NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384695 |
1klc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1klc
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 1253
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 5.335
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0437
_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 ALA 0.000 0.000 . 0 "[ ]"
1 2 LEU 0.111 0.070 1 0 "[ ]"
1 3 ASP 0.159 0.070 1 0 "[ ]"
1 4 THR 0.025 0.025 1 0 "[ ]"
1 5 ASN 0.002 0.002 1 0 "[ ]"
1 6 TYR 0.150 0.065 1 0 "[ ]"
1 7 CYS 0.027 0.026 1 0 "[ ]"
1 8 PHE 0.009 0.009 1 0 "[ ]"
1 9 SER 0.000 0.000 . 0 "[ ]"
1 10 SER 0.000 0.000 . 0 "[ ]"
1 11 THR 0.001 0.001 1 0 "[ ]"
1 12 GLU 0.001 0.001 1 0 "[ ]"
1 13 LYS 0.000 0.000 . 0 "[ ]"
1 14 ASN 0.000 0.000 . 0 "[ ]"
1 15 CYS 0.035 0.035 1 0 "[ ]"
1 16 CYS 0.000 0.000 . 0 "[ ]"
1 17 VAL 0.026 0.026 1 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 GLN 0.023 0.014 1 0 "[ ]"
1 20 LEU 0.024 0.024 1 0 "[ ]"
1 21 TYR 0.158 0.048 1 0 "[ ]"
1 22 ILE 0.027 0.015 1 0 "[ ]"
1 23 ASP 0.121 0.073 1 0 "[ ]"
1 24 PHE 0.164 0.085 1 0 "[ ]"
1 25 ARG 0.056 0.056 1 0 "[ ]"
1 26 LYS 0.177 0.084 1 0 "[ ]"
1 27 ASP 0.327 0.167 1 0 "[ ]"
1 28 LEU 0.030 0.030 1 0 "[ ]"
1 29 GLY 0.030 0.030 1 0 "[ ]"
1 30 TRP 0.204 0.057 1 0 "[ ]"
1 31 LYS 0.247 0.187 1 0 "[ ]"
1 32 TRP 0.334 0.063 1 0 "[ ]"
1 33 ILE 0.261 0.057 1 0 "[ ]"
1 34 HIS 0.014 0.014 1 0 "[ ]"
1 35 GLU 0.004 0.004 1 0 "[ ]"
1 36 PRO 0.042 0.042 1 0 "[ ]"
1 37 LYS 0.251 0.172 1 0 "[ ]"
1 38 GLY 0.148 0.045 1 0 "[ ]"
1 39 TYR 0.048 0.020 1 0 "[ ]"
1 40 HIS 0.029 0.029 1 0 "[ ]"
1 41 ALA 0.021 0.011 1 0 "[ ]"
1 42 ASN 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.084 0.059 1 0 "[ ]"
1 44 CYS 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.063 0.059 1 0 "[ ]"
1 46 GLY 0.003 0.003 1 0 "[ ]"
1 47 PRO 0.022 0.022 1 0 "[ ]"
1 48 CYS 0.022 0.022 1 0 "[ ]"
1 49 PRO 0.000 0.000 . 0 "[ ]"
1 50 TYR 0.000 0.000 . 0 "[ ]"
1 51 ILE 0.068 0.054 1 0 "[ ]"
1 52 TRP 0.147 0.054 1 0 "[ ]"
1 53 SER 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.157 0.143 1 0 "[ ]"
1 55 ASP 0.026 0.026 1 0 "[ ]"
1 56 THR 0.008 0.008 1 0 "[ ]"
1 57 GLN 0.000 0.000 . 0 "[ ]"
1 58 TYR 0.008 0.008 1 0 "[ ]"
1 59 SER 0.003 0.003 1 0 "[ ]"
1 60 LYS 0.143 0.143 1 0 "[ ]"
1 61 VAL 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.003 0.003 1 0 "[ ]"
1 63 ALA 0.042 0.027 1 0 "[ ]"
1 64 LEU 0.134 0.071 1 0 "[ ]"
1 65 TYR 0.114 0.071 1 0 "[ ]"
1 66 ASN 0.221 0.119 1 0 "[ ]"
1 67 GLN 0.241 0.088 1 0 "[ ]"
1 68 HIS 0.274 0.119 1 0 "[ ]"
1 69 ASN 0.016 0.011 1 0 "[ ]"
1 70 PRO 0.000 0.000 . 0 "[ ]"
1 71 GLY 0.000 0.000 . 0 "[ ]"
1 72 ALA 0.075 0.070 1 0 "[ ]"
1 73 SER 0.070 0.070 1 0 "[ ]"
1 74 ALA 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.031 0.031 1 0 "[ ]"
1 76 PRO 0.017 0.017 1 0 "[ ]"
1 77 CYS 0.017 0.017 1 0 "[ ]"
1 78 CYS 0.000 0.000 . 0 "[ ]"
1 79 VAL 0.156 0.156 1 0 "[ ]"
1 80 PRO 0.131 0.131 1 0 "[ ]"
1 81 GLN 0.000 0.000 . 0 "[ ]"
1 82 ALA 0.026 0.026 1 0 "[ ]"
1 83 LEU 0.212 0.093 1 0 "[ ]"
1 84 GLU 0.137 0.093 1 0 "[ ]"
1 85 PRO 0.010 0.010 1 0 "[ ]"
1 86 LEU 0.300 0.087 1 0 "[ ]"
1 87 PRO 0.000 0.000 . 0 "[ ]"
1 88 ILE 0.217 0.114 1 0 "[ ]"
1 89 VAL 0.114 0.114 1 0 "[ ]"
1 90 TYR 0.221 0.063 1 0 "[ ]"
1 91 TYR 0.375 0.102 1 0 "[ ]"
1 92 VAL 0.115 0.091 1 0 "[ ]"
1 93 GLY 0.000 0.000 . 0 "[ ]"
1 94 ARG 0.256 0.122 1 0 "[ ]"
1 95 LYS 0.208 0.122 1 0 "[ ]"
1 96 PRO 0.074 0.074 1 0 "[ ]"
1 97 LYS 0.029 0.016 1 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 GLU 0.228 0.110 1 0 "[ ]"
1 100 GLN 0.312 0.110 1 0 "[ ]"
1 101 LEU 0.290 0.102 1 0 "[ ]"
1 102 SER 0.078 0.078 1 0 "[ ]"
1 103 ASN 0.096 0.076 1 0 "[ ]"
1 104 MET 0.099 0.076 1 0 "[ ]"
1 105 ILE 0.074 0.031 1 0 "[ ]"
1 106 VAL 0.151 0.131 1 0 "[ ]"
1 107 ARG 0.026 0.026 1 0 "[ ]"
1 108 SER 0.000 0.000 . 0 "[ ]"
1 109 CYS 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.000 0.000 . 0 "[ ]"
1 111 CYS 0.039 0.026 1 0 "[ ]"
1 112 SER 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 LEU H 2.500 . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 1
2 1 1 ALA MB 1 2 LEU H 3.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 1
3 1 2 LEU H 1 2 LEU HB2 3.000 . 3.300 2.633 2.633 2.633 . 0 0 "[ ]" 1
4 1 2 LEU H 1 2 LEU HB3 4.000 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
5 1 2 LEU H 1 2 LEU HG 3.000 . 3.300 2.359 2.359 2.359 . 0 0 "[ ]" 1
6 1 2 LEU HA 1 3 ASP H 2.500 . 2.800 2.514 2.514 2.514 . 0 0 "[ ]" 1
7 1 2 LEU HB2 1 3 ASP H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 1
8 1 2 LEU HB3 1 3 ASP H 4.000 . 4.300 4.342 4.342 4.342 0.042 1 0 "[ ]" 1
9 1 2 LEU MD2 1 3 ASP H 4.000 . 5.300 3.906 3.906 3.906 . 0 0 "[ ]" 1
10 1 3 ASP H 1 3 ASP HB3 3.000 . 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 1
11 1 3 ASP H 1 6 TYR H 4.000 . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1
12 1 3 ASP H 1 6 TYR HB3 3.000 . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 1
13 1 3 ASP H 1 6 TYR HD2 4.000 . 4.300 3.978 3.978 3.978 . 0 0 "[ ]" 1
14 1 3 ASP H 1 7 CYS H 4.000 . 4.300 3.939 3.939 3.939 . 0 0 "[ ]" 1
15 1 3 ASP HA 1 4 THR H 3.000 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1
16 1 3 ASP HB2 1 4 THR H 2.500 . 2.800 1.881 1.881 1.881 . 0 0 "[ ]" 1
17 1 3 ASP HB3 1 4 THR H 3.000 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
18 1 4 THR H 1 4 THR MG 2.500 . 3.800 1.886 1.886 1.886 . 0 0 "[ ]" 1
19 1 4 THR H 1 17 VAL MG1 4.000 . 5.300 2.821 2.821 2.821 . 0 0 "[ ]" 1
20 1 4 THR H 1 17 VAL MG2 4.000 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1
21 1 4 THR H 1 108 SER HA 4.000 . 4.300 3.220 3.220 3.220 . 0 0 "[ ]" 1
22 1 5 ASN H 1 6 TYR H 3.000 . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 1
23 1 3 ASP QB 1 6 TYR H 4.000 . 5.300 4.091 4.091 4.091 . 0 0 "[ ]" 1
24 1 5 ASN HA 1 6 TYR H 4.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 1
25 1 5 ASN QB 1 6 TYR H 3.000 . 4.300 2.556 2.556 2.556 . 0 0 "[ ]" 1
26 1 6 TYR H 1 6 TYR HB2 2.500 . 2.800 2.859 2.859 2.859 0.059 1 0 "[ ]" 1
27 1 6 TYR H 1 6 TYR HB3 2.500 . 2.800 2.321 2.321 2.321 . 0 0 "[ ]" 1
28 1 6 TYR H 1 6 TYR HD2 4.000 . 4.300 4.365 4.365 4.365 0.065 1 0 "[ ]" 1
29 1 6 TYR H 1 7 CYS H 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 1
30 1 4 THR HA 1 7 CYS H 4.000 . 4.300 3.563 3.563 3.563 . 0 0 "[ ]" 1
31 1 5 ASN HA 1 7 CYS H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 1
32 1 6 TYR HA 1 7 CYS H 4.000 . 4.300 3.470 3.470 3.470 . 0 0 "[ ]" 1
33 1 6 TYR HB2 1 7 CYS H 4.000 . 4.300 4.225 4.225 4.225 . 0 0 "[ ]" 1
34 1 6 TYR HB3 1 7 CYS H 3.000 . 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 1
35 1 6 TYR HD2 1 7 CYS H 4.000 . 4.300 3.849 3.849 3.849 . 0 0 "[ ]" 1
36 1 7 CYS H 1 7 CYS HB2 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1
37 1 7 CYS H 1 7 CYS HB3 4.000 . 4.300 3.640 3.640 3.640 . 0 0 "[ ]" 1
38 1 7 CYS H 1 8 PHE H 3.000 . 3.300 2.277 2.277 2.277 . 0 0 "[ ]" 1
39 1 7 CYS H 1 17 VAL MG1 4.000 . 5.300 3.344 3.344 3.344 . 0 0 "[ ]" 1
40 1 7 CYS HA 1 8 PHE H 4.000 . 4.300 3.461 3.461 3.461 . 0 0 "[ ]" 1
41 1 7 CYS HB3 1 8 PHE H 4.000 . 4.300 3.942 3.942 3.942 . 0 0 "[ ]" 1
42 1 7 CYS HB2 1 8 PHE H 3.000 . 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 1
43 1 8 PHE H 1 8 PHE HB2 2.500 . 2.800 2.231 2.231 2.231 . 0 0 "[ ]" 1
44 1 8 PHE H 1 8 PHE HD1 3.000 . 3.300 3.124 3.124 3.124 . 0 0 "[ ]" 1
45 1 8 PHE H 1 9 SER H 3.000 . 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 1
46 1 8 PHE HA 1 9 SER H 3.000 . 3.300 2.966 2.966 2.966 . 0 0 "[ ]" 1
47 1 8 PHE HB2 1 9 SER H 4.000 . 4.300 4.166 4.166 4.166 . 0 0 "[ ]" 1
48 1 9 SER H 1 10 SER H 4.000 . 4.300 3.033 3.033 3.033 . 0 0 "[ ]" 1
49 1 10 SER HA 1 11 THR H 3.000 . 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 1
50 1 10 SER QB 1 11 THR H 2.500 . 3.800 2.262 2.262 2.262 . 0 0 "[ ]" 1
51 1 11 THR H 1 11 THR HA 3.000 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 1
52 1 11 THR H 1 11 THR HB 3.000 . 3.300 3.228 3.228 3.228 . 0 0 "[ ]" 1
53 1 11 THR H 1 11 THR MG 3.000 . 4.300 3.603 3.603 3.603 . 0 0 "[ ]" 1
54 1 11 THR HA 1 12 GLU H 3.000 . 3.300 2.279 2.279 2.279 . 0 0 "[ ]" 1
55 1 11 THR HB 1 12 GLU H 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1
56 1 12 GLU H 1 12 GLU QB 3.000 . 4.300 2.730 2.730 2.730 . 0 0 "[ ]" 1
57 1 12 GLU HA 1 13 LYS H 3.000 . 3.300 2.423 2.423 2.423 . 0 0 "[ ]" 1
58 1 12 GLU QB 1 13 LYS H 3.000 . 4.300 3.203 3.203 3.203 . 0 0 "[ ]" 1
59 1 13 LYS H 1 13 LYS QB 2.500 . 3.800 2.913 2.913 2.913 . 0 0 "[ ]" 1
60 1 13 LYS H 1 13 LYS QG 4.000 . 5.300 2.350 2.350 2.350 . 0 0 "[ ]" 1
61 1 13 LYS H 1 14 ASN H 2.500 . 2.800 1.875 1.875 1.875 . 0 0 "[ ]" 1
62 1 12 GLU QB 1 14 ASN H 4.000 . 5.300 4.411 4.411 4.411 . 0 0 "[ ]" 1
63 1 12 GLU QG 1 14 ASN H 3.000 . 4.300 2.611 2.611 2.611 . 0 0 "[ ]" 1
64 1 13 LYS HA 1 14 ASN H 4.000 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1
65 1 13 LYS QB 1 14 ASN H 3.000 . 4.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
66 1 13 LYS QG 1 14 ASN H 4.000 . 5.300 3.480 3.480 3.480 . 0 0 "[ ]" 1
67 1 14 ASN H 1 14 ASN HB2 3.000 . 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1
68 1 14 ASN HA 1 15 CYS H 3.000 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
69 1 14 ASN HB2 1 15 CYS H 3.000 . 3.300 2.246 2.246 2.246 . 0 0 "[ ]" 1
70 1 14 ASN HB3 1 15 CYS H 3.000 . 3.300 2.011 2.011 2.011 . 0 0 "[ ]" 1
71 1 15 CYS H 1 15 CYS HA 3.000 . 3.300 2.901 2.901 2.901 . 0 0 "[ ]" 1
72 1 15 CYS H 1 15 CYS HB3 3.000 . 3.300 2.289 2.289 2.289 . 0 0 "[ ]" 1
73 1 15 CYS H 1 15 CYS HB2 3.000 . 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 1
74 1 15 CYS H 1 48 CYS HA 3.000 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1
75 1 15 CYS H 1 52 TRP HD1 3.000 . 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 1
76 1 15 CYS HA 1 16 CYS H 2.500 . 2.800 2.372 2.372 2.372 . 0 0 "[ ]" 1
77 1 16 CYS H 1 45 LEU H 4.000 . 4.300 3.118 3.118 3.118 . 0 0 "[ ]" 1
78 1 2 LEU HA 1 17 VAL H 4.000 . 4.300 4.238 4.238 4.238 . 0 0 "[ ]" 1
79 1 7 CYS HB2 1 17 VAL H 4.000 . 4.300 3.395 3.395 3.395 . 0 0 "[ ]" 1
80 1 7 CYS HB3 1 17 VAL H 4.000 . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 1
81 1 16 CYS HA 1 17 VAL H 2.500 . 2.800 2.196 2.196 2.196 . 0 0 "[ ]" 1
82 1 16 CYS QB 1 17 VAL H 4.000 . 5.300 3.698 3.698 3.698 . 0 0 "[ ]" 1
83 1 17 VAL H 1 17 VAL HB 3.000 . 3.300 2.432 2.432 2.432 . 0 0 "[ ]" 1
84 1 17 VAL H 1 17 VAL MG1 2.500 . 3.800 2.201 2.201 2.201 . 0 0 "[ ]" 1
85 1 17 VAL H 1 17 VAL MG2 4.000 . 5.300 3.750 3.750 3.750 . 0 0 "[ ]" 1
86 1 17 VAL HA 1 18 ARG H 3.000 . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 1
87 1 17 VAL MG1 1 18 ARG H 4.000 . 5.300 3.781 3.781 3.781 . 0 0 "[ ]" 1
88 1 17 VAL MG2 1 18 ARG H 3.000 . 4.300 2.523 2.523 2.523 . 0 0 "[ ]" 1
89 1 18 ARG H 1 18 ARG QG 4.000 . 5.300 3.198 3.198 3.198 . 0 0 "[ ]" 1
90 1 18 ARG H 1 43 PHE H 4.000 . 4.300 3.199 3.199 3.199 . 0 0 "[ ]" 1
91 1 18 ARG H 1 44 CYS HA 3.000 . 3.300 2.838 2.838 2.838 . 0 0 "[ ]" 1
92 1 8 PHE HE1 1 19 GLN H 3.000 . 3.300 2.349 2.349 2.349 . 0 0 "[ ]" 1
93 1 18 ARG HA 1 19 GLN H 3.000 . 3.300 2.432 2.432 2.432 . 0 0 "[ ]" 1
94 1 18 ARG QG 1 19 GLN H 3.000 . 4.300 3.440 3.440 3.440 . 0 0 "[ ]" 1
95 1 18 ARG QD 1 19 GLN H 4.000 . 5.300 4.384 4.384 4.384 . 0 0 "[ ]" 1
96 1 19 GLN H 1 19 GLN HB3 2.500 . 2.800 2.433 2.433 2.433 . 0 0 "[ ]" 1
97 1 19 GLN H 1 19 GLN HB2 4.000 . 4.300 3.613 3.613 3.613 . 0 0 "[ ]" 1
98 1 19 GLN H 1 19 GLN QG 2.500 . 3.800 2.243 2.243 2.243 . 0 0 "[ ]" 1
99 1 19 GLN H 1 43 PHE HE1 4.000 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 1
100 1 19 GLN HA 1 20 LEU H 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 1
101 1 19 GLN HB2 1 20 LEU H 4.000 . 4.300 3.171 3.171 3.171 . 0 0 "[ ]" 1
102 1 20 LEU H 1 42 ASN H 3.000 . 3.300 2.523 2.523 2.523 . 0 0 "[ ]" 1
103 1 20 LEU H 1 42 ASN HA 3.000 . 3.300 2.148 2.148 2.148 . 0 0 "[ ]" 1
104 1 19 GLN HA 1 21 TYR H 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1
105 1 20 LEU HA 1 21 TYR H 2.500 . 2.800 2.800 2.800 2.800 . 1 0 "[ ]" 1
106 1 20 LEU MD1 1 21 TYR H 4.000 . 5.300 3.995 3.995 3.995 . 0 0 "[ ]" 1
107 1 21 TYR H 1 21 TYR HA 3.000 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 1
108 1 21 TYR H 1 21 TYR HB2 2.500 . 2.800 2.611 2.611 2.611 . 0 0 "[ ]" 1
109 1 21 TYR H 1 21 TYR HB3 3.000 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 1
110 1 21 TYR HD1 1 22 ILE H 3.000 . 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 1
111 1 21 TYR HD2 1 22 ILE H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 1
112 1 21 TYR HA 1 22 ILE H 2.500 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 1
113 1 22 ILE H 1 22 ILE HB 3.000 . 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 1
114 1 22 ILE H 1 22 ILE QG 3.000 . 4.300 2.732 2.732 2.732 . 0 0 "[ ]" 1
115 1 22 ILE H 1 22 ILE MG 4.000 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1
116 1 22 ILE H 1 39 TYR H 3.000 . 3.300 2.653 2.653 2.653 . 0 0 "[ ]" 1
117 1 22 ILE H 1 40 HIS HA 4.000 . 4.300 3.838 3.838 3.838 . 0 0 "[ ]" 1
118 1 22 ILE H 1 41 ALA MB 4.000 . 5.300 3.180 3.180 3.180 . 0 0 "[ ]" 1
119 1 22 ILE HA 1 23 ASP H 2.500 . 2.800 2.192 2.192 2.192 . 0 0 "[ ]" 1
120 1 22 ILE QG 1 23 ASP H 4.000 . 5.300 4.295 4.295 4.295 . 0 0 "[ ]" 1
121 1 22 ILE MG 1 23 ASP H 3.000 . 4.300 2.706 2.706 2.706 . 0 0 "[ ]" 1
122 1 23 ASP H 1 23 ASP HB3 3.000 . 3.300 2.466 2.466 2.466 . 0 0 "[ ]" 1
