H 5.000 . 5.000 4.479 4.285 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 18 THR H 1 18 THR MG 3.500 . 3.500 2.078 2.058 2.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 18 THR HA 1 18 THR MG 3.500 . 3.500 3.232 3.226 3.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 18 THR H 1 19 ALA H 3.500 . 3.500 2.504 2.407 2.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 18 THR HA 1 19 ALA H 5.000 . 5.000 3.586 3.583 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 18 THR HB 1 19 ALA H 5.000 . 5.000 3.899 3.878 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 18 THR H 1 20 CYS H 5.000 . 5.000 3.975 3.856 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 18 THR MG 1 38 LEU QD 5.000 . 5.000 3.873 3.558 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 18 THR H 1 40 VAL QG 5.000 . 5.000 4.043 3.774 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 18 THR HB 1 40 VAL QG 3.500 . 3.500 3.258 3.028 3.631 0.131 13 0 "[ . 1 . 2 . 3 ]" 1
87 1 18 THR MG 1 40 VAL HB 5.000 . 5.000 4.191 3.131 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 18 THR MG 1 40 VAL QG 3.500 . 3.500 2.144 1.844 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 18 THR MG 1 41 LEU H 5.000 . 5.000 4.357 4.112 4.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 18 THR H 1 42 ILE HA 3.500 . 3.500 3.073 2.721 3.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 18 THR H 1 42 ILE HB 5.000 . 5.000 4.986 4.647 5.026 0.026 16 0 "[ . 1 . 2 . 3 ]" 1
92 1 18 THR H 1 42 ILE MG 3.500 . 3.500 3.442 3.197 3.524 0.024 12 0 "[ . 1 . 2 . 3 ]" 1
93 1 18 THR MG 1 42 ILE HA 5.000 . 5.000 3.540 3.329 3.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 18 THR MG 1 42 ILE MG 2.800 . 2.800 2.506 2.246 2.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 18 THR MG 1 42 ILE MD 5.000 . 5.000 4.913 4.708 5.035 0.035 28 0 "[ . 1 . 2 . 3 ]" 1
96 1 18 THR MG 1 68 TRP HD1 3.500 . 3.500 3.442 3.173 3.546 0.046 33 0 "[ . 1 . 2 . 3 ]" 1
97 1 18 THR MG 1 68 TRP HE1 3.500 . 3.500 2.259 2.023 2.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 18 THR MG 1 68 TRP HZ2 2.800 . 2.800 2.302 2.047 2.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 18 THR MG 1 68 TRP HZ3 5.000 . 5.000 4.883 4.670 5.011 0.011 33 0 "[ . 1 . 2 . 3 ]" 1
100 1 18 THR MG 1 68 TRP HH2 5.000 . 5.000 3.936 3.732 4.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 18 THR HA 1 122 LEU QD 5.000 . 5.000 3.475 2.999 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 18 THR HB 1 122 LEU QD 2.800 . 2.800 2.183 1.786 2.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 18 THR MG 1 122 LEU QD 2.800 . 2.800 1.950 1.854 2.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 19 ALA H 1 19 ALA MB 2.800 . 2.800 2.121 2.090 2.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 19 ALA H 1 20 CYS H 2.800 . 2.800 2.636 2.600 2.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 19 ALA HA 1 20 CYS H 3.500 . 3.500 3.561 3.553 3.566 0.066 10 0 "[ . 1 . 2 . 3 ]" 1
107 1 19 ALA MB 1 20 CYS H 3.500 . 3.500 2.817 2.740 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 19 ALA H 1 21 GLY H 5.000 . 5.000 4.122 4.049 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 19 ALA MB 1 21 GLY H 5.000 . 5.000 4.676 4.631 4.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 19 ALA MB 1 38 LEU QD 5.000 . 5.000 4.572 4.416 4.661 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 19 ALA H 1 42 ILE HA 5.000 . 5.000 4.004 3.838 4.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 19 ALA H 1 42 ILE MG 3.500 . 3.500 3.240 2.972 3.417 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 19 ALA MB 1 42 ILE MG 2.800 . 2.800 2.863 2.835 2.883 0.083 28 0 "[ . 1 . 2 . 3 ]" 1
114 1 19 ALA MB 1 42 ILE MD 5.000 . 5.000 4.299 4.076 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 19 ALA H 1 68 TRP HD1 5.000 . 5.000 4.168 3.884 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 19 ALA HA 1 68 TRP HD1 5.000 . 5.000 4.472 4.357 4.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 19 ALA MB 1 68 TRP QB 3.500 . 3.500 2.475 2.162 2.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 19 ALA MB 1 68 TRP HD1 2.300 . 2.300 2.327 2.264 2.352 0.052 16 0 "[ . 1 . 2 . 3 ]" 1
119 1 19 ALA MB 1 68 TRP HE3 5.000 . 5.000 5.037 5.012 5.059 0.059 23 0 "[ . 1 . 2 . 3 ]" 1
120 1 19 ALA HA 1 69 CYS H 5.000 . 5.000 4.715 4.422 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 19 ALA MB 1 69 CYS H 3.500 . 3.500 3.213 2.977 3.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 19 ALA MB 1 69 CYS HA 2.800 . 2.800 2.635 2.391 2.822 0.022 19 0 "[ . 1 . 2 . 3 ]" 1
123 1 19 ALA MB 1 69 CYS QB 2.800 . 2.800 2.025 1.934 2.315 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 19 ALA MB 1 70 ALA H 5.000 . 5.000 4.851 4.661 5.033 0.033 9 0 "[ . 1 . 2 . 3 ]" 1
125 1 19 ALA MB 1 71 GLU QG 5.000 . 5.000 5.038 5.005 5.091 0.091 19 0 "[ . 1 . 2 . 3 ]" 1
126 1 19 ALA MB 1 122 LEU QD 5.000 . 5.000 5.062 4.984 5.121 0.121 19 0 "[ . 1 . 2 . 3 ]" 1
127 1 20 CYS H 1 20 CYS HB2 2.800 . 2.800 2.358 2.326 2.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 20 CYS H 1 20 CYS HB3 3.500 . 3.500 3.597 3.589 3.603 0.103 12 0 "[ . 1 . 2 . 3 ]" 1
129 1 20 CYS H 1 21 GLY H 3.500 . 3.500 2.306 2.295 2.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 20 CYS H 1 21 GLY QA 5.000 . 5.000 4.226 4.203 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 20 CYS HA 1 21 GLY H 3.500 . 3.500 3.582 3.578 3.586 0.086 31 0 "[ . 1 . 2 . 3 ]" 1
132 1 20 CYS H 1 22 GLN H 5.000 . 5.000 4.218 4.191 4.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 20 CYS HA 1 22 GLN H 5.000 . 5.000 5.056 5.037 5.079 0.079 32 0 "[ . 1 . 2 . 3 ]" 1
134 1 21 GLY H 1 22 GLN H 3.500 . 3.500 2.443 2.397 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 21 GLY QA 1 22 GLN H 3.500 . 3.500 2.777 2.749 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 22 GLN H 1 22 GLN HB2 2.800 . 2.800 2.741 2.620 2.804 0.004 19 0 "[ . 1 . 2 . 3 ]" 1
137 1 22 GLN HA 1 22 GLN HB3 2.800 . 2.800 2.732 2.618 2.803 0.003 19 0 "[ . 1 . 2 . 3 ]" 1
138 1 22 GLN H 1 22 GLN QG 5.000 . 5.000 3.759 3.417 4.024 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 22 GLN HA 1 23 GLN H 2.300 . 2.300 2.363 2.336 2.394 0.094 27 0 "[ . 1 . 2 . 3 ]" 1
140 1 22 GLN QB 1 23 GLN H 5.000 . 5.000 2.903 2.752 3.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 22 GLN QB 1 24 VAL QG 5.000 . 5.000 4.934 4.633 5.036 0.036 11 0 "[ . 1 . 2 . 3 ]" 1
142 1 23 GLN H 1 23 GLN QG 5.000 . 5.000 3.297 2.123 3.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 23 GLN HA 1 24 VAL H 2.300 . 2.300 2.350 2.289 2.377 0.077 13 0 "[ . 1 . 2 . 3 ]" 1
144 1 24 VAL H 1 24 VAL HB 3.500 . 3.500 2.487 2.442 2.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 24 VAL HA 1 25 ASN H 2.800 . 2.800 2.428 2.232 2.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 24 VAL HB 1 25 ASN H 5.000 . 5.000 3.811 3.702 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 24 VAL QG 1 25 ASN H 5.000 . 5.000 2.146 2.025 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 24 VAL HA 1 32 ILE MG 5.000 . 5.000 4.945 4.678 5.030 0.030 22 0 "[ . 1 . 2 . 3 ]" 1
149 1 24 VAL HB 1 32 ILE H 5.000 . 5.000 5.067 5.044 5.117 0.117 32 0 "[ . 1 . 2 . 3 ]" 1
150 1 24 VAL HB 1 32 ILE MG 3.500 . 3.500 2.806 2.697 3.031 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 24 VAL QG 1 32 ILE HA 2.800 . 2.800 2.599 2.419 2.844 0.044 27 0 "[ . 1 . 2 . 3 ]" 1
152 1 24 VAL QG 1 32 ILE HB 5.000 . 5.000 3.673 3.502 3.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 24 VAL QG 1 32 ILE MG 2.800 . 2.800 2.063 1.804 2.173 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 24 VAL QG 1 32 ILE MD 5.000 . 5.000 4.320 4.045 4.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 24 VAL QG 1 43 CYS HA 3.500 . 3.500 2.315 2.119 2.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 24 VAL QG 1 43 CYS QB 3.500 . 3.500 1.851 1.712 2.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 24 VAL QG 1 129 VAL QG 5.000 . 5.000 4.106 3.760 4.288 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 25 ASN HA 1 25 ASN HB2 2.800 . 2.800 2.561 2.511 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 25 ASN H 1 25 ASN HB2 2.800 . 2.800 2.300 2.246 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 25 ASN H 1 25 ASN HB3 2.800 . 2.800 2.746 2.647 2.806 0.006 9 0 "[ . 1 . 2 . 3 ]" 1
161 1 27 PHE HA 1 28 GLN H 3.500 . 3.500 2.343 2.267 2.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 27 PHE QD 1 32 ILE MD 3.500 . 3.500 3.541 3.517 3.582 0.082 34 0 "[ . 1 . 2 . 3 ]" 1
163 1 27 PHE QE 1 32 ILE MD 5.000 . 5.000 2.457 2.014 3.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 27 PHE QD 1 133 LEU QD 3.500 . 3.500 3.529 3.408 3.559 0.059 6 0 "[ . 1 . 2 . 3 ]" 1
165 1 27 PHE QE 1 133 LEU QD 3.500 . 3.500 2.183 2.023 2.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 27 PHE HZ 1 133 LEU QD 3.500 . 3.500 2.653 2.209 3.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 27 PHE QD 1 136 LEU QD 2.300 . 2.300 2.259 2.008 2.312 0.012 23 0 "[ . 1 . 2 . 3 ]" 1
168 1 27 PHE QE 1 136 LEU QD 3.500 . 3.500 2.177 1.954 2.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 27 PHE HZ 1 136 LEU QD 3.500 . 3.500 3.510 3.445 3.541 0.041 32 0 "[ . 1 . 2 . 3 ]" 1
170 1 28 GLN HA 1 28 GLN HB2 2.800 . 2.800 2.498 2.414 2.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 28 GLN H 1 28 GLN HB2 2.800 . 2.800 2.785 2.450 2.838 0.038 22 0 "[ . 1 . 2 . 3 ]" 1
172 1 28 GLN H 1 28 GLN HB3 2.800 . 2.800 2.492 2.359 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 28 GLN H 1 28 GLN QG 5.000 . 5.000 4.002 3.955 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 28 GLN HA 1 29 LYS H 2.800 . 2.800 2.364 2.297 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 28 GLN QB 1 29 LYS H 5.000 . 5.000 3.564 3.294 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 28 GLN QG 1 29 LYS H 5.000 . 5.000 2.142 2.052 2.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 28 GLN QB 1 31 SER H 5.000 . 5.000 2.838 2.509 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 28 GLN QG 1 31 SER H 3.500 . 3.500 3.563 3.518 3.584 0.084 15 0 "[ . 1 . 2 . 3 ]" 1
179 1 29 LYS H 1 29 LYS QB 3.500 . 3.500 2.440 2.396 2.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 29 LYS H 1 29 LYS QG 3.500 . 3.500 2.141 2.102 2.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 29 LYS HA 1 30 ASP H 3.500 . 3.500 3.464 2.317 3.568 0.068 22 0 "[ . 1 . 2 . 3 ]" 1
182 1 29 LYS QB 1 30 ASP H 5.000 . 5.000 3.561 2.959 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 29 LYS QG 1 31 SER H 5.000 . 5.000 4.485 4.284 4.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 29 LYS HA 1 133 LEU QD 2.800 . 2.800 1.714 1.689 1.919 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 29 LYS QB 1 133 LEU QD 2.300 . 2.300 2.310 2.142 2.352 0.052 34 0 "[ . 1 . 2 . 3 ]" 1
186 1 29 LYS HA 1 136 LEU QD 2.800 . 2.800 2.780 2.605 2.821 0.021 34 0 "[ . 1 . 2 . 3 ]" 1
187 1 29 LYS QB 1 136 LEU QD 2.800 . 2.800 2.454 1.948 2.809 0.009 32 0 "[ . 1 . 2 . 3 ]" 1
188 1 30 ASP H 1 31 SER H 5.000 . 5.000 2.637 2.287 2.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 30 ASP HA 1 31 SER H 3.500 . 3.500 3.036 2.953 3.596 0.096 7 0 "[ . 1 . 2 . 3 ]" 1
190 1 30 ASP QB 1 31 SER H 5.000 . 5.000 3.794 2.621 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 30 ASP HA 1 32 ILE H 5.000 . 5.000 5.016 4.693 5.051 0.051 34 0 "[ . 1 . 2 . 3 ]" 1
192 1 30 ASP H 1 133 LEU QD 3.500 . 3.500 3.438 1.890 3.596 0.096 21 0 "[ . 1 . 2 . 3 ]" 1
193 1 30 ASP HA 1 133 LEU QD 3.500 . 3.500 3.495 3.279 3.554 0.054 7 0 "[ . 1 . 2 . 3 ]" 1
194 1 31 SER H 1 31 SER QB 3.500 . 3.500 2.176 2.119 2.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 31 SER H 1 32 ILE H 3.500 . 3.500 2.789 2.455 3.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 31 SER H 1 32 ILE QG 5.000 . 5.000 3.451 3.167 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 31 SER HA 1 32 ILE H 5.000 . 5.000 3.619 3.615 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 31 SER QB 1 32 ILE H 3.500 . 3.500 2.309 2.207 2.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 31 SER HA 1 33 TYR QD 5.000 . 5.000 4.371 4.050 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 31 SER HA 1 33 TYR QE 3.500 . 3.500 3.515 3.489 3.532 0.032 34 0 "[ . 1 . 2 . 3 ]" 1
201 1 32 ILE HA 1 32 ILE MG 3.500 . 3.500 2.259 2.240 2.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 32 ILE HB 1 32 ILE MD 3.500 . 3.500 2.206 2.155 2.371 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 32 ILE H 1 32 ILE QG 5.000 . 5.000 2.057 2.034 2.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 32 ILE MD 1 32 ILE MG 3.500 . 3.500 2.135 1.930 2.194 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 32 ILE H 1 32 ILE MD 5.000 . 5.000 3.671 3.609 3.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 32 ILE HA 1 33 TYR H 2.300 . 2.300 2.366 2.334 2.383 0.083 34 0 "[ . 1 . 2 . 3 ]" 1
207 1 32 ILE HA 1 33 TYR QD 3.500 . 3.500 3.542 3.520 3.577 0.077 7 0 "[ . 1 . 2 . 3 ]" 1
208 1 32 ILE HB 1 33 TYR H 5.000 . 5.000 2.736 2.667 2.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 32 ILE QG 1 33 TYR H 5.000 . 5.000 3.846 3.768 3.924 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 32 ILE MG 1 33 TYR H 5.000 . 5.000 3.790 3.720 3.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 32 ILE MG 1 41 LEU QD 2.800 . 2.800 2.511 2.374 2.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 32 ILE MD 1 41 LEU QD 2.800 . 2.800 1.907 1.782 2.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 32 ILE HA 1 42 ILE H 5.000 . 5.000 4.999 4.665 5.040 0.040 34 0 "[ . 1 . 2 . 3 ]" 1
214 1 32 ILE HA 1 43 CYS HA 2.800 . 2.800 2.566 2.275 2.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 32 ILE MG 1 43 CYS HA 3.500 . 3.500 3.564 3.531 3.597 0.097 7 0 "[ . 1 . 2 . 3 ]" 1
216 1 32 ILE MG 1 129 VAL QG 2.800 . 2.800 2.842 2.811 2.874 0.074 28 0 "[ . 1 . 2 . 3 ]" 1
217 1 32 ILE MD 1 129 VAL QG 3.500 . 3.500 2.337 2.201 2.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 32 ILE HA 1 130 PHE HZ 5.000 . 5.000 4.923 4.581 5.010 0.010 22 0 "[ . 1 . 2 . 3 ]" 1