123 1 23 ASP H 1 23 ASP HB2 3.000 . 3.300 2.772 2.772 2.772 . 0 0 "[ ]" 1
124 1 23 ASP H 1 27 ASP HB2 3.000 . 3.300 2.635 2.635 2.635 . 0 0 "[ ]" 1
125 1 23 ASP H 1 27 ASP H 4.000 . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1
126 1 21 TYR HE1 1 24 PHE H 4.000 . 4.300 4.336 4.336 4.336 0.036 1 0 "[ ]" 1
127 1 23 ASP HA 1 24 PHE H 2.500 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
128 1 24 PHE H 1 24 PHE HA 3.000 . 3.300 2.573 2.573 2.573 . 0 0 "[ ]" 1
129 1 24 PHE H 1 24 PHE HB2 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 1
130 1 24 PHE H 1 24 PHE HB3 4.000 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
131 1 24 PHE H 1 24 PHE HD2 3.000 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
132 1 24 PHE H 1 25 ARG H 4.000 . 4.300 3.495 3.495 3.495 . 0 0 "[ ]" 1
133 1 24 PHE H 1 38 GLY QA 2.500 . 3.800 1.850 1.850 1.850 . 0 0 "[ ]" 1
134 1 24 PHE HA 1 25 ARG H 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 1
135 1 24 PHE HB2 1 25 ARG H 3.000 . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 1
136 1 24 PHE HB3 1 25 ARG H 3.000 . 3.300 2.970 2.970 2.970 . 0 0 "[ ]" 1
137 1 25 ARG H 1 25 ARG QB 2.500 . 3.800 2.299 2.299 2.299 . 0 0 "[ ]" 1
138 1 25 ARG H 1 26 LYS H 3.000 . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 1
139 1 25 ARG H 1 27 ASP H 4.000 . 4.300 4.356 4.356 4.356 0.056 1 0 "[ ]" 1
140 1 23 ASP HA 1 26 LYS H 4.000 . 4.300 4.373 4.373 4.373 0.073 1 0 "[ ]" 1
141 1 23 ASP QB 1 26 LYS H 3.000 . 4.300 2.765 2.765 2.765 . 0 0 "[ ]" 1
142 1 25 ARG HA 1 26 LYS H 4.000 . 4.300 3.571 3.571 3.571 . 0 0 "[ ]" 1
143 1 25 ARG QB 1 26 LYS H 2.500 . 3.800 2.630 2.630 2.630 . 0 0 "[ ]" 1
144 1 26 LYS H 1 26 LYS HA 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1
145 1 26 LYS H 1 26 LYS HB2 3.000 . 3.300 2.209 2.209 2.209 . 0 0 "[ ]" 1
146 1 26 LYS H 1 26 LYS HB3 3.000 . 3.300 2.981 2.981 2.981 . 0 0 "[ ]" 1
147 1 26 LYS H 1 27 ASP H 2.500 . 2.800 2.821 2.821 2.821 0.021 1 0 "[ ]" 1
148 1 22 ILE MG 1 27 ASP H 4.000 . 5.300 3.448 3.448 3.448 . 0 0 "[ ]" 1
149 1 23 ASP QB 1 27 ASP H 3.000 . 4.300 2.702 2.702 2.702 . 0 0 "[ ]" 1
150 1 26 LYS HB2 1 27 ASP H 3.000 . 3.300 3.384 3.384 3.384 0.084 1 0 "[ ]" 1
151 1 26 LYS HB3 1 27 ASP H 3.000 . 3.300 2.350 2.350 2.350 . 0 0 "[ ]" 1
152 1 27 ASP H 1 27 ASP HB2 3.000 . 3.300 2.161 2.161 2.161 . 0 0 "[ ]" 1
153 1 27 ASP H 1 27 ASP HB3 3.000 . 3.300 3.467 3.467 3.467 0.167 1 0 "[ ]" 1
154 1 27 ASP H 1 28 LEU H 2.500 . 2.800 2.618 2.618 2.618 . 0 0 "[ ]" 1
155 1 27 ASP H 1 29 GLY H 4.000 . 4.300 3.501 3.501 3.501 . 0 0 "[ ]" 1
156 1 22 ILE MG 1 28 LEU H 3.000 . 4.300 2.890 2.890 2.890 . 0 0 "[ ]" 1
157 1 24 PHE HA 1 28 LEU H 4.000 . 4.300 3.609 3.609 3.609 . 0 0 "[ ]" 1
158 1 27 ASP HB2 1 28 LEU H 2.500 . 2.800 2.592 2.592 2.592 . 0 0 "[ ]" 1
159 1 27 ASP HB3 1 28 LEU H 3.000 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 1
160 1 28 LEU H 1 28 LEU HB2 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
161 1 28 LEU H 1 28 LEU HB3 4.000 . 4.300 3.662 3.662 3.662 . 0 0 "[ ]" 1
162 1 28 LEU H 1 28 LEU HG 2.500 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1
163 1 28 LEU H 1 28 LEU MD2 4.000 . 5.300 3.088 3.088 3.088 . 0 0 "[ ]" 1
164 1 28 LEU H 1 29 GLY H 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1
165 1 25 ARG HA 1 29 GLY H 2.500 . 2.800 2.518 2.518 2.518 . 0 0 "[ ]" 1
166 1 28 LEU HA 1 29 GLY H 4.000 . 4.300 3.468 3.468 3.468 . 0 0 "[ ]" 1
167 1 28 LEU HB2 1 29 GLY H 3.000 . 3.300 3.100 3.100 3.100 . 0 0 "[ ]" 1
168 1 28 LEU HB3 1 29 GLY H 4.000 . 4.300 4.091 4.091 4.091 . 0 0 "[ ]" 1
169 1 28 LEU HG 1 29 GLY H 4.000 . 4.300 4.330 4.330 4.330 0.030 1 0 "[ ]" 1
170 1 29 GLY H 1 29 GLY HA3 3.000 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1
171 1 29 GLY H 1 29 GLY HA2 2.500 . 2.800 2.360 2.360 2.360 . 0 0 "[ ]" 1
172 1 29 GLY H 1 30 TRP H 3.000 . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 1
173 1 25 ARG HA 1 30 TRP H 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 1
174 1 28 LEU HB3 1 30 TRP H 3.000 . 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 1
175 1 28 LEU HB2 1 30 TRP H 2.500 . 2.800 2.387 2.387 2.387 . 0 0 "[ ]" 1
176 1 29 GLY QA 1 30 TRP H 3.000 . 4.300 2.916 2.916 2.916 . 0 0 "[ ]" 1
177 1 30 TRP H 1 30 TRP HB2 3.000 . 3.300 2.301 2.301 2.301 . 0 0 "[ ]" 1
178 1 30 TRP H 1 30 TRP HB3 4.000 . 4.300 3.575 3.575 3.575 . 0 0 "[ ]" 1
179 1 30 TRP HA 1 31 LYS H 2.500 . 2.800 2.186 2.186 2.186 . 0 0 "[ ]" 1
180 1 30 TRP HB3 1 31 LYS H 4.000 . 4.300 3.416 3.416 3.416 . 0 0 "[ ]" 1
181 1 31 LYS H 1 31 LYS HB3 3.000 . 3.300 3.487 3.487 3.487 0.187 1 0 "[ ]" 1
182 1 31 LYS H 1 31 LYS HB2 2.500 . 2.800 2.240 2.240 2.240 . 0 0 "[ ]" 1
183 1 31 LYS H 1 31 LYS QG 3.000 . 4.300 3.254 3.254 3.254 . 0 0 "[ ]" 1
184 1 31 LYS H 1 32 TRP H 2.500 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
185 1 31 LYS H 1 32 TRP HD1 4.000 . 4.300 3.014 3.014 3.014 . 0 0 "[ ]" 1
186 1 30 TRP HA 1 32 TRP H 4.000 . 4.300 3.550 3.550 3.550 . 0 0 "[ ]" 1
187 1 30 TRP HB3 1 32 TRP H 4.000 . 4.300 3.223 3.223 3.223 . 0 0 "[ ]" 1
188 1 31 LYS HA 1 32 TRP H 4.000 . 4.300 3.408 3.408 3.408 . 0 0 "[ ]" 1
189 1 31 LYS HB2 1 32 TRP H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 1
190 1 31 LYS HB3 1 32 TRP H 4.000 . 4.300 3.834 3.834 3.834 . 0 0 "[ ]" 1
191 1 32 TRP H 1 32 TRP HB3 3.000 . 3.300 2.563 2.563 2.563 . 0 0 "[ ]" 1
192 1 32 TRP H 1 32 TRP HB2 4.000 . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 1
193 1 32 TRP H 1 32 TRP HE1 4.000 . 4.300 4.348 4.348 4.348 0.048 1 0 "[ ]" 1
194 1 32 TRP H 1 33 ILE HB 4.000 . 4.300 4.310 4.310 4.310 0.010 1 0 "[ ]" 1
195 1 32 TRP H 1 33 ILE QG 4.000 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 1
196 1 32 TRP H 1 33 ILE H 3.000 . 3.300 2.470 2.470 2.470 . 0 0 "[ ]" 1
197 1 31 LYS HA 1 33 ILE H 4.000 . 4.300 3.552 3.552 3.552 . 0 0 "[ ]" 1
198 1 32 TRP HA 1 33 ILE H 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
199 1 32 TRP HB3 1 33 ILE H 4.000 . 4.300 4.244 4.244 4.244 . 0 0 "[ ]" 1
200 1 33 ILE H 1 33 ILE HA 3.000 . 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 1
201 1 33 ILE H 1 33 ILE HB 2.500 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1
202 1 33 ILE H 1 33 ILE MG 4.000 . 5.300 3.691 3.691 3.691 . 0 0 "[ ]" 1
203 1 33 ILE H 1 33 ILE QG 2.500 . 3.800 3.270 3.270 3.270 . 0 0 "[ ]" 1
204 1 33 ILE H 1 33 ILE MD 4.000 . 5.300 4.162 4.162 4.162 . 0 0 "[ ]" 1
205 1 33 ILE HA 1 34 HIS H 2.500 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
206 1 33 ILE MG 1 34 HIS H 3.000 . 4.300 2.634 2.634 2.634 . 0 0 "[ ]" 1
207 1 34 HIS H 1 34 HIS QB 2.500 . 3.800 2.256 2.256 2.256 . 0 0 "[ ]" 1
208 1 34 HIS H 1 35 GLU H 3.000 . 3.300 2.433 2.433 2.433 . 0 0 "[ ]" 1
209 1 34 HIS H 1 89 VAL H 4.000 . 4.300 3.769 3.769 3.769 . 0 0 "[ ]" 1
210 1 34 HIS H 1 90 TYR HA 3.000 . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 1
211 1 34 HIS H 1 90 TYR HB2 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1
212 1 34 HIS H 1 90 TYR HB3 4.000 . 4.300 3.191 3.191 3.191 . 0 0 "[ ]" 1
213 1 33 ILE HA 1 35 GLU H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 1
214 1 33 ILE MG 1 35 GLU H 3.000 . 4.300 2.951 2.951 2.951 . 0 0 "[ ]" 1
215 1 34 HIS HA 1 35 GLU H 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 1
216 1 34 HIS QB 1 35 GLU H 3.000 . 4.300 2.416 2.416 2.416 . 0 0 "[ ]" 1
217 1 35 GLU H 1 35 GLU HB2 3.000 . 3.300 2.558 2.558 2.558 . 0 0 "[ ]" 1
218 1 35 GLU H 1 35 GLU HB3 4.000 . 4.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
219 1 35 GLU H 1 89 VAL HB 3.000 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1
220 1 35 GLU H 1 89 VAL MG1 4.000 . 5.300 4.085 4.085 4.085 . 0 0 "[ ]" 1
221 1 35 GLU H 1 89 VAL MG2 4.000 . 5.300 3.884 3.884 3.884 . 0 0 "[ ]" 1
222 1 35 GLU H 1 89 VAL H 3.000 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 1
223 1 36 PRO HA 1 37 LYS H 3.000 . 3.300 2.522 2.522 2.522 . 0 0 "[ ]" 1
224 1 36 PRO QB 1 37 LYS H 2.500 . 3.800 2.469 2.469 2.469 . 0 0 "[ ]" 1
225 1 36 PRO QG 1 37 LYS H 4.000 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1
226 1 37 LYS H 1 37 LYS HA 3.000 . 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 1
227 1 37 LYS H 1 37 LYS HB2 2.500 . 2.800 2.149 2.149 2.149 . 0 0 "[ ]" 1
228 1 37 LYS H 1 37 LYS HB3 3.000 . 3.300 3.472 3.472 3.472 0.172 1 0 "[ ]" 1
229 1 37 LYS H 1 37 LYS QG 3.000 . 4.300 2.849 2.849 2.849 . 0 0 "[ ]" 1
230 1 37 LYS H 1 37 LYS QD 4.000 . 5.300 3.200 3.200 3.200 . 0 0 "[ ]" 1
231 1 37 LYS H 1 38 GLY H 2.500 . 2.800 2.655 2.655 2.655 . 0 0 "[ ]" 1
232 1 24 PHE HD2 1 38 GLY H 4.000 . 4.300 3.264 3.264 3.264 . 0 0 "[ ]" 1
233 1 24 PHE HE2 1 38 GLY H 4.000 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 1
234 1 36 PRO HA 1 38 GLY H 4.000 . 4.300 4.342 4.342 4.342 0.042 1 0 "[ ]" 1
235 1 36 PRO QB 1 38 GLY H 2.500 . 3.800 2.436 2.436 2.436 . 0 0 "[ ]" 1
236 1 36 PRO QG 1 38 GLY H 4.000 . 5.300 3.417 3.417 3.417 . 0 0 "[ ]" 1
237 1 37 LYS HA 1 38 GLY H 4.000 . 4.300 3.524 3.524 3.524 . 0 0 "[ ]" 1
238 1 37 LYS HB2 1 38 GLY H 2.500 . 2.800 2.833 2.833 2.833 0.033 1 0 "[ ]" 1
239 1 37 LYS HB3 1 38 GLY H 3.000 . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 1
240 1 37 LYS QG 1 38 GLY H 4.000 . 5.300 4.377 4.377 4.377 . 0 0 "[ ]" 1
241 1 38 GLY H 1 38 GLY QA 2.500 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
242 1 21 TYR HE2 1 39 TYR H 4.000 . 4.300 3.404 3.404 3.404 . 0 0 "[ ]" 1
243 1 22 ILE HB 1 39 TYR H 4.000 . 4.300 3.995 3.995 3.995 . 0 0 "[ ]" 1
244 1 23 ASP HA 1 39 TYR H 4.000 . 4.300 3.737 3.737 3.737 . 0 0 "[ ]" 1
245 1 38 GLY QA 1 39 TYR H 2.500 . 3.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
246 1 39 TYR H 1 39 TYR HA 3.000 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 1
247 1 39 TYR H 1 39 TYR HD1 3.000 . 3.300 2.549 2.549 2.549 . 0 0 "[ ]" 1
248 1 39 TYR HA 1 40 HIS H 2.500 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 1
249 1 39 TYR QB 1 40 HIS H 3.000 . 4.300 2.300 2.300 2.300 . 0 0 "[ ]" 1
250 1 39 TYR HD2 1 40 HIS H 4.000 . 4.300 2.918 2.918 2.918 . 0 0 "[ ]" 1
251 1 40 HIS H 1 40 HIS QB 3.000 . 4.300 2.424 2.424 2.424 . 0 0 "[ ]" 1
252 1 40 HIS H 1 105 ILE MG 4.000 . 5.300 4.291 4.291 4.291 . 0 0 "[ ]" 1
253 1 21 TYR HA 1 41 ALA H 3.000 . 3.300 2.378 2.378 2.378 . 0 0 "[ ]" 1
254 1 22 ILE H 1 41 ALA H 2.500 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1
255 1 40 HIS HA 1 41 ALA H 3.000 . 3.300 2.385 2.385 2.385 . 0 0 "[ ]" 1
256 1 41 ALA H 1 41 ALA MB 2.500 . 3.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
257 1 41 ALA H 1 42 ASN H 2.500 . 2.800 2.617 2.617 2.617 . 0 0 "[ ]" 1
258 1 20 LEU QB 1 42 ASN H 2.500 . 3.800 2.335 2.335 2.335 . 0 0 "[ ]" 1
259 1 40 HIS HA 1 42 ASN H 4.000 . 4.300 3.414 3.414 3.414 . 0 0 "[ ]" 1
260 1 41 ALA MB 1 42 ASN H 3.000 . 4.300 2.800 2.800 2.800 . 0 0 "[ ]" 1
261 1 17 VAL HA 1 43 PHE H 4.000 . 4.300 3.999 3.999 3.999 . 0 0 "[ ]" 1
262 1 17 VAL MG2 1 43 PHE H 2.500 . 3.800 2.113 2.113 2.113 . 0 0 "[ ]" 1
263 1 17 VAL MG1 1 43 PHE H 4.000 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 1
264 1 20 LEU MD2 1 43 PHE H 4.000 . 5.300 4.276 4.276 4.276 . 0 0 "[ ]" 1
265 1 42 ASN HA 1 43 PHE H 3.000 . 3.300 2.569 2.569 2.569 . 0 0 "[ ]" 1
266 1 42 ASN QB 1 43 PHE H 2.500 . 3.800 2.232 2.232 2.232 . 0 0 "[ ]" 1
267 1 43 PHE H 1 43 PHE HD1 3.000 . 3.300 2.080 2.080 2.080 . 0 0 "[ ]" 1
268 1 43 PHE H 1 106 VAL HB 4.000 . 4.300 3.954 3.954 3.954 . 0 0 "[ ]" 1
269 1 43 PHE H 1 106 VAL MG2 4.000 . 5.300 3.947 3.947 3.947 . 0 0 "[ ]" 1
270 1 20 LEU QB 1 43 PHE H 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 1
271 1 43 PHE HA 1 44 CYS H 3.000 . 3.300 2.746 2.746 2.746 . 0 0 "[ ]" 1
272 1 43 PHE QB 1 44 CYS H 2.500 . 3.800 2.126 2.126 2.126 . 0 0 "[ ]" 1
273 1 43 PHE HD2 1 44 CYS H 4.000 . 4.300 3.170 3.170 3.170 . 0 0 "[ ]" 1
274 1 44 CYS H 1 44 CYS HB2 3.000 . 3.300 3.061 3.061 3.061 . 0 0 "[ ]" 1
275 1 44 CYS H 1 44 CYS HB3 4.000 . 4.300 3.892 3.892 3.892 . 0 0 "[ ]" 1
276 1 18 ARG HE 1 45 LEU H 4.000 . 4.300 3.853 3.853 3.853 . 0 0 "[ ]" 1
277 1 18 ARG QG 1 45 LEU H 4.000 . 5.300 4.342 4.342 4.342 . 0 0 "[ ]" 1
278 1 44 CYS HA 1 45 LEU H 2.500 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 1
279 1 44 CYS HB3 1 45 LEU H 4.000 . 4.300 3.107 3.107 3.107 . 0 0 "[ ]" 1
280 1 45 LEU H 1 45 LEU MD1 4.000 . 5.300 4.459 4.459 4.459 . 0 0 "[ ]" 1
281 1 45 LEU H 1 45 LEU MD2 4.000 . 5.300 3.913 3.913 3.913 . 0 0 "[ ]" 1
282 1 45 LEU H 1 45 LEU HB3 4.000 . 4.300 3.826 3.826 3.826 . 0 0 "[ ]" 1
283 1 45 LEU H 1 45 LEU HB2 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 1
284 1 45 LEU HA 1 46 GLY H 3.000 . 3.300 2.313 2.313 2.313 . 0 0 "[ ]" 1
285 1 45 LEU HB3 1 46 GLY H 2.500 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
286 1 45 LEU HB2 1 46 GLY H 4.000 . 4.300 4.010 4.010 4.010 . 0 0 "[ ]" 1
287 1 47 PRO HA 1 48 CYS H 2.500 . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1
288 1 47 PRO QB 1 48 CYS H 2.500 . 3.800 1.901 1.901 1.901 . 0 0 "[ ]" 1
289 1 47 PRO QG 1 48 CYS H 4.000 . 5.300 3.668 3.668 3.668 . 0 0 "[ ]" 1
290 1 48 CYS H 1 48 CYS QB 2.500 . 3.800 3.301 3.301 3.301 . 0 0 "[ ]" 1
291 1 49 PRO HA 1 50 TYR H 3.000 . 3.300 2.916 2.916 2.916 . 0 0 "[ ]" 1
292 1 49 PRO QB 1 50 TYR H 3.000 . 4.300 1.810 1.810 1.810 . 0 0 "[ ]" 1
293 1 50 TYR H 1 50 TYR QB 3.000 . 4.300 2.919 2.919 2.919 . 0 0 "[ ]" 1
294 1 50 TYR H 1 50 TYR HD1 3.000 . 3.300 3.262 3.262 3.262 . 0 0 "[ ]" 1