219 1 32 ILE HB 1 130 PHE HZ 5.000 . 5.000 3.930 3.561 4.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 32 ILE MG 1 130 PHE HA 5.000 . 5.000 5.042 4.740 5.091 0.091 7 0 "[ . 1 . 2 . 3 ]" 1
221 1 32 ILE MD 1 130 PHE QD 3.500 . 3.500 2.642 2.546 2.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 32 ILE MD 1 130 PHE QE 2.800 . 2.800 2.822 2.782 2.860 0.060 34 0 "[ . 1 . 2 . 3 ]" 1
223 1 32 ILE MD 1 130 PHE HZ 3.500 . 3.500 3.478 3.277 3.551 0.051 28 0 "[ . 1 . 2 . 3 ]" 1
224 1 32 ILE H 1 133 LEU QD 5.000 . 5.000 4.018 3.508 4.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 32 ILE MD 1 133 LEU QD 2.800 . 2.800 2.624 2.118 2.818 0.018 32 0 "[ . 1 . 2 . 3 ]" 1
226 1 33 TYR H 1 33 TYR HB2 2.800 . 2.800 2.462 2.410 2.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 33 TYR HA 1 33 TYR HB3 2.800 . 2.800 2.690 2.681 2.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 33 TYR H 1 33 TYR QD 5.000 . 5.000 3.415 3.331 3.477 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 33 TYR HA 1 34 ARG H 2.300 . 2.300 2.483 2.457 2.510 0.210 27 0 "[ . 1 . 2 . 3 ]" 1
230 1 33 TYR HB3 1 34 ARG H 2.800 . 2.800 2.521 2.426 2.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 33 TYR HB2 1 34 ARG H 5.000 . 5.000 3.902 3.842 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 33 TYR QD 1 34 ARG H 5.000 . 5.000 2.940 2.849 3.030 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 33 TYR H 1 41 LEU HA 5.000 . 5.000 4.742 4.609 4.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 33 TYR QD 1 42 ILE MD 5.000 . 5.000 4.337 4.160 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 33 TYR H 1 42 ILE H 3.500 . 3.500 2.989 2.740 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 33 TYR H 1 42 ILE QG 5.000 . 5.000 3.071 2.923 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 33 TYR QD 1 43 CYS HA 5.000 . 5.000 4.084 3.919 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 33 TYR H 1 43 CYS HA 3.500 . 3.500 3.127 2.958 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 33 TYR QD 1 44 LYS H 5.000 . 5.000 3.132 3.012 3.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 33 TYR QD 1 44 LYS HA 2.800 . 2.800 1.983 1.957 2.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 33 TYR QD 1 44 LYS QB 2.800 . 2.800 2.872 2.853 2.893 0.093 24 0 "[ . 1 . 2 . 3 ]" 1
242 1 33 TYR QD 1 44 LYS QG 3.500 . 3.500 3.425 3.038 3.517 0.017 7 0 "[ . 1 . 2 . 3 ]" 1
243 1 33 TYR QD 1 44 LYS QD 5.000 . 5.000 4.395 3.917 4.800 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 33 TYR QE 1 44 LYS H 5.000 . 5.000 4.517 4.397 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 33 TYR QE 1 44 LYS HA 2.800 . 2.800 2.847 2.828 2.868 0.068 20 0 "[ . 1 . 2 . 3 ]" 1
246 1 33 TYR QE 1 44 LYS QB 2.800 . 2.800 2.727 2.618 2.846 0.046 24 0 "[ . 1 . 2 . 3 ]" 1
247 1 33 TYR QE 1 44 LYS QG 2.800 . 2.800 2.192 1.837 2.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 33 TYR QE 1 44 LYS QD 3.500 . 3.500 2.931 2.223 3.711 0.211 24 0 "[ . 1 . 2 . 3 ]" 1
249 1 33 TYR QD 1 47 PHE QD 3.500 . 3.500 3.107 2.905 3.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 33 TYR QD 1 47 PHE QE 5.000 . 5.000 3.428 3.360 3.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 33 TYR QD 1 47 PHE HZ 5.000 . 5.000 4.029 3.985 4.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 33 TYR QE 1 47 PHE QD 3.500 . 3.500 3.338 3.179 3.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 33 TYR QE 1 47 PHE QE 3.500 . 3.500 3.524 3.512 3.535 0.035 26 0 "[ . 1 . 2 . 3 ]" 1
254 1 33 TYR QE 1 47 PHE HZ 5.000 . 5.000 4.741 4.673 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 33 TYR HA 1 130 PHE QE 5.000 . 5.000 3.254 3.010 3.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 33 TYR HA 1 130 PHE HZ 2.300 . 2.300 2.331 2.035 2.376 0.076 28 0 "[ . 1 . 2 . 3 ]" 1
257 1 33 TYR QB 1 130 PHE HZ 5.000 . 5.000 4.460 4.055 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 33 TYR QD 1 130 PHE HZ 5.000 . 5.000 4.591 4.467 4.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 34 ARG H 1 34 ARG QG 5.000 . 5.000 2.905 2.537 3.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 34 ARG H 1 35 HIS H 5.000 . 5.000 4.527 4.359 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 34 ARG HA 1 35 HIS H 2.300 . 2.300 2.296 2.253 2.336 0.036 28 0 "[ . 1 . 2 . 3 ]" 1
262 1 34 ARG HA 1 40 VAL H 5.000 . 5.000 4.669 4.324 5.005 0.005 25 0 "[ . 1 . 2 . 3 ]" 1
263 1 34 ARG QG 1 41 LEU QD 3.500 . 3.500 3.371 2.306 3.541 0.041 7 0 "[ . 1 . 2 . 3 ]" 1
264 1 34 ARG HA 1 41 LEU HA 2.300 . 2.300 2.280 2.058 2.378 0.078 16 0 "[ . 1 . 2 . 3 ]" 1
265 1 34 ARG HA 1 42 ILE H 3.500 . 3.500 3.117 3.032 3.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 34 ARG H 1 47 PHE QD 3.500 . 3.500 3.513 3.403 3.536 0.036 16 0 "[ . 1 . 2 . 3 ]" 1
267 1 34 ARG H 1 47 PHE QE 3.500 . 3.500 3.560 3.538 3.602 0.102 28 0 "[ . 1 . 2 . 3 ]" 1
268 1 34 ARG QG 1 130 PHE QE 5.000 . 5.000 1.878 1.832 2.062 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 34 ARG QG 1 130 PHE HZ 3.500 . 3.500 3.190 2.780 3.525 0.025 25 0 "[ . 1 . 2 . 3 ]" 1
270 1 34 ARG QG 1 130 PHE QD 3.500 . 3.500 2.572 2.322 2.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 34 ARG QB 1 130 PHE HZ 5.000 . 5.000 4.731 4.245 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 34 ARG H 1 130 PHE QE 5.000 . 5.000 3.589 3.341 3.884 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 34 ARG H 1 130 PHE HZ 5.000 . 5.000 3.946 3.571 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 35 HIS HA 1 35 HIS HB2 2.800 . 2.800 2.678 2.657 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 35 HIS H 1 35 HIS HB2 2.800 . 2.800 2.192 2.158 2.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 35 HIS H 1 35 HIS HB3 2.800 . 2.800 2.863 2.832 2.891 0.091 34 0 "[ . 1 . 2 . 3 ]" 1
277 1 35 HIS HE1 1 37 SER H 3.500 . 3.500 3.537 3.387 3.570 0.070 25 0 "[ . 1 . 2 . 3 ]" 1
278 1 35 HIS HE1 1 37 SER QB 2.800 . 2.800 2.862 2.841 2.893 0.093 33 0 "[ . 1 . 2 . 3 ]" 1
279 1 35 HIS HD2 1 38 LEU QD 3.500 . 3.500 3.551 3.423 3.580 0.080 28 0 "[ . 1 . 2 . 3 ]" 1
280 1 35 HIS HE1 1 38 LEU H 5.000 . 5.000 4.668 4.054 4.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 35 HIS HE1 1 38 LEU HG 3.500 . 3.500 2.890 2.774 3.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 35 HIS HE1 1 38 LEU QD 3.500 . 3.500 2.813 2.512 3.579 0.079 19 0 "[ . 1 . 2 . 3 ]" 1
283 1 35 HIS H 1 39 GLN H 5.000 . 5.000 4.972 4.744 5.056 0.056 19 0 "[ . 1 . 2 . 3 ]" 1
284 1 35 HIS QB 1 39 GLN H 3.500 . 3.500 3.302 3.099 3.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 35 HIS H 1 39 GLN HA 5.000 . 5.000 5.016 4.619 5.046 0.046 26 0 "[ . 1 . 2 . 3 ]" 1
286 1 35 HIS H 1 40 VAL H 3.500 . 3.500 2.936 2.523 3.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 35 HIS H 1 40 VAL QG 5.000 . 5.000 2.975 2.801 3.848 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 35 HIS QB 1 40 VAL H 3.500 . 3.500 2.359 2.074 2.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 35 HIS QB 1 40 VAL QG . . 3.500 1.777 1.682 2.791 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 35 HIS HD2 1 40 VAL QG 3.500 . 3.500 3.536 3.510 3.624 0.124 33 0 "[ . 1 . 2 . 3 ]" 1
291 1 35 HIS H 1 41 LEU HA 3.500 . 3.500 3.296 3.087 3.510 0.010 16 0 "[ . 1 . 2 . 3 ]" 1
292 1 35 HIS HD2 1 42 ILE MG 2.800 . 2.800 1.998 1.833 2.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 35 HIS HD2 1 42 ILE MD 2.800 . 2.800 2.374 2.083 2.804 0.004 19 0 "[ . 1 . 2 . 3 ]" 1
294 1 36 PRO HA 1 37 SER H 5.000 . 5.000 3.604 3.595 3.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 36 PRO QB 1 37 SER H 3.500 . 3.500 3.099 2.739 3.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 36 PRO HA 1 47 PHE QE 5.000 . 5.000 4.268 4.195 4.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 36 PRO QB 1 47 PHE QE 3.500 . 3.500 3.571 3.551 3.595 0.095 28 0 "[ . 1 . 2 . 3 ]" 1
298 1 36 PRO QB 1 47 PHE HZ 5.000 . 5.000 4.021 3.872 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 36 PRO QG 1 47 PHE QD 5.000 . 5.000 4.739 4.511 4.842 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 36 PRO QG 1 47 PHE QE 5.000 . 5.000 3.809 3.366 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 36 PRO QD 1 47 PHE QD 5.000 . 5.000 3.257 2.913 3.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 36 PRO QD 1 47 PHE QE 5.000 . 5.000 2.654 2.264 2.778 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 36 PRO QB 1 50 TYR QD 5.000 . 5.000 4.677 4.456 4.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 36 PRO QB 1 50 TYR QE 5.000 . 5.000 4.509 4.241 4.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 36 PRO QG 1 50 TYR QD 2.800 . 2.800 2.784 2.591 2.879 0.079 19 0 "[ . 1 . 2 . 3 ]" 1
306 1 36 PRO QG 1 50 TYR QE 3.500 . 3.500 2.663 2.463 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 36 PRO QD 1 50 TYR QD 3.500 . 3.500 3.298 3.005 3.532 0.032 23 0 "[ . 1 . 2 . 3 ]" 1
308 1 36 PRO QD 1 50 TYR QE 3.500 . 3.500 3.520 3.502 3.533 0.033 25 0 "[ . 1 . 2 . 3 ]" 1
309 1 37 SER H 1 37 SER QB 3.500 . 3.500 2.342 2.108 2.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 37 SER H 1 38 LEU H 3.500 . 3.500 2.732 2.697 2.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 37 SER HA 1 38 LEU H 5.000 . 5.000 3.286 3.244 3.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 37 SER QB 1 38 LEU QD 5.000 . 5.000 3.305 2.763 3.405 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 37 SER H 1 39 GLN H 5.000 . 5.000 4.655 4.388 4.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 37 SER HA 1 113 ILE MD 5.000 . 5.000 4.150 3.795 4.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 37 SER QB 1 113 ILE MG 2.800 . 2.800 2.807 2.768 2.830 0.030 27 0 "[ . 1 . 2 . 3 ]" 1
316 1 37 SER QB 1 113 ILE MD 3.500 . 3.500 2.213 1.839 2.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 38 LEU HA 1 39 GLN H 5.000 . 5.000 3.405 3.351 3.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 38 LEU QD 1 40 VAL QG 2.800 . 2.800 2.538 2.477 2.733 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 38 LEU QD 1 42 ILE MD 5.000 . 5.000 5.023 4.898 5.073 0.073 16 0 "[ . 1 . 2 . 3 ]" 1
320 1 38 LEU QB 1 68 TRP HZ2 3.500 . 3.500 3.452 3.110 3.524 0.024 28 0 "[ . 1 . 2 . 3 ]" 1
321 1 38 LEU QB 1 68 TRP HH2 5.000 . 5.000 4.414 4.005 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 38 LEU QD 1 68 TRP H 5.000 . 5.000 4.572 3.615 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 38 LEU QD 1 68 TRP HA 2.800 . 2.800 2.887 2.801 2.926 0.126 33 0 "[ . 1 . 2 . 3 ]" 1
324 1 38 LEU QD 1 68 TRP HD1 3.500 . 3.500 3.303 3.044 3.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 38 LEU QD 1 68 TRP HE1 3.500 . 3.500 3.017 2.552 3.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 38 LEU QD 1 68 TRP HE3 3.500 . 3.500 3.209 3.025 3.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 38 LEU QD 1 68 TRP HZ2 2.800 . 2.800 3.010 2.978 3.041 0.241 28 0 "[ . 1 . 2 . 3 ]" 1
328 1 38 LEU QD 1 68 TRP HH2 5.000 . 5.000 3.487 3.327 3.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 38 LEU QD 1 85 PHE QD 5.000 . 5.000 4.163 4.084 4.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 38 LEU QD 1 85 PHE QE 2.300 . 2.300 2.329 2.240 2.382 0.082 25 0 "[ . 1 . 2 . 3 ]" 1
331 1 38 LEU QD 1 85 PHE HZ 2.300 . 2.300 2.143 2.013 2.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
332 1 38 LEU QD 1 113 ILE HA 5.000 . 5.000 2.267 2.075 2.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 38 LEU QD 1 113 ILE MG 3.500 . 3.500 3.549 3.521 3.589 0.089 25 0 "[ . 1 . 2 . 3 ]" 1
334 1 38 LEU QD 1 113 ILE QG 2.800 . 2.800 2.837 2.805 2.865 0.065 13 0 "[ . 1 . 2 . 3 ]" 1
335 1 38 LEU QD 1 113 ILE MD 2.300 . 2.300 1.787 1.717 1.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 38 LEU QD 1 119 LEU QD 3.500 . 3.500 2.494 2.420 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 38 LEU QD 1 122 LEU QD 5.000 . 5.000 4.128 3.812 4.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 39 GLN H 1 40 VAL H 5.000 . 5.000 2.936 2.898 2.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 39 GLN HA 1 40 VAL H 3.500 . 3.500 2.926 2.755 3.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
340 1 39 GLN QB 1 120 LEU QD 5.000 . 5.000 5.070 5.035 5.102 0.102 31 0 "[ . 1 . 2 . 3 ]" 1
341 1 39 GLN QB 1 123 VAL QG 3.500 . 3.500 1.922 1.739 2.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 40 VAL HA 1 41 LEU H 2.300 . 2.300 2.450 2.435 2.510 0.210 34 0 "[ . 1 . 2 . 3 ]" 1
343 1 40 VAL HB 1 41 LEU H 5.000 . 5.000 3.829 2.435 4.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 40 VAL QG 1 41 LEU H 5.000 . 5.000 2.147 2.009 3.154 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 40 VAL QG 1 42 ILE MG 5.000 . 5.000 2.450 2.268 2.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 40 VAL QG 1 68 TRP HE1 3.500 . 3.500 1.998 1.955 2.063 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 40 VAL QG 1 68 TRP HZ2 2.800 . 2.800 1.770 1.715 1.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 40 VAL QG 1 119 LEU QD 2.800 . 2.800 2.653 1.834 2.865 0.065 21 0 "[ . 1 . 2 . 3 ]" 1
349 1 40 VAL QG 1 122 LEU QB 2.800 . 2.800 2.196 1.800 2.891 0.091 28 0 "[ . 1 . 2 . 3 ]" 1
350 1 40 VAL QG 1 122 LEU QD 2.800 . 2.800 2.036 1.818 2.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 40 VAL QG 1 123 VAL HA 3.500 . 3.500 2.964 2.572 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 40 VAL QG 1 123 VAL QG 2.800 . 2.800 2.729 1.830 2.929 0.129 31 0 "[ . 1 . 2 . 3 ]" 1
353 1 41 LEU HA 1 41 LEU HB2 2.800 . 2.800 2.574 2.419 2.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 41 LEU H 1 41 LEU HB2 2.800 . 2.800 2.506 2.400 2.854 0.054 28 0 "[ . 1 . 2 . 3 ]" 1
355 1 41 LEU H 1 41 LEU HB3 2.800 . 2.800 2.640 2.320 2.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 41 LEU HA 1 42 ILE H 2.300 . 2.300 2.284 2.239 2.320 0.020 28 0 "[ . 1 . 2 . 3 ]" 1
357 1 41 LEU QB 1 42 ILE H 5.000 . 5.000 3.596 3.510 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 41 LEU QD 1 129 VAL HB 3.500 . 3.500 1.995 1.871 3.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 41 LEU QD 1 129 VAL QG 3.500 . 3.500 2.017 1.796 2.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 42 ILE MD 1 42 ILE MG 3.500 . 3.500 1.930 1.718 2.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 42 ILE HA 1 43 CYS H 2.800 . 2.800 2.842 2.815 2.875 0.075 28 0 "[ . 1 . 2 . 3 ]" 1