295 1 49 PRO QG 1 52 TRP H 3.000 . 4.300 3.135 3.135 3.135 . 0 0 "[ ]" 1
296 1 51 ILE HA 1 52 TRP H 4.000 . 4.300 3.125 3.125 3.125 . 0 0 "[ ]" 1
297 1 51 ILE HB 1 52 TRP H 4.000 . 4.300 4.354 4.354 4.354 0.054 1 0 "[ ]" 1
298 1 51 ILE HG13 1 52 TRP H 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
299 1 51 ILE MG 1 52 TRP H 4.000 . 5.300 4.361 4.361 4.361 . 0 0 "[ ]" 1
300 1 52 TRP H 1 52 TRP HA 3.000 . 3.300 2.932 2.932 2.932 . 0 0 "[ ]" 1
301 1 52 TRP H 1 52 TRP QB 2.500 . 3.800 2.193 2.193 2.193 . 0 0 "[ ]" 1
302 1 53 SER HA 1 54 LEU H 2.500 . 2.800 2.441 2.441 2.441 . 0 0 "[ ]" 1
303 1 54 LEU H 1 54 LEU HB3 4.000 . 4.300 3.637 3.637 3.637 . 0 0 "[ ]" 1
304 1 54 LEU H 1 54 LEU HB2 2.500 . 2.800 2.528 2.528 2.528 . 0 0 "[ ]" 1
305 1 54 LEU H 1 54 LEU HG 2.500 . 2.800 2.167 2.167 2.167 . 0 0 "[ ]" 1
306 1 54 LEU H 1 54 LEU MD1 4.000 . 5.300 3.232 3.232 3.232 . 0 0 "[ ]" 1
307 1 54 LEU HA 1 55 ASP H 2.500 . 2.800 2.208 2.208 2.208 . 0 0 "[ ]" 1
308 1 54 LEU HB3 1 55 ASP H 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1
309 1 54 LEU HB2 1 55 ASP H 4.000 . 4.300 4.159 4.159 4.159 . 0 0 "[ ]" 1
310 1 54 LEU MD2 1 55 ASP H 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1
311 1 55 ASP H 1 55 ASP QB 2.500 . 3.800 2.319 2.319 2.319 . 0 0 "[ ]" 1
312 1 55 ASP H 1 56 THR MG 4.000 . 5.300 4.149 4.149 4.149 . 0 0 "[ ]" 1
313 1 55 ASP H 1 56 THR H 3.000 . 3.300 2.707 2.707 2.707 . 0 0 "[ ]" 1
314 1 55 ASP H 1 59 SER QB 3.000 . 4.300 2.724 2.724 2.724 . 0 0 "[ ]" 1
315 1 55 ASP H 1 111 CYS HB2 4.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
316 1 55 ASP H 1 111 CYS HB3 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 1
317 1 55 ASP QB 1 56 THR H 2.500 . 3.800 1.992 1.992 1.992 . 0 0 "[ ]" 1
318 1 56 THR H 1 56 THR MG 2.500 . 3.800 2.067 2.067 2.067 . 0 0 "[ ]" 1
319 1 56 THR H 1 59 SER QB 3.000 . 4.300 3.148 3.148 3.148 . 0 0 "[ ]" 1
320 1 56 THR H 1 59 SER H 4.000 . 4.300 3.881 3.881 3.881 . 0 0 "[ ]" 1
321 1 56 THR HA 1 57 GLN H 3.000 . 3.300 2.473 2.473 2.473 . 0 0 "[ ]" 1
322 1 56 THR HB 1 57 GLN H 3.000 . 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
323 1 56 THR MG 1 57 GLN H 4.000 . 5.300 4.047 4.047 4.047 . 0 0 "[ ]" 1
324 1 57 GLN H 1 57 GLN QG 4.000 . 5.300 3.986 3.986 3.986 . 0 0 "[ ]" 1
325 1 57 GLN H 1 58 TYR H 3.000 . 3.300 2.602 2.602 2.602 . 0 0 "[ ]" 1
326 1 56 THR HB 1 58 TYR H 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1
327 1 57 GLN QB 1 58 TYR H 3.000 . 4.300 2.690 2.690 2.690 . 0 0 "[ ]" 1
328 1 58 TYR H 1 58 TYR HD2 4.000 . 4.300 4.230 4.230 4.230 . 0 0 "[ ]" 1
329 1 58 TYR H 1 59 SER H 3.000 . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 1
330 1 58 TYR HA 1 59 SER H 4.000 . 4.300 3.376 3.376 3.376 . 0 0 "[ ]" 1
331 1 58 TYR QB 1 59 SER H 3.000 . 4.300 3.328 3.328 3.328 . 0 0 "[ ]" 1
332 1 58 TYR HD2 1 59 SER H 4.000 . 4.300 3.962 3.962 3.962 . 0 0 "[ ]" 1
333 1 59 SER H 1 60 LYS H 2.500 . 2.800 2.448 2.448 2.448 . 0 0 "[ ]" 1
334 1 54 LEU HB3 1 60 LYS H 4.000 . 4.300 3.360 3.360 3.360 . 0 0 "[ ]" 1
335 1 54 LEU MD1 1 60 LYS H 4.000 . 5.300 3.498 3.498 3.498 . 0 0 "[ ]" 1
336 1 54 LEU MD2 1 60 LYS H 4.000 . 5.300 3.098 3.098 3.098 . 0 0 "[ ]" 1
337 1 57 GLN HA 1 60 LYS H 4.000 . 4.300 3.495 3.495 3.495 . 0 0 "[ ]" 1
338 1 59 SER QB 1 60 LYS H 3.000 . 4.300 2.806 2.806 2.806 . 0 0 "[ ]" 1
339 1 60 LYS H 1 60 LYS QB 3.000 . 4.300 2.513 2.513 2.513 . 0 0 "[ ]" 1
340 1 60 LYS H 1 61 VAL MG2 4.000 . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1
341 1 60 LYS H 1 61 VAL H 2.500 . 2.800 2.336 2.336 2.336 . 0 0 "[ ]" 1
342 1 58 TYR HA 1 61 VAL H 4.000 . 4.300 3.250 3.250 3.250 . 0 0 "[ ]" 1
343 1 60 LYS HA 1 61 VAL H 4.000 . 4.300 3.533 3.533 3.533 . 0 0 "[ ]" 1
344 1 60 LYS QB 1 61 VAL H 3.000 . 4.300 3.461 3.461 3.461 . 0 0 "[ ]" 1
345 1 60 LYS QG 1 61 VAL H 2.500 . 3.800 1.845 1.845 1.845 . 0 0 "[ ]" 1
346 1 61 VAL H 1 61 VAL HA 3.000 . 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 1
347 1 61 VAL H 1 61 VAL HB 2.500 . 2.800 2.287 2.287 2.287 . 0 0 "[ ]" 1
348 1 61 VAL H 1 61 VAL MG2 2.500 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
349 1 61 VAL H 1 61 VAL MG1 3.000 . 4.300 3.703 3.703 3.703 . 0 0 "[ ]" 1
350 1 61 VAL H 1 62 LEU H 3.000 . 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 1
351 1 58 TYR HA 1 62 LEU H 4.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 1
352 1 59 SER HA 1 62 LEU H 4.000 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 1
353 1 61 VAL HA 1 62 LEU H 4.000 . 4.300 3.588 3.588 3.588 . 0 0 "[ ]" 1
354 1 61 VAL HB 1 62 LEU H 3.000 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 1
355 1 61 VAL MG1 1 62 LEU H 2.500 . 3.800 2.687 2.687 2.687 . 0 0 "[ ]" 1
356 1 61 VAL MG2 1 62 LEU H 4.000 . 5.300 3.855 3.855 3.855 . 0 0 "[ ]" 1
357 1 62 LEU H 1 62 LEU QB 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 1
358 1 62 LEU H 1 63 ALA H 3.000 . 3.300 2.807 2.807 2.807 . 0 0 "[ ]" 1
359 1 60 LYS HA 1 63 ALA H 4.000 . 4.300 3.727 3.727 3.727 . 0 0 "[ ]" 1
360 1 62 LEU HA 1 63 ALA H 4.000 . 4.300 3.570 3.570 3.570 . 0 0 "[ ]" 1
361 1 62 LEU QB 1 63 ALA H 3.000 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 1
362 1 63 ALA H 1 63 ALA MB 3.000 . 4.300 2.243 2.243 2.243 . 0 0 "[ ]" 1
363 1 63 ALA H 1 64 LEU H 3.000 . 3.300 2.860 2.860 2.860 . 0 0 "[ ]" 1
364 1 50 TYR HD1 1 64 LEU H 4.000 . 4.300 3.456 3.456 3.456 . 0 0 "[ ]" 1
365 1 61 VAL HA 1 64 LEU H 4.000 . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 1
366 1 63 ALA HA 1 64 LEU H 4.000 . 4.300 3.531 3.531 3.531 . 0 0 "[ ]" 1
367 1 63 ALA MB 1 64 LEU H 3.000 . 4.300 2.683 2.683 2.683 . 0 0 "[ ]" 1
368 1 64 LEU H 1 64 LEU HB2 2.500 . 2.800 2.411 2.411 2.411 . 0 0 "[ ]" 1
369 1 64 LEU H 1 64 LEU HB3 4.000 . 4.300 3.641 3.641 3.641 . 0 0 "[ ]" 1
370 1 64 LEU H 1 64 LEU HG 3.000 . 3.300 2.601 2.601 2.601 . 0 0 "[ ]" 1
371 1 64 LEU H 1 64 LEU MD1 4.000 . 5.300 3.209 3.209 3.209 . 0 0 "[ ]" 1
372 1 64 LEU H 1 64 LEU MD2 4.000 . 5.300 3.988 3.988 3.988 . 0 0 "[ ]" 1
373 1 64 LEU H 1 65 TYR H 3.000 . 3.300 2.230 2.230 2.230 . 0 0 "[ ]" 1
374 1 64 LEU H 1 66 ASN H 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 1
375 1 62 LEU HA 1 65 TYR H 3.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 1
376 1 64 LEU HB2 1 65 TYR H 2.500 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
377 1 64 LEU HB3 1 65 TYR H 4.000 . 4.300 3.787 3.787 3.787 . 0 0 "[ ]" 1
378 1 64 LEU HG 1 65 TYR H 4.000 . 4.300 4.371 4.371 4.371 0.071 1 0 "[ ]" 1
379 1 65 TYR H 1 65 TYR HB2 2.500 . 2.800 2.606 2.606 2.606 . 0 0 "[ ]" 1
380 1 65 TYR H 1 65 TYR HB3 2.500 . 2.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
381 1 65 TYR H 1 66 ASN H 3.000 . 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 1
382 1 62 LEU HA 1 66 ASN H 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 1
383 1 63 ALA HA 1 66 ASN H 4.000 . 4.300 4.088 4.088 4.088 . 0 0 "[ ]" 1
384 1 65 TYR HB2 1 66 ASN H 4.000 . 4.300 4.021 4.021 4.021 . 0 0 "[ ]" 1
385 1 65 TYR HB3 1 66 ASN H 2.500 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 1
386 1 65 TYR HD2 1 66 ASN H 4.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
387 1 66 ASN H 1 66 ASN HB2 2.500 . 2.800 2.408 2.408 2.408 . 0 0 "[ ]" 1
388 1 66 ASN H 1 66 ASN HB3 2.500 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1
389 1 66 ASN H 1 67 GLN H 3.000 . 3.300 2.342 2.342 2.342 . 0 0 "[ ]" 1
390 1 63 ALA HA 1 67 GLN H 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1
391 1 64 LEU HA 1 67 GLN H 4.000 . 4.300 3.155 3.155 3.155 . 0 0 "[ ]" 1
392 1 66 ASN HB2 1 67 GLN H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 1
393 1 66 ASN HB3 1 67 GLN H 2.500 . 2.800 2.285 2.285 2.285 . 0 0 "[ ]" 1
394 1 67 GLN H 1 67 GLN HB2 2.500 . 2.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
395 1 67 GLN H 1 67 GLN HB3 4.000 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 1
396 1 67 GLN H 1 67 GLN QG 3.000 . 4.300 2.770 2.770 2.770 . 0 0 "[ ]" 1
397 1 67 GLN H 1 68 HIS H 3.000 . 3.300 2.716 2.716 2.716 . 0 0 "[ ]" 1
398 1 66 ASN HB3 1 68 HIS H 4.000 . 4.300 4.419 4.419 4.419 0.119 1 0 "[ ]" 1
399 1 67 GLN HA 1 68 HIS H 3.000 . 3.300 3.388 3.388 3.388 0.088 1 0 "[ ]" 1
400 1 67 GLN HB3 1 68 HIS H 4.000 . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 1
401 1 67 GLN HB2 1 68 HIS H 3.000 . 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 1
402 1 67 GLN QG 1 68 HIS H 4.000 . 5.300 4.503 4.503 4.503 . 0 0 "[ ]" 1
403 1 68 HIS H 1 68 HIS HB2 2.500 . 2.800 2.282 2.282 2.282 . 0 0 "[ ]" 1
404 1 68 HIS H 1 68 HIS HB3 4.000 . 4.300 3.542 3.542 3.542 . 0 0 "[ ]" 1
405 1 68 HIS H 1 69 ASN H 3.000 . 3.300 2.223 2.223 2.223 . 0 0 "[ ]" 1
406 1 66 ASN HA 1 69 ASN H 3.000 . 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 1
407 1 68 HIS HA 1 69 ASN H 4.000 . 4.300 3.551 3.551 3.551 . 0 0 "[ ]" 1
408 1 68 HIS HB2 1 69 ASN H 3.000 . 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 1
409 1 68 HIS HB3 1 69 ASN H 3.000 . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1
410 1 69 ASN H 1 69 ASN HA 3.000 . 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 1
411 1 69 ASN H 1 69 ASN HB2 3.000 . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 1
412 1 69 ASN H 1 69 ASN HB3 4.000 . 4.300 3.648 3.648 3.648 . 0 0 "[ ]" 1
413 1 69 ASN H 1 70 PRO QD 4.000 . 5.300 4.002 4.002 4.002 . 0 0 "[ ]" 1
414 1 70 PRO HA 1 71 GLY H 2.500 . 2.800 2.258 2.258 2.258 . 0 0 "[ ]" 1
415 1 70 PRO QB 1 71 GLY H 4.000 . 5.300 3.699 3.699 3.699 . 0 0 "[ ]" 1
416 1 71 GLY H 1 71 GLY HA2 2.500 . 2.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
417 1 71 GLY H 1 71 GLY HA3 3.000 . 3.300 2.994 2.994 2.994 . 0 0 "[ ]" 1
418 1 71 GLY H 1 72 ALA H 2.500 . 2.800 1.870 1.870 1.870 . 0 0 "[ ]" 1
419 1 69 ASN HB3 1 72 ALA H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 1
420 1 69 ASN HB2 1 72 ALA H 4.000 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 1
421 1 71 GLY HA3 1 72 ALA H 4.000 . 4.300 3.427 3.427 3.427 . 0 0 "[ ]" 1
422 1 71 GLY HA2 1 72 ALA H 4.000 . 4.300 3.129 3.129 3.129 . 0 0 "[ ]" 1
423 1 72 ALA H 1 72 ALA HA 3.000 . 3.300 2.987 2.987 2.987 . 0 0 "[ ]" 1
424 1 72 ALA H 1 72 ALA MB 2.500 . 3.800 2.318 2.318 2.318 . 0 0 "[ ]" 1
425 1 72 ALA H 1 73 SER H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 1
426 1 72 ALA HA 1 73 SER H 2.500 . 2.800 2.170 2.170 2.170 . 0 0 "[ ]" 1
427 1 72 ALA MB 1 73 SER H 2.500 . 3.800 3.210 3.210 3.210 . 0 0 "[ ]" 1
428 1 73 SER H 1 73 SER HA 3.000 . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 1
429 1 73 SER H 1 74 ALA MB 4.000 . 5.300 4.020 4.020 4.020 . 0 0 "[ ]" 1
430 1 73 SER H 1 74 ALA H 3.000 . 3.300 2.752 2.752 2.752 . 0 0 "[ ]" 1
431 1 72 ALA MB 1 74 ALA H 3.000 . 4.300 2.602 2.602 2.602 . 0 0 "[ ]" 1
432 1 73 SER QB 1 74 ALA H 4.000 . 5.300 3.756 3.756 3.756 . 0 0 "[ ]" 1
433 1 74 ALA H 1 74 ALA MB 3.000 . 4.300 2.278 2.278 2.278 . 0 0 "[ ]" 1
434 1 74 ALA H 1 75 ALA H 4.000 . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
435 1 62 LEU MD1 1 75 ALA H 4.000 . 5.300 4.158 4.158 4.158 . 0 0 "[ ]" 1
436 1 74 ALA HA 1 75 ALA H 3.000 . 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 1
437 1 74 ALA MB 1 75 ALA H 3.000 . 4.300 3.521 3.521 3.521 . 0 0 "[ ]" 1
438 1 75 ALA H 1 75 ALA MB 3.000 . 4.300 2.060 2.060 2.060 . 0 0 "[ ]" 1
439 1 76 PRO HA 1 77 CYS H 2.500 . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 1
440 1 76 PRO QG 1 77 CYS H 4.000 . 5.300 3.667 3.667 3.667 . 0 0 "[ ]" 1
441 1 76 PRO QB 1 77 CYS H 3.000 . 4.300 1.911 1.911 1.911 . 0 0 "[ ]" 1
442 1 77 CYS H 1 112 SER H 4.000 . 4.300 3.918 3.918 3.918 . 0 0 "[ ]" 1
443 1 76 PRO QG 1 78 CYS H 4.000 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 1
444 1 77 CYS HA 1 78 CYS H 2.500 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1
445 1 77 CYS QB 1 78 CYS H 4.000 . 5.300 3.876 3.876 3.876 . 0 0 "[ ]" 1
446 1 78 CYS H 1 78 CYS HB2 2.500 . 2.800 2.451 2.451 2.451 . 0 0 "[ ]" 1
447 1 78 CYS H 1 78 CYS HB3 2.500 . 2.800 2.642 2.642 2.642 . 0 0 "[ ]" 1
448 1 78 CYS HA 1 79 VAL H 2.500 . 2.800 2.286 2.286 2.286 . 0 0 "[ ]" 1
449 1 78 CYS HB2 1 79 VAL H 4.000 . 4.300 4.271 4.271 4.271 . 0 0 "[ ]" 1
450 1 78 CYS HB3 1 79 VAL H 4.000 . 4.300 4.065 4.065 4.065 . 0 0 "[ ]" 1
451 1 79 VAL H 1 79 VAL HA 2.500 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 1
452 1 79 VAL H 1 79 VAL MG2 2.500 . 3.800 2.428 2.428 2.428 . 0 0 "[ ]" 1
453 1 79 VAL H 1 79 VAL MG1 3.000 . 4.300 2.648 2.648 2.648 . 0 0 "[ ]" 1
454 1 79 VAL H 1 110 LYS H 3.000 . 3.300 2.158 2.158 2.158 . 0 0 "[ ]" 1
455 1 79 VAL H 1 111 CYS HA 3.000 . 3.300 3.257 3.257 3.257 . 0 0 "[ ]" 1
456 1 80 PRO HA 1 81 GLN H 3.000 . 3.300 2.309 2.309 2.309 . 0 0 "[ ]" 1
457 1 80 PRO QB 1 81 GLN H 4.000 . 5.300 3.790 3.790 3.790 . 0 0 "[ ]" 1
458 1 81 GLN H 1 81 GLN HB2 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1
459 1 81 GLN H 1 81 GLN HB3 3.000 . 3.300 2.372 2.372 2.372 . 0 0 "[ ]" 1
460 1 81 GLN H 1 81 GLN QG 3.000 . 4.300 3.930 3.930 3.930 . 0 0 "[ ]" 1
461 1 81 GLN H 1 82 ALA H 3.000 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1
462 1 81 GLN H 1 106 VAL MG1 4.000 . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1
463 1 81 GLN H 1 109 CYS HA 3.000 . 3.300 2.016 2.016 2.016 . 0 0 "[ ]" 1
464 1 81 GLN HA 1 82 ALA H 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 1
465 1 81 GLN HB2 1 82 ALA H 4.000 . 4.300 3.620 3.620 3.620 . 0 0 "[ ]" 1
466 1 81 GLN HB3 1 82 ALA H 2.500 . 2.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
467 1 81 GLN QG 1 82 ALA H 3.000 . 4.300 2.544 2.544 2.544 . 0 0 "[ ]" 1
468 1 82 ALA H 1 82 ALA HA 3.000 . 3.300 2.946 2.946 2.946 . 0 0 "[ ]" 1
469 1 82 ALA H 1 82 ALA MB 2.500 . 3.800 2.180 2.180 2.180 . 0 0 "[ ]" 1
470 1 82 ALA H 1 107 ARG H 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 1
471 1 82 ALA H 1 108 SER H 4.000 . 4.300 4.120 4.120 4.120 . 0 0 "[ ]" 1
472 1 82 ALA H 1 108 SER QB 4.000 . 5.300 3.343 3.343 3.343 . 0 0 "[ ]" 1
473 1 82 ALA HA 1 83 LEU H 2.500 . 2.800 2.261 2.261 2.261 . 0 0 "[ ]" 1
474 1 82 ALA MB 1 83 LEU H 3.000 . 4.300 3.010 3.010 3.010 . 0 0 "[ ]" 1
475 1 83 LEU H 1 83 LEU HB3 4.000 . 4.300 3.779 3.779 3.779 . 0 0 "[ ]" 1
476 1 83 LEU H 1 83 LEU HB2 3.000 . 3.300 2.606 2.606 2.606 . 0 0 "[ ]" 1
477 1 83 LEU H 1 83 LEU HG 3.000 . 3.300 3.030 3.030 3.030 . 0 0 "[ ]" 1
478 1 83 LEU H 1 83 LEU MD2 4.000 . 5.300 4.232 4.232 4.232 . 0 0 "[ ]" 1
479 1 83 LEU H 1 83 LEU MD1 4.000 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
480 1 83 LEU H 1 84 GLU H 4.000 . 4.300 4.345 4.345 4.345 0.045 1 0 "[ ]" 1
481 1 83 LEU HA 1 84 GLU H 2.500 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
482 1 83 LEU HB3 1 84 GLU H 2.500 . 2.800 1.857 1.857 1.857 . 0 0 "[ ]" 1
483 1 83 LEU HB2 1 84 GLU H 4.000 . 4.300 3.071 3.071 3.071 . 0 0 "[ ]" 1
484 1 83 LEU HG 1 84 GLU H 4.000 . 4.300 4.393 4.393 4.393 0.093 1 0 "[ ]" 1
485 1 83 LEU MD2 1 84 GLU H 4.000 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 1
486 1 83 LEU MD1 1 84 GLU H 4.000 . 5.300 4.185 4.185 4.185 . 0 0 "[ ]" 1
487 1 84 GLU H 1 84 GLU HB2 2.500 . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 1
488 1 84 GLU H 1 84 GLU HB3 4.000 . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 1
489 1 84 GLU H 1 103 ASN HA 3.000 . 3.300 2.687 2.687 2.687 . 0 0 "[ ]" 1
490 1 84 GLU H 1 104 MET H 4.000 . 4.300 3.864 3.864 3.864 . 0 0 "[ ]" 1
491 1 84 GLU H 1 105 ILE H 3.000 . 3.300 2.379 2.379 2.379 . 0 0 "[ ]" 1
492 1 84 GLU H 1 105 ILE HB 3.000 . 3.300 2.742 2.742 2.742 . 0 0 "[ ]" 1
493 1 84 GLU H 1 105 ILE MG 4.000 . 5.300 3.785 3.785 3.785 . 0 0 "[ ]" 1
494 1 84 GLU H 1 106 VAL HA 4.000 . 4.300 3.875 3.875 3.875 . 0 0 "[ ]" 1
495 1 85 PRO HA 1 86 LEU H 2.500 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1
496 1 85 PRO QB 1 86 LEU H 2.500 . 3.800 1.945 1.945 1.945 . 0 0 "[ ]" 1
497 1 85 PRO QG 1 86 LEU H 4.000 . 5.300 3.723 3.723 3.723 . 0 0 "[ ]" 1
498 1 86 LEU H 1 86 LEU QB 2.500 . 3.800 2.789 2.789 2.789 . 0 0 "[ ]" 1
499 1 86 LEU H 1 100 GLN HA 4.000 . 4.300 3.186 3.186 3.186 . 0 0 "[ ]" 1
500 1 86 LEU H 1 100 GLN HB3 4.000 . 4.300 3.089 3.089 3.089 . 0 0 "[ ]" 1
501 1 86 LEU H 1 100 GLN HB2 4.000 . 4.300 4.317 4.317 4.317 0.017 1 0 "[ ]" 1
502 1 86 LEU H 1 100 GLN QG 4.000 . 5.300 4.616 4.616 4.616 . 0 0 "[ ]" 1
503 1 86 LEU H 1 101 LEU H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 1
504 1 86 LEU H 1 101 LEU HB2 4.000 . 4.300 3.496 3.496 3.496 . 0 0 "[ ]" 1
505 1 86 LEU H 1 102 SER HA 4.000 . 4.300 4.090 4.090 4.090 . 0 0 "[ ]" 1
506 1 87 PRO HA 1 88 ILE H 2.500 . 2.800 2.232 2.232 2.232 . 0 0 "[ ]" 1
507 1 87 PRO QB 1 88 ILE H 3.000 . 4.300 3.656 3.656 3.656 . 0 0 "[ ]" 1
508 1 88 ILE H 1 88 ILE HG12 2.500 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
509 1 88 ILE H 1 88 ILE HG13 4.000 . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 1
510 1 88 ILE H 1 88 ILE MG 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 1
511 1 88 ILE H 1 88 ILE MD 4.000 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 1
512 1 88 ILE H 1 89 VAL MG2 4.000 . 5.300 4.215 4.215 4.215 . 0 0 "[ ]" 1
513 1 88 ILE H 1 99 GLU H 4.000 . 4.300 2.984 2.984 2.984 . 0 0 "[ ]" 1
514 1 88 ILE H 1 100 GLN HA 4.000 . 4.300 3.029 3.029 3.029 . 0 0 "[ ]" 1
515 1 33 ILE MG 1 89 VAL H 4.000 . 5.300 2.932 2.932 2.932 . 0 0 "[ ]" 1
516 1 88 ILE HA 1 89 VAL H 3.000 . 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1
517 1 88 ILE HB 1 89 VAL H 3.000 . 3.300 1.946 1.946 1.946 . 0 0 "[ ]" 1
518 1 88 ILE HG13 1 89 VAL H 2.500 . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 1
519 1 88 ILE HG12 1 89 VAL H 3.000 . 3.300 3.414 3.414 3.414 0.114 1 0 "[ ]" 1
520 1 88 ILE MG 1 89 VAL H 4.000 . 5.300 3.592 3.592 3.592 . 0 0 "[ ]" 1
521 1 88 ILE MD 1 89 VAL H 3.000 . 4.300 3.353 3.353 3.353 . 0 0 "[ ]" 1
522 1 89 VAL H 1 89 VAL HB 3.000 . 3.300 3.140 3.140 3.140 . 0 0 "[ ]" 1
523 1 89 VAL H 1 89 VAL MG1 4.000 . 5.300 4.028 4.028 4.028 . 0 0 "[ ]" 1
524 1 89 VAL H 1 89 VAL MG2 2.500 . 3.800 3.004 3.004 3.004 . 0 0 "[ ]" 1
525 1 89 VAL HA 1 90 TYR H 2.500 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
526 1 89 VAL HB 1 90 TYR H 4.000 . 4.300 4.268 4.268 4.268 . 0 0 "[ ]" 1
527 1 89 VAL MG1 1 90 TYR H 2.500 . 3.800 2.921 2.921 2.921 . 0 0 "[ ]" 1
528 1 89 VAL MG2 1 90 TYR H 4.000 . 5.300 4.319 4.319 4.319 . 0 0 "[ ]" 1
529 1 90 TYR H 1 90 TYR HA 3.000 . 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 1
530 1 90 TYR H 1 90 TYR HB2 4.000 . 4.300 3.676 3.676 3.676 . 0 0 "[ ]" 1
531 1 90 TYR H 1 90 TYR HB3 3.000 . 3.300 3.354 3.354 3.354 0.054 1 0 "[ ]" 1
532 1 90 TYR H 1 90 TYR HD1 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1
533 1 90 TYR H 1 97 LYS H 3.000 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 1
534 1 90 TYR H 1 97 LYS QB 4.000 . 5.300 4.011 4.011 4.011 . 0 0 "[ ]" 1
535 1 90 TYR HA 1 91 TYR H 2.500 . 2.800 2.701 2.701 2.701 . 0 0 "[ ]" 1
536 1 90 TYR HB2 1 91 TYR H 2.500 . 2.800 1.935 1.935 1.935 . 0 0 "[ ]" 1
537 1 90 TYR HB3 1 91 TYR H 3.000 . 3.300 3.330 3.330 3.330 0.030 1 0 "[ ]" 1
538 1 90 TYR HD2 1 91 TYR H 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1
539 1 91 TYR H 1 91 TYR HB3 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 1
540 1 91 TYR H 1 91 TYR HB2 2.500 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
541 1 91 TYR H 1 91 TYR HD1 3.000 . 3.300 3.402 3.402 3.402 0.102 1 0 "[ ]" 1
542 1 91 TYR H 1 92 VAL H 4.000 . 4.300 4.391 4.391 4.391 0.091 1 0 "[ ]" 1
543 1 91 TYR HA 1 92 VAL H 2.500 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 1
544 1 91 TYR QB 1 92 VAL H 3.000 . 4.300 3.132 3.132 3.132 . 0 0 "[ ]" 1
545 1 91 TYR HD2 1 92 VAL H 4.000 . 4.300 3.453 3.453 3.453 . 0 0 "[ ]" 1
546 1 92 VAL H 1 92 VAL HB 3.000 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 1
547 1 92 VAL H 1 92 VAL MG2 2.500 . 3.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
548 1 92 VAL H 1 92 VAL MG1 4.000 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1
549 1 92 VAL H 1 93 GLY H 4.000 . 4.300 3.911 3.911 3.911 . 0 0 "[ ]" 1
550 1 92 VAL H 1 94 ARG H 4.000 . 4.300 4.284 4.284 4.284 . 0 0 "[ ]" 1
551 1 92 VAL H 1 95 LYS QB 3.000 . 4.300 3.933 3.933 3.933 . 0 0 "[ ]" 1
552 1 92 VAL H 1 95 LYS H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 1
553 1 92 VAL H 1 96 PRO HA 4.000 . 4.300 3.452 3.452 3.452 . 0 0 "[ ]" 1
554 1 92 VAL H 1 97 LYS QG 4.000 . 5.300 3.587 3.587 3.587 . 0 0 "[ ]" 1
555 1 91 TYR HB3 1 93 GLY H 4.000 . 4.300 3.946 3.946 3.946 . 0 0 "[ ]" 1
556 1 92 VAL HA 1 93 GLY H 2.500 . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 1
557 1 92 VAL HB 1 93 GLY H 4.000 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 1
558 1 92 VAL MG1 1 93 GLY H 3.000 . 4.300 3.450 3.450 3.450 . 0 0 "[ ]" 1
559 1 93 GLY H 1 93 GLY HA2 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
560 1 93 GLY H 1 93 GLY HA3 3.000 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 1
561 1 93 GLY HA3 1 94 ARG H 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
562 1 93 GLY HA2 1 94 ARG H 4.000 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1
563 1 94 ARG H 1 94 ARG HB3 4.000 . 4.300 3.894 3.894 3.894 . 0 0 "[ ]" 1
564 1 94 ARG H 1 94 ARG HB2 2.500 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
565 1 94 ARG H 1 94 ARG QG 2.500 . 3.800 2.965 2.965 2.965 . 0 0 "[ ]" 1
566 1 94 ARG H 1 94 ARG QD 4.000 . 5.300 4.709 4.709 4.709 . 0 0 "[ ]" 1
567 1 94 ARG H 1 95 LYS H 2.500 . 2.800 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
568 1 91 TYR HD2 1 95 LYS H 4.000 . 4.300 3.834 3.834 3.834 . 0 0 "[ ]" 1
569 1 92 VAL MG2 1 95 LYS H 4.000 . 5.300 4.310 4.310 4.310 . 0 0 "[ ]" 1
570 1 94 ARG HA 1 95 LYS H 3.000 . 3.300 3.342 3.342 3.342 0.042 1 0 "[ ]" 1
571 1 94 ARG HB2 1 95 LYS H 3.000 . 3.300 3.422 3.422 3.422 0.122 1 0 "[ ]" 1
572 1 94 ARG HB3 1 95 LYS H 4.000 . 4.300 4.290 4.290 4.290 . 0 0 "[ ]" 1
573 1 94 ARG QG 1 95 LYS H 4.000 . 5.300 4.189 4.189 4.189 . 0 0 "[ ]" 1
574 1 95 LYS H 1 95 LYS HA 3.000 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1
575 1 95 LYS H 1 95 LYS QB 2.500 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
576 1 95 LYS H 1 95 LYS QG 3.000 . 4.300 3.525 3.525 3.525 . 0 0 "[ ]" 1
577 1 89 VAL MG1 1 97 LYS H 3.000 . 4.300 3.284 3.284 3.284 . 0 0 "[ ]" 1
578 1 91 TYR HA 1 97 LYS H 4.000 . 4.300 3.231 3.231 3.231 . 0 0 "[ ]" 1
579 1 96 PRO HA 1 97 LYS H 2.500 . 2.800 2.276 2.276 2.276 . 0 0 "[ ]" 1
580 1 96 PRO QB 1 97 LYS H 3.000 . 4.300 3.207 3.207 3.207 . 0 0 "[ ]" 1
581 1 96 PRO QG 1 97 LYS H 4.000 . 5.300 4.729 4.729 4.729 . 0 0 "[ ]" 1
582 1 89 VAL MG1 1 98 VAL H 4.000 . 5.300 3.840 3.840 3.840 . 0 0 "[ ]" 1
583 1 97 LYS HA 1 98 VAL H 2.500 . 2.800 2.194 2.194 2.194 . 0 0 "[ ]" 1
584 1 97 LYS QB 1 98 VAL H 3.000 . 4.300 3.244 3.244 3.244 . 0 0 "[ ]" 1
585 1 97 LYS QG 1 98 VAL H 4.000 . 5.300 4.399 4.399 4.399 . 0 0 "[ ]" 1
586 1 97 LYS QD 1 98 VAL H 4.000 . 5.300 4.693 4.693 4.693 . 0 0 "[ ]" 1
587 1 98 VAL H 1 98 VAL HA 3.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 1
588 1 98 VAL H 1 98 VAL HB 2.500 . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 1
589 1 98 VAL H 1 98 VAL QG 2.500 . 4.500 2.564 2.564 2.564 . 0 0 "[ ]" 1
590 1 88 ILE HG12 1 99 GLU H 3.000 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1
591 1 88 ILE HG13 1 99 GLU H 3.000 . 3.300 3.185 3.185 3.185 . 0 0 "[ ]" 1
592 1 88 ILE MG 1 99 GLU H 4.000 . 5.300 4.382 4.382 4.382 . 0 0 "[ ]" 1
593 1 89 VAL HA 1 99 GLU H 4.000 . 4.300 3.268 3.268 3.268 . 0 0 "[ ]" 1
594 1 98 VAL HA 1 99 GLU H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
595 1 98 VAL HB 1 99 GLU H 4.000 . 4.300 4.128 4.128 4.128 . 0 0 "[ ]" 1
596 1 98 VAL QG 1 99 GLU H 2.500 . 4.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
597 1 99 GLU H 1 99 GLU HA 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 1
598 1 99 GLU H 1 99 GLU HB2 3.000 . 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 1
599 1 99 GLU H 1 99 GLU HB3 3.000 . 3.300 3.336 3.336 3.336 0.036 1 0 "[ ]" 1
600 1 99 GLU H 1 99 GLU QG 4.000 . 5.300 3.961 3.961 3.961 . 0 0 "[ ]" 1
601 1 99 GLU HA 1 100 GLN H 3.000 . 3.300 2.816 2.816 2.816 . 0 0 "[ ]" 1
602 1 99 GLU HB2 1 100 GLN H 3.000 . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 1
603 1 99 GLU HB3 1 100 GLN H 2.500 . 2.800 1.866 1.866 1.866 . 0 0 "[ ]" 1
604 1 99 GLU QG 1 100 GLN H 3.000 . 4.300 2.698 2.698 2.698 . 0 0 "[ ]" 1
605 1 100 GLN H 1 100 GLN HB2 2.500 . 2.800 2.883 2.883 2.883 0.083 1 0 "[ ]" 1
606 1 100 GLN H 1 100 GLN HB3 4.000 . 4.300 3.935 3.935 3.935 . 0 0 "[ ]" 1
607 1 100 GLN H 1 100 GLN QG 3.000 . 4.300 2.880 2.880 2.880 . 0 0 "[ ]" 1
608 1 100 GLN H 1 101 LEU MD2 4.000 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
609 1 87 PRO HA 1 101 LEU H 4.000 . 4.300 4.041 4.041 4.041 . 0 0 "[ ]" 1
610 1 88 ILE MG 1 101 LEU H 3.000 . 4.300 2.843 2.843 2.843 . 0 0 "[ ]" 1
611 1 100 GLN HA 1 101 LEU H 2.500 . 2.800 2.370 2.370 2.370 . 0 0 "[ ]" 1
612 1 100 GLN HB2 1 101 LEU H 4.000 . 4.300 4.402 4.402 4.402 0.102 1 0 "[ ]" 1
613 1 100 GLN HB3 1 101 LEU H 4.000 . 4.300 4.181 4.181 4.181 . 0 0 "[ ]" 1
614 1 100 GLN QG 1 101 LEU H 4.000 . 5.300 4.476 4.476 4.476 . 0 0 "[ ]" 1
615 1 101 LEU H 1 101 LEU HB2 2.500 . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 1
616 1 101 LEU H 1 101 LEU HB3 4.000 . 4.300 3.630 3.630 3.630 . 0 0 "[ ]" 1
617 1 101 LEU H 1 101 LEU HG 2.500 . 2.800 2.069 2.069 2.069 . 0 0 "[ ]" 1
618 1 101 LEU H 1 101 LEU MD1 4.000 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 1
619 1 101 LEU H 1 101 LEU MD2 3.000 . 4.300 2.304 2.304 2.304 . 0 0 "[ ]" 1
620 1 101 LEU HA 1 102 SER H 2.500 . 2.800 2.241 2.241 2.241 . 0 0 "[ ]" 1
621 1 101 LEU HB3 1 102 SER H 2.500 . 2.800 2.878 2.878 2.878 0.078 1 0 "[ ]" 1
622 1 101 LEU HB2 1 102 SER H 4.000 . 4.300 3.852 3.852 3.852 . 0 0 "[ ]" 1
623 1 101 LEU MD2 1 102 SER H 3.000 . 4.300 3.564 3.564 3.564 . 0 0 "[ ]" 1
624 1 102 SER H 1 102 SER HA 3.000 . 3.300 2.983 2.983 2.983 . 0 0 "[ ]" 1
625 1 102 SER H 1 102 SER QB 2.500 . 3.800 2.500 2.500 2.500 . 0 0 "[ ]" 1
626 1 85 PRO HA 1 103 ASN H 3.000 . 3.300 2.612 2.612 2.612 . 0 0 "[ ]" 1
627 1 85 PRO QB 1 103 ASN H 4.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 1
628 1 85 PRO QG 1 103 ASN H 4.000 . 5.300 4.790 4.790 4.790 . 0 0 "[ ]" 1
629 1 102 SER HA 1 103 ASN H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
630 1 102 SER QB 1 103 ASN H 3.000 . 4.300 2.952 2.952 2.952 . 0 0 "[ ]" 1
631 1 103 ASN H 1 103 ASN HA 3.000 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1
632 1 103 ASN H 1 103 ASN HB2 4.000 . 4.300 3.435 3.435 3.435 . 0 0 "[ ]" 1
633 1 103 ASN H 1 103 ASN HB3 4.000 . 4.300 4.111 4.111 4.111 . 0 0 "[ ]" 1
634 1 103 ASN H 1 104 MET H 3.000 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 1
635 1 85 PRO HA 1 104 MET H 3.000 . 3.300 2.557 2.557 2.557 . 0 0 "[ ]" 1