362 1 42 ILE HB 1 43 CYS H 3.500 . 3.500 2.091 2.066 2.114 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 42 ILE MD 1 47 PHE H 5.000 . 5.000 2.641 2.341 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 42 ILE MD 1 47 PHE HA 5.000 . 5.000 2.772 2.450 2.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 42 ILE MD 1 47 PHE QB 5.000 . 5.000 2.580 2.096 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 42 ILE MD 1 47 PHE QD 2.800 . 2.800 1.969 1.883 2.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
367 1 42 ILE MD 1 47 PHE QE 5.000 . 5.000 3.703 3.416 4.035 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 42 ILE MD 1 50 TYR QD 5.000 . 5.000 4.634 4.465 4.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 42 ILE MG 1 68 TRP HD1 2.800 . 2.800 2.701 2.386 2.858 0.058 34 0 "[ . 1 . 2 . 3 ]" 1
370 1 42 ILE MG 1 68 TRP HE1 3.500 . 3.500 2.561 2.430 2.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 43 CYS HA 1 43 CYS QB 2.800 . 2.800 2.200 2.197 2.202 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 43 CYS H 1 43 CYS HB3 2.800 . 2.800 2.825 2.796 2.844 0.044 20 0 "[ . 1 . 2 . 3 ]" 1
373 1 43 CYS HA 1 44 LYS H 2.800 . 2.800 2.441 2.406 2.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 43 CYS HB3 1 44 LYS H 5.000 . 5.000 4.064 4.021 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 43 CYS HA 1 45 ASN H 5.000 . 5.000 4.457 4.322 4.633 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 44 LYS H 1 44 LYS QB 3.500 . 3.500 2.222 2.139 2.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 44 LYS H 1 45 ASN H 3.500 . 3.500 2.964 2.928 3.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 44 LYS HA 1 45 ASN H 3.500 . 3.500 3.577 3.562 3.593 0.093 10 0 "[ . 1 . 2 . 3 ]" 1
379 1 44 LYS QB 1 45 ASN H 3.500 . 3.500 2.609 2.461 2.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
380 1 44 LYS HA 1 47 PHE H 5.000 . 5.000 3.524 3.441 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 45 ASN HA 1 45 ASN HB3 2.800 . 2.800 2.599 2.497 2.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 45 ASN H 1 45 ASN HB2 2.800 . 2.800 2.296 2.172 2.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 45 ASN H 1 46 CYS H 2.800 . 2.800 2.729 2.618 2.808 0.008 10 0 "[ . 1 . 2 . 3 ]" 1
384 1 45 ASN HA 1 46 CYS H 3.500 . 3.500 3.546 3.538 3.557 0.057 33 0 "[ . 1 . 2 . 3 ]" 1
385 1 45 ASN QB 1 46 CYS H 5.000 . 5.000 2.916 2.863 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 45 ASN H 1 47 PHE H 5.000 . 5.000 4.533 4.372 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 45 ASN HA 1 48 LYS H 3.500 . 3.500 3.612 3.599 3.627 0.127 22 0 "[ . 1 . 2 . 3 ]" 1
388 1 46 CYS H 1 46 CYS HB2 2.800 . 2.800 2.150 2.137 2.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 46 CYS H 1 46 CYS HB3 3.500 . 3.500 3.488 3.476 3.507 0.007 20 0 "[ . 1 . 2 . 3 ]" 1
390 1 46 CYS H 1 47 PHE H 2.800 . 2.800 2.559 2.467 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
391 1 46 CYS HA 1 47 PHE H 3.500 . 3.500 3.593 3.584 3.600 0.100 33 0 "[ . 1 . 2 . 3 ]" 1
392 1 46 CYS QB 1 47 PHE H 5.000 . 5.000 2.434 2.378 2.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 46 CYS H 1 48 LYS H 5.000 . 5.000 3.812 3.699 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 46 CYS HA 1 49 TYR H 3.500 . 3.500 3.485 3.428 3.522 0.022 19 0 "[ . 1 . 2 . 3 ]" 1
395 1 46 CYS HA 1 49 TYR QB 3.500 . 3.500 2.570 2.476 2.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 46 CYS HA 1 49 TYR QD 3.500 . 3.500 3.555 3.536 3.577 0.077 33 0 "[ . 1 . 2 . 3 ]" 1
397 1 47 PHE H 1 47 PHE QB 3.500 . 3.500 2.121 2.104 2.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 47 PHE H 1 48 LYS H 2.800 . 2.800 2.755 2.689 2.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 47 PHE QD 1 48 LYS H 5.000 . 5.000 4.230 4.040 4.301 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 47 PHE HA 1 49 TYR H 5.000 . 5.000 4.626 4.566 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
401 1 47 PHE HA 1 50 TYR H 3.500 . 3.500 3.623 3.578 3.670 0.170 27 0 "[ . 1 . 2 . 3 ]" 1
402 1 47 PHE HA 1 50 TYR QD 5.000 . 5.000 4.417 4.273 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 48 LYS H 1 49 TYR H 3.500 . 3.500 2.488 2.460 2.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 48 LYS HA 1 49 TYR H 5.000 . 5.000 3.587 3.582 3.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
405 1 48 LYS QB 1 49 TYR H 5.000 . 5.000 2.640 2.581 2.709 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 48 LYS HA 1 51 MET H 3.500 . 3.500 3.578 3.539 3.609 0.109 22 0 "[ . 1 . 2 . 3 ]" 1
407 1 48 LYS HA 1 52 SER H 3.500 . 3.500 3.540 3.520 3.563 0.063 33 0 "[ . 1 . 2 . 3 ]" 1
408 1 49 TYR HA 1 49 TYR HB2 2.800 . 2.800 2.481 2.468 2.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 49 TYR H 1 49 TYR HB2 2.800 . 2.800 2.577 2.521 2.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 49 TYR H 1 49 TYR HB3 2.800 . 2.800 2.445 2.406 2.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 49 TYR H 1 49 TYR QB 3.500 . 3.500 2.231 2.225 2.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 49 TYR H 1 49 TYR QD 5.000 . 5.000 4.183 4.178 4.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
413 1 49 TYR H 1 50 TYR H 2.800 . 2.800 2.595 2.563 2.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 49 TYR HA 1 50 TYR H 5.000 . 5.000 3.601 3.594 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 49 TYR HA 1 52 SER H 3.500 . 3.500 3.400 3.367 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 49 TYR HA 1 52 SER HA 5.000 . 5.000 5.074 5.029 5.130 0.130 3 0 "[ . 1 . 2 . 3 ]" 1
417 1 49 TYR HA 1 52 SER QB 3.500 . 3.500 2.217 2.073 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
418 1 49 TYR QB 1 52 SER H 5.000 . 5.000 4.999 4.925 5.047 0.047 18 0 "[ . 1 . 2 . 3 ]" 1
419 1 49 TYR QD 1 70 ALA MB 2.800 . 2.800 2.648 2.351 2.827 0.027 16 0 "[ . 1 . 2 . 3 ]" 1
420 1 49 TYR QE 1 70 ALA MB 2.300 . 2.300 2.227 2.036 2.337 0.037 4 0 "[ . 1 . 2 . 3 ]" 1
421 1 50 TYR H 1 50 TYR QD 5.000 . 5.000 3.920 3.746 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 50 TYR H 1 51 MET H 2.800 . 2.800 2.682 2.581 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
423 1 50 TYR HA 1 51 MET H 3.500 . 3.500 3.581 3.575 3.586 0.086 18 0 "[ . 1 . 2 . 3 ]" 1
424 1 50 TYR QB 1 51 MET H 5.000 . 5.000 2.695 2.637 2.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 50 TYR QD 1 51 MET H 5.000 . 5.000 4.495 4.399 4.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 50 TYR HA 1 52 SER H 5.000 . 5.000 4.923 4.725 5.051 0.051 32 0 "[ . 1 . 2 . 3 ]" 1
427 1 50 TYR HA 1 70 ALA MB 2.800 . 2.800 2.869 2.843 2.904 0.104 27 0 "[ . 1 . 2 . 3 ]" 1
428 1 50 TYR QD 1 70 ALA MB 2.300 . 2.300 2.013 1.951 2.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
429 1 50 TYR QE 1 70 ALA MB 2.800 . 2.800 2.828 2.813 2.863 0.063 19 0 "[ . 1 . 2 . 3 ]" 1
430 1 51 MET H 1 52 SER H 3.500 . 3.500 2.353 2.290 2.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 51 MET HA 1 52 SER H 3.500 . 3.500 3.584 3.578 3.590 0.090 3 0 "[ . 1 . 2 . 3 ]" 1
432 1 51 MET QB 1 52 SER H 3.500 . 3.500 2.559 2.447 3.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 51 MET QG 1 52 SER H 3.500 . 3.500 3.495 2.079 3.653 0.153 18 0 "[ . 1 . 2 . 3 ]" 1
434 1 52 SER H 1 52 SER QB 3.500 . 3.500 2.296 2.195 2.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 52 SER H 1 53 ASP H 2.800 . 2.800 2.818 2.757 2.856 0.056 18 0 "[ . 1 . 2 . 3 ]" 1
436 1 52 SER HA 1 53 ASP H 3.500 . 3.500 3.577 3.570 3.581 0.081 19 0 "[ . 1 . 2 . 3 ]" 1
437 1 52 SER QB 1 53 ASP H 3.500 . 3.500 2.675 2.529 3.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 53 ASP H 1 53 ASP QB 3.500 . 3.500 2.289 2.177 2.392 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 53 ASP H 1 54 ASP H 5.000 . 5.000 4.568 4.491 4.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 53 ASP HA 1 54 ASP H 2.300 . 2.300 2.318 2.278 2.347 0.047 21 0 "[ . 1 . 2 . 3 ]" 1
441 1 53 ASP QB 1 54 ASP H 3.500 . 3.500 3.295 2.932 3.525 0.025 32 0 "[ . 1 . 2 . 3 ]" 1
442 1 54 ASP HA 1 54 ASP HB3 2.800 . 2.800 2.634 2.490 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 54 ASP H 1 54 ASP HB2 2.800 . 2.800 2.287 2.210 2.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 54 ASP H 1 55 ILE H 5.000 . 5.000 4.582 4.557 4.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 54 ASP HA 1 55 ILE H 2.300 . 2.300 2.363 2.330 2.401 0.101 30 0 "[ . 1 . 2 . 3 ]" 1
446 1 54 ASP QB 1 55 ILE H 3.500 . 3.500 2.866 2.728 3.020 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 55 ILE HA 1 55 ILE MG 3.500 . 3.500 2.374 2.264 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 55 ILE HA 1 55 ILE MD 3.500 . 3.500 1.996 1.912 2.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 55 ILE HB 1 55 ILE MD 3.500 . 3.500 3.206 3.202 3.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 55 ILE MD 1 55 ILE MG 3.500 . 3.500 1.868 1.710 2.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 55 ILE H 1 55 ILE MD 5.000 . 5.000 3.530 3.309 3.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 55 ILE H 1 56 SER H 5.000 . 5.000 4.533 4.246 4.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 55 ILE HA 1 56 SER H 2.800 . 2.800 2.282 2.224 2.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 55 ILE HB 1 56 SER H 5.000 . 5.000 4.190 3.765 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 55 ILE MG 1 56 SER H 3.500 . 3.500 2.600 2.035 3.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 55 ILE MD 1 56 SER H 3.500 . 3.500 3.537 3.419 3.613 0.113 21 0 "[ . 1 . 2 . 3 ]" 1
457 1 55 ILE MG 1 63 ASP HA 3.500 . 3.500 3.471 2.951 3.637 0.137 32 0 "[ . 1 . 2 . 3 ]" 1
458 1 55 ILE MG 1 64 GLU H 3.500 . 3.500 3.459 2.827 3.564 0.064 13 0 "[ . 1 . 2 . 3 ]" 1
459 1 55 ILE MG 1 65 GLN H 3.500 . 3.500 3.263 2.747 3.595 0.095 9 0 "[ . 1 . 2 . 3 ]" 1
460 1 55 ILE MG 1 65 GLN QB 2.800 . 2.800 1.812 1.681 2.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 55 ILE MD 1 65 GLN QB 2.800 . 2.800 2.100 1.813 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 55 ILE MG 1 70 ALA HA 5.000 . 5.000 4.812 4.022 5.098 0.098 9 0 "[ . 1 . 2 . 3 ]" 1
463 1 55 ILE QG 1 70 ALA MB 3.500 . 3.500 3.403 3.050 3.565 0.065 23 0 "[ . 1 . 2 . 3 ]" 1
464 1 55 ILE MD 1 70 ALA HA 2.800 . 2.800 2.740 2.145 2.892 0.092 9 0 "[ . 1 . 2 . 3 ]" 1
465 1 55 ILE MD 1 70 ALA MB 2.800 . 2.800 2.733 2.441 2.851 0.051 33 0 "[ . 1 . 2 . 3 ]" 1
466 1 56 SER HA 1 57 ARG H 3.500 . 3.500 2.858 2.250 3.607 0.107 5 0 "[ . 1 . 2 . 3 ]" 1
467 1 57 ARG HA 1 58 ASP H 3.500 . 3.500 2.414 2.237 3.555 0.055 31 0 "[ . 1 . 2 . 3 ]" 1
468 1 57 ARG HA 1 58 ASP HA 5.000 . 5.000 4.584 4.456 5.335 0.335 31 0 "[ . 1 . 2 . 3 ]" 1
469 1 58 ASP HA 1 59 SER H 3.500 . 3.500 2.708 2.381 3.605 0.105 2 0 "[ . 1 . 2 . 3 ]" 1
470 1 58 ASP QB 1 59 SER H 3.500 . 3.500 2.654 2.142 3.670 0.170 30 0 "[ . 1 . 2 . 3 ]" 1
471 1 58 ASP QB 1 59 SER HA 5.000 . 5.000 4.445 4.032 4.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 58 ASP H 1 60 ASP H 5.000 . 5.000 4.376 3.222 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 58 ASP HA 1 60 ASP H 5.000 . 5.000 4.525 3.849 5.065 0.065 2 0 "[ . 1 . 2 . 3 ]" 1
474 1 58 ASP HA 1 61 GLY H 5.000 . 5.000 4.340 3.285 5.065 0.065 13 0 "[ . 1 . 2 . 3 ]" 1
475 1 58 ASP H 1 62 MET H 3.500 . 3.500 2.943 2.326 3.593 0.093 31 0 "[ . 1 . 2 . 3 ]" 1
476 1 58 ASP H 1 63 ASP HA 3.500 . 3.500 3.388 2.313 3.539 0.039 21 0 "[ . 1 . 2 . 3 ]" 1
477 1 58 ASP H 1 64 GLU H 3.500 . 3.500 3.462 2.554 3.560 0.060 31 0 "[ . 1 . 2 . 3 ]" 1
478 1 59 SER H 1 59 SER QB 3.500 . 3.500 2.657 2.159 3.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 59 SER H 1 60 ASP H 5.000 . 5.000 3.343 2.315 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 59 SER HA 1 60 ASP H 5.000 . 5.000 3.602 3.573 3.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 59 SER QB 1 60 ASP H 5.000 . 5.000 2.670 2.101 3.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
482 1 60 ASP H 1 60 ASP QB 3.500 . 3.500 2.393 2.293 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 60 ASP HA 1 61 GLY H 3.500 . 3.500 2.975 2.867 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 60 ASP QB 1 61 GLY H 5.000 . 5.000 3.848 3.777 3.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 60 ASP H 1 62 MET H 3.500 . 3.500 3.145 2.730 3.519 0.019 27 0 "[ . 1 . 2 . 3 ]" 1
486 1 60 ASP QB 1 62 MET H 3.500 . 3.500 3.536 3.404 3.618 0.118 31 0 "[ . 1 . 2 . 3 ]" 1
487 1 61 GLY H 1 62 MET H 3.500 . 3.500 2.837 2.664 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 61 GLY QA 1 62 MET H 3.500 . 3.500 2.858 2.813 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 62 MET H 1 62 MET QB 3.500 . 3.500 2.490 2.220 2.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 62 MET H 1 63 ASP H 5.000 . 5.000 4.161 2.425 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 62 MET HA 1 63 ASP H 5.000 . 5.000 2.608 2.259 3.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
492 1 63 ASP HA 1 64 GLU H 3.500 . 3.500 2.258 2.230 2.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 63 ASP HA 1 65 GLN H 5.000 . 5.000 4.128 3.891 4.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 64 GLU H 1 64 GLU QB 3.500 . 3.500 2.497 2.227 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 64 GLU H 1 65 GLN H 2.800 . 2.800 2.826 2.634 2.900 0.100 26 0 "[ . 1 . 2 . 3 ]" 1
496 1 64 GLU HA 1 65 GLN H 2.800 . 2.800 2.814 2.718 2.890 0.090 12 0 "[ . 1 . 2 . 3 ]" 1
497 1 64 GLU QB 1 65 GLN H 5.000 . 5.000 3.919 3.856 3.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 64 GLU HA 1 75 LEU QD 3.500 . 3.500 3.316 2.683 3.544 0.044 20 0 "[ . 1 . 2 . 3 ]" 1
499 1 65 GLN H 1 65 GLN QB 3.500 . 3.500 2.527 2.326 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 65 GLN HA 1 66 CYS H 2.800 . 2.800 2.528 2.246 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 65 GLN H 1 75 LEU QD 3.500 . 3.500 3.412 3.074 3.554 0.054 26 0 "[ . 1 . 2 . 3 ]" 1