636 1 103 ASN HA 1 104 MET H 3.000 . 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1
637 1 103 ASN HB2 1 104 MET H 4.000 . 4.300 4.055 4.055 4.055 . 0 0 "[ ]" 1
638 1 103 ASN HB3 1 104 MET H 4.000 . 4.300 4.376 4.376 4.376 0.076 1 0 "[ ]" 1
639 1 104 MET H 1 105 ILE H 3.000 . 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 1
640 1 83 LEU HA 1 105 ILE H 4.000 . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 1
641 1 83 LEU HB2 1 105 ILE H 4.000 . 4.300 4.331 4.331 4.331 0.031 1 0 "[ ]" 1
642 1 83 LEU MD2 1 105 ILE H 4.000 . 5.300 2.859 2.859 2.859 . 0 0 "[ ]" 1
643 1 103 ASN HA 1 105 ILE H 4.000 . 4.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
644 1 104 MET HA 1 105 ILE H 4.000 . 4.300 3.057 3.057 3.057 . 0 0 "[ ]" 1
645 1 104 MET QB 1 105 ILE H 4.000 . 5.300 3.681 3.681 3.681 . 0 0 "[ ]" 1
646 1 105 ILE H 1 105 ILE HB 3.000 . 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 1
647 1 105 ILE H 1 105 ILE MG 4.000 . 5.300 3.952 3.952 3.952 . 0 0 "[ ]" 1
648 1 105 ILE H 1 105 ILE MD 4.000 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 1
649 1 41 ALA HA 1 106 VAL H 4.000 . 4.300 3.446 3.446 3.446 . 0 0 "[ ]" 1
650 1 42 ASN QB 1 106 VAL H 3.000 . 4.300 2.818 2.818 2.818 . 0 0 "[ ]" 1
651 1 83 LEU MD2 1 106 VAL H 4.000 . 5.300 3.888 3.888 3.888 . 0 0 "[ ]" 1
652 1 105 ILE HA 1 106 VAL H 3.000 . 3.300 2.474 2.474 2.474 . 0 0 "[ ]" 1
653 1 105 ILE HB 1 106 VAL H 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 1
654 1 105 ILE MG 1 106 VAL H 2.500 . 3.800 1.781 1.781 1.781 0.019 1 0 "[ ]" 1
655 1 105 ILE MD 1 106 VAL H 4.000 . 5.300 4.379 4.379 4.379 . 0 0 "[ ]" 1
656 1 106 VAL H 1 106 VAL HB 3.000 . 3.300 2.423 2.423 2.423 . 0 0 "[ ]" 1
657 1 106 VAL H 1 106 VAL MG1 3.000 . 4.300 3.702 3.702 3.702 . 0 0 "[ ]" 1
658 1 106 VAL H 1 106 VAL MG2 2.500 . 3.800 2.985 2.985 2.985 . 0 0 "[ ]" 1
659 1 82 ALA MB 1 107 ARG H 4.000 . 5.300 3.537 3.537 3.537 . 0 0 "[ ]" 1
660 1 83 LEU HA 1 107 ARG H 3.000 . 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 1
661 1 83 LEU MD2 1 107 ARG H 4.000 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1
662 1 106 VAL HA 1 107 ARG H 2.500 . 2.800 2.314 2.314 2.314 . 0 0 "[ ]" 1
663 1 106 VAL MG1 1 107 ARG H 3.000 . 4.300 2.172 2.172 2.172 . 0 0 "[ ]" 1
664 1 106 VAL MG2 1 107 ARG H 4.000 . 5.300 3.612 3.612 3.612 . 0 0 "[ ]" 1
665 1 107 ARG H 1 107 ARG QB 3.000 . 4.300 2.723 2.723 2.723 . 0 0 "[ ]" 1
666 1 107 ARG H 1 108 SER H 2.500 . 2.800 1.867 1.867 1.867 . 0 0 "[ ]" 1
667 1 4 THR MG 1 108 SER H 4.000 . 5.300 3.301 3.301 3.301 . 0 0 "[ ]" 1
668 1 82 ALA MB 1 108 SER H 4.000 . 5.300 3.928 3.928 3.928 . 0 0 "[ ]" 1
669 1 106 VAL HA 1 108 SER H 4.000 . 4.300 3.813 3.813 3.813 . 0 0 "[ ]" 1
670 1 106 VAL MG1 1 108 SER H 2.500 . 3.800 1.955 1.955 1.955 . 0 0 "[ ]" 1
671 1 106 VAL MG2 1 108 SER H 4.000 . 5.300 4.169 4.169 4.169 . 0 0 "[ ]" 1
672 1 107 ARG HA 1 108 SER H 4.000 . 4.300 3.159 3.159 3.159 . 0 0 "[ ]" 1
673 1 107 ARG QB 1 108 SER H 3.000 . 4.300 3.574 3.574 3.574 . 0 0 "[ ]" 1
674 1 2 LEU HB2 1 109 CYS H 4.000 . 4.300 3.989 3.989 3.989 . 0 0 "[ ]" 1
675 1 3 ASP HA 1 109 CYS H 3.000 . 3.300 2.438 2.438 2.438 . 0 0 "[ ]" 1
676 1 4 THR MG 1 109 CYS H 4.000 . 5.300 4.336 4.336 4.336 . 0 0 "[ ]" 1
677 1 17 VAL HB 1 109 CYS H 4.000 . 4.300 3.123 3.123 3.123 . 0 0 "[ ]" 1
678 1 17 VAL MG1 1 109 CYS H 4.000 . 5.300 3.868 3.868 3.868 . 0 0 "[ ]" 1
679 1 106 VAL MG1 1 109 CYS H 4.000 . 5.300 4.083 4.083 4.083 . 0 0 "[ ]" 1
680 1 108 SER HA 1 109 CYS H 3.000 . 3.300 2.195 2.195 2.195 . 0 0 "[ ]" 1
681 1 108 SER QB 1 109 CYS H 2.500 . 3.800 3.292 3.292 3.292 . 0 0 "[ ]" 1
682 1 109 CYS H 1 109 CYS HB3 4.000 . 4.300 3.663 3.663 3.663 . 0 0 "[ ]" 1
683 1 109 CYS H 1 109 CYS HB2 3.000 . 3.300 2.440 2.440 2.440 . 0 0 "[ ]" 1
684 1 79 VAL MG1 1 110 LYS H 4.000 . 5.300 4.399 4.399 4.399 . 0 0 "[ ]" 1
685 1 79 VAL MG2 1 110 LYS H 4.000 . 5.300 3.324 3.324 3.324 . 0 0 "[ ]" 1
686 1 109 CYS HA 1 110 LYS H 2.500 . 2.800 2.717 2.717 2.717 . 0 0 "[ ]" 1
687 1 109 CYS HB3 1 110 LYS H 3.000 . 3.300 1.954 1.954 1.954 . 0 0 "[ ]" 1
688 1 109 CYS HB2 1 110 LYS H 4.000 . 4.300 3.164 3.164 3.164 . 0 0 "[ ]" 1
689 1 110 LYS HA 1 111 CYS H 3.000 . 3.300 3.120 3.120 3.120 . 0 0 "[ ]" 1
690 1 110 LYS QB 1 111 CYS H 2.500 . 3.800 1.931 1.931 1.931 . 0 0 "[ ]" 1
691 1 111 CYS H 1 111 CYS HB2 4.000 . 4.300 2.810 2.810 2.810 . 0 0 "[ ]" 1
692 1 111 CYS H 1 111 CYS HB3 4.000 . 4.300 3.847 3.847 3.847 . 0 0 "[ ]" 1
693 1 78 CYS HA 1 112 SER H 4.000 . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 1
694 1 79 VAL MG1 1 112 SER H 3.000 . 4.300 2.210 2.210 2.210 . 0 0 "[ ]" 1
695 1 79 VAL MG2 1 112 SER H 2.500 . 3.800 3.031 3.031 3.031 . 0 0 "[ ]" 1
696 1 111 CYS HA 1 112 SER H 2.500 . 2.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
697 1 111 CYS HB3 1 112 SER H 4.000 . 4.300 4.047 4.047 4.047 . 0 0 "[ ]" 1
698 1 2 LEU HA 1 2 LEU HB3 3.000 . 3.300 2.401 2.401 2.401 . 0 0 "[ ]" 1
699 1 2 LEU HA 1 2 LEU HG 4.000 . 4.300 3.280 3.280 3.280 . 0 0 "[ ]" 1
700 1 2 LEU HA 1 2 LEU MD1 4.000 . 5.300 3.760 3.760 3.760 . 0 0 "[ ]" 1
701 1 2 LEU HA 1 2 LEU MD2 2.500 . 3.800 1.820 1.820 1.820 . 0 0 "[ ]" 1
702 1 2 LEU HA 1 6 TYR HD2 3.000 . 3.300 3.151 3.151 3.151 . 0 0 "[ ]" 1
703 1 2 LEU HA 1 16 CYS HA 4.000 . 4.300 3.807 3.807 3.807 . 0 0 "[ ]" 1
704 1 2 LEU HB2 1 2 LEU MD1 3.000 . 4.300 2.367 2.367 2.367 . 0 0 "[ ]" 1
705 1 2 LEU MD1 1 15 CYS QB 4.000 . 6.300 2.153 2.153 2.153 . 0 0 "[ ]" 1
706 1 2 LEU MD1 1 52 TRP HZ2 4.000 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1
707 1 2 LEU MD1 1 53 SER QB 3.000 . 5.300 2.891 2.891 2.891 . 0 0 "[ ]" 1
708 1 2 LEU MD1 1 109 CYS HB2 4.000 . 5.300 4.233 4.233 4.233 . 0 0 "[ ]" 1
709 1 2 LEU HB3 1 2 LEU MD2 3.000 . 4.300 2.471 2.471 2.471 . 0 0 "[ ]" 1
710 1 2 LEU MD2 1 52 TRP HZ2 2.500 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
711 1 3 ASP HA 1 17 VAL MG1 3.000 . 4.300 3.076 3.076 3.076 . 0 0 "[ ]" 1
712 1 3 ASP HA 1 108 SER HA 3.000 . 3.300 1.875 1.875 1.875 . 0 0 "[ ]" 1
713 1 3 ASP HA 1 108 SER QB 3.000 . 4.300 3.200 3.200 3.200 . 0 0 "[ ]" 1
714 1 4 THR HA 1 4 THR HB 3.000 . 3.300 2.335 2.335 2.335 . 0 0 "[ ]" 1
715 1 4 THR HA 1 7 CYS QB 3.000 . 4.300 2.739 2.739 2.739 . 0 0 "[ ]" 1
716 1 4 THR HA 1 4 THR MG 2.500 . 3.800 2.541 2.541 2.541 . 0 0 "[ ]" 1
717 1 4 THR HA 1 17 VAL MG2 4.000 . 5.300 3.436 3.436 3.436 . 0 0 "[ ]" 1
718 1 4 THR HB 1 17 VAL MG2 4.000 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
719 1 4 THR MG 1 17 VAL MG1 3.000 . 5.300 1.925 1.925 1.925 . 0 0 "[ ]" 1
720 1 4 THR MG 1 17 VAL HB 4.000 . 5.300 3.479 3.479 3.479 . 0 0 "[ ]" 1
721 1 4 THR MG 1 17 VAL MG2 3.000 . 5.300 1.961 1.961 1.961 . 0 0 "[ ]" 1
722 1 4 THR MG 1 106 VAL MG1 3.000 . 5.300 2.643 2.643 2.643 . 0 0 "[ ]" 1
723 1 4 THR MG 1 107 ARG QG 4.000 . 6.300 3.441 3.441 3.441 . 0 0 "[ ]" 1
724 1 6 TYR HA 1 6 TYR HB2 2.500 . 2.800 2.391 2.391 2.391 . 0 0 "[ ]" 1
725 1 6 TYR HA 1 6 TYR HB3 3.000 . 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 1
726 1 2 LEU MD2 1 6 TYR HD2 3.000 . 4.300 3.060 3.060 3.060 . 0 0 "[ ]" 1
727 1 6 TYR HA 1 6 TYR HD1 2.500 . 2.800 2.714 2.714 2.714 . 0 0 "[ ]" 1
728 1 6 TYR HD2 1 52 TRP HZ2 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 1
729 1 6 TYR HE2 1 52 TRP HH2 4.000 . 4.300 3.986 3.986 3.986 . 0 0 "[ ]" 1
730 1 2 LEU MD2 1 6 TYR HE2 3.000 . 4.300 3.508 3.508 3.508 . 0 0 "[ ]" 1
731 1 6 TYR HE2 1 12 GLU QB 4.000 . 5.300 4.021 4.021 4.021 . 0 0 "[ ]" 1
732 1 6 TYR HE2 1 12 GLU QG 3.000 . 4.300 2.969 2.969 2.969 . 0 0 "[ ]" 1
733 1 6 TYR HE2 1 52 TRP HZ2 3.000 . 3.300 2.726 2.726 2.726 . 0 0 "[ ]" 1
734 1 7 CYS HA 1 7 CYS HB3 3.000 . 3.300 2.532 2.532 2.532 . 0 0 "[ ]" 1
735 1 7 CYS HA 1 16 CYS QB 4.000 . 5.300 4.117 4.117 4.117 . 0 0 "[ ]" 1
736 1 7 CYS QB 1 16 CYS QB 4.000 . 6.300 3.264 3.264 3.264 . 0 0 "[ ]" 1
737 1 7 CYS QB 1 17 VAL MG1 2.500 . 4.800 1.774 1.774 1.774 0.026 1 0 "[ ]" 1
738 1 7 CYS QB 1 17 VAL MG2 3.000 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1
739 1 7 CYS QB 1 18 ARG HA 4.000 . 5.300 3.437 3.437 3.437 . 0 0 "[ ]" 1
740 1 8 PHE HA 1 8 PHE HB3 2.500 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
741 1 8 PHE HB2 1 8 PHE HD1 3.000 . 3.300 3.292 3.292 3.292 . 0 0 "[ ]" 1
742 1 8 PHE HB3 1 8 PHE HD2 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 1
743 1 8 PHE HE1 1 17 VAL MG1 4.000 . 5.300 3.481 3.481 3.481 . 0 0 "[ ]" 1
744 1 8 PHE HE1 1 19 GLN HA 3.000 . 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 1
745 1 8 PHE HE1 1 19 GLN HB2 4.000 . 4.300 4.309 4.309 4.309 0.009 1 0 "[ ]" 1
746 1 9 SER QB 1 10 SER QB 4.000 . 6.300 3.130 3.130 3.130 . 0 0 "[ ]" 1
747 1 10 SER HA 1 10 SER QB 2.500 . 3.800 2.497 2.497 2.497 . 0 0 "[ ]" 1
748 1 11 THR HA 1 11 THR MG 2.500 . 3.800 2.124 2.124 2.124 . 0 0 "[ ]" 1
749 1 12 GLU QG 1 52 TRP HZ2 4.000 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
750 1 15 CYS HA 1 78 CYS QB 3.000 . 4.300 2.170 2.170 2.170 . 0 0 "[ ]" 1
751 1 15 CYS QB 1 48 CYS HA 4.000 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 1
752 1 15 CYS QB 1 78 CYS HB2 3.000 . 4.300 1.837 1.837 1.837 . 0 0 "[ ]" 1
753 1 15 CYS QB 1 78 CYS HB3 4.000 . 5.300 3.462 3.462 3.462 . 0 0 "[ ]" 1
754 1 2 LEU MD2 1 16 CYS HA 3.000 . 4.300 3.336 3.336 3.336 . 0 0 "[ ]" 1
755 1 16 CYS HA 1 109 CYS QB 4.000 . 5.300 4.245 4.245 4.245 . 0 0 "[ ]" 1
756 1 17 VAL HA 1 44 CYS HA 2.500 . 2.800 2.011 2.011 2.011 . 0 0 "[ ]" 1
757 1 17 VAL HA 1 44 CYS HB3 4.000 . 4.300 3.339 3.339 3.339 . 0 0 "[ ]" 1
758 1 17 VAL HA 1 17 VAL MG2 2.500 . 3.800 2.330 2.330 2.330 . 0 0 "[ ]" 1
759 1 17 VAL MG2 1 42 ASN HA 4.000 . 5.300 3.803 3.803 3.803 . 0 0 "[ ]" 1
760 1 17 VAL MG2 1 42 ASN QB 2.500 . 4.800 2.432 2.432 2.432 . 0 0 "[ ]" 1
761 1 17 VAL MG2 1 43 PHE HD1 4.000 . 5.300 3.478 3.478 3.478 . 0 0 "[ ]" 1
762 1 17 VAL MG2 1 44 CYS HA 3.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 1
763 1 17 VAL MG2 1 106 VAL HB 4.000 . 5.300 3.616 3.616 3.616 . 0 0 "[ ]" 1
764 1 17 VAL MG1 1 108 SER HA 4.000 . 5.300 3.848 3.848 3.848 . 0 0 "[ ]" 1
765 1 17 VAL MG2 1 108 SER HA 4.000 . 5.300 4.291 4.291 4.291 . 0 0 "[ ]" 1
766 1 19 GLN HA 1 42 ASN HA 4.000 . 4.300 2.892 2.892 2.892 . 0 0 "[ ]" 1
767 1 19 GLN HA 1 43 PHE HD1 4.000 . 4.300 4.239 4.239 4.239 . 0 0 "[ ]" 1
768 1 20 LEU HA 1 20 LEU HG 4.000 . 4.300 3.072 3.072 3.072 . 0 0 "[ ]" 1
769 1 20 LEU HA 1 20 LEU MD1 2.500 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 1
770 1 20 LEU HA 1 43 PHE HD1 4.000 . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 1
771 1 20 LEU QB 1 43 PHE HE1 3.000 . 4.300 3.177 3.177 3.177 . 0 0 "[ ]" 1
772 1 20 LEU QB 1 43 PHE HD1 2.500 . 3.800 2.112 2.112 2.112 . 0 0 "[ ]" 1
773 1 20 LEU MD2 1 22 ILE MD 3.000 . 5.300 2.885 2.885 2.885 . 0 0 "[ ]" 1
774 1 20 LEU QB 1 20 LEU MD2 2.500 . 4.800 2.106 2.106 2.106 . 0 0 "[ ]" 1
775 1 20 LEU MD2 1 41 ALA MB 3.000 . 5.300 2.970 2.970 2.970 . 0 0 "[ ]" 1
776 1 20 LEU MD2 1 43 PHE HD2 3.000 . 4.300 2.764 2.764 2.764 . 0 0 "[ ]" 1
777 1 20 LEU MD1 1 43 PHE QB 3.000 . 5.300 3.824 3.824 3.824 . 0 0 "[ ]" 1
778 1 20 LEU MD1 1 43 PHE HD1 4.000 . 5.300 3.913 3.913 3.913 . 0 0 "[ ]" 1
779 1 20 LEU MD1 1 43 PHE HE1 4.000 . 5.300 3.675 3.675 3.675 . 0 0 "[ ]" 1
780 1 21 TYR HA 1 21 TYR HB2 3.000 . 3.300 2.446 2.446 2.446 . 0 0 "[ ]" 1
781 1 21 TYR HA 1 21 TYR HD2 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
782 1 21 TYR HA 1 40 HIS HA 2.500 . 2.800 2.263 2.263 2.263 . 0 0 "[ ]" 1
783 1 21 TYR HB2 1 21 TYR HD2 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 1
784 1 21 TYR HD2 1 40 HIS HA 3.000 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 1
785 1 21 TYR HD2 1 40 HIS HD2 4.000 . 4.300 4.200 4.200 4.200 . 0 0 "[ ]" 1
786 1 21 TYR HD2 1 40 HIS HE1 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 1
787 1 21 TYR HB3 1 21 TYR HD1 3.000 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 1
788 1 21 TYR HD1 1 23 ASP QB 4.000 . 5.300 3.526 3.526 3.526 . 0 0 "[ ]" 1
789 1 21 TYR HE2 1 40 HIS HE1 4.000 . 4.300 4.262 4.262 4.262 . 0 0 "[ ]" 1
790 1 21 TYR HE1 1 23 ASP HB3 3.000 . 3.300 3.348 3.348 3.348 0.048 1 0 "[ ]" 1
791 1 21 TYR HE1 1 23 ASP HB2 3.000 . 3.300 1.870 1.870 1.870 . 0 0 "[ ]" 1
792 1 21 TYR HE1 1 38 GLY QA 3.000 . 4.300 2.753 2.753 2.753 . 0 0 "[ ]" 1
793 1 22 ILE HA 1 22 ILE HG13 4.000 . 4.300 3.218 3.218 3.218 . 0 0 "[ ]" 1
794 1 22 ILE HA 1 22 ILE MG 3.000 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 1
795 1 22 ILE HA 1 22 ILE MD 4.000 . 5.300 3.726 3.726 3.726 . 0 0 "[ ]" 1
796 1 22 ILE HB 1 22 ILE HG13 3.000 . 3.300 2.408 2.408 2.408 . 0 0 "[ ]" 1
797 1 22 ILE HB 1 39 TYR HD1 4.000 . 4.300 3.357 3.357 3.357 . 0 0 "[ ]" 1
798 1 22 ILE MD 1 22 ILE MG 2.500 . 4.800 1.888 1.888 1.888 . 0 0 "[ ]" 1
799 1 22 ILE MG 1 27 ASP HB3 2.500 . 3.800 2.378 2.378 2.378 . 0 0 "[ ]" 1
800 1 22 ILE MG 1 27 ASP HB2 2.500 . 3.800 1.858 1.858 1.858 . 0 0 "[ ]" 1
801 1 22 ILE MG 1 28 LEU HG 3.000 . 4.300 1.957 1.957 1.957 . 0 0 "[ ]" 1
802 1 22 ILE MG 1 28 LEU MD1 3.000 . 5.300 2.173 2.173 2.173 . 0 0 "[ ]" 1
803 1 22 ILE MG 1 28 LEU MD2 3.000 . 5.300 2.711 2.711 2.711 . 0 0 "[ ]" 1
804 1 22 ILE MG 1 39 TYR HD1 4.000 . 5.300 4.312 4.312 4.312 . 0 0 "[ ]" 1
805 1 22 ILE MG 1 41 ALA MB 4.000 . 6.300 3.705 3.705 3.705 . 0 0 "[ ]" 1
806 1 22 ILE MD 1 28 LEU HG 4.000 . 5.300 3.522 3.522 3.522 . 0 0 "[ ]" 1
807 1 22 ILE MD 1 41 ALA MB 2.500 . 4.800 2.014 2.014 2.014 . 0 0 "[ ]" 1