502 1 65 GLN HA 1 75 LEU QD 3.500 . 3.500 2.172 1.883 2.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 66 CYS HA 1 66 CYS HB2 2.800 . 2.800 2.512 2.413 2.551 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 66 CYS H 1 66 CYS HB3 2.800 . 2.800 2.508 2.295 2.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 66 CYS H 1 66 CYS HB2 2.800 . 2.800 2.511 2.369 2.808 0.008 19 0 "[ . 1 . 2 . 3 ]" 1
506 1 66 CYS HA 1 67 ARG H 3.500 . 3.500 2.382 2.366 2.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 66 CYS QB 1 67 ARG H 3.500 . 3.500 3.512 3.472 3.544 0.044 14 0 "[ . 1 . 2 . 3 ]" 1
508 1 66 CYS HB3 1 69 CYS H 5.000 . 5.000 3.081 2.830 3.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 66 CYS HB2 1 69 CYS H 5.000 . 5.000 4.244 4.076 4.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 66 CYS HA 1 70 ALA H 5.000 . 5.000 4.961 4.825 5.092 0.092 13 0 "[ . 1 . 2 . 3 ]" 1
511 1 66 CYS H 1 70 ALA MB 5.000 . 5.000 4.920 4.548 5.084 0.084 18 0 "[ . 1 . 2 . 3 ]" 1
512 1 66 CYS H 1 71 GLU H 2.800 . 2.800 2.852 2.824 2.872 0.072 14 0 "[ . 1 . 2 . 3 ]" 1
513 1 66 CYS H 1 72 GLY QA 3.500 . 3.500 3.469 3.116 3.636 0.136 23 0 "[ . 1 . 2 . 3 ]" 1
514 1 66 CYS H 1 75 LEU QD 2.800 . 2.800 2.789 2.377 2.895 0.095 28 0 "[ . 1 . 2 . 3 ]" 1
515 1 66 CYS QB 1 75 LEU QD 3.500 . 3.500 2.763 2.411 3.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 66 CYS HA 1 86 CYS H 3.500 . 3.500 3.535 2.772 3.619 0.119 19 0 "[ . 1 . 2 . 3 ]" 1
517 1 66 CYS QB 1 86 CYS H 5.000 . 5.000 3.383 2.155 3.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 67 ARG HA 1 68 TRP H 3.500 . 3.500 2.950 2.786 3.575 0.075 19 0 "[ . 1 . 2 . 3 ]" 1
519 1 67 ARG H 1 75 LEU QD 5.000 . 5.000 4.734 4.454 5.023 0.023 19 0 "[ . 1 . 2 . 3 ]" 1
520 1 67 ARG H 1 85 PHE HA 3.500 . 3.500 2.369 2.170 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 68 TRP H 1 69 CYS H 2.800 . 2.800 2.336 2.291 2.878 0.078 19 0 "[ . 1 . 2 . 3 ]" 1
522 1 68 TRP HA 1 69 CYS H 5.000 . 5.000 3.609 3.598 3.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 68 TRP QB 1 85 PHE QD 3.500 . 3.500 2.725 2.546 3.140 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 68 TRP QB 1 85 PHE QE 3.500 . 3.500 2.352 2.170 2.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
525 1 68 TRP HE3 1 85 PHE QD 5.000 . 5.000 2.720 2.548 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 68 TRP HE3 1 112 TYR QE 5.000 . 5.000 3.992 3.777 4.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
527 1 68 TRP HE3 1 119 LEU QD 5.000 . 5.000 4.942 4.806 5.051 0.051 25 0 "[ . 1 . 2 . 3 ]" 1
528 1 68 TRP HZ2 1 119 LEU QD 2.800 . 2.800 2.795 2.434 2.872 0.072 25 0 "[ . 1 . 2 . 3 ]" 1
529 1 68 TRP HZ3 1 119 LEU QD 3.500 . 3.500 3.490 3.287 3.553 0.053 16 0 "[ . 1 . 2 . 3 ]" 1
530 1 68 TRP HH2 1 119 LEU QD 2.300 . 2.300 1.944 1.916 1.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
531 1 68 TRP HE3 1 122 LEU QD 5.000 . 5.000 5.034 4.972 5.068 0.068 2 0 "[ . 1 . 2 . 3 ]" 1
532 1 68 TRP HZ2 1 122 LEU QD 2.300 . 2.300 2.210 1.879 2.334 0.034 8 0 "[ . 1 . 2 . 3 ]" 1
533 1 68 TRP HH2 1 122 LEU QD 2.300 . 2.300 2.269 2.139 2.369 0.069 28 0 "[ . 1 . 2 . 3 ]" 1
534 1 69 CYS H 1 69 CYS HB3 2.800 . 2.800 2.715 2.687 2.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 69 CYS HA 1 69 CYS HB3 2.800 . 2.800 2.504 2.495 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 69 CYS HA 1 69 CYS HB2 2.800 . 2.800 2.434 2.429 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 69 CYS HB2 1 70 ALA H 5.000 . 5.000 4.362 4.258 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 69 CYS H 1 70 ALA H 2.800 . 2.800 2.417 2.337 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 69 CYS HA 1 70 ALA H 5.000 . 5.000 3.448 3.394 3.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 70 ALA H 1 70 ALA MB 3.500 . 3.500 2.843 2.816 2.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 70 ALA H 1 71 GLU H 2.800 . 2.800 2.885 2.823 2.916 0.116 3 0 "[ . 1 . 2 . 3 ]" 1
542 1 70 ALA HA 1 71 GLU H 3.500 . 3.500 2.766 2.660 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
543 1 70 ALA MB 1 71 GLU H 5.000 . 5.000 3.742 3.704 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 71 GLU HA 1 71 GLU HB3 2.800 . 2.800 2.529 2.479 2.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 71 GLU H 1 71 GLU HB2 2.800 . 2.800 2.438 2.271 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 71 GLU H 1 71 GLU QG 5.000 . 5.000 2.814 2.645 3.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 71 GLU H 1 72 GLY H 5.000 . 5.000 3.657 2.533 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 71 GLU HA 1 72 GLY H 3.500 . 3.500 3.093 2.265 3.612 0.112 12 0 "[ . 1 . 2 . 3 ]" 1
549 1 71 GLU QB 1 72 GLY H 3.500 . 3.500 2.214 2.099 3.511 0.011 15 0 "[ . 1 . 2 . 3 ]" 1
550 1 71 GLU H 1 75 LEU QD 5.000 . 5.000 4.291 4.084 4.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 72 GLY H 1 73 GLY H 5.000 . 5.000 4.416 4.159 4.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 72 GLY QA 1 73 GLY H 3.500 . 3.500 2.307 2.256 2.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 72 GLY QA 1 75 LEU QD 5.000 . 5.000 1.914 1.711 2.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 73 GLY QA 1 74 ASN H 3.500 . 3.500 2.226 2.195 2.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 73 GLY H 1 75 LEU QD 5.000 . 5.000 2.824 2.087 3.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 73 GLY QA 1 75 LEU QD 5.000 . 5.000 3.481 3.003 3.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
557 1 74 ASN H 1 75 LEU H 5.000 . 5.000 4.081 3.377 4.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 74 ASN HA 1 75 LEU H 2.800 . 2.800 2.331 2.256 2.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 74 ASN QB 1 75 LEU H 5.000 . 5.000 3.822 3.515 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 74 ASN QB 1 75 LEU QD 5.000 . 5.000 3.935 3.337 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 74 ASN HA 1 87 LYS QB 5.000 . 5.000 5.030 4.752 5.068 0.068 34 0 "[ . 1 . 2 . 3 ]" 1
562 1 75 LEU H 1 75 LEU QD 3.500 . 3.500 3.016 2.335 3.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 75 LEU H 1 75 LEU HG 5.000 . 5.000 3.250 2.568 4.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 75 LEU H 1 76 ILE H 5.000 . 5.000 4.557 4.526 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 75 LEU HA 1 76 ILE H 2.800 . 2.800 2.485 2.362 2.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 75 LEU QB 1 76 ILE H 5.000 . 5.000 2.524 2.336 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 75 LEU QD 1 76 ILE H 5.000 . 5.000 3.551 3.290 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 75 LEU HG 1 84 ALA MB 5.000 . 5.000 4.566 3.560 4.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 75 LEU QD 1 84 ALA MB 2.800 . 2.800 2.749 2.129 2.845 0.045 8 0 "[ . 1 . 2 . 3 ]" 1
570 1 75 LEU QD 1 85 PHE H 5.000 . 5.000 4.291 3.920 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 75 LEU HA 1 86 CYS HA 3.500 . 3.500 1.918 1.865 1.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 75 LEU QB 1 86 CYS HA 3.500 . 3.500 3.493 3.246 3.619 0.119 14 0 "[ . 1 . 2 . 3 ]" 1
573 1 75 LEU QD 1 86 CYS H 5.000 . 5.000 3.618 3.117 4.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 75 LEU QD 1 86 CYS HA 3.500 . 3.500 2.134 1.823 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 75 LEU QD 1 86 CYS HB3 3.500 . 3.500 2.322 1.994 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 75 LEU QD 1 86 CYS HB2 5.000 . 5.000 2.242 1.921 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 75 LEU QD 1 87 LYS H 3.500 . 3.500 3.352 3.151 3.548 0.048 19 0 "[ . 1 . 2 . 3 ]" 1
578 1 75 LEU HA 1 87 LYS H 3.500 . 3.500 3.535 3.512 3.560 0.060 33 0 "[ . 1 . 2 . 3 ]" 1
579 1 75 LEU QD 1 88 LYS H 5.000 . 5.000 4.870 4.696 5.044 0.044 22 0 "[ . 1 . 2 . 3 ]" 1
580 1 76 ILE H 1 76 ILE MD 5.000 . 5.000 3.833 3.645 3.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 76 ILE HA 1 76 ILE MG 3.500 . 3.500 2.489 2.421 2.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 76 ILE H 1 76 ILE HB 3.500 . 3.500 2.408 2.317 2.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 76 ILE H 1 76 ILE QG 3.500 . 3.500 2.735 2.593 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 76 ILE HA 1 77 CYS H 2.300 . 2.300 2.322 2.299 2.365 0.065 33 0 "[ . 1 . 2 . 3 ]" 1
585 1 76 ILE HB 1 77 CYS H 5.000 . 5.000 4.462 4.047 4.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
586 1 76 ILE QG 1 77 CYS H 5.000 . 5.000 4.322 3.898 4.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 76 ILE MG 1 77 CYS H 5.000 . 5.000 3.297 2.287 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 76 ILE H 1 84 ALA HA 5.000 . 5.000 4.045 3.699 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 76 ILE H 1 84 ALA MB 5.000 . 5.000 3.304 3.042 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 76 ILE H 1 85 PHE H 3.500 . 3.500 2.631 2.345 3.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 76 ILE MG 1 85 PHE QD 5.000 . 5.000 4.640 4.426 4.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 76 ILE MD 1 85 PHE QD 5.000 . 5.000 5.067 5.031 5.119 0.119 34 0 "[ . 1 . 2 . 3 ]" 1
593 1 76 ILE H 1 86 CYS HA 5.000 . 5.000 3.510 3.187 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 76 ILE MD 1 87 LYS HA 5.000 . 5.000 3.588 3.310 3.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 76 ILE MD 1 90 ILE MG 3.500 . 3.500 3.398 3.229 3.517 0.017 27 0 "[ . 1 . 2 . 3 ]" 1
596 1 76 ILE MD 1 90 ILE MD 2.800 . 2.800 1.674 1.651 1.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 76 ILE MG 1 102 ILE MG 2.300 . 2.300 1.728 1.712 1.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 76 ILE MG 1 102 ILE MD 3.500 . 3.500 3.161 2.963 3.514 0.014 33 0 "[ . 1 . 2 . 3 ]" 1
599 1 76 ILE MD 1 102 ILE MG 3.500 . 3.500 2.443 2.063 2.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 76 ILE MD 1 102 ILE MD 3.500 . 3.500 2.299 1.996 2.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 76 ILE MD 1 103 MET QG 3.500 . 3.500 3.543 3.514 3.570 0.070 21 0 "[ . 1 . 2 . 3 ]" 1
602 1 76 ILE MD 1 103 MET QB 5.000 . 5.000 4.855 4.716 5.003 0.003 23 0 "[ . 1 . 2 . 3 ]" 1
603 1 76 ILE MG 1 109 TRP HD1 5.000 . 5.000 5.065 5.020 5.114 0.114 23 0 "[ . 1 . 2 . 3 ]" 1
604 1 76 ILE MG 1 109 TRP HE3 2.800 . 2.800 2.846 2.815 2.910 0.110 29 0 "[ . 1 . 2 . 3 ]" 1
605 1 76 ILE MG 1 109 TRP HZ3 2.800 . 2.800 2.782 2.584 2.822 0.022 26 0 "[ . 1 . 2 . 3 ]" 1
606 1 76 ILE MG 1 109 TRP HH2 3.500 . 3.500 3.478 3.171 3.544 0.044 17 0 "[ . 1 . 2 . 3 ]" 1
607 1 76 ILE MD 1 109 TRP HE1 5.000 . 5.000 4.969 4.713 5.031 0.031 4 0 "[ . 1 . 2 . 3 ]" 1
608 1 77 CYS H 1 77 CYS QB 3.500 . 3.500 2.236 2.147 2.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 77 CYS H 1 78 CYS H 5.000 . 5.000 4.716 4.573 4.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 77 CYS HA 1 78 CYS H 2.300 . 2.300 2.334 2.291 2.356 0.056 31 0 "[ . 1 . 2 . 3 ]" 1
611 1 77 CYS QB 1 78 CYS H 3.500 . 3.500 3.091 2.855 3.541 0.041 22 0 "[ . 1 . 2 . 3 ]" 1
612 1 77 CYS HA 1 83 ASN H 5.000 . 5.000 4.723 4.421 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 77 CYS H 1 84 ALA HA 5.000 . 5.000 4.395 4.133 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 77 CYS HA 1 84 ALA HA 2.300 . 2.300 2.378 2.348 2.419 0.119 23 0 "[ . 1 . 2 . 3 ]" 1
615 1 77 CYS HA 1 84 ALA MB 3.500 . 3.500 1.944 1.906 2.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 77 CYS QB 1 84 ALA HA 5.000 . 5.000 4.512 4.437 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 77 CYS QB 1 84 ALA MB 3.500 . 3.500 3.461 3.093 3.571 0.071 25 0 "[ . 1 . 2 . 3 ]" 1
618 1 77 CYS HA 1 85 PHE H 5.000 . 5.000 4.199 3.985 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 77 CYS HA 1 103 MET ME 5.000 . 5.000 4.453 4.355 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 77 CYS QB 1 103 MET ME 2.800 . 2.800 2.844 2.823 2.913 0.113 33 0 "[ . 1 . 2 . 3 ]" 1
621 1 78 CYS H 1 78 CYS HB3 2.800 . 2.800 2.461 2.439 2.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 78 CYS H 1 78 CYS HB2 2.800 . 2.800 2.805 2.778 2.824 0.024 11 0 "[ . 1 . 2 . 3 ]" 1
623 1 78 CYS HA 1 78 CYS HB2 2.800 . 2.800 2.484 2.476 2.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 78 CYS H 1 79 ASP H 5.000 . 5.000 4.614 4.571 4.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 78 CYS HA 1 79 ASP H 3.500 . 3.500 2.332 2.250 2.368 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 78 CYS HA 1 80 PHE H 5.000 . 5.000 4.223 4.105 4.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 78 CYS HB3 1 81 CYS H 3.500 . 3.500 3.436 3.266 3.518 0.018 33 0 "[ . 1 . 2 . 3 ]" 1
628 1 78 CYS HB2 1 81 CYS H 5.000 . 5.000 4.534 4.437 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 78 CYS H 1 84 ALA HA 3.500 . 3.500 3.187 2.936 3.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 78 CYS H 1 84 ALA MB 3.500 . 3.500 3.504 3.405 3.530 0.030 7 0 "[ . 1 . 2 . 3 ]" 1
631 1 79 ASP H 1 79 ASP QB 3.500 . 3.500 2.287 2.167 2.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
632 1 79 ASP H 1 80 PHE QD 5.000 . 5.000 3.714 3.114 3.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 79 ASP H 1 80 PHE QE 5.000 . 5.000 4.966 4.443 5.038 0.038 1 0 "[ . 1 . 2 . 3 ]" 1
634 1 79 ASP HA 1 80 PHE H 3.500 . 3.500 2.918 2.896 2.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 79 ASP H 1 109 TRP H 5.000 . 5.000 2.946 2.606 3.315 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 79 ASP H 1 109 TRP HE3 3.500 . 3.500 3.579 3.551 3.657 0.157 23 0 "[ . 1 . 2 . 3 ]" 1
637 1 80 PHE H 1 80 PHE QD 5.000 . 5.000 3.921 3.629 3.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 80 PHE H 1 81 CYS H 3.500 . 3.500 2.372 2.328 2.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
639 1 80 PHE HA 1 81 CYS H 5.000 . 5.000 3.632 3.626 3.640 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 80 PHE QD 1 108 GLN HA 5.000 . 5.000 4.842 4.499 5.010 0.010 24 0 "[ . 1 . 2 . 3 ]" 1
641 1 80 PHE QD 1 108 GLN QB 5.000 . 5.000 4.697 4.092 5.064 0.064 28 0 "[ . 1 . 2 . 3 ]" 1
642 1 80 PHE QD 1 108 GLN QG 5.000 . 5.000 4.781 4.211 5.086 0.086 8 0 "[ . 1 . 2 . 3 ]" 1
643 1 80 PHE QE 1 108 GLN QB 3.500 . 3.500 3.032 2.518 3.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 80 PHE QE 1 108 GLN QG 3.500 . 3.500 3.253 2.988 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 80 PHE HZ 1 108 GLN QG 2.800 . 2.800 2.728 2.418 2.814 0.014 21 0 "[ . 1 . 2 . 3 ]" 1