808 1 23 ASP HA 1 38 GLY QA 2.500 . 3.800 1.883 1.883 1.883 . 0 0 "[ ]" 1
809 1 21 TYR HE1 1 23 ASP HA 3.000 . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 1
810 1 24 PHE HA 1 30 TRP HB2 4.000 . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 1
811 1 24 PHE HB2 1 37 LYS HA 4.000 . 4.300 3.326 3.326 3.326 . 0 0 "[ ]" 1
812 1 24 PHE HD1 1 33 ILE MD 3.000 . 4.300 3.095 3.095 3.095 . 0 0 "[ ]" 1
813 1 24 PHE HD1 1 33 ILE MG 3.000 . 4.300 3.473 3.473 3.473 . 0 0 "[ ]" 1
814 1 24 PHE HD2 1 33 ILE MG 4.000 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 1
815 1 24 PHE HD1 1 104 MET ME 4.000 . 5.300 3.665 3.665 3.665 . 0 0 "[ ]" 1
816 1 24 PHE HD2 1 37 LYS HA 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 1
817 1 24 PHE HD2 1 38 GLY QA 2.500 . 3.800 2.261 2.261 2.261 . 0 0 "[ ]" 1
818 1 24 PHE HE1 1 28 LEU MD1 4.000 . 5.300 3.940 3.940 3.940 . 0 0 "[ ]" 1
819 1 24 PHE HE1 1 33 ILE MG 4.000 . 5.300 3.371 3.371 3.371 . 0 0 "[ ]" 1
820 1 24 PHE HE2 1 33 ILE MG 3.000 . 4.300 3.513 3.513 3.513 . 0 0 "[ ]" 1
821 1 24 PHE HE1 1 33 ILE MD 3.000 . 4.300 2.128 2.128 2.128 . 0 0 "[ ]" 1
822 1 24 PHE HE2 1 33 ILE MD 4.000 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1
823 1 24 PHE HE2 1 36 PRO QG 3.000 . 4.300 2.443 2.443 2.443 . 0 0 "[ ]" 1
824 1 24 PHE HE2 1 86 LEU MD2 3.000 . 4.300 3.468 3.468 3.468 . 0 0 "[ ]" 1
825 1 24 PHE HE2 1 86 LEU MD1 3.000 . 4.300 2.529 2.529 2.529 . 0 0 "[ ]" 1
826 1 24 PHE HE2 1 88 ILE MG 4.000 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 1
827 1 24 PHE HE1 1 104 MET ME 2.500 . 3.800 1.833 1.833 1.833 . 0 0 "[ ]" 1
828 1 24 PHE HZ 1 33 ILE MG 4.000 . 5.300 3.350 3.350 3.350 . 0 0 "[ ]" 1
829 1 24 PHE HZ 1 33 ILE MD 4.000 . 5.300 2.897 2.897 2.897 . 0 0 "[ ]" 1
830 1 24 PHE HZ 1 39 TYR HD1 4.000 . 4.300 4.316 4.316 4.316 0.016 1 0 "[ ]" 1
831 1 24 PHE HZ 1 86 LEU MD2 2.500 . 3.800 1.715 1.715 1.715 0.085 1 0 "[ ]" 1
832 1 24 PHE HZ 1 86 LEU MD1 3.000 . 4.300 2.395 2.395 2.395 . 0 0 "[ ]" 1
833 1 24 PHE HZ 1 88 ILE MG 3.000 . 4.300 2.708 2.708 2.708 . 0 0 "[ ]" 1
834 1 24 PHE HZ 1 101 LEU MD1 4.000 . 5.300 3.099 3.099 3.099 . 0 0 "[ ]" 1
835 1 24 PHE HZ 1 104 MET ME 2.500 . 3.800 1.997 1.997 1.997 . 0 0 "[ ]" 1
836 1 28 LEU HA 1 28 LEU HB3 2.500 . 2.800 2.439 2.439 2.439 . 0 0 "[ ]" 1
837 1 28 LEU HA 1 28 LEU MD2 2.500 . 3.800 1.925 1.925 1.925 . 0 0 "[ ]" 1
838 1 24 PHE HA 1 28 LEU MD1 4.000 . 5.300 3.390 3.390 3.390 . 0 0 "[ ]" 1
839 1 28 LEU MD1 1 104 MET ME 3.000 . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1
840 1 24 PHE HD1 1 30 TRP HE3 3.000 . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1
841 1 28 LEU MD1 1 30 TRP HE3 4.000 . 5.300 4.000 4.000 4.000 . 0 0 "[ ]" 1
842 1 30 TRP HB3 1 30 TRP HE3 3.000 . 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 1
843 1 30 TRP HB2 1 30 TRP HE3 3.000 . 3.300 3.210 3.210 3.210 . 0 0 "[ ]" 1
844 1 30 TRP HE3 1 32 TRP HZ2 4.000 . 4.300 3.502 3.502 3.502 . 0 0 "[ ]" 1
845 1 30 TRP HE3 1 33 ILE MD 2.500 . 3.800 1.743 1.743 1.743 0.057 1 0 "[ ]" 1
846 1 30 TRP HE3 1 33 ILE HG13 4.000 . 4.300 3.611 3.611 3.611 . 0 0 "[ ]" 1
847 1 30 TRP HE3 1 33 ILE HG12 4.000 . 4.300 4.354 4.354 4.354 0.054 1 0 "[ ]" 1
848 1 28 LEU MD1 1 30 TRP HH2 4.000 . 5.300 4.063 4.063 4.063 . 0 0 "[ ]" 1
849 1 28 LEU MD1 1 30 TRP HZ2 4.000 . 5.300 3.289 3.289 3.289 . 0 0 "[ ]" 1
850 1 28 LEU MD1 1 30 TRP HZ3 4.000 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 1
851 1 30 TRP HZ3 1 32 TRP HH2 4.000 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 1
852 1 30 TRP HZ3 1 32 TRP HZ2 3.000 . 3.300 2.374 2.374 2.374 . 0 0 "[ ]" 1
853 1 30 TRP HZ3 1 33 ILE MD 2.500 . 3.800 2.176 2.176 2.176 . 0 0 "[ ]" 1
854 1 30 TRP HZ3 1 101 LEU MD1 3.000 . 4.300 2.306 2.306 2.306 . 0 0 "[ ]" 1
855 1 28 LEU HB3 1 30 TRP HD1 3.000 . 3.300 2.614 2.614 2.614 . 0 0 "[ ]" 1
856 1 28 LEU HB2 1 30 TRP HD1 4.000 . 4.300 3.446 3.446 3.446 . 0 0 "[ ]" 1
857 1 28 LEU MD1 1 30 TRP HD1 4.000 . 5.300 3.925 3.925 3.925 . 0 0 "[ ]" 1
858 1 30 TRP HA 1 30 TRP HD1 2.500 . 2.800 2.006 2.006 2.006 . 0 0 "[ ]" 1
859 1 32 TRP HA 1 32 TRP HE3 4.000 . 4.300 4.296 4.296 4.296 . 0 0 "[ ]" 1
860 1 32 TRP HB3 1 32 TRP HE3 4.000 . 4.300 4.076 4.076 4.076 . 0 0 "[ ]" 1
861 1 32 TRP HB2 1 32 TRP HE3 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
862 1 32 TRP HE3 1 33 ILE HA 4.000 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 1
863 1 32 TRP HE3 1 33 ILE QG 3.000 . 4.300 3.189 3.189 3.189 . 0 0 "[ ]" 1
864 1 32 TRP HE3 1 33 ILE MD 4.000 . 5.300 4.460 4.460 4.460 . 0 0 "[ ]" 1
865 1 32 TRP HE3 1 88 ILE MD 4.000 . 5.300 4.131 4.131 4.131 . 0 0 "[ ]" 1
866 1 32 TRP HE3 1 90 TYR HB3 4.000 . 4.300 3.364 3.364 3.364 . 0 0 "[ ]" 1
867 1 32 TRP HE3 1 90 TYR HB2 4.000 . 4.300 3.316 3.316 3.316 . 0 0 "[ ]" 1
868 1 32 TRP HZ3 1 88 ILE MD 3.000 . 4.300 2.717 2.717 2.717 . 0 0 "[ ]" 1
869 1 32 TRP HZ3 1 90 TYR HD1 4.000 . 4.300 3.588 3.588 3.588 . 0 0 "[ ]" 1
870 1 32 TRP HZ3 1 101 LEU MD2 4.000 . 5.300 3.275 3.275 3.275 . 0 0 "[ ]" 1
871 1 32 TRP HZ2 1 88 ILE MD 4.000 . 5.300 3.666 3.666 3.666 . 0 0 "[ ]" 1
872 1 30 TRP HA 1 32 TRP HD1 3.000 . 3.300 3.331 3.331 3.331 0.031 1 0 "[ ]" 1
873 1 30 TRP HB3 1 32 TRP HD1 4.000 . 4.300 2.989 2.989 2.989 . 0 0 "[ ]" 1
874 1 32 TRP HA 1 32 TRP HD1 4.000 . 4.300 4.328 4.328 4.328 0.028 1 0 "[ ]" 1
875 1 32 TRP HB3 1 32 TRP HD1 3.000 . 3.300 2.736 2.736 2.736 . 0 0 "[ ]" 1
876 1 32 TRP HD1 1 33 ILE MD 4.000 . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 1
877 1 33 ILE HA 1 33 ILE HG12 3.000 . 3.300 2.404 2.404 2.404 . 0 0 "[ ]" 1
878 1 33 ILE HA 1 33 ILE HG13 3.000 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 1
879 1 33 ILE HA 1 33 ILE MG 3.000 . 4.300 2.581 2.581 2.581 . 0 0 "[ ]" 1
880 1 33 ILE HA 1 33 ILE MD 4.000 . 5.300 3.736 3.736 3.736 . 0 0 "[ ]" 1
881 1 33 ILE HA 1 90 TYR HA 4.000 . 4.300 2.892 2.892 2.892 . 0 0 "[ ]" 1
882 1 33 ILE HA 1 90 TYR HB3 3.000 . 3.300 1.925 1.925 1.925 . 0 0 "[ ]" 1
883 1 33 ILE HA 1 90 TYR HB2 4.000 . 4.300 3.346 3.346 3.346 . 0 0 "[ ]" 1
884 1 33 ILE HB 1 33 ILE HG13 3.000 . 3.300 2.503 2.503 2.503 . 0 0 "[ ]" 1
885 1 33 ILE HB 1 33 ILE MD 3.000 . 4.300 2.354 2.354 2.354 . 0 0 "[ ]" 1
886 1 33 ILE MD 1 33 ILE MG 2.500 . 4.800 1.743 1.743 1.743 0.057 1 0 "[ ]" 1
887 1 33 ILE MG 1 88 ILE QG 3.000 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 1
888 1 33 ILE MG 1 88 ILE MG 3.000 . 5.300 3.117 3.117 3.117 . 0 0 "[ ]" 1
889 1 32 TRP HH2 1 33 ILE MD 3.000 . 4.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
890 1 32 TRP HZ2 1 33 ILE MD 2.500 . 3.800 2.106 2.106 2.106 . 0 0 "[ ]" 1
891 1 33 ILE MD 1 88 ILE MG 3.000 . 5.300 2.547 2.547 2.547 . 0 0 "[ ]" 1
892 1 33 ILE MD 1 88 ILE MD 2.500 . 4.800 1.774 1.774 1.774 0.026 1 0 "[ ]" 1
893 1 33 ILE MD 1 101 LEU MD1 3.000 . 5.300 2.094 2.094 2.094 . 0 0 "[ ]" 1
894 1 33 ILE MD 1 101 LEU MD2 3.000 . 5.300 3.268 3.268 3.268 . 0 0 "[ ]" 1
895 1 33 ILE MD 1 104 MET ME 3.000 . 5.300 2.858 2.858 2.858 . 0 0 "[ ]" 1
896 1 34 HIS HD2 1 89 VAL HB 3.000 . 3.300 3.260 3.260 3.260 . 0 0 "[ ]" 1
897 1 34 HIS HD2 1 91 TYR HE1 4.000 . 4.300 3.904 3.904 3.904 . 0 0 "[ ]" 1
898 1 34 HIS QB 1 89 VAL HB 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 1
899 1 34 HIS QB 1 90 TYR HA 3.000 . 4.300 2.847 2.847 2.847 . 0 0 "[ ]" 1
900 1 34 HIS HA 1 90 TYR HA 4.500 . 4.800 4.739 4.739 4.739 . 0 0 "[ ]" 1
901 1 35 GLU HA 1 36 PRO HA 2.500 . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 1
902 1 35 GLU HB2 1 89 VAL HB 3.000 . 3.300 2.393 2.393 2.393 . 0 0 "[ ]" 1
903 1 35 GLU HB3 1 36 PRO HA 3.000 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
904 1 21 TYR HE2 1 39 TYR HA 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 1
905 1 39 TYR HA 1 39 TYR HD2 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 1
906 1 39 TYR HA 1 39 TYR HD1 4.000 . 4.300 3.982 3.982 3.982 . 0 0 "[ ]" 1
907 1 39 TYR QB 1 39 TYR HD1 3.000 . 4.300 2.616 2.616 2.616 . 0 0 "[ ]" 1
908 1 39 TYR QB 1 39 TYR HD2 3.000 . 4.300 2.294 2.294 2.294 . 0 0 "[ ]" 1
909 1 39 TYR HD2 1 41 ALA HA 3.000 . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1
910 1 39 TYR HD1 1 41 ALA MB 4.000 . 5.300 4.168 4.168 4.168 . 0 0 "[ ]" 1
911 1 39 TYR HD2 1 41 ALA MB 4.000 . 5.300 4.095 4.095 4.095 . 0 0 "[ ]" 1
912 1 39 TYR HD2 1 86 LEU MD1 4.000 . 5.300 3.530 3.530 3.530 . 0 0 "[ ]" 1
913 1 39 TYR HD2 1 105 ILE HA 4.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1
914 1 39 TYR HD2 1 105 ILE HG13 4.000 . 4.300 3.379 3.379 3.379 . 0 0 "[ ]" 1
915 1 39 TYR HD2 1 105 ILE HG12 3.000 . 3.300 1.899 1.899 1.899 . 0 0 "[ ]" 1
916 1 39 TYR HD2 1 105 ILE MG 4.000 . 5.300 3.180 3.180 3.180 . 0 0 "[ ]" 1
917 1 39 TYR HD2 1 105 ILE MD 3.000 . 4.300 2.238 2.238 2.238 . 0 0 "[ ]" 1
918 1 39 TYR HE2 1 41 ALA HA 2.500 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 1
919 1 39 TYR HE1 1 41 ALA MB 3.000 . 4.300 3.053 3.053 3.053 . 0 0 "[ ]" 1
920 1 41 ALA HA 1 105 ILE HA 2.500 . 2.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
921 1 20 LEU QB 1 42 ASN HA 2.500 . 3.800 2.366 2.366 2.366 . 0 0 "[ ]" 1
922 1 42 ASN HB3 1 106 VAL HB 2.500 . 2.800 2.319 2.319 2.319 . 0 0 "[ ]" 1
923 1 42 ASN HB2 1 106 VAL HB 2.500 . 2.800 2.030 2.030 2.030 . 0 0 "[ ]" 1
924 1 17 VAL MG2 1 43 PHE HA 3.000 . 4.300 3.373 3.373 3.373 . 0 0 "[ ]" 1
925 1 43 PHE HA 1 106 VAL MG1 4.000 . 5.300 3.233 3.233 3.233 . 0 0 "[ ]" 1
926 1 43 PHE HA 1 106 VAL MG2 3.000 . 4.300 2.354 2.354 2.354 . 0 0 "[ ]" 1
927 1 18 ARG QG 1 43 PHE HE1 4.000 . 5.300 3.901 3.901 3.901 . 0 0 "[ ]" 1
928 1 43 PHE HE2 1 45 LEU HB2 4.000 . 4.300 4.359 4.359 4.359 0.059 1 0 "[ ]" 1
929 1 43 PHE HE2 1 45 LEU HG 2.500 . 2.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
930 1 43 PHE HD2 1 45 LEU HG 4.000 . 4.300 3.212 3.212 3.212 . 0 0 "[ ]" 1
931 1 43 PHE HE2 1 45 LEU MD1 2.500 . 3.800 1.798 1.798 1.798 0.002 1 0 "[ ]" 1
932 1 43 PHE HD2 1 45 LEU MD2 2.500 . 3.800 2.949 2.949 2.949 . 0 0 "[ ]" 1
933 1 43 PHE HE2 1 45 LEU MD2 2.500 . 3.800 2.454 2.454 2.454 . 0 0 "[ ]" 1
934 1 43 PHE HZ 1 45 LEU MD1 3.000 . 4.300 1.841 1.841 1.841 . 0 0 "[ ]" 1
935 1 43 PHE HZ 1 45 LEU MD2 4.000 . 5.300 4.140 4.140 4.140 . 0 0 "[ ]" 1
936 1 44 CYS QB 1 79 VAL HA 3.000 . 4.300 2.934 2.934 2.934 . 0 0 "[ ]" 1
937 1 44 CYS HB2 1 109 CYS HB3 4.000 . 4.300 3.642 3.642 3.642 . 0 0 "[ ]" 1
938 1 44 CYS HB3 1 109 CYS HB3 3.000 . 3.300 2.682 2.682 2.682 . 0 0 "[ ]" 1
939 1 45 LEU HA 1 45 LEU HB3 3.000 . 3.300 2.573 2.573 2.573 . 0 0 "[ ]" 1
940 1 45 LEU HA 1 45 LEU MD1 4.000 . 5.300 3.692 3.692 3.692 . 0 0 "[ ]" 1
941 1 45 LEU HA 1 45 LEU MD2 2.500 . 3.800 1.801 1.801 1.801 . 0 0 "[ ]" 1
942 1 45 LEU HA 1 45 LEU HG 3.000 . 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 1
943 1 45 LEU HA 1 78 CYS HB3 4.000 . 4.300 4.178 4.178 4.178 . 0 0 "[ ]" 1
944 1 18 ARG QG 1 45 LEU MD1 4.000 . 6.300 4.339 4.339 4.339 . 0 0 "[ ]" 1
945 1 45 LEU HB2 1 45 LEU MD2 3.000 . 4.300 3.180 3.180 3.180 . 0 0 "[ ]" 1
946 1 45 LEU HB3 1 45 LEU MD2 3.000 . 4.300 2.370 2.370 2.370 . 0 0 "[ ]" 1
947 1 46 GLY QA 1 47 PRO QD 2.500 . 4.800 1.820 1.820 1.820 . 0 0 "[ ]" 1
948 1 48 CYS HA 1 49 PRO QD 2.500 . 3.800 1.945 1.945 1.945 . 0 0 "[ ]" 1
949 1 48 CYS QB 1 63 ALA MB 4.000 . 6.300 4.368 4.368 4.368 . 0 0 "[ ]" 1
950 1 48 CYS HB3 1 76 PRO QG 4.000 . 5.300 4.281 4.281 4.281 . 0 0 "[ ]" 1
951 1 48 CYS HB2 1 76 PRO QG 4.000 . 5.300 4.034 4.034 4.034 . 0 0 "[ ]" 1
952 1 48 CYS QB 1 76 PRO QB 4.000 . 6.300 4.797 4.797 4.797 . 0 0 "[ ]" 1
953 1 50 TYR HA 1 63 ALA MB 2.500 . 3.800 2.135 2.135 2.135 . 0 0 "[ ]" 1
954 1 50 TYR HA 1 50 TYR HD1 3.000 . 3.300 2.899 2.899 2.899 . 0 0 "[ ]" 1
955 1 50 TYR QB 1 50 TYR HD1 2.500 . 3.800 2.603 2.603 2.603 . 0 0 "[ ]" 1
956 1 50 TYR QB 1 50 TYR HD2 2.500 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
957 1 50 TYR HD1 1 63 ALA MB 2.500 . 3.800 2.238 2.238 2.238 . 0 0 "[ ]" 1
958 1 50 TYR HD1 1 64 LEU HA 4.000 . 4.300 3.004 3.004 3.004 . 0 0 "[ ]" 1
959 1 50 TYR HD1 1 64 LEU MD1 4.000 . 5.300 3.433 3.433 3.433 . 0 0 "[ ]" 1
960 1 50 TYR HD1 1 64 LEU MD2 3.000 . 4.300 2.644 2.644 2.644 . 0 0 "[ ]" 1
961 1 50 TYR HE1 1 64 LEU HG 3.000 . 3.300 3.203 3.203 3.203 . 0 0 "[ ]" 1
962 1 50 TYR HE1 1 64 LEU MD1 4.000 . 5.300 4.500 4.500 4.500 . 0 0 "[ ]" 1
963 1 50 TYR HE1 1 64 LEU MD2 3.000 . 4.300 2.199 2.199 2.199 . 0 0 "[ ]" 1
964 1 50 TYR HE1 1 67 GLN HB2 3.000 . 3.300 1.849 1.849 1.849 . 0 0 "[ ]" 1
965 1 51 ILE HA 1 51 ILE HB 3.000 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 1
966 1 51 ILE HA 1 51 ILE MG 3.000 . 4.300 2.159 2.159 2.159 . 0 0 "[ ]" 1
967 1 51 ILE HA 1 54 LEU MD1 2.500 . 3.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
968 1 51 ILE HB 1 51 ILE HG13 3.000 . 3.300 2.673 2.673 2.673 . 0 0 "[ ]" 1
969 1 51 ILE HB 1 51 ILE MD 3.000 . 4.300 2.177 2.177 2.177 . 0 0 "[ ]" 1
970 1 51 ILE MD 1 51 ILE MG 3.000 . 5.300 2.422 2.422 2.422 . 0 0 "[ ]" 1
971 1 51 ILE MD 1 52 TRP HE3 3.000 . 4.300 3.329 3.329 3.329 . 0 0 "[ ]" 1
972 1 51 ILE MD 1 52 TRP HZ3 4.000 . 5.300 3.499 3.499 3.499 . 0 0 "[ ]" 1
973 1 50 TYR HD2 1 51 ILE MG 3.000 . 4.300 3.358 3.358 3.358 . 0 0 "[ ]" 1
974 1 51 ILE HG13 1 51 ILE MG 3.000 . 4.300 3.110 3.110 3.110 . 0 0 "[ ]" 1
975 1 51 ILE HG12 1 51 ILE MG 3.000 . 4.300 1.997 1.997 1.997 . 0 0 "[ ]" 1
976 1 52 TRP HA 1 52 TRP HE3 3.000 . 3.300 2.097 2.097 2.097 . 0 0 "[ ]" 1
977 1 52 TRP HA 1 52 TRP HD1 4.000 . 4.300 4.317 4.317 4.317 0.017 1 0 "[ ]" 1
978 1 48 CYS HA 1 52 TRP HD1 4.000 . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 1
979 1 52 TRP QB 1 52 TRP HD1 3.000 . 4.300 2.479 2.479 2.479 . 0 0 "[ ]" 1
980 1 15 CYS HB3 1 52 TRP HD1 2.500 . 2.800 1.846 1.846 1.846 . 0 0 "[ ]" 1
981 1 15 CYS HB2 1 52 TRP HD1 3.000 . 3.300 3.335 3.335 3.335 0.035 1 0 "[ ]" 1
982 1 2 LEU MD1 1 52 TRP HD1 2.500 . 3.800 1.937 1.937 1.937 . 0 0 "[ ]" 1
983 1 2 LEU MD2 1 52 TRP HD1 4.000 . 5.300 3.378 3.378 3.378 . 0 0 "[ ]" 1
984 1 54 LEU HA 1 54 LEU MD2 2.500 . 3.800 2.435 2.435 2.435 . 0 0 "[ ]" 1
985 1 54 LEU HA 1 111 CYS HB2 3.000 . 3.300 3.313 3.313 3.313 0.013 1 0 "[ ]" 1
986 1 54 LEU HB2 1 54 LEU MD1 3.000 . 4.300 2.076 2.076 2.076 . 0 0 "[ ]" 1
987 1 54 LEU HB3 1 54 LEU MD1 3.000 . 4.300 2.580 2.580 2.580 . 0 0 "[ ]" 1
988 1 54 LEU MD1 1 60 LYS QB 3.000 . 5.300 1.657 1.657 1.657 0.143 1 0 "[ ]" 1
989 1 54 LEU MD1 1 63 ALA MB 3.000 . 5.300 3.485 3.485 3.485 . 0 0 "[ ]" 1
990 1 54 LEU HB3 1 54 LEU MD2 3.000 . 4.300 2.031 2.031 2.031 . 0 0 "[ ]" 1
991 1 54 LEU MD2 1 60 LYS QB 4.000 . 6.300 2.859 2.859 2.859 . 0 0 "[ ]" 1
992 1 54 LEU MD2 1 63 ALA MB 3.000 . 5.300 2.463 2.463 2.463 . 0 0 "[ ]" 1
993 1 54 LEU MD2 1 111 CYS HB2 4.000 . 5.300 3.901 3.901 3.901 . 0 0 "[ ]" 1
994 1 56 THR HA 1 56 THR HB 2.500 . 2.800 2.325 2.325 2.325 . 0 0 "[ ]" 1
995 1 56 THR HA 1 56 THR MG 2.500 . 3.800 2.574 2.574 2.574 . 0 0 "[ ]" 1
996 1 56 THR HB 1 57 GLN QB 4.000 . 5.300 4.392 4.392 4.392 . 0 0 "[ ]" 1
997 1 56 THR MG 1 112 SER HB2 4.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 1
998 1 57 GLN HA 1 60 LYS QB 4.000 . 5.300 4.003 4.003 4.003 . 0 0 "[ ]" 1
999 1 58 TYR HA 1 58 TYR HD1 3.000 . 3.300 2.894 2.894 2.894 . 0 0 "[ ]" 1
1000 1 58 TYR HD1 1 62 LEU QB 4.000 . 4.300 3.307 3.307 3.307 . 0 0 "[ ]" 1
1001 1 58 TYR HE2 1 62 LEU MD2 3.000 . 4.300 2.627 2.627 2.627 . 0 0 "[ ]" 1
1002 1 58 TYR HE1 1 62 LEU MD2 3.000 . 4.300 3.454 3.454 3.454 . 0 0 "[ ]" 1
1003 1 58 TYR HE1 1 62 LEU MD1 3.000 . 4.300 2.795 2.795 2.795 . 0 0 "[ ]" 1
1004 1 58 TYR HE2 1 76 PRO HA 4.000 . 4.300 3.590 3.590 3.590 . 0 0 "[ ]" 1
1005 1 59 SER HA 1 76 PRO QG 4.000 . 5.300 4.486 4.486 4.486 . 0 0 "[ ]" 1
1006 1 59 SER QB 1 76 PRO QG 4.000 . 6.300 4.621 4.621 4.621 . 0 0 "[ ]" 1
1007 1 59 SER QB 1 112 SER HA 4.000 . 5.300 4.636 4.636 4.636 . 0 0 "[ ]" 1
1008 1 54 LEU MD1 1 60 LYS HA 3.000 . 4.300 1.987 1.987 1.987 . 0 0 "[ ]" 1
1009 1 60 LYS HA 1 63 ALA MB 2.500 . 3.800 2.331 2.331 2.331 . 0 0 "[ ]" 1
1010 1 61 VAL HA 1 61 VAL MG2 3.000 . 4.300 2.259 2.259 2.259 . 0 0 "[ ]" 1
1011 1 61 VAL HA 1 61 VAL MG1 3.000 . 4.300 2.514 2.514 2.514 . 0 0 "[ ]" 1
1012 1 61 VAL HA 1 64 LEU MD1 4.000 . 5.300 2.940 2.940 2.940 . 0 0 "[ ]" 1
1013 1 58 TYR HA 1 61 VAL HB 3.000 . 3.300 2.420 2.420 2.420 . 0 0 "[ ]" 1
1014 1 58 TYR HA 1 61 VAL MG2 3.000 . 4.300 3.331 3.331 3.331 . 0 0 "[ ]" 1
1015 1 62 LEU HA 1 65 TYR HB2 3.000 . 3.300 2.336 2.336 2.336 . 0 0 "[ ]" 1
1016 1 62 LEU HA 1 65 TYR HD2 4.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1
1017 1 62 LEU HG 1 75 ALA HA 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 1
1018 1 62 LEU HA 1 62 LEU MD1 2.500 . 3.800 2.401 2.401 2.401 . 0 0 "[ ]" 1
1019 1 62 LEU MD1 1 65 TYR HD2 3.000 . 4.300 2.286 2.286 2.286 . 0 0 "[ ]" 1
1020 1 62 LEU MD1 1 65 TYR HE2 4.000 . 5.300 3.669 3.669 3.669 . 0 0 "[ ]" 1
1021 1 62 LEU QB 1 62 LEU MD2 3.000 . 4.300 2.017 2.017 2.017 . 0 0 "[ ]" 1
1022 1 62 LEU MD2 1 76 PRO HA 3.000 . 4.300 2.013 2.013 2.013 . 0 0 "[ ]" 1
1023 1 62 LEU MD2 1 76 PRO QG 4.000 . 6.300 3.162 3.162 3.162 . 0 0 "[ ]" 1
1024 1 63 ALA HA 1 66 ASN HB3 4.000 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 1
1025 1 50 TYR QB 1 63 ALA MB 4.000 . 6.300 3.132 3.132 3.132 . 0 0 "[ ]" 1
1026 1 63 ALA MB 1 76 PRO QG 3.000 . 5.300 2.955 2.955 2.955 . 0 0 "[ ]" 1
1027 1 64 LEU HA 1 64 LEU MD2 2.500 . 3.800 2.287 2.287 2.287 . 0 0 "[ ]" 1
1028 1 64 LEU HA 1 64 LEU HB3 2.500 . 2.800 2.515 2.515 2.515 . 0 0 "[ ]" 1
1029 1 64 LEU HA 1 67 GLN HB3 3.000 . 3.300 3.352 3.352 3.352 0.052 1 0 "[ ]" 1
1030 1 64 LEU HA 1 67 GLN HB2 3.000 . 3.300 2.027 2.027 2.027 . 0 0 "[ ]" 1
1031 1 64 LEU HA 1 68 HIS HE1 4.000 . 4.300 4.027 4.027 4.027 . 0 0 "[ ]" 1
1032 1 64 LEU HB3 1 64 LEU MD2 3.000 . 4.300 2.204 2.204 2.204 . 0 0 "[ ]" 1
1033 1 64 LEU HA 1 64 LEU MD1 4.000 . 5.300 3.833 3.833 3.833 . 0 0 "[ ]" 1
1034 1 64 LEU HB2 1 64 LEU MD1 2.500 . 3.800 2.032 2.032 2.032 . 0 0 "[ ]" 1
1035 1 64 LEU HB3 1 64 LEU MD1 2.500 . 3.800 2.698 2.698 2.698 . 0 0 "[ ]" 1
1036 1 65 TYR HA 1 68 HIS HB2 4.000 . 4.300 3.116 3.116 3.116 . 0 0 "[ ]" 1
1037 1 65 TYR HA 1 65 TYR HD1 4.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
1038 1 65 TYR HB3 1 65 TYR HD2 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1
1039 1 65 TYR HB2 1 65 TYR HD1 3.000 . 3.300 2.494 2.494 2.494 . 0 0 "[ ]" 1
1040 1 65 TYR HD2 1 66 ASN HA 4.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 1
1041 1 65 TYR HD2 1 72 ALA MB 4.000 . 5.300 3.859 3.859 3.859 . 0 0 "[ ]" 1
1042 1 65 TYR HD2 1 75 ALA HA 4.000 . 4.300 4.331 4.331 4.331 0.031 1 0 "[ ]" 1
1043 1 65 TYR HE2 1 72 ALA MB 2.500 . 3.800 3.115 3.115 3.115 . 0 0 "[ ]" 1
1044 1 65 TYR HE2 1 74 ALA MB 3.000 . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 1
1045 1 66 ASN HA 1 72 ALA MB 4.000 . 5.300 2.779 2.779 2.779 . 0 0 "[ ]" 1
1046 1 68 HIS HA 1 68 HIS HD2 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1
1047 1 68 HIS HB3 1 68 HIS HD2 2.500 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
1048 1 68 HIS HB2 1 68 HIS HD2 4.000 . 4.300 3.916 3.916 3.916 . 0 0 "[ ]" 1
1049 1 64 LEU MD2 1 68 HIS HE1 2.500 . 3.800 1.811 1.811 1.811 . 0 0 "[ ]" 1
1050 1 64 LEU MD1 1 68 HIS HE1 3.000 . 4.300 3.354 3.354 3.354 . 0 0 "[ ]" 1
1051 1 69 ASN HA 1 69 ASN HB3 3.000 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 1
1052 1 69 ASN HA 1 70 PRO HD3 2.500 . 2.800 2.111 2.111 2.111 . 0 0 "[ ]" 1
1053 1 69 ASN HA 1 70 PRO HD2 2.500 . 2.800 2.096 2.096 2.096 . 0 0 "[ ]" 1
1054 1 66 ASN HB2 1 72 ALA MB 4.000 . 5.300 4.193 4.193 4.193 . 0 0 "[ ]" 1
1055 1 69 ASN HB3 1 72 ALA MB 3.000 . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
1056 1 69 ASN HB2 1 72 ALA MB 3.000 . 4.300 2.335 2.335 2.335 . 0 0 "[ ]" 1
1057 1 62 LEU MD2 1 75 ALA HA 3.000 . 4.300 2.830 2.830 2.830 . 0 0 "[ ]" 1
1058 1 62 LEU MD1 1 76 PRO HA 4.000 . 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1
1059 1 76 PRO QB 1 111 CYS QB 4.000 . 6.300 2.940 2.940 2.940 . 0 0 "[ ]" 1
1060 1 75 ALA HA 1 76 PRO QD 2.500 . 3.800 2.301 2.301 2.301 . 0 0 "[ ]" 1
1061 1 78 CYS HA 1 111 CYS HA 2.500 . 2.800 2.109 2.109 2.109 . 0 0 "[ ]" 1
1062 1 79 VAL HA 1 79 VAL MG1 3.000 . 4.300 2.495 2.495 2.495 . 0 0 "[ ]" 1
1063 1 79 VAL MG1 1 112 SER HB3 3.000 . 4.300 2.680 2.680 2.680 . 0 0 "[ ]" 1
1064 1 79 VAL MG1 1 112 SER HB2 3.000 . 4.300 3.203 3.203 3.203 . 0 0 "[ ]" 1
1065 1 79 VAL MG2 1 112 SER HB3 3.000 . 4.300 3.140 3.140 3.140 . 0 0 "[ ]" 1
1066 1 79 VAL MG2 1 112 SER HB2 3.000 . 4.300 2.624 2.624 2.624 . 0 0 "[ ]" 1
1067 1 80 PRO HA 1 83 LEU MD2 4.000 . 5.300 4.300 4.300 4.300 . 0 0 "[ ]" 1
1068 1 80 PRO HA 1 106 VAL MG1 3.000 . 4.300 2.858 2.858 2.858 . 0 0 "[ ]" 1
1069 1 80 PRO HA 1 106 VAL MG2 3.000 . 4.300 3.438 3.438 3.438 . 0 0 "[ ]" 1
1070 1 80 PRO HA 1 109 CYS HB3 4.000 . 4.300 3.920 3.920 3.920 . 0 0 "[ ]" 1
1071 1 80 PRO HA 1 109 CYS HA 2.500 . 2.800 2.080 2.080 2.080 . 0 0 "[ ]" 1
1072 1 79 VAL HA 1 80 PRO QD 2.500 . 3.800 2.038 2.038 2.038 . 0 0 "[ ]" 1
1073 1 83 LEU HA 1 83 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 1
1074 1 83 LEU HA 1 83 LEU HB3 2.500 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1
1075 1 83 LEU HA 1 83 LEU MD2 3.000 . 4.300 2.374 2.374 2.374 . 0 0 "[ ]" 1
1076 1 83 LEU HA 1 83 LEU MD1 4.000 . 5.300 3.825 3.825 3.825 . 0 0 "[ ]" 1
1077 1 83 LEU HA 1 106 VAL HA 2.500 . 2.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
1078 1 80 PRO HB3 1 83 LEU MD2 2.500 . 3.800 3.077 3.077 3.077 . 0 0 "[ ]" 1
1079 1 80 PRO HB2 1 83 LEU MD2 2.500 . 3.800 2.117 2.117 2.117 . 0 0 "[ ]" 1
1080 1 80 PRO QG 1 83 LEU MD2 3.000 . 5.300 2.760 2.760 2.760 . 0 0 "[ ]" 1
1081 1 83 LEU HB3 1 83 LEU MD2 3.000 . 4.300 2.066 2.066 2.066 . 0 0 "[ ]" 1
1082 1 83 LEU MD2 1 106 VAL HA 2.500 . 3.800 1.898 1.898 1.898 . 0 0 "[ ]" 1
1083 1 83 LEU MD2 1 106 VAL MG1 4.000 . 6.300 3.296 3.296 3.296 . 0 0 "[ ]" 1
1084 1 83 LEU MD2 1 106 VAL MG2 2.500 . 4.800 1.850 1.850 1.850 . 0 0 "[ ]" 1
1085 1 83 LEU HB3 1 83 LEU MD1 3.000 . 4.300 2.616 2.616 2.616 . 0 0 "[ ]" 1
1086 1 83 LEU HB2 1 83 LEU MD1 3.000 . 4.300 2.080 2.080 2.080 . 0 0 "[ ]" 1
1087 1 83 LEU MD1 1 103 ASN HB3 2.500 . 3.800 1.835 1.835 1.835 . 0 0 "[ ]" 1
1088 1 83 LEU MD1 1 103 ASN HB2 3.000 . 4.300 3.316 3.316 3.316 . 0 0 "[ ]" 1
1089 1 85 PRO HA 1 102 SER HA 3.000 . 3.300 2.225 2.225 2.225 . 0 0 "[ ]" 1
1090 1 85 PRO QB 1 102 SER QB 4.000 . 6.300 4.182 4.182 4.182 . 0 0 "[ ]" 1
1091 1 85 PRO QG 1 102 SER HA 4.000 . 5.300 4.447 4.447 4.447 . 0 0 "[ ]" 1
1092 1 84 GLU HA 1 85 PRO QD 2.500 . 3.800 1.956 1.956 1.956 . 0 0 "[ ]" 1
1093 1 86 LEU HA 1 86 LEU MD1 2.500 . 3.800 2.629 2.629 2.629 . 0 0 "[ ]" 1
1094 1 86 LEU HA 1 105 ILE MD 4.000 . 5.300 2.686 2.686 2.686 . 0 0 "[ ]" 1
1095 1 86 LEU MD1 1 105 ILE MD 3.000 . 5.300 3.106 3.106 3.106 . 0 0 "[ ]" 1
1096 1 33 ILE MD 1 86 LEU MD1 4.000 . 6.300 4.321 4.321 4.321 . 0 0 "[ ]" 1
1097 1 86 LEU MD1 1 101 LEU MD1 4.000 . 6.300 3.917 3.917 3.917 . 0 0 "[ ]" 1
1098 1 86 LEU MD1 1 104 MET ME 4.000 . 6.300 3.205 3.205 3.205 . 0 0 "[ ]" 1
1099 1 24 PHE HE1 1 86 LEU MD2 4.000 . 5.300 3.102 3.102 3.102 . 0 0 "[ ]" 1
1100 1 36 PRO QG 1 86 LEU MD2 4.500 . 6.800 4.553 4.553 4.553 . 0 0 "[ ]" 1
1101 1 86 LEU MD2 1 88 ILE MG 2.500 . 4.800 1.722 1.722 1.722 0.078 1 0 "[ ]" 1
1102 1 86 LEU MD2 1 101 LEU MD1 2.500 . 4.800 1.713 1.713 1.713 0.087 1 0 "[ ]" 1
1103 1 86 LEU MD2 1 104 MET ME 2.500 . 4.800 1.865 1.865 1.865 . 0 0 "[ ]" 1
1104 1 87 PRO HA 1 100 GLN HA 2.500 . 2.800 2.183 2.183 2.183 . 0 0 "[ ]" 1
1105 1 87 PRO HA 1 98 VAL QG 4.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
1106 1 87 PRO HA 1 100 GLN QG 3.000 . 4.300 2.417 2.417 2.417 . 0 0 "[ ]" 1
1107 1 86 LEU HA 1 87 PRO QD 2.500 . 3.800 1.876 1.876 1.876 . 0 0 "[ ]" 1
1108 1 33 ILE MG 1 88 ILE HA 4.000 . 5.300 4.121 4.121 4.121 . 0 0 "[ ]" 1
1109 1 36 PRO QD 1 88 ILE HA 2.500 . 3.800 1.838 1.838 1.838 . 0 0 "[ ]" 1
1110 1 88 ILE HA 1 88 ILE HB 3.000 . 3.300 2.368 2.368 2.368 . 0 0 "[ ]" 1
1111 1 88 ILE HA 1 88 ILE MG 3.000 . 4.300 2.546 2.546 2.546 . 0 0 "[ ]" 1
1112 1 88 ILE HA 1 88 ILE MD 4.000 . 5.300 4.125 4.125 4.125 . 0 0 "[ ]" 1
1113 1 33 ILE MG 1 88 ILE HB 3.000 . 4.300 2.472 2.472 2.472 . 0 0 "[ ]" 1
1114 1 88 ILE HB 1 88 ILE MD 3.000 . 4.300 2.389 2.389 2.389 . 0 0 "[ ]" 1
1115 1 88 ILE MD 1 88 ILE MG 3.000 . 5.300 1.822 1.822 1.822 . 0 0 "[ ]" 1
1116 1 88 ILE MG 1 101 LEU MD1 2.500 . 4.800 2.470 2.470 2.470 . 0 0 "[ ]" 1
1117 1 88 ILE MG 1 101 LEU MD2 3.000 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 1
1118 1 32 TRP HH2 1 88 ILE MD 2.500 . 3.800 2.551 2.551 2.551 . 0 0 "[ ]" 1
1119 1 33 ILE HA 1 88 ILE MD 4.000 . 5.300 3.802 3.802 3.802 . 0 0 "[ ]" 1
1120 1 33 ILE HB 1 88 ILE MD 4.000 . 5.300 4.205 4.205 4.205 . 0 0 "[ ]" 1
1121 1 33 ILE HG13 1 88 ILE MD 3.000 . 4.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
1122 1 33 ILE HG12 1 88 ILE MD 2.500 . 3.800 1.820 1.820 1.820 . 0 0 "[ ]" 1
1123 1 33 ILE MG 1 88 ILE MD 2.500 . 4.800 2.853 2.853 2.853 . 0 0 "[ ]" 1
1124 1 88 ILE MD 1 90 TYR HB3 4.000 . 5.300 3.514 3.514 3.514 . 0 0 "[ ]" 1
1125 1 88 ILE MD 1 90 TYR HD1 2.500 . 3.800 1.902 1.902 1.902 . 0 0 "[ ]" 1
1126 1 88 ILE MD 1 90 TYR HE1 3.000 . 4.300 2.149 2.149 2.149 . 0 0 "[ ]" 1
1127 1 88 ILE MD 1 101 LEU HG 3.000 . 4.300 2.055 2.055 2.055 . 0 0 "[ ]" 1
1128 1 88 ILE MD 1 101 LEU MD2 2.500 . 4.800 1.832 1.832 1.832 . 0 0 "[ ]" 1
1129 1 88 ILE MD 1 101 LEU MD1 2.500 . 4.800 2.450 2.450 2.450 . 0 0 "[ ]" 1
1130 1 89 VAL HA 1 98 VAL HA 2.500 . 2.800 1.897 1.897 1.897 . 0 0 "[ ]" 1
1131 1 88 ILE MD 1 89 VAL HA 4.000 . 5.300 4.509 4.509 4.509 . 0 0 "[ ]" 1
1132 1 89 VAL HA 1 89 VAL MG1 2.500 . 3.800 2.137 2.137 2.137 . 0 0 "[ ]" 1
1133 1 89 VAL HA 1 89 VAL MG2 2.500 . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 1
1134 1 89 VAL HA 1 90 TYR HD1 4.000 . 4.300 3.581 3.581 3.581 . 0 0 "[ ]" 1
1135 1 89 VAL HA 1 98 VAL QG 3.000 . 5.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
1136 1 34 HIS HD2 1 89 VAL MG1 3.000 . 4.300 3.275 3.275 3.275 . 0 0 "[ ]" 1
1137 1 89 VAL MG1 1 96 PRO QB 4.000 . 6.300 3.199 3.199 3.199 . 0 0 "[ ]" 1
1138 1 34 HIS HD2 1 89 VAL MG2 4.000 . 5.300 4.350 4.350 4.350 . 0 0 "[ ]" 1
1139 1 33 ILE MG 1 90 TYR HA 4.000 . 5.300 4.246 4.246 4.246 . 0 0 "[ ]" 1
1140 1 89 VAL MG1 1 90 TYR HA 4.000 . 5.300 4.046 4.046 4.046 . 0 0 "[ ]" 1
1141 1 90 TYR HA 1 90 TYR HB3 3.000 . 3.300 2.323 2.323 2.323 . 0 0 "[ ]" 1
1142 1 90 TYR HA 1 91 TYR HD1 4.000 . 4.300 3.442 3.442 3.442 . 0 0 "[ ]" 1
1143 1 33 ILE MG 1 90 TYR HD1 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 1
1144 1 33 ILE QG 1 90 TYR HD1 3.000 . 4.300 2.712 2.712 2.712 . 0 0 "[ ]" 1
1145 1 88 ILE HG13 1 90 TYR HD1 3.000 . 3.300 1.816 1.816 1.816 . 0 0 "[ ]" 1
1146 1 88 ILE HG12 1 90 TYR HD1 4.000 . 4.300 3.182 3.182 3.182 . 0 0 "[ ]" 1
1147 1 90 TYR HB3 1 90 TYR HD1 3.000 . 3.300 2.486 2.486 2.486 . 0 0 "[ ]" 1
1148 1 90 TYR HD1 1 99 GLU HB2 4.000 . 4.300 4.243 4.243 4.243 . 0 0 "[ ]" 1