646 1 80 PHE QD 1 110 TYR HA 5.000 . 5.000 2.221 2.042 2.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 80 PHE QD 1 110 TYR QD 5.000 . 5.000 3.609 3.494 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 80 PHE QD 1 110 TYR QE 5.000 . 5.000 3.907 3.774 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 80 PHE QE 1 110 TYR HA 3.500 . 3.500 3.548 3.518 3.566 0.066 4 0 "[ . 1 . 2 . 3 ]" 1
650 1 80 PHE QE 1 110 TYR QD 2.800 . 2.800 2.605 2.395 2.817 0.017 17 0 "[ . 1 . 2 . 3 ]" 1
651 1 80 PHE QE 1 110 TYR QE 2.800 . 2.800 2.862 2.837 2.890 0.090 4 0 "[ . 1 . 2 . 3 ]" 1
652 1 80 PHE HZ 1 110 TYR QE 3.500 . 3.500 2.801 2.611 2.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 81 CYS HA 1 81 CYS HB2 2.800 . 2.800 2.441 2.437 2.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 81 CYS HA 1 81 CYS HB3 2.800 . 2.800 2.494 2.486 2.503 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 81 CYS H 1 81 CYS HB3 2.800 . 2.800 2.721 2.690 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
656 1 81 CYS HA 1 82 HIS H 3.500 . 3.500 3.180 3.042 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 81 CYS H 1 82 HIS H 2.800 . 2.800 2.808 2.757 2.886 0.086 15 0 "[ . 1 . 2 . 3 ]" 1
658 1 81 CYS HB2 1 82 HIS H 5.000 . 5.000 4.551 4.527 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 81 CYS H 1 113 ILE HB 5.000 . 5.000 5.144 5.109 5.176 0.176 30 0 "[ . 1 . 2 . 3 ]" 1
660 1 81 CYS HB2 1 114 CYS H 5.000 . 5.000 4.628 4.353 4.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 82 HIS H 1 82 HIS QB 3.500 . 3.500 2.999 2.751 3.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 82 HIS H 1 83 ASN H 3.500 . 3.500 3.195 3.047 3.304 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 82 HIS HA 1 83 ASN H 2.800 . 2.800 2.677 2.554 2.816 0.016 4 0 "[ . 1 . 2 . 3 ]" 1
664 1 82 HIS QB 1 83 ASN H 5.000 . 5.000 3.977 3.918 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 83 ASN H 1 83 ASN QB 3.500 . 3.500 2.649 2.541 2.690 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 83 ASN H 1 84 ALA H 5.000 . 5.000 4.440 4.393 4.480 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 83 ASN HA 1 84 ALA H 2.800 . 2.800 2.656 2.450 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 83 ASN QB 1 84 ALA H 3.500 . 3.500 2.322 2.139 2.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 84 ALA H 1 84 ALA MB 3.500 . 3.500 2.598 2.417 2.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 84 ALA HA 1 85 PHE H 2.300 . 2.300 2.309 2.268 2.363 0.063 16 0 "[ . 1 . 2 . 3 ]" 1
671 1 84 ALA HA 1 85 PHE QD 5.000 . 5.000 3.843 3.606 4.194 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 84 ALA MB 1 85 PHE H 3.500 . 3.500 3.098 2.877 3.533 0.033 19 0 "[ . 1 . 2 . 3 ]" 1
673 1 85 PHE HA 1 85 PHE HB3 2.800 . 2.800 2.657 2.628 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 85 PHE H 1 85 PHE HB2 2.800 . 2.800 2.237 2.182 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 85 PHE HA 1 85 PHE QE 5.000 . 5.000 4.396 4.358 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
676 1 85 PHE H 1 85 PHE QD 5.000 . 5.000 2.946 2.329 3.159 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 85 PHE H 1 86 CYS H 5.000 . 5.000 4.553 4.502 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 85 PHE HA 1 86 CYS H 3.500 . 3.500 2.663 2.264 2.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 85 PHE QD 1 86 CYS H 5.000 . 5.000 3.131 2.932 3.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 85 PHE QB 1 109 TRP HH2 3.500 . 3.500 2.529 2.122 2.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 85 PHE QD 1 109 TRP HZ2 5.000 . 5.000 4.654 4.489 5.009 0.009 19 0 "[ . 1 . 2 . 3 ]" 1
682 1 85 PHE QD 1 113 ILE QG 5.000 . 5.000 4.267 4.016 4.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 85 PHE QE 1 113 ILE QG 2.800 . 2.800 2.273 1.967 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 85 PHE QE 1 113 ILE MG 5.000 . 5.000 4.675 4.381 4.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 85 PHE QE 1 113 ILE MD 3.500 . 3.500 3.424 3.341 3.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
686 1 85 PHE HZ 1 113 ILE QG 2.800 . 2.800 2.018 1.973 2.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 85 PHE HZ 1 113 ILE MG 5.000 . 5.000 4.695 4.616 4.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 85 PHE HZ 1 113 ILE MD 2.300 . 2.300 2.338 2.312 2.360 0.060 18 0 "[ . 1 . 2 . 3 ]" 1
689 1 85 PHE QE 1 119 LEU QD 5.000 . 5.000 4.987 4.899 5.039 0.039 23 0 "[ . 1 . 2 . 3 ]" 1
690 1 85 PHE HZ 1 119 LEU QD 5.000 . 5.000 5.000 4.893 5.034 0.034 30 0 "[ . 1 . 2 . 3 ]" 1
691 1 86 CYS H 1 86 CYS HB3 2.800 . 2.800 2.709 2.336 2.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 86 CYS HA 1 86 CYS HB2 2.800 . 2.800 2.356 2.324 2.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 86 CYS HA 1 86 CYS HB3 2.800 . 2.800 2.586 2.525 2.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 86 CYS HA 1 87 LYS H 3.500 . 3.500 2.510 2.443 2.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 86 CYS QB 1 87 LYS H 2.800 . 2.800 2.652 2.366 2.803 0.003 6 0 "[ . 1 . 2 . 3 ]" 1
696 1 86 CYS HB2 1 89 CYS H 5.000 . 5.000 4.585 4.505 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 87 LYS H 1 87 LYS QB 3.500 . 3.500 2.227 2.113 2.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 87 LYS H 1 88 LYS H 2.800 . 2.800 2.641 2.495 2.733 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 87 LYS H 1 89 CYS H 5.000 . 5.000 4.288 4.183 4.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 87 LYS HA 1 89 CYS H 5.000 . 5.000 3.944 3.881 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 87 LYS HA 1 90 ILE H 5.000 . 5.000 3.473 3.253 3.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 87 LYS HA 1 90 ILE MD 3.500 . 3.500 2.913 2.303 3.516 0.016 19 0 "[ . 1 . 2 . 3 ]" 1
703 1 87 LYS HA 1 91 LEU H 5.000 . 5.000 3.881 3.546 4.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 88 LYS H 1 89 CYS H 2.800 . 2.800 2.793 2.510 2.850 0.050 6 0 "[ . 1 . 2 . 3 ]" 1
705 1 88 LYS HA 1 89 CYS H 3.500 . 3.500 3.529 3.484 3.547 0.047 6 0 "[ . 1 . 2 . 3 ]" 1
706 1 88 LYS QB 1 89 CYS H 3.500 . 3.500 3.025 2.900 3.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 88 LYS H 1 90 ILE H 5.000 . 5.000 4.506 4.363 4.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 88 LYS HA 1 91 LEU H 5.000 . 5.000 3.810 3.571 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 88 LYS HA 1 91 LEU QB 5.000 . 5.000 2.800 2.551 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 88 LYS HA 1 91 LEU QD 3.500 . 3.500 3.359 2.987 3.510 0.010 17 0 "[ . 1 . 2 . 3 ]" 1
711 1 88 LYS HA 1 92 ARG H 5.000 . 5.000 4.315 4.238 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
712 1 89 CYS H 1 89 CYS HB2 2.800 . 2.800 2.208 2.167 2.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 89 CYS HA 1 89 CYS HB3 2.800 . 2.800 2.635 2.581 2.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 89 CYS H 1 90 ILE H 2.800 . 2.800 2.407 2.373 2.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 89 CYS HA 1 90 ILE H 5.000 . 5.000 3.595 3.593 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 89 CYS HB2 1 90 ILE H 2.800 . 2.800 2.740 2.630 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 89 CYS HB3 1 90 ILE H 5.000 . 5.000 3.431 3.324 3.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 89 CYS H 1 91 LEU H 5.000 . 5.000 3.835 3.767 3.928 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 89 CYS HA 1 92 ARG H 3.500 . 3.500 3.560 3.532 3.582 0.082 15 0 "[ . 1 . 2 . 3 ]" 1
720 1 89 CYS HA 1 93 ASN H 5.000 . 5.000 4.529 4.392 4.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
721 1 90 ILE HA 1 90 ILE MG 3.500 . 3.500 2.348 2.302 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
722 1 90 ILE H 1 90 ILE HB 3.500 . 3.500 2.438 2.395 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 90 ILE HB 1 90 ILE MD 3.500 . 3.500 2.265 2.172 2.382 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 90 ILE H 1 91 LEU H 2.800 . 2.800 2.607 2.583 2.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
725 1 90 ILE MG 1 93 ASN H 5.000 . 5.000 4.255 4.153 4.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 90 ILE QG 1 93 ASN H 5.000 . 5.000 5.053 5.031 5.094 0.094 9 0 "[ . 1 . 2 . 3 ]" 1
727 1 90 ILE MG 1 93 ASN QB 3.500 . 3.500 3.526 3.503 3.547 0.047 26 0 "[ . 1 . 2 . 3 ]" 1
728 1 90 ILE HA 1 94 LEU H 5.000 . 5.000 3.287 3.192 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 90 ILE HA 1 94 LEU QD 3.500 . 3.500 3.304 2.045 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
730 1 90 ILE HB 1 99 LEU QD 3.500 . 3.500 1.979 1.852 2.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
731 1 90 ILE MG 1 99 LEU H 3.500 . 3.500 3.485 3.358 3.545 0.045 28 0 "[ . 1 . 2 . 3 ]" 1
732 1 90 ILE MG 1 99 LEU QB 3.500 . 3.500 2.603 2.341 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 90 ILE MG 1 99 LEU HG 2.800 . 2.800 2.777 2.502 2.825 0.025 8 0 "[ . 1 . 2 . 3 ]" 1
734 1 90 ILE QG 1 99 LEU QD 3.500 . 3.500 2.402 2.069 2.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 90 ILE MD 1 99 LEU QB 3.500 . 3.500 3.451 3.284 3.526 0.026 32 0 "[ . 1 . 2 . 3 ]" 1
736 1 90 ILE MG 1 102 ILE MD 3.500 . 3.500 2.597 2.389 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 90 ILE MD 1 102 ILE MD 3.500 . 3.500 2.546 2.198 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
738 1 91 LEU H 1 91 LEU HA 2.800 . 2.800 2.859 2.847 2.871 0.071 29 0 "[ . 1 . 2 . 3 ]" 1
739 1 91 LEU H 1 91 LEU QB 3.500 . 3.500 2.192 2.114 2.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
740 1 91 LEU HA 1 91 LEU HG 3.500 . 3.500 2.762 2.274 3.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 91 LEU HA 1 91 LEU QD 3.500 . 3.500 2.179 1.942 2.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
742 1 91 LEU H 1 92 ARG H 2.800 . 2.800 2.782 2.740 2.816 0.016 32 0 "[ . 1 . 2 . 3 ]" 1
743 1 91 LEU HA 1 92 ARG H 5.000 . 5.000 3.596 3.592 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
744 1 91 LEU HA 1 94 LEU H 5.000 . 5.000 3.952 3.865 4.086 . 0 0 "[ . 1 . 2 . 3 ]" 1
745 1 91 LEU HA 1 95 GLY H 2.800 . 2.800 2.842 2.805 2.865 0.065 31 0 "[ . 1 . 2 . 3 ]" 1
746 1 91 LEU QD 1 95 GLY H 3.500 . 3.500 3.518 3.471 3.552 0.052 23 0 "[ . 1 . 2 . 3 ]" 1
747 1 91 LEU QD 1 96 ARG H 3.500 . 3.500 2.837 2.374 3.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
748 1 91 LEU H 1 99 LEU QD 3.500 . 3.500 3.506 3.201 3.560 0.060 6 0 "[ . 1 . 2 . 3 ]" 1
749 1 91 LEU HA 1 99 LEU QD 5.000 . 5.000 4.396 4.007 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
750 1 92 ARG H 1 92 ARG QB 3.500 . 3.500 2.217 2.089 2.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 92 ARG H 1 93 ASN H 2.800 . 2.800 2.552 2.513 2.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 92 ARG HA 1 93 ASN H 3.500 . 3.500 3.519 3.510 3.534 0.034 12 0 "[ . 1 . 2 . 3 ]" 1
753 1 92 ARG QB 1 93 ASN H 5.000 . 5.000 3.106 3.062 3.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
754 1 92 ARG HA 1 94 LEU H 5.000 . 5.000 4.927 4.862 5.026 0.026 12 0 "[ . 1 . 2 . 3 ]" 1
755 1 92 ARG HA 1 95 GLY H 5.000 . 5.000 4.356 4.266 4.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
756 1 93 ASN H 1 93 ASN QB 3.500 . 3.500 2.311 2.208 2.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
757 1 93 ASN H 1 94 LEU H 3.500 . 3.500 2.342 2.327 2.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 93 ASN HA 1 94 LEU H 3.500 . 3.500 3.597 3.590 3.605 0.105 12 0 "[ . 1 . 2 . 3 ]" 1
759 1 93 ASN H 1 95 GLY H 3.500 . 3.500 3.556 3.514 3.580 0.080 34 0 "[ . 1 . 2 . 3 ]" 1
760 1 93 ASN HA 1 95 GLY H 5.000 . 5.000 4.955 4.913 4.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
761 1 93 ASN H 1 122 LEU QD 5.000 . 5.000 5.029 4.867 5.077 0.077 24 0 "[ . 1 . 2 . 3 ]" 1
762 1 93 ASN HA 1 122 LEU QD 5.000 . 5.000 3.302 3.103 3.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 93 ASN QB 1 122 LEU QD 3.500 . 3.500 3.101 2.809 3.530 0.030 23 0 "[ . 1 . 2 . 3 ]" 1
764 1 94 LEU H 1 95 GLY H 2.800 . 2.800 2.286 2.255 2.310 . 0 0 "[ . 1 . 2 . 3 ]" 1
765 1 94 LEU HA 1 95 GLY H 3.500 . 3.500 3.135 3.074 3.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
766 1 94 LEU QD 1 95 GLY H 3.500 . 3.500 3.507 3.212 3.642 0.142 12 0 "[ . 1 . 2 . 3 ]" 1
767 1 94 LEU QD 1 98 GLU H 3.500 . 3.500 3.317 3.150 3.539 0.039 12 0 "[ . 1 . 2 . 3 ]" 1
768 1 94 LEU QD 1 102 ILE MD 3.500 . 3.500 2.760 2.496 3.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
769 1 95 GLY H 1 96 ARG H 5.000 . 5.000 4.590 4.551 4.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
770 1 95 GLY QA 1 96 ARG H 3.500 . 3.500 2.335 2.329 2.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
771 1 95 GLY QA 1 97 LYS H 3.500 . 3.500 3.564 3.554 3.594 0.094 19 0 "[ . 1 . 2 . 3 ]" 1
772 1 96 ARG H 1 96 ARG QB 3.500 . 3.500 2.303 2.280 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
773 1 96 ARG HA 1 97 LYS H 3.500 . 3.500 3.566 3.561 3.571 0.071 19 0 "[ . 1 . 2 . 3 ]" 1
774 1 96 ARG QB 1 97 LYS H 2.800 . 2.800 2.838 2.818 2.850 0.050 7 0 "[ . 1 . 2 . 3 ]" 1
775 1 96 ARG HA 1 99 LEU H 3.500 . 3.500 3.266 3.063 3.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
776 1 96 ARG HA 1 100 SER H 5.000 . 5.000 4.953 4.718 5.024 0.024 26 0 "[ . 1 . 2 . 3 ]" 1
777 1 97 LYS HA 1 98 GLU H 5.000 . 5.000 3.625 3.587 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
778 1 97 LYS HA 1 99 LEU H 5.000 . 5.000 4.161 4.127 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
779 1 97 LYS HA 1 100 SER H 3.500 . 3.500 3.590 3.570 3.608 0.108 25 0 "[ . 1 . 2 . 3 ]" 1
780 1 97 LYS HA 1 100 SER QB 3.500 . 3.500 3.411 3.259 3.516 0.016 11 0 "[ . 1 . 2 . 3 ]" 1
781 1 98 GLU H 1 98 GLU HA 2.800 . 2.800 2.843 2.838 2.900 0.100 19 0 "[ . 1 . 2 . 3 ]" 1
782 1 98 GLU H 1 99 LEU H 2.800 . 2.800 2.809 2.567 2.828 0.028 23 0 "[ . 1 . 2 . 3 ]" 1
783 1 98 GLU HA 1 99 LEU H 3.500 . 3.500 3.560 3.556 3.566 0.066 12 0 "[ . 1 . 2 . 3 ]" 1
784 1 98 GLU QB 1 99 LEU H 3.500 . 3.500 2.820 2.736 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
785 1 98 GLU H 1 100 SER H 5.000 . 5.000 4.454 4.311 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
786 1 98 GLU HA 1 100 SER H 5.000 . 5.000 4.076 3.989 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
787 1 98 GLU HA 1 101 THR H 3.500 . 3.500 3.454 3.372 3.512 0.012 33 0 "[ . 1 . 2 . 3 ]" 1
788 1 98 GLU HA 1 101 THR HB 3.500 . 3.500 3.426 3.254 3.512 0.012 15 0 "[ . 1 . 2 . 3 ]" 1
789 1 98 GLU HA 1 102 ILE H 5.000 . 5.000 4.552 4.352 4.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 99 LEU HA 1 99 LEU HB2 2.800 . 2.800 2.637 2.621 2.648 . 0 0 "[ . 1 . 2 . 3 ]" 1
791 1 99 LEU H 1 99 LEU HB2 2.800 . 2.800 2.180 2.165 2.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
792 1 99 LEU H 1 99 LEU HB3 2.800 . 2.800 2.841 2.810 2.861 0.061 26 0 "[ . 1 . 2 . 3 ]" 1
793 1 99 LEU H 1 99 LEU HG 5.000 . 5.000 4.163 4.138 4.202 . 0 0 "[ . 1 . 2 . 3 ]" 1
794 1 99 LEU H 1 99 LEU QD 5.000 . 5.000 3.688 3.645 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
795 1 99 LEU H 1 100 SER H 2.800 . 2.800 2.825 2.812 2.845 0.045 28 0 "[ . 1 . 2 . 3 ]" 1
796 1 99 LEU H 1 101 THR H 5.000 . 5.000 4.631 4.495 4.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
797 1 99 LEU HA 1 101 THR H 5.000 . 5.000 4.735 4.585 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 99 LEU HA 1 102 ILE H 3.500 . 3.500 3.436 3.314 3.514 0.014 28 0 "[ . 1 . 2 . 3 ]" 1
799 1 99 LEU HA 1 102 ILE HB 3.500 . 3.500 2.743 2.425 3.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
800 1 100 SER H 1 101 THR H 2.800 . 2.800 2.812 2.774 2.842 0.042 29 0 "[ . 1 . 2 . 3 ]" 1
801 1 100 SER H 1 102 ILE H 5.000 . 5.000 4.023 3.947 4.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
802 1 100 SER HA 1 102 ILE H 5.000 . 5.000 4.210 4.093 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 100 SER HA 1 103 MET H 3.500 . 3.500 3.603 3.556 3.634 0.134 26 0 "[ . 1 . 2 . 3 ]" 1
804 1 100 SER HA 1 103 MET QB 3.500 . 3.500 3.382 3.107 3.505 0.005 24 0 "[ . 1 . 2 . 3 ]" 1
805 1 100 SER QB 1 103 MET H 5.000 . 5.000 4.948 4.818 5.049 0.049 28 0 "[ . 1 . 2 . 3 ]" 1
806 1 101 THR H 1 101 THR HB 3.500 . 3.500 2.688 2.563 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
807 1 101 THR H 1 101 THR HG1 3.500 . 3.500 2.798 2.319 2.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
808 1 101 THR H 1 102 ILE H 2.800 . 2.800 2.786 2.705 2.816 0.016 28 0 "[ . 1 . 2 . 3 ]" 1
809 1 101 THR HA 1 102 ILE H 3.500 . 3.500 3.567 3.561 3.575 0.075 33 0 "[ . 1 . 2 . 3 ]" 1
810 1 101 THR HB 1 102 ILE H 3.500 . 3.500 2.782 2.681 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 101 THR H 1 103 MET H 5.000 . 5.000 4.408 4.309 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 101 THR HA 1 103 MET H 5.000 . 5.000 4.055 3.891 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 101 THR HA 1 104 ASP H 3.500 . 3.500 3.548 3.399 3.570 0.070 4 0 "[ . 1 . 2 . 3 ]" 1
814 1 101 THR HA 1 104 ASP QB 3.500 . 3.500 3.075 2.561 3.505 0.005 21 0 "[ . 1 . 2 . 3 ]" 1
815 1 102 ILE H 1 102 ILE MD 3.500 . 3.500 3.482 3.410 3.519 0.019 21 0 "[ . 1 . 2 . 3 ]" 1
816 1 102 ILE HA 1 102 ILE MG 3.500 . 3.500 2.417 2.362 2.545 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 102 ILE HB 1 102 ILE MD 3.500 . 3.500 2.227 2.169 2.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
818 1 102 ILE H 1 103 MET H 2.800 . 2.800 2.821 2.795 2.843 0.043 26 0 "[ . 1 . 2 . 3 ]" 1
819 1 102 ILE HA 1 103 MET H 3.500 . 3.500 3.582 3.573 3.597 0.097 19 0 "[ . 1 . 2 . 3 ]" 1
820 1 102 ILE HB 1 103 MET H 5.000 . 5.000 2.833 2.601 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
821 1 102 ILE H 1 104 ASP H 5.000 . 5.000 4.330 4.209 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
822 1 102 ILE MG 1 105 GLU QB 5.000 . 5.000 4.909 3.821 5.061 0.061 11 0 "[ . 1 . 2 . 3 ]" 1
823 1 102 ILE QG 1 109 TRP HD1 3.500 . 3.500 2.872 2.603 3.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
824 1 102 ILE MG 1 109 TRP HD1 2.800 . 2.800 2.862 2.813 2.961 0.161 33 0 "[ . 1 . 2 . 3 ]" 1
825 1 102 ILE QG 1 109 TRP HE1 3.500 . 3.500 2.209 2.139 2.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 102 ILE MG 1 109 TRP HE1 3.500 . 3.500 2.794 2.608 2.886 . 0 0 "[ . 1 . 2 . 3 ]" 1
827 1 102 ILE MG 1 109 TRP HE3 3.500 . 3.500 3.577 3.535 3.619 0.119 21 0 "[ . 1 . 2 . 3 ]" 1
828 1 102 ILE MG 1 109 TRP HZ2 3.500 . 3.500 3.215 2.811 3.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
829 1 102 ILE MD 1 109 TRP HD1 5.000 . 5.000 4.177 3.901 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
830 1 102 ILE MD 1 109 TRP HE1 3.500 . 3.500 2.463 2.226 2.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
831 1 102 ILE MD 1 109 TRP HZ2 3.500 . 3.500 2.684 2.527 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
832 1 103 MET H 1 103 MET QB 3.500 . 3.500 2.165 2.106 2.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
833 1 103 MET H 1 103 MET QG 5.000 . 5.000 2.996 2.784 3.154 . 0 0 "[ . 1 . 2 . 3 ]" 1
834 1 103 MET H 1 104 ASP H 2.800 . 2.800 2.816 2.780 2.840 0.040 29 0 "[ . 1 . 2 . 3 ]" 1
835 1 103 MET HA 1 104 ASP H 3.500 . 3.500 3.229 3.122 3.561 0.061 19 0 "[ . 1 . 2 . 3 ]" 1
836 1 103 MET QB 1 104 ASP H 5.000 . 5.000 3.596 2.927 3.750 . 0 0 "[ . 1 . 2 . 3 ]" 1
837 1 103 MET QG 1 104 ASP H 5.000 . 5.000 4.721 4.513 4.819 . 0 0 "[ . 1 . 2 . 3 ]" 1
838 1 104 ASP H 1 104 ASP QB 3.500 . 3.500 2.685 2.161 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 104 ASP H 1 105 GLU H 3.500 . 3.500 3.013 2.643 3.811 0.311 29 0 "[ . 1 . 2 . 3 ]" 1
840 1 104 ASP HA 1 105 GLU H 2.800 . 2.800 2.626 2.506 2.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
841 1 104 ASP QB 1 105 GLU H 5.000 . 5.000 4.013 3.954 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 104 ASP HA 1 106 ASN H 5.000 . 5.000 4.719 3.323 5.056 0.056 15 0 "[ . 1 . 2 . 3 ]" 1
843 1 104 ASP HA 1 107 ASN H 5.000 . 5.000 4.580 4.205 5.028 0.028 29 0 "[ . 1 . 2 . 3 ]" 1
844 1 105 GLU H 1 105 GLU QB 3.500 . 3.500 2.441 2.225 2.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
845 1 105 GLU HA 1 106 ASN H 5.000 . 5.000 3.248 2.371 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
846 1 105 GLU H 1 106 ASN H 5.000 . 5.000 2.830 2.488 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
847 1 105 GLU HA 1 107 ASN H 5.000 . 5.000 4.796 3.656 5.139 0.139 12 0 "[ . 1 . 2 . 3 ]" 1
848 1 106 ASN H 1 106 ASN QB 3.500 . 3.500 2.800 2.181 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
849 1 106 ASN H 1 107 ASN H 2.800 . 2.800 2.601 2.325 2.908 0.108 29 0 "[ . 1 . 2 . 3 ]" 1
850 1 106 ASN HA 1 107 ASN H 3.500 . 3.500 2.997 2.901 3.567 0.067 29 0 "[ . 1 . 2 . 3 ]" 1
851 1 106 ASN QB 1 107 ASN H 5.000 . 5.000 3.794 2.796 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 1
852 1 106 ASN HA 1 108 GLN H 5.000 . 5.000 4.540 3.817 4.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
853 1 107 ASN H 1 107 ASN QB 3.500 . 3.500 2.922 2.308 3.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
854 1 107 ASN H 1 108 GLN H 3.500 . 3.500 2.940 2.886 3.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
855 1 107 ASN HA 1 108 GLN H 5.000 . 5.000 3.046 3.003 3.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
856 1 107 ASN QB 1 108 GLN H 5.000 . 5.000 3.808 3.777 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1
857 1 108 GLN H 1 108 GLN QB 3.500 . 3.500 2.828 2.414 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
858 1 108 GLN H 1 108 GLN QG 5.000 . 5.000 3.225 2.254 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
859 1 108 GLN H 1 109 TRP H 5.000 . 5.000 3.692 3.183 3.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
860 1 108 GLN HA 1 109 TRP H 2.800 . 2.800 2.343 2.249 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
861 1 109 TRP HA 1 109 TRP HB2 2.800 . 2.800 2.412 2.393 2.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
862 1 109 TRP H 1 109 TRP HB2 2.800 . 2.800 2.933 2.901 2.979 0.179 17 0 "[ . 1 . 2 . 3 ]" 1
863 1 109 TRP H 1 109 TRP HB3 2.800 . 2.800 2.311 2.245 2.356 . 0 0 "[ . 1 . 2 . 3 ]" 1
864 1 109 TRP HA 1 110 TYR H 2.300 . 2.300 2.253 2.234 2.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
865 1 109 TRP HA 1 110 TYR QD 5.000 . 5.000 4.260 4.125 4.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
866 1 109 TRP QB 1 110 TYR H 5.000 . 5.000 3.823 3.717 4.032 . 0 0 "[ . 1 . 2 . 3 ]" 1
867 1 109 TRP HD1 1 110 TYR H 5.000 . 5.000 3.181 2.792 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
868 1 109 TRP HZ2 1 112 TYR QE 3.500 . 3.500 3.526 3.470 3.549 0.049 6 0 "[ . 1 . 2 . 3 ]" 1
869 1 109 TRP HH2 1 112 TYR QE 3.500 . 3.500 3.519 3.476 3.546 0.046 19 0 "[ . 1 . 2 . 3 ]" 1
870 1 110 TYR HA 1 110 TYR HB3 2.800 . 2.800 2.725 2.707 2.750 . 0 0 "[ . 1 . 2 . 3 ]" 1
871 1 110 TYR H 1 110 TYR HB2 2.800 . 2.800 2.153 2.121 2.173 . 0 0 "[ . 1 . 2 . 3 ]" 1
872 1 110 TYR HA 1 110 TYR QE 5.000 . 5.000 4.351 4.316 4.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
873 1 110 TYR H 1 110 TYR QD 5.000 . 5.000 3.030 2.723 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
874 1 110 TYR H 1 111 CYS H 5.000 . 5.000 4.632 4.567 4.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
875 1 110 TYR HA 1 111 CYS H 2.800 . 2.800 2.452 2.315 2.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
876 1 110 TYR QD 1 114 CYS H 5.000 . 5.000 5.021 4.996 5.042 0.042 26 0 "[ . 1 . 2 . 3 ]" 1
877 1 110 TYR QD 1 114 CYS HA 5.000 . 5.000 4.785 4.610 4.874 . 0 0 "[ . 1 . 2 . 3 ]" 1
878 1 110 TYR QD 1 114 CYS HB3 2.300 . 2.300 2.209 2.025 2.321 0.021 29 0 "[ . 1 . 2 . 3 ]" 1
879 1 110 TYR QD 1 114 CYS HB2 2.800 . 2.800 2.764 2.709 2.803 0.003 6 0 "[ . 1 . 2 . 3 ]" 1
880 1 110 TYR QE 1 114 CYS HA 5.000 . 5.000 4.995 4.766 5.033 0.033 6 0 "[ . 1 . 2 . 3 ]" 1
881 1 110 TYR QE 1 114 CYS HB3 3.500 . 3.500 2.905 2.812 2.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
882 1 110 TYR QE 1 114 CYS HB2 5.000 . 5.000 4.410 4.296 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
883 1 110 TYR HA 1 115 HIS HD2 5.000 . 5.000 5.106 5.063 5.149 0.149 17 0 "[ . 1 . 2 . 3 ]" 1
884 1 110 TYR QB 1 115 HIS HD2 3.500 . 3.500 3.440 3.129 3.511 0.011 18 0 "[ . 1 . 2 . 3 ]" 1
885 1 110 TYR QD 1 115 HIS HE1 3.500 . 3.500 3.236 3.167 3.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
886 1 110 TYR QE 1 115 HIS HD2 5.000 . 5.000 4.916 4.623 5.008 0.008 28 0 "[ . 1 . 2 . 3 ]" 1
887 1 110 TYR QE 1 115 HIS HE1 3.500 . 3.500 3.528 3.512 3.570 0.070 15 0 "[ . 1 . 2 . 3 ]" 1
888 1 111 CYS H 1 117 GLU QB 5.000 . 5.000 5.052 5.014 5.074 0.074 29 0 "[ . 1 . 2 . 3 ]" 1
889 1 112 TYR QB 1 113 ILE H 3.500 . 3.500 2.635 2.507 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
890 1 112 TYR HA 1 119 LEU QD 3.500 . 3.500 2.311 2.065 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
891 1 112 TYR QB 1 119 LEU QD 2.800 . 2.800 2.086 1.925 2.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
892 1 113 ILE HA 1 113 ILE MG 3.500 . 3.500 2.332 2.284 2.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
893 1 113 ILE H 1 113 ILE QG 5.000 . 5.000 2.036 2.022 2.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
894 1 113 ILE H 1 113 ILE MD 5.000 . 5.000 3.102 3.054 3.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
895 1 113 ILE H 1 114 CYS H 3.500 . 3.500 2.705 2.590 2.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
896 1 113 ILE HA 1 114 CYS H 3.500 . 3.500 3.573 3.566 3.585 0.085 25 0 "[ . 1 . 2 . 3 ]" 1
897 1 113 ILE HB 1 114 CYS H 2.800 . 2.800 2.459 2.169 2.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
898 1 113 ILE H 1 115 HIS H 5.000 . 5.000 4.435 4.313 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
899 1 114 CYS H 1 114 CYS HB2 2.800 . 2.800 2.296 2.265 2.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
900 1 114 CYS H 1 114 CYS HB3 3.500 . 3.500 3.545 3.536 3.563 0.063 15 0 "[ . 1 . 2 . 3 ]" 1
901 1 114 CYS HA 1 114 CYS HB3 2.800 . 2.800 2.607 2.593 2.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
902 1 114 CYS H 1 115 HIS H 3.500 . 3.500 2.960 2.863 3.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
903 1 114 CYS HA 1 115 HIS H 5.000 . 5.000 3.607 3.600 3.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
904 1 114 CYS HB2 1 115 HIS H 2.800 . 2.800 2.470 2.393 2.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
905 1 114 CYS HB3 1 115 HIS H 3.500 . 3.500 3.217 3.063 3.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
906 1 115 HIS H 1 115 HIS QB 3.500 . 3.500 3.343 3.277 3.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
907 1 115 HIS HA 1 116 PRO QG 5.000 . 5.000 4.097 4.003 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
908 1 115 HIS HA 1 116 PRO QD 2.800 . 2.800 2.186 2.098 2.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
909 1 115 HIS HD2 1 116 PRO QD 5.000 . 5.000 4.731 4.682 4.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
910 1 116 PRO HA 1 117 GLU H 5.000 . 5.000 2.525 2.235 2.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
911 1 116 PRO QB 1 117 GLU H 5.000 . 5.000 3.944 3.358 4.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
912 1 116 PRO QG 1 117 GLU H 5.000 . 5.000 4.655 4.637 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
913 1 116 PRO QD 1 117 GLU H 5.000 . 5.000 4.433 4.339 5.001 0.001 15 0 "[ . 1 . 2 . 3 ]" 1
914 1 116 PRO HA 1 119 LEU QD 3.500 . 3.500 1.893 1.823 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
915 1 116 PRO QB 1 119 LEU QD 3.500 . 3.500 3.032 2.929 3.504 0.004 15 0 "[ . 1 . 2 . 3 ]" 1
916 1 117 GLU H 1 118 PRO HA 5.000 . 5.000 5.045 4.681 5.093 0.093 16 0 "[ . 1 . 2 . 3 ]" 1
917 1 117 GLU H 1 118 PRO QD 5.000 . 5.000 2.037 2.025 2.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
918 1 117 GLU H 1 120 LEU QD 5.000 . 5.000 4.231 2.842 5.006 0.006 21 0 "[ . 1 . 2 . 3 ]" 1
919 1 117 GLU HA 1 120 LEU QD 5.000 . 5.000 3.137 2.718 3.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
920 1 118 PRO HA 1 119 LEU H 3.500 . 3.500 3.183 3.124 3.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
921 1 118 PRO HA 1 120 LEU QD 5.000 . 5.000 5.040 5.015 5.070 0.070 32 0 "[ . 1 . 2 . 3 ]" 1
922 1 119 LEU H 1 119 LEU QD 3.500 . 3.500 2.017 2.009 2.024 . 0 0 "[ . 1 . 2 . 3 ]" 1
923 1 119 LEU HA 1 119 LEU QD 3.500 . 3.500 3.340 3.326 3.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
924 1 119 LEU HA 1 119 LEU HB2 2.800 . 2.800 2.402 2.382 2.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
925 1 119 LEU HA 1 119 LEU HB3 2.800 . 2.800 2.534 2.522 2.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
926 1 119 LEU H 1 119 LEU HB3 3.500 . 3.500 3.206 3.105 3.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
927 1 119 LEU H 1 119 LEU HG 5.000 . 5.000 3.267 2.990 3.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
928 1 119 LEU H 1 120 LEU H 2.800 . 2.800 2.311 2.300 2.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
929 1 119 LEU H 1 120 LEU HA 5.000 . 5.000 4.235 4.210 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
930 1 119 LEU H 1 120 LEU QD 5.000 . 5.000 3.433 3.044 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
931 1 119 LEU HA 1 120 LEU H 3.500 . 3.500 2.991 2.961 3.074 . 0 0 "[ . 1 . 2 . 3 ]" 1
932 1 119 LEU QB 1 120 LEU H 5.000 . 5.000 4.115 4.099 4.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
933 1 119 LEU QD 1 120 LEU H 3.500 . 3.500 3.572 3.514 3.640 0.140 22 0 "[ . 1 . 2 . 3 ]" 1
934 1 119 LEU QD 1 120 LEU QD 5.000 . 5.000 3.406 3.026 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
935 1 119 LEU H 1 121 ASP H 5.000 . 5.000 4.952 4.827 5.034 0.034 7 0 "[ . 1 . 2 . 3 ]" 1
936 1 119 LEU HA 1 122 LEU H 3.500 . 3.500 3.255 3.106 3.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
937 1 119 LEU HA 1 122 LEU QB 3.500 . 3.500 3.063 2.829 3.522 0.022 16 0 "[ . 1 . 2 . 3 ]" 1
938 1 119 LEU QD 1 122 LEU HG 5.000 . 5.000 4.766 4.459 5.038 0.038 16 0 "[ . 1 . 2 . 3 ]" 1
939 1 119 LEU QD 1 122 LEU QD 2.800 . 2.800 2.756 2.378 2.870 0.070 31 0 "[ . 1 . 2 . 3 ]" 1
940 1 120 LEU HA 1 120 LEU QD 3.500 . 3.500 1.930 1.815 2.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
941 1 120 LEU H 1 120 LEU QB 3.500 . 3.500 2.098 2.065 2.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
942 1 120 LEU H 1 120 LEU QD 5.000 . 5.000 2.784 2.460 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
943 1 120 LEU H 1 121 ASP H 2.800 . 2.800 2.811 2.708 2.843 0.043 26 0 "[ . 1 . 2 . 3 ]" 1
944 1 120 LEU HA 1 121 ASP H 3.500 . 3.500 3.592 3.580 3.602 0.102 24 0 "[ . 1 . 2 . 3 ]" 1
945 1 120 LEU QB 1 121 ASP H 3.500 . 3.500 2.557 2.429 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
946 1 120 LEU QD 1 121 ASP H 5.000 . 5.000 3.901 3.787 4.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
947 1 120 LEU HA 1 122 LEU H 5.000 . 5.000 4.292 4.205 4.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
948 1 120 LEU HA 1 123 VAL H 3.500 . 3.500 3.374 3.170 3.514 0.014 28 0 "[ . 1 . 2 . 3 ]" 1
949 1 120 LEU HA 1 123 VAL HB 3.500 . 3.500 2.854 2.473 3.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
950 1 120 LEU HA 1 123 VAL QG 5.000 . 5.000 2.955 2.682 3.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
951 1 120 LEU QB 1 123 VAL H 5.000 . 5.000 4.868 4.642 5.079 0.079 28 0 "[ . 1 . 2 . 3 ]" 1
952 1 120 LEU QD 1 124 THR MG 3.500 . 3.500 3.538 3.513 3.564 0.064 3 0 "[ . 1 . 2 . 3 ]" 1
953 1 121 ASP H 1 121 ASP QB 3.500 . 3.500 2.271 2.116 2.480 . 0 0 "[ . 1 . 2 . 3 ]" 1
954 1 121 ASP H 1 122 LEU H 2.800 . 2.800 2.800 2.681 2.832 0.032 21 0 "[ . 1 . 2 . 3 ]" 1
955 1 121 ASP HA 1 122 LEU H 3.500 . 3.500 3.574 3.565 3.587 0.087 14 0 "[ . 1 . 2 . 3 ]" 1
956 1 121 ASP QB 1 122 LEU H 5.000 . 5.000 2.735 2.531 3.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
957 1 121 ASP HA 1 123 VAL H 5.000 . 5.000 4.516 4.412 4.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
958 1 121 ASP HA 1 124 THR H 3.500 . 3.500 3.471 3.397 3.535 0.035 28 0 "[ . 1 . 2 . 3 ]" 1
959 1 121 ASP HA 1 124 THR HB 3.500 . 3.500 3.309 2.669 3.741 0.241 5 0 "[ . 1 . 2 . 3 ]" 1
960 1 121 ASP HA 1 124 THR MG 5.000 . 5.000 4.070 3.196 4.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
961 1 121 ASP QB 1 124 THR H 5.000 . 5.000 4.972 4.875 5.029 0.029 25 0 "[ . 1 . 2 . 3 ]" 1
962 1 122 LEU HA 1 122 LEU QD 3.500 . 3.500 2.147 1.925 2.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
963 1 122 LEU H 1 122 LEU HG 5.000 . 5.000 4.029 2.536 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
964 1 122 LEU H 1 123 VAL H 2.800 . 2.800 2.715 2.617 2.810 0.010 1 0 "[ . 1 . 2 . 3 ]" 1
965 1 122 LEU HA 1 123 VAL H 3.500 . 3.500 3.583 3.577 3.599 0.099 28 0 "[ . 1 . 2 . 3 ]" 1
966 1 122 LEU HA 1 125 ALA H 3.500 . 3.500 3.597 3.555 3.639 0.139 12 0 "[ . 1 . 2 . 3 ]" 1
967 1 122 LEU HA 1 125 ALA MB 3.500 . 3.500 2.770 2.471 3.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
968 1 122 LEU QB 1 125 ALA H 5.000 . 5.000 4.967 4.904 5.029 0.029 6 0 "[ . 1 . 2 . 3 ]" 1
969 1 122 LEU QB 1 125 ALA MB 5.000 . 5.000 4.483 4.308 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
970 1 123 VAL H 1 123 VAL HB 3.500 . 3.500 2.446 2.348 2.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
971 1 123 VAL H 1 123 VAL QG 3.500 . 3.500 2.230 2.093 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
972 1 123 VAL H 1 124 THR H 2.800 . 2.800 2.636 2.564 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
973 1 123 VAL HA 1 124 THR H 3.500 . 3.500 3.585 3.567 3.595 0.095 25 0 "[ . 1 . 2 . 3 ]" 1
974 1 123 VAL HB 1 124 THR H 3.500 . 3.500 2.599 2.432 2.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
975 1 123 VAL QG 1 124 THR H 3.500 . 3.500 3.249 3.144 3.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
976 1 123 VAL H 1 125 ALA H 5.000 . 5.000 4.071 3.933 4.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
977 1 123 VAL HA 1 126 CYS H 3.500 . 3.500 3.433 3.335 3.630 0.130 28 0 "[ . 1 . 2 . 3 ]" 1
978 1 123 VAL HA 1 126 CYS QB 3.500 . 3.500 2.900 2.781 3.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
979 1 123 VAL QG 1 126 CYS H 5.000 . 5.000 4.230 4.125 4.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
980 1 123 VAL HA 1 127 ASN H 5.000 . 5.000 4.774 3.521 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
981 1 123 VAL QG 1 127 ASN H 5.000 . 5.000 4.340 3.953 4.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
982 1 124 THR HA 1 124 THR MG 3.500 . 3.500 2.030 1.964 2.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
983 1 124 THR H 1 124 THR HB 3.500 . 3.500 3.172 2.681 3.522 0.022 14 0 "[ . 1 . 2 . 3 ]" 1
984 1 124 THR H 1 125 ALA H 2.800 . 2.800 2.698 2.553 2.802 0.002 5 0 "[ . 1 . 2 . 3 ]" 1
985 1 124 THR HB 1 125 ALA H 3.500 . 3.500 2.981 2.798 3.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
986 1 124 THR HB 1 125 ALA MB 5.000 . 5.000 4.148 3.810 4.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
987 1 124 THR HG1 1 125 ALA H 5.000 . 5.000 3.609 2.330 3.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
988 1 124 THR HA 1 127 ASN H 5.000 . 5.000 3.690 3.500 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
989 1 124 THR HA 1 127 ASN QB 5.000 . 5.000 3.346 3.034 3.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
990 1 124 THR MG 1 127 ASN H 5.000 . 5.000 4.951 4.770 5.154 0.154 28 0 "[ . 1 . 2 . 3 ]" 1
991 1 124 THR MG 1 127 ASN QB 5.000 . 5.000 3.933 3.650 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
992 1 125 ALA H 1 125 ALA MB 3.500 . 3.500 2.166 2.101 2.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
993 1 125 ALA H 1 126 CYS H 2.800 . 2.800 2.687 2.370 2.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
994 1 125 ALA HA 1 126 CYS H 3.500 . 3.500 3.565 3.556 3.573 0.073 13 0 "[ . 1 . 2 . 3 ]" 1
995 1 125 ALA MB 1 126 CYS H 3.500 . 3.500 2.750 2.650 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
996 1 125 ALA H 1 127 ASN H 5.000 . 5.000 4.607 3.841 4.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
997 1 125 ALA MB 1 127 ASN H 5.000 . 5.000 4.832 4.551 4.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
998 1 125 ALA HA 1 128 SER H 3.500 . 3.500 3.439 3.311 3.566 0.066 28 0 "[ . 1 . 2 . 3 ]" 1
999 1 125 ALA HA 1 128 SER QB 3.500 . 3.500 2.692 2.412 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
1000 1 125 ALA MB 1 128 SER H 5.000 . 5.000 4.641 4.537 4.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
1001 1 125 ALA MB 1 128 SER QB 5.000 . 5.000 3.938 3.798 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
1002 1 125 ALA MB 1 129 VAL H 5.000 . 5.000 4.356 4.227 5.109 0.109 28 0 "[ . 1 . 2 . 3 ]" 1
1003 1 126 CYS HA 1 126 CYS HB2 2.800 . 2.800 2.495 2.474 2.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
1004 1 126 CYS H 1 126 CYS HB2 2.800 . 2.800 2.482 2.146 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
1005 1 126 CYS H 1 126 CYS HB3 2.800 . 2.800 2.519 2.464 2.986 0.186 28 0 "[ . 1 . 2 . 3 ]" 1
1006 1 126 CYS H 1 127 ASN H 2.800 . 2.800 2.840 2.444 2.870 0.070 27 0 "[ . 1 . 2 . 3 ]" 1
1007 1 126 CYS QB 1 127 ASN H 3.500 . 3.500 2.358 2.248 2.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
1008 1 126 CYS QB 1 128 SER H 5.000 . 5.000 4.658 4.573 4.845 . 0 0 "[ . 1 . 2 . 3 ]" 1
1009 1 126 CYS HA 1 129 VAL H 3.500 . 3.500 3.512 3.412 3.542 0.042 33 0 "[ . 1 . 2 . 3 ]" 1
1010 1 126 CYS HA 1 129 VAL HB 3.500 . 3.500 2.820 2.641 3.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
1011 1 126 CYS HA 1 129 VAL QG 3.500 . 3.500 3.287 2.309 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
1012 1 127 ASN HA 1 127 ASN HB3 2.800 . 2.800 2.600 2.500 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
1013 1 127 ASN H 1 127 ASN HB2 2.800 . 2.800 2.300 2.179 2.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
1014 1 127 ASN H 1 128 SER H 2.800 . 2.800 2.766 2.565 2.801 0.001 22 0 "[ . 1 . 2 . 3 ]" 1
1015 1 127 ASN HA 1 128 SER H 3.500 . 3.500 3.580 3.577 3.586 0.086 28 0 "[ . 1 . 2 . 3 ]" 1
1016 1 127 ASN QB 1 128 SER H 3.500 . 3.500 2.631 2.557 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
1017 1 127 ASN H 1 129 VAL H 5.000 . 5.000 4.206 4.127 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
1018 1 127 ASN HA 1 130 PHE H 3.500 . 3.500 3.565 3.386 3.597 0.097 5 0 "[ . 1 . 2 . 3 ]" 1
1019 1 127 ASN HA 1 130 PHE QB 3.500 . 3.500 2.930 2.846 3.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
1020 1 127 ASN HA 1 130 PHE QD 5.000 . 5.000 4.548 3.664 4.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
1021 1 127 ASN QB 1 130 PHE H 5.000 . 5.000 4.998 4.761 5.029 0.029 14 0 "[ . 1 . 2 . 3 ]" 1
1022 1 127 ASN HA 1 131 GLU H 5.000 . 5.000 3.709 3.620 4.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
1023 1 128 SER H 1 128 SER QB 3.500 . 3.500 2.325 2.121 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
1024 1 128 SER H 1 129 VAL H 2.800 . 2.800 2.645 2.597 2.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
1025 1 128 SER HA 1 129 VAL H 3.500 . 3.500 3.577 3.570 3.583 0.083 28 0 "[ . 1 . 2 . 3 ]" 1
1026 1 128 SER QB 1 129 VAL QG 3.500 . 3.500 2.904 2.772 3.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
1027 1 128 SER QB 1 130 PHE H 5.000 . 5.000 4.803 4.760 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 1
1028 1 128 SER HA 1 131 GLU H 3.500 . 3.500 3.562 3.244 3.602 0.102 33 0 "[ . 1 . 2 . 3 ]" 1
1029 1 128 SER HA 1 131 GLU QB 3.500 . 3.500 2.633 2.542 2.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
1030 1 128 SER QB 1 131 GLU H 5.000 . 5.000 4.942 4.890 5.003 0.003 8 0 "[ . 1 . 2 . 3 ]" 1
1031 1 129 VAL H 1 129 VAL QG 3.500 . 3.500 2.212 2.095 2.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
1032 1 129 VAL H 1 130 PHE H 2.800 . 2.800 2.537 2.485 2.830 0.030 28 0 "[ . 1 . 2 . 3 ]" 1
1033 1 129 VAL HA 1 130 PHE H 3.500 . 3.500 3.586 3.583 3.590 0.090 32 0 "[ . 1 . 2 . 3 ]" 1
1034 1 129 VAL HB 1 130 PHE H 5.000 . 5.000 2.659 2.575 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
1035 1 129 VAL QG 1 130 PHE H 5.000 . 5.000 3.264 3.199 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
1036 1 129 VAL QG 1 130 PHE HA 3.500 . 3.500 3.517 3.434 3.562 0.062 23 0 "[ . 1 . 2 . 3 ]" 1
1037 1 129 VAL HA 1 132 ASN H 3.500 . 3.500 3.636 3.567 3.663 0.163 7 0 "[ . 1 . 2 . 3 ]" 1
1038 1 129 VAL HA 1 132 ASN QB 3.500 . 3.500 3.277 3.055 3.439 . 0 0 "[ . 1 . 2 . 3 ]" 1
1039 1 130 PHE H 1 130 PHE QB 3.500 . 3.500 2.094 2.085 2.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
1040 1 130 PHE H 1 130 PHE QD 5.000 . 5.000 3.604 3.351 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
1041 1 130 PHE H 1 131 GLU H 5.000 . 5.000 2.547 2.480 2.718 . 0 0 "[ . 1 . 2 . 3 ]" 1
1042 1 130 PHE HA 1 131 GLU H 3.500 . 3.500 3.566 3.559 3.574 0.074 27 0 "[ . 1 . 2 . 3 ]" 1
1043 1 130 PHE HA 1 132 ASN H 5.000 . 5.000 4.132 4.074 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
1044 1 130 PHE HA 1 133 LEU H 3.500 . 3.500 3.169 2.943 3.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
1045 1 130 PHE HA 1 133 LEU QB 3.500 . 3.500 2.625 2.134 2.789 . 0 0 "[ . 1 . 2 . 3 ]" 1
1046 1 130 PHE HA 1 133 LEU QD 5.000 . 5.000 3.804 3.599 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
1047 1 130 PHE QD 1 133 LEU HG 3.500 . 3.500 3.042 2.819 3.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
1048 1 130 PHE QD 1 133 LEU QD 3.500 . 3.500 3.517 3.456 3.542 0.042 34 0 "[ . 1 . 2 . 3 ]" 1
1049 1 130 PHE QE 1 133 LEU HG 3.500 . 3.500 2.966 2.715 3.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
1050 1 130 PHE QE 1 133 LEU QD 3.500 . 3.500 3.493 3.434 3.531 0.031 27 0 "[ . 1 . 2 . 3 ]" 1
1051 1 130 PHE HZ 1 133 LEU QD 5.000 . 5.000 5.044 4.960 5.072 0.072 27 0 "[ . 1 . 2 . 3 ]" 1
1052 1 131 GLU HA 1 131 GLU HB2 2.800 . 2.800 2.496 2.484 2.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
1053 1 131 GLU H 1 131 GLU HB2 2.800 . 2.800 2.487 2.375 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
1054 1 131 GLU H 1 131 GLU HB3 2.800 . 2.800 2.549 2.514 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
1055 1 131 GLU H 1 131 GLU QG 5.000 . 5.000 3.994 3.945 4.046 . 0 0 "[ . 1 . 2 . 3 ]" 1
1056 1 131 GLU H 1 132 ASN H 2.800 . 2.800 2.760 2.716 2.821 0.021 28 0 "[ . 1 . 2 . 3 ]" 1
1057 1 131 GLU HA 1 132 ASN H 3.500 . 3.500 3.590 3.584 3.592 0.092 30 0 "[ . 1 . 2 . 3 ]" 1
1058 1 131 GLU QB 1 132 ASN H 3.500 . 3.500 2.577 2.542 2.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
1059 1 131 GLU H 1 133 LEU H 5.000 . 5.000 4.136 4.036 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
1060 1 131 GLU HA 1 133 LEU H 5.000 . 5.000 4.040 3.956 4.282 . 0 0 "[ . 1 . 2 . 3 ]" 1
1061 1 131 GLU QB 1 133 LEU H 5.000 . 5.000 4.640 4.597 4.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
1062 1 131 GLU HA 1 134 GLU H 3.500 . 3.500 3.532 3.511 3.553 0.053 34 0 "[ . 1 . 2 . 3 ]" 1
1063 1 131 GLU HA 1 134 GLU QB 3.500 . 3.500 3.435 3.267 3.506 0.006 34 0 "[ . 1 . 2 . 3 ]" 1
1064 1 132 ASN H 1 132 ASN QB 3.500 . 3.500 2.200 2.125 2.311 . 0 0 "[ . 1 . 2 . 3 ]" 1
1065 1 132 ASN H 1 133 LEU H 2.800 . 2.800 2.746 2.612 2.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
1066 1 132 ASN HA 1 133 LEU H 3.500 . 3.500 3.563 3.555 3.572 0.072 25 0 "[ . 1 . 2 . 3 ]" 1
1067 1 132 ASN QB 1 133 LEU H 3.500 . 3.500 2.806 2.700 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
1068 1 132 ASN H 1 134 GLU H 5.000 . 5.000 4.505 4.322 4.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
1069 1 132 ASN HA 1 134 GLU H 5.000 . 5.000 4.241 4.163 4.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
1070 1 132 ASN HA 1 135 GLN H 3.500 . 3.500 3.326 3.220 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
1071 1 132 ASN HA 1 135 GLN QB 3.500 . 3.500 2.836 2.331 3.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
1072 1 132 ASN QB 1 135 GLN H 5.000 . 5.000 4.860 4.695 5.005 0.005 13 0 "[ . 1 . 2 . 3 ]" 1
1073 1 132 ASN HA 1 136 LEU H 5.000 . 5.000 4.335 3.996 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
1074 1 133 LEU HA 1 133 LEU QD 3.500 . 3.500 1.881 1.852 1.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
1075 1 133 LEU HA 1 133 LEU HB2 2.800 . 2.800 2.660 2.645 2.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
1076 1 133 LEU H 1 133 LEU HB2 2.800 . 2.800 2.158 2.132 2.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
1077 1 133 LEU H 1 133 LEU HB3 2.800 . 2.800 2.866 2.843 2.907 0.107 34 0 "[ . 1 . 2 . 3 ]" 1
1078 1 133 LEU H 1 133 LEU HG 5.000 . 5.000 4.546 4.524 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
1079 1 133 LEU H 1 133 LEU QD 5.000 . 5.000 3.389 3.281 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
1080 1 133 LEU H 1 134 GLU H 2.800 . 2.800 2.825 2.805 2.843 0.043 15 0 "[ . 1 . 2 . 3 ]" 1
1081 1 133 LEU QB 1 134 GLU H 3.500 . 3.500 2.516 2.419 2.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
1082 1 133 LEU QD 1 134 GLU H 3.500 . 3.500 3.461 3.395 3.544 0.044 27 0 "[ . 1 . 2 . 3 ]" 1
1083 1 133 LEU QB 1 135 GLN H 5.000 . 5.000 4.756 4.668 4.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
1084 1 133 LEU HA 1 136 LEU H 3.500 . 3.500 3.470 3.341 3.533 0.033 5 0 "[ . 1 . 2 . 3 ]" 1
1085 1 133 LEU HA 1 136 LEU QB 3.500 . 3.500 2.731 2.409 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
1086 1 133 LEU QD 1 136 LEU H 5.000 . 5.000 3.920 3.773 4.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
1087 1 134 GLU H 1 134 GLU QB 3.500 . 3.500 2.183 2.116 2.304 . 0 0 "[ . 1 . 2 . 3 ]" 1
1088 1 134 GLU H 1 135 GLN H 2.800 . 2.800 2.772 2.691 2.819 0.019 12 0 "[ . 1 . 2 . 3 ]" 1
1089 1 134 GLU HA 1 135 GLN H 3.500 . 3.500 3.585 3.582 3.591 0.091 19 0 "[ . 1 . 2 . 3 ]" 1
1090 1 134 GLU HA 1 137 LEU H 3.500 . 3.500 3.519 3.501 3.545 0.045 22 0 "[ . 1 . 2 . 3 ]" 1
1091 1 134 GLU HA 1 137 LEU QB 3.500 . 3.500 2.881 2.658 3.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
1092 1 134 GLU QB 1 137 LEU H 5.000 . 5.000 4.955 4.889 5.020 0.020 34 0 "[ . 1 . 2 . 3 ]" 1
1093 1 134 GLU HA 1 138 GLN H 5.000 . 5.000 4.705 3.785 5.028 0.028 8 0 "[ . 1 . 2 . 3 ]" 1
1094 1 135 GLN H 1 135 GLN QB 3.500 . 3.500 2.226 2.111 2.439 . 0 0 "[ . 1 . 2 . 3 ]" 1
1095 1 135 GLN H 1 135 GLN QG 5.000 . 5.000 3.067 2.151 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
1096 1 135 GLN H 1 136 LEU H 2.800 . 2.800 2.729 2.656 2.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
1097 1 135 GLN QB 1 136 LEU H 3.500 . 3.500 2.555 2.384 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
1098 1 135 GLN HA 1 138 GLN H 3.500 . 3.500 3.476 3.342 3.545 0.045 12 0 "[ . 1 . 2 . 3 ]" 1
1099 1 135 GLN HA 1 138 GLN QB 3.500 . 3.500 3.208 2.581 3.539 0.039 18 0 "[ . 1 . 2 . 3 ]" 1
1100 1 135 GLN QB 1 138 GLN H 5.000 . 5.000 4.886 4.740 5.021 0.021 10 0 "[ . 1 . 2 . 3 ]" 1
1101 1 136 LEU HA 1 136 LEU QD 3.500 . 3.500 2.368 1.964 3.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
1102 1 136 LEU HA 1 136 LEU HB2 2.800 . 2.800 2.587 2.494 2.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
1103 1 136 LEU H 1 136 LEU HB2 2.800 . 2.800 2.297 2.216 2.524 . 0 0 "[ . 1 . 2 . 3 ]" 1
1104 1 136 LEU H 1 136 LEU HB3 2.800 . 2.800 2.736 2.506 2.820 0.020 7 0 "[ . 1 . 2 . 3 ]" 1
1105 1 136 LEU H 1 136 LEU QD 5.000 . 5.000 3.587 3.448 3.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
1106 1 136 LEU H 1 137 LEU H 2.800 . 2.800 2.769 2.643 2.823 0.023 5 0 "[ . 1 . 2 . 3 ]" 1
1107 1 136 LEU HA 1 137 LEU H 3.500 . 3.500 3.582 3.579 3.585 0.085 28 0 "[ . 1 . 2 . 3 ]" 1
1108 1 136 LEU HA 1 139 GLN H 3.500 . 3.500 3.440 3.252 3.531 0.031 31 0 "[ . 1 . 2 . 3 ]" 1
1109 1 136 LEU HA 1 139 GLN QB 3.500 . 3.500 2.800 1.985 3.502 0.002 12 0 "[ . 1 . 2 . 3 ]" 1
1110 1 136 LEU QB 1 139 GLN H 5.000 . 5.000 4.997 4.909 5.047 0.047 18 0 "[ . 1 . 2 . 3 ]" 1
1111 1 137 LEU H 1 137 LEU QD 5.000 . 5.000 3.466 2.072 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
1112 1 137 LEU H 1 138 GLN H 2.800 . 2.800 2.778 2.623 2.822 0.022 8 0 "[ . 1 . 2 . 3 ]" 1
1113 1 137 LEU QB 1 138 GLN H 3.500 . 3.500 2.691 2.566 2.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
1114 1 137 LEU QD 1 138 GLN H 5.000 . 5.000 3.872 3.313 4.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
1115 1 137 LEU H 1 139 GLN H 5.000 . 5.000 4.269 4.051 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
1116 1 138 GLN H 1 138 GLN QB 3.500 . 3.500 2.268 2.140 2.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
1117 1 138 GLN H 1 138 GLN QG 3.500 . 3.500 2.839 2.357 3.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
1118 1 138 GLN H 1 139 GLN H 3.500 . 3.500 2.586 2.319 2.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
1119 1 138 GLN H 1 140 ASN H 5.000 . 5.000 4.976 3.911 5.193 0.193 18 0 "[ . 1 . 2 . 3 ]" 1
1120 1 139 GLN H 1 139 GLN QB 3.500 . 3.500 2.360 2.125 2.828 . 0 0 "[ . 1 . 2 . 3 ]" 1
1121 1 139 GLN H 1 139 GLN QG 5.000 . 5.000 3.555 2.581 4.331 . 0 0 "[ . 1 . 2 . 3 ]" 1
1122 1 139 GLN H 1 140 ASN H 5.000 . 5.000 2.995 2.303 3.904 . 0 0 "[ . 1 . 2 . 3 ]" 1
1123 1 139 GLN HA 1 140 ASN H 3.500 . 3.500 2.956 2.544 3.609 0.109 14 0 "[ . 1 . 2 . 3 ]" 1
1124 1 139 GLN HA 1 141 LYS H 5.000 . 5.000 4.403 3.547 5.014 0.014 23 0 "[ . 1 . 2 . 3 ]" 1
1125 1 140 ASN H 1 140 ASN QB 3.500 . 3.500 2.466 2.181 2.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
1126 1 141 LYS H 1 141 LYS QG 5.000 . 5.000 3.552 2.142 4.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
1127 1 141 LYS HA 1 142 LYS H 3.500 . 3.500 2.714 2.256 3.613 0.113 5 0 "[ . 1 . 2 . 3 ]" 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 18
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 30.233
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0198
_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 17 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 CYS 0.057 0.015 33 0 "[ . 1 . 2 . 3 ]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 46 CYS 0.057 0.015 33 0 "[ . 1 . 2 . 3 ]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 89 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 111 CYS 0.832 0.041 26 0 "[ . 1 . 2 . 3 ]"
1 114 CYS 0.832 0.041 26 0 "[ . 1 . 2 . 3 ]"
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 17 CYS SG 1 20 CYS SG 3.800 3.600 3.900 3.841 3.813 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 2
2 1 17 CYS SG 1 43 CYS SG 3.800 3.600 3.900 3.807 3.781 3.864 . 0 0 "[ . 1 . 2 . 3 ]" 2
3 1 17 CYS SG 1 46 CYS SG 3.800 3.600 3.900 3.777 3.756 3.800 . 0 0 "[ . 1 . 2 . 3 ]" 2
4 1 20 CYS SG 1 43 CYS SG 3.800 3.600 3.900 3.770 3.743 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 2
5 1 20 CYS SG 1 46 CYS SG 3.800 3.600 3.900 3.606 3.585 3.646 0.015 33 0 "[ . 1 . 2 . 3 ]" 2
6 1 43 CYS SG 1 46 CYS SG 3.800 3.600 3.900 3.771 3.721 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 2
7 1 66 CYS SG 1 69 CYS SG 3.800 3.600 3.900 3.716 3.675 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 2
8 1 66 CYS SG 1 86 CYS SG 3.800 3.600 3.900 3.692 3.638 3.754 . 0 0 "[ . 1 . 2 . 3 ]" 2
9 1 66 CYS SG 1 89 CYS SG 3.800 3.600 3.900 3.816 3.793 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 2
10 1 69 CYS SG 1 86 CYS SG 3.800 3.600 3.900 3.765 3.729 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 2
11 1 69 CYS SG 1 89 CYS SG 3.800 3.600 3.900 3.867 3.837 3.890 . 0 0 "[ . 1 . 2 . 3 ]" 2
12 1 86 CYS SG 1 89 CYS SG 3.800 3.600 3.900 3.692 3.626 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 2
13 1 78 CYS SG 1 81 CYS SG 3.800 3.600 3.900 3.822 3.804 3.840 . 0 0 "[ . 1 . 2 . 3 ]" 2
14 1 78 CYS SG 1 111 CYS SG 3.800 3.600 3.900 3.690 3.645 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 2
15 1 78 CYS SG 1 114 CYS SG 3.800 3.600 3.900 3.769 3.732 3.821 . 0 0 "[ . 1 . 2 . 3 ]" 2
16 1 81 CYS SG 1 111 CYS SG 3.800 3.600 3.900 3.642 3.608 3.699 . 0 0 "[ . 1 . 2 . 3 ]" 2
17 1 81 CYS SG 1 114 CYS SG 3.800 3.600 3.900 3.681 3.608 3.710 . 0 0 "[ . 1 . 2 . 3 ]" 2
18 1 111 CYS SG 1 114 CYS SG 3.800 3.600 3.900 3.923 3.881 3.941 0.041 26 0 "[ . 1 . 2 . 3 ]" 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 38
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 173.006
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_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 17 CYS 2.885 0.125 34 0 "[ . 1 . 2 . 3 ]"
1 22 GLN 2.885 0.125 34 0 "[ . 1 . 2 . 3 ]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 76 ILE 0.015 0.008 12 0 "[ . 1 . 2 . 3 ]"
1 85 PHE 0.015 0.008 12 0 "[ . 1 . 2 . 3 ]"
1 87 LYS 0.014 0.014 19 0 "[ . 1 . 2 . 3 ]"
1 88 LYS 1.819 0.070 32 0 "[ . 1 . 2 . 3 ]"
1 89 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 91 LEU 0.014 0.014 19 0 "[ . 1 . 2 . 3 ]"
1 92 ARG 1.819 0.070 32 0 "[ . 1 . 2 . 3 ]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 119 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 120 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 122 LEU 0.003 0.003 6 0 "[ . 1 . 2 . 3 ]"
1 123 VAL 0.266 0.028 25 0 "[ . 1 . 2 . 3 ]"
1 124 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 125 ALA 0.015 0.015 28 0 "[ . 1 . 2 . 3 ]"
1 126 CYS 0.074 0.072 28 0 "[ . 1 . 2 . 3 ]"
1 127 ASN 0.266 0.028 25 0 "[ . 1 . 2 . 3 ]"
1 129 VAL 0.015 0.015 28 0 "[ . 1 . 2 . 3 ]"
1 130 PHE 0.072 0.072 28 0 "[ . 1 . 2 . 3 ]"
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 17 CYS N 1 22 GLN O 2.800 2.400 3.700 2.938 2.777 3.086 . 0 0 "[ . 1 . 2 . 3 ]" 3
2 1 17 CYS H 1 22 GLN O 1.800 . 2.700 1.969 1.833 2.119 . 0 0 "[ . 1 . 2 . 3 ]" 3
3 1 17 CYS O 1 22 GLN N 2.800 2.400 3.700 3.576 3.525 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 3
4 1 17 CYS O 1 22 GLN H 1.800 . 2.700 2.785 2.753 2.825 0.125 34 0 "[ . 1 . 2 . 3 ]" 3
5 1 76 ILE N 1 85 PHE O 2.800 2.400 3.700 2.701 2.576 2.826 . 0 0 "[ . 1 . 2 . 3 ]" 3
6 1 76 ILE H 1 85 PHE O 1.800 . 2.700 1.822 1.685 1.997 . 0 0 "[ . 1 . 2 . 3 ]" 3
7 1 76 ILE O 1 85 PHE N 2.800 2.400 3.700 3.191 2.883 3.444 . 0 0 "[ . 1 . 2 . 3 ]" 3
8 1 76 ILE O 1 85 PHE H 1.800 . 2.700 2.352 2.168 2.708 0.008 12 0 "[ . 1 . 2 . 3 ]" 3
9 1 33 TYR N 1 42 ILE O 2.800 2.400 3.700 3.112 2.895 3.207 . 0 0 "[ . 1 . 2 . 3 ]" 3
10 1 33 TYR H 1 42 ILE O 1.800 . 2.700 2.130 1.922 2.225 . 0 0 "[ . 1 . 2 . 3 ]" 3
11 1 33 TYR O 1 42 ILE N 2.800 2.400 3.700 2.723 2.616 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 3
12 1 33 TYR O 1 42 ILE H 1.800 . 2.700 1.747 1.664 1.847 . 0 0 "[ . 1 . 2 . 3 ]" 3
13 1 35 HIS N 1 40 VAL O 2.800 2.400 3.700 2.616 2.556 2.681 . 0 0 "[ . 1 . 2 . 3 ]" 3
14 1 35 HIS H 1 40 VAL O 1.800 . 2.700 1.645 1.585 1.725 . 0 0 "[ . 1 . 2 . 3 ]" 3
15 1 44 LYS O 1 48 LYS N 2.800 2.400 3.700 2.838 2.740 2.989 . 0 0 "[ . 1 . 2 . 3 ]" 3
16 1 44 LYS O 1 48 LYS H 1.800 . 2.700 1.903 1.800 2.074 . 0 0 "[ . 1 . 2 . 3 ]" 3
17 1 87 LYS O 1 91 LEU N 2.800 2.400 3.700 2.998 2.718 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 3
18 1 87 LYS O 1 91 LEU H 1.800 . 2.700 2.042 1.757 2.714 0.014 19 0 "[ . 1 . 2 . 3 ]" 3
19 1 88 LYS O 1 92 ARG N 2.800 2.400 3.700 3.625 3.601 3.647 . 0 0 "[ . 1 . 2 . 3 ]" 3
20 1 88 LYS O 1 92 ARG H 1.800 . 2.700 2.753 2.734 2.770 0.070 32 0 "[ . 1 . 2 . 3 ]" 3
21 1 89 CYS O 1 93 ASN N 2.800 2.400 3.700 3.018 2.903 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 3
22 1 89 CYS O 1 93 ASN H 1.800 . 2.700 2.322 2.208 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 3
23 1 90 ILE O 1 94 LEU N 2.800 2.400 3.700 2.643 2.615 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 3
24 1 90 ILE O 1 94 LEU H 1.800 . 2.700 1.675 1.652 1.751 . 0 0 "[ . 1 . 2 . 3 ]" 3
25 1 119 LEU O 1 123 VAL N 2.800 2.400 3.700 3.054 2.802 3.322 . 0 0 "[ . 1 . 2 . 3 ]" 3
26 1 119 LEU O 1 123 VAL H 1.800 . 2.700 2.121 1.838 2.395 . 0 0 "[ . 1 . 2 . 3 ]" 3
27 1 120 LEU O 1 124 THR N 2.800 2.400 3.700 2.802 2.586 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 3
28 1 120 LEU O 1 124 THR H 1.800 . 2.700 1.830 1.665 2.082 . 0 0 "[ . 1 . 2 . 3 ]" 3
29 1 121 ASP O 1 125 ALA N 2.800 2.400 3.700 2.865 2.666 3.084 . 0 0 "[ . 1 . 2 . 3 ]" 3
30 1 121 ASP O 1 125 ALA H 1.800 . 2.700 1.953 1.759 2.169 . 0 0 "[ . 1 . 2 . 3 ]" 3
31 1 122 LEU O 1 126 CYS N 2.800 2.400 3.700 3.288 2.630 3.515 . 0 0 "[ . 1 . 2 . 3 ]" 3
32 1 122 LEU O 1 126 CYS H 1.800 . 2.700 2.457 1.689 2.703 0.003 6 0 "[ . 1 . 2 . 3 ]" 3
33 1 123 VAL O 1 127 ASN N 2.800 2.400 3.700 3.592 3.095 3.667 . 0 0 "[ . 1 . 2 . 3 ]" 3
34 1 123 VAL O 1 127 ASN H 1.800 . 2.700 2.650 2.258 2.728 0.028 25 0 "[ . 1 . 2 . 3 ]" 3
35 1 125 ALA O 1 129 VAL N 2.800 2.400 3.700 2.811 2.625 3.606 . 0 0 "[ . 1 . 2 . 3 ]" 3
36 1 125 ALA O 1 129 VAL H 1.800 . 2.700 1.897 1.713 2.715 0.015 28 0 "[ . 1 . 2 . 3 ]" 3
37 1 126 CYS O 1 130 PHE N 2.800 2.400 3.700 2.697 2.628 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 3
38 1 126 CYS O 1 130 PHE H 1.800 . 2.700 1.739 1.666 2.772 0.072 28 0 "[ . 1 . 2 . 3 ]" 3
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