1149 1 90 TYR HB2 1 90 TYR HD2 3.000 . 3.300 2.406 2.406 2.406 . 0 0 "[ ]" 1
1150 1 90 TYR HD2 1 92 VAL MG2 3.000 . 4.300 2.483 2.483 2.483 . 0 0 "[ ]" 1
1151 1 90 TYR HD2 1 97 LYS QB 4.000 . 5.300 3.815 3.815 3.815 . 0 0 "[ ]" 1
1152 1 90 TYR HD2 1 97 LYS QG 4.000 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1
1153 1 32 TRP HZ3 1 90 TYR HE2 4.000 . 4.300 4.363 4.363 4.363 0.063 1 0 "[ ]" 1
1154 1 90 TYR HE2 1 92 VAL MG2 2.500 . 3.800 2.806 2.806 2.806 . 0 0 "[ ]" 1
1155 1 90 TYR HE2 1 97 LYS HB3 4.000 . 4.300 4.313 4.313 4.313 0.013 1 0 "[ ]" 1
1156 1 90 TYR HE2 1 97 LYS HB2 4.000 . 4.300 3.044 3.044 3.044 . 0 0 "[ ]" 1
1157 1 90 TYR HE2 1 97 LYS QG 4.000 . 5.300 4.120 4.120 4.120 . 0 0 "[ ]" 1
1158 1 90 TYR HE2 1 97 LYS QD 4.000 . 5.300 4.354 4.354 4.354 . 0 0 "[ ]" 1
1159 1 32 TRP HZ3 1 90 TYR HE1 4.000 . 4.300 3.530 3.530 3.530 . 0 0 "[ ]" 1
1160 1 88 ILE HG13 1 90 TYR HE1 3.000 . 3.300 2.694 2.694 2.694 . 0 0 "[ ]" 1
1161 1 90 TYR HE1 1 99 GLU HB2 2.500 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 1
1162 1 90 TYR HE1 1 99 GLU HB3 2.500 . 2.800 2.821 2.821 2.821 0.021 1 0 "[ ]" 1
1163 1 90 TYR HE1 1 99 GLU QG 3.000 . 4.300 3.756 3.756 3.756 . 0 0 "[ ]" 1
1164 1 91 TYR HA 1 91 TYR HB3 2.500 . 2.800 2.688 2.688 2.688 . 0 0 "[ ]" 1
1165 1 91 TYR HA 1 91 TYR HD2 4.000 . 4.300 3.056 3.056 3.056 . 0 0 "[ ]" 1
1166 1 91 TYR HA 1 91 TYR HD1 4.000 . 4.300 3.599 3.599 3.599 . 0 0 "[ ]" 1
1167 1 91 TYR HA 1 96 PRO HA 2.500 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1
1168 1 34 HIS QB 1 91 TYR HD1 3.000 . 4.300 2.951 2.951 2.951 . 0 0 "[ ]" 1
1169 1 91 TYR HB2 1 91 TYR HD1 3.000 . 3.300 2.436 2.436 2.436 . 0 0 "[ ]" 1
1170 1 91 TYR HB3 1 91 TYR HD2 3.000 . 3.300 2.430 2.430 2.430 . 0 0 "[ ]" 1
1171 1 91 TYR HD2 1 94 ARG HA 3.000 . 3.300 3.235 3.235 3.235 . 0 0 "[ ]" 1
1172 1 91 TYR HD2 1 95 LYS HA 4.000 . 4.300 4.238 4.238 4.238 . 0 0 "[ ]" 1
1173 1 91 TYR HD2 1 96 PRO HA 3.000 . 3.300 3.374 3.374 3.374 0.074 1 0 "[ ]" 1
1174 1 34 HIS HB3 1 91 TYR HE1 4.000 . 4.300 3.973 3.973 3.973 . 0 0 "[ ]" 1
1175 1 34 HIS HB2 1 91 TYR HE1 4.000 . 4.300 3.878 3.878 3.878 . 0 0 "[ ]" 1
1176 1 89 VAL MG1 1 91 TYR HE1 4.000 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1
1177 1 91 TYR HE1 1 96 PRO QB 3.000 . 4.300 3.409 3.409 3.409 . 0 0 "[ ]" 1
1178 1 91 TYR HE2 1 94 ARG HA 4.000 . 4.300 4.368 4.368 4.368 0.068 1 0 "[ ]" 1
1179 1 91 TYR HE2 1 95 LYS HA 4.000 . 4.300 4.201 4.201 4.201 . 0 0 "[ ]" 1
1180 1 91 TYR HE2 1 96 PRO HA 4.000 . 4.300 3.881 3.881 3.881 . 0 0 "[ ]" 1
1181 1 91 TYR HE2 1 96 PRO QB 3.000 . 4.300 2.788 2.788 2.788 . 0 0 "[ ]" 1
1182 1 91 TYR HE2 1 96 PRO QG 4.000 . 5.300 2.857 2.857 2.857 . 0 0 "[ ]" 1
1183 1 91 TYR HE2 1 96 PRO QD 3.000 . 4.300 2.549 2.549 2.549 . 0 0 "[ ]" 1
1184 1 91 TYR QB 1 92 VAL HA 4.000 . 5.300 4.135 4.135 4.135 . 0 0 "[ ]" 1
1185 1 92 VAL HA 1 92 VAL MG1 2.500 . 3.800 2.186 2.186 2.186 . 0 0 "[ ]" 1
1186 1 92 VAL HA 1 92 VAL MG2 2.500 . 3.800 2.655 2.655 2.655 . 0 0 "[ ]" 1
1187 1 92 VAL HB 1 95 LYS QB 4.000 . 5.300 3.478 3.478 3.478 . 0 0 "[ ]" 1
1188 1 94 ARG HA 1 94 ARG HB2 3.000 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
1189 1 94 ARG HA 1 94 ARG HB3 2.500 . 2.800 2.435 2.435 2.435 . 0 0 "[ ]" 1
1190 1 89 VAL MG1 1 96 PRO HA 4.000 . 5.300 4.242 4.242 4.242 . 0 0 "[ ]" 1
1191 1 91 TYR QB 1 96 PRO HA 4.000 . 5.300 4.068 4.068 4.068 . 0 0 "[ ]" 1
1192 1 95 LYS HA 1 96 PRO QD 2.500 . 3.800 1.870 1.870 1.870 . 0 0 "[ ]" 1
1193 1 89 VAL MG1 1 98 VAL HA 4.000 . 5.300 2.907 2.907 2.907 . 0 0 "[ ]" 1
1194 1 89 VAL MG2 1 98 VAL HA 3.000 . 4.300 2.705 2.705 2.705 . 0 0 "[ ]" 1
1195 1 98 VAL HA 1 98 VAL HB 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
1196 1 98 VAL HA 1 98 VAL QG 2.500 . 4.500 2.063 2.063 2.063 . 0 0 "[ ]" 1
1197 1 99 GLU HA 1 99 GLU HB2 3.000 . 3.300 2.833 2.833 2.833 . 0 0 "[ ]" 1
1198 1 99 GLU HA 1 99 GLU HB3 2.500 . 2.800 2.861 2.861 2.861 0.061 1 0 "[ ]" 1
1199 1 101 LEU HA 1 101 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 1
1200 1 101 LEU HA 1 101 LEU HB3 2.500 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
1201 1 101 LEU HA 1 101 LEU MD1 4.000 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 1
1202 1 101 LEU HA 1 101 LEU MD2 2.500 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 1
1203 1 101 LEU HB2 1 101 LEU MD1 3.000 . 4.300 2.596 2.596 2.596 . 0 0 "[ ]" 1
1204 1 101 LEU HB3 1 101 LEU MD1 3.000 . 4.300 2.065 2.065 2.065 . 0 0 "[ ]" 1
1205 1 88 ILE MG 1 101 LEU HB2 3.000 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 1
1206 1 88 ILE MD 1 101 LEU HB2 4.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1
1207 1 88 ILE MG 1 101 LEU HG 2.500 . 3.800 2.119 2.119 2.119 . 0 0 "[ ]" 1
1208 1 24 PHE HE1 1 101 LEU MD1 4.000 . 5.300 3.181 3.181 3.181 . 0 0 "[ ]" 1
1209 1 32 TRP HH2 1 101 LEU MD1 3.000 . 4.300 1.961 1.961 1.961 . 0 0 "[ ]" 1
1210 1 32 TRP HZ2 1 101 LEU MD1 2.500 . 3.800 2.078 2.078 2.078 . 0 0 "[ ]" 1
1211 1 101 LEU MD1 1 104 MET ME 2.500 . 4.800 1.890 1.890 1.890 . 0 0 "[ ]" 1
1212 1 32 TRP HH2 1 101 LEU MD2 2.500 . 3.800 1.819 1.819 1.819 . 0 0 "[ ]" 1
1213 1 32 TRP HZ2 1 101 LEU MD2 4.000 . 5.300 3.556 3.556 3.556 . 0 0 "[ ]" 1
1214 1 88 ILE HG13 1 101 LEU MD2 4.000 . 5.300 4.279 4.279 4.279 . 0 0 "[ ]" 1
1215 1 101 LEU HB3 1 101 LEU MD2 3.000 . 4.300 2.569 2.569 2.569 . 0 0 "[ ]" 1
1216 1 101 LEU MD2 1 104 MET ME 4.000 . 6.300 4.197 4.197 4.197 . 0 0 "[ ]" 1
1217 1 85 PRO QB 1 102 SER HA 3.000 . 4.300 2.573 2.573 2.573 . 0 0 "[ ]" 1
1218 1 83 LEU HA 1 103 ASN HA 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 1
1219 1 83 LEU HB3 1 103 ASN HA 2.500 . 2.800 1.992 1.992 1.992 . 0 0 "[ ]" 1
1220 1 83 LEU HB2 1 103 ASN HA 2.500 . 2.800 2.279 2.279 2.279 . 0 0 "[ ]" 1
1221 1 83 LEU MD2 1 103 ASN HA 3.000 . 4.300 3.458 3.458 3.458 . 0 0 "[ ]" 1
1222 1 83 LEU MD1 1 103 ASN HA 3.000 . 4.300 2.872 2.872 2.872 . 0 0 "[ ]" 1
1223 1 30 TRP HZ3 1 104 MET ME 4.000 . 5.300 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
1224 1 41 ALA MB 1 105 ILE HA 4.000 . 5.300 3.659 3.659 3.659 . 0 0 "[ ]" 1
1225 1 105 ILE HA 1 105 ILE MG 3.000 . 4.300 2.349 2.349 2.349 . 0 0 "[ ]" 1
1226 1 105 ILE HA 1 105 ILE MD 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1
1227 1 84 GLU HB2 1 105 ILE HB 2.500 . 2.800 1.871 1.871 1.871 . 0 0 "[ ]" 1
1228 1 84 GLU HB3 1 105 ILE HB 3.000 . 3.300 2.416 2.416 2.416 . 0 0 "[ ]" 1
1229 1 39 TYR QB 1 105 ILE MD 4.000 . 6.300 3.144 3.144 3.144 . 0 0 "[ ]" 1
1230 1 84 GLU HB3 1 105 ILE MD 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
1231 1 84 GLU HB2 1 105 ILE MD 3.000 . 4.300 3.024 3.024 3.024 . 0 0 "[ ]" 1
1232 1 105 ILE HB 1 105 ILE MD 3.000 . 4.300 2.309 2.309 2.309 . 0 0 "[ ]" 1
1233 1 105 ILE MD 1 105 ILE MG 2.500 . 4.800 1.865 1.865 1.865 . 0 0 "[ ]" 1
1234 1 41 ALA HA 1 105 ILE MG 3.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
1235 1 84 GLU HB3 1 105 ILE MG 4.000 . 5.300 3.237 3.237 3.237 . 0 0 "[ ]" 1
1236 1 84 GLU HB2 1 105 ILE MG 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 1
1237 1 105 ILE MG 1 106 VAL MG1 4.000 . 6.300 4.229 4.229 4.229 . 0 0 "[ ]" 1
1238 1 106 VAL HA 1 106 VAL HB 3.000 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 1
1239 1 80 PRO QB 1 106 VAL HB 4.000 . 5.300 3.965 3.965 3.965 . 0 0 "[ ]" 1
1240 1 42 ASN QB 1 106 VAL MG1 2.500 . 4.800 2.566 2.566 2.566 . 0 0 "[ ]" 1
1241 1 80 PRO QB 1 106 VAL MG1 3.000 . 5.300 2.448 2.448 2.448 . 0 0 "[ ]" 1
1242 1 106 VAL HA 1 106 VAL MG1 3.000 . 4.300 2.529 2.529 2.529 . 0 0 "[ ]" 1
1243 1 42 ASN HB3 1 106 VAL MG2 3.000 . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 1
1244 1 42 ASN HB2 1 106 VAL MG2 3.000 . 4.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
1245 1 80 PRO QB 1 106 VAL MG2 2.500 . 4.800 1.669 1.669 1.669 0.131 1 0 "[ ]" 1
1246 1 80 PRO QG 1 106 VAL MG2 3.000 . 5.300 2.726 2.726 2.726 . 0 0 "[ ]" 1
1247 1 106 VAL HA 1 106 VAL MG2 2.500 . 3.800 2.175 2.175 2.175 . 0 0 "[ ]" 1
1248 1 4 THR MG 1 107 ARG HA 3.000 . 4.300 2.460 2.460 2.460 . 0 0 "[ ]" 1
1249 1 80 PRO QB 1 109 CYS HA 4.000 . 5.300 3.999 3.999 3.999 . 0 0 "[ ]" 1
1250 1 106 VAL MG1 1 109 CYS HA 4.000 . 5.300 3.837 3.837 3.837 . 0 0 "[ ]" 1
1251 1 109 CYS HA 1 109 CYS HB3 2.500 . 2.800 2.508 2.508 2.508 . 0 0 "[ ]" 1
1252 1 53 SER QB 1 110 LYS HA 4.000 . 5.300 4.121 4.121 4.121 . 0 0 "[ ]" 1
1253 1 2 LEU MD1 1 110 LYS HA 3.000 . 4.300 2.848 2.848 2.848 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1253
_Distance_constraint_stats_list.Viol_count 123
_Distance_constraint_stats_list.Viol_total 5.456
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0444
_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
2 1 ALA 0.000 0.000 . 0 "[ ]"
2 2 LEU 0.109 0.070 1 0 "[ ]"
2 3 ASP 0.159 0.070 1 0 "[ ]"
2 4 THR 0.024 0.024 1 0 "[ ]"
2 5 ASN 0.005 0.005 1 0 "[ ]"
2 6 TYR 0.152 0.066 1 0 "[ ]"
2 7 CYS 0.043 0.038 1 0 "[ ]"
2 8 PHE 0.010 0.010 1 0 "[ ]"
2 9 SER 0.000 0.000 . 0 "[ ]"
2 10 SER 0.000 0.000 . 0 "[ ]"
2 11 THR 0.002 0.002 1 0 "[ ]"
2 12 GLU 0.002 0.002 1 0 "[ ]"
2 13 LYS 0.000 0.000 . 0 "[ ]"
2 14 ASN 0.000 0.000 . 0 "[ ]"
2 15 CYS 0.029 0.029 1 0 "[ ]"
2 16 CYS 0.000 0.000 . 0 "[ ]"
2 17 VAL 0.038 0.038 1 0 "[ ]"
2 18 ARG 0.000 0.000 . 0 "[ ]"
2 19 GLN 0.024 0.013 1 0 "[ ]"
2 20 LEU 0.023 0.023 1 0 "[ ]"
2 21 TYR 0.159 0.048 1 0 "[ ]"
2 22 ILE 0.029 0.014 1 0 "[ ]"
2 23 ASP 0.121 0.073 1 0 "[ ]"
2 24 PHE 0.163 0.085 1 0 "[ ]"
2 25 ARG 0.056 0.056 1 0 "[ ]"
2 26 LYS 0.175 0.082 1 0 "[ ]"
2 27 ASP 0.325 0.167 1 0 "[ ]"
2 28 LEU 0.031 0.031 1 0 "[ ]"
2 29 GLY 0.031 0.031 1 0 "[ ]"
2 30 TRP 0.182 0.057 1 0 "[ ]"
2 31 LYS 0.246 0.186 1 0 "[ ]"
2 32 TRP 0.335 0.062 1 0 "[ ]"
2 33 ILE 0.245 0.057 1 0 "[ ]"
2 34 HIS 0.015 0.015 1 0 "[ ]"
2 35 GLU 0.004 0.004 1 0 "[ ]"
2 36 PRO 0.042 0.042 1 0 "[ ]"
2 37 LYS 0.249 0.172 1 0 "[ ]"
2 38 GLY 0.147 0.045 1 0 "[ ]"
2 39 TYR 0.048 0.020 1 0 "[ ]"
2 40 HIS 0.030 0.030 1 0 "[ ]"
2 41 ALA 0.025 0.014 1 0 "[ ]"
2 42 ASN 0.000 0.000 . 0 "[ ]"
2 43 PHE 0.083 0.059 1 0 "[ ]"
2 44 CYS 0.000 0.000 . 0 "[ ]"
2 45 LEU 0.068 0.059 1 0 "[ ]"
2 46 GLY 0.008 0.008 1 0 "[ ]"
2 47 PRO 0.024 0.024 1 0 "[ ]"
2 48 CYS 0.024 0.024 1 0 "[ ]"
2 49 PRO 0.000 0.000 . 0 "[ ]"
2 50 TYR 0.000 0.000 . 0 "[ ]"
2 51 ILE 0.067 0.053 1 0 "[ ]"
2 52 TRP 0.137 0.053 1 0 "[ ]"
2 53 SER 0.000 0.000 . 0 "[ ]"
2 54 LEU 0.160 0.143 1 0 "[ ]"
2 55 ASP 0.001 0.001 1 0 "[ ]"
2 56 THR 0.006 0.006 1 0 "[ ]"
2 57 GLN 0.000 0.000 . 0 "[ ]"
2 58 TYR 0.006 0.006 1 0 "[ ]"
2 59 SER 0.004 0.004 1 0 "[ ]"
2 60 LYS 0.143 0.143 1 0 "[ ]"
2 61 VAL 0.000 0.000 . 0 "[ ]"
2 62 LEU 0.004 0.004 1 0 "[ ]"
2 63 ALA 0.041 0.026 1 0 "[ ]"
2 64 LEU 0.137 0.071 1 0 "[ ]"
2 65 TYR 0.117 0.071 1 0 "[ ]"
2 66 ASN 0.220 0.119 1 0 "[ ]"
2 67 GLN 0.242 0.088 1 0 "[ ]"
2 68 HIS 0.277 0.119 1 0 "[ ]"
2 69 ASN 0.017 0.012 1 0 "[ ]"
2 70 PRO 0.000 0.000 . 0 "[ ]"
2 71 GLY 0.000 0.000 . 0 "[ ]"
2 72 ALA 0.076 0.070 1 0 "[ ]"
2 73 SER 0.070 0.070 1 0 "[ ]"
2 74 ALA 0.000 0.000 . 0 "[ ]"
2 75 ALA 0.033 0.033 1 0 "[ ]"
2 76 PRO 0.016 0.016 1 0 "[ ]"
2 77 CYS 0.016 0.016 1 0 "[ ]"
2 78 CYS 0.000 0.000 . 0 "[ ]"
2 79 VAL 0.164 0.156 1 0 "[ ]"
2 80 PRO 0.130 0.130 1 0 "[ ]"
2 81 GLN 0.000 0.000 . 0 "[ ]"
2 82 ALA 0.025 0.025 1 0 "[ ]"
2 83 LEU 0.210 0.094 1 0 "[ ]"
2 84 GLU 0.137 0.094 1 0 "[ ]"
2 85 PRO 0.010 0.010 1 0 "[ ]"
2 86 LEU 0.363 0.087 1 0 "[ ]"
2 87 PRO 0.000 0.000 . 0 "[ ]"
2 88 ILE 0.217 0.115 1 0 "[ ]"
2 89 VAL 0.115 0.115 1 0 "[ ]"
2 90 TYR 0.218 0.062 1 0 "[ ]"
2 91 TYR 0.376 0.102 1 0 "[ ]"
2 92 VAL 0.116 0.092 1 0 "[ ]"
2 93 GLY 0.000 0.000 . 0 "[ ]"
2 94 ARG 0.256 0.120 1 0 "[ ]"
2 95 LYS 0.206 0.120 1 0 "[ ]"
2 96 PRO 0.073 0.073 1 0 "[ ]"
2 97 LYS 0.028 0.016 1 0 "[ ]"
2 98 VAL 0.000 0.000 . 0 "[ ]"
2 99 GLU 0.226 0.110 1 0 "[ ]"
2 100 GLN 0.314 0.110 1 0 "[ ]"
2 101 LEU 0.292 0.103 1 0 "[ ]"
2 102 SER 0.078 0.078 1 0 "[ ]"
2 103 ASN 0.093 0.074 1 0 "[ ]"
2 104 MET 0.136 0.074 1 0 "[ ]"
2 105 ILE 0.174 0.102 1 0 "[ ]"
2 106 VAL 0.149 0.130 1 0 "[ ]"
2 107 ARG 0.025 0.025 1 0 "[ ]"
2 108 SER 0.000 0.000 . 0 "[ ]"
2 109 CYS 0.000 0.000 . 0 "[ ]"
2 110 LYS 0.000 0.000 . 0 "[ ]"
2 111 CYS 0.025 0.016 1 0 "[ ]"
2 112 SER 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 ALA HA 2 2 LEU H 2.500 . 2.800 2.227 2.227 2.227 . 0 0 "[ ]" 2
2 2 1 ALA MB 2 2 LEU H 3.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 2
3 2 2 LEU H 2 2 LEU HB2 3.000 . 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 2
4 2 2 LEU H 2 2 LEU HB3 4.000 . 4.300 3.717 3.717 3.717 . 0 0 "[ ]" 2
5 2 2 LEU H 2 2 LEU HG 3.000 . 3.300 2.340 2.340 2.340 . 0 0 "[ ]" 2
6 2 2 LEU HA 2 3 ASP H 2.500 . 2.800 2.510 2.510 2.510 . 0 0 "[ ]" 2
7 2 2 LEU HB2 2 3 ASP H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 2
8 2 2 LEU HB3 2 3 ASP H 4.000 . 4.300 4.339 4.339 4.339 0.039 1 0 "[ ]" 2
9 2 2 LEU MD2 2 3 ASP H 4.000 . 5.300 3.910 3.910 3.910 . 0 0 "[ ]" 2
10 2 3 ASP H 2 3 ASP HB3 3.000 . 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 2
11 2 3 ASP H 2 6 TYR H 4.000 . 4.300 3.224 3.224 3.224 . 0 0 "[ ]" 2
12 2 3 ASP H 2 6 TYR HB3 3.000 . 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 2
13 2 3 ASP H 2 6 TYR HD2 4.000 . 4.300 3.967 3.967 3.967 . 0 0 "[ ]" 2
14 2 3 ASP H 2 7 CYS H 4.000 . 4.300 3.930 3.930 3.930 . 0 0 "[ ]" 2
15 2 3 ASP HA 2 4 THR H 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 2
16 2 3 ASP HB2 2 4 THR H 2.500 . 2.800 1.874 1.874 1.874 . 0 0 "[ ]" 2
17 2 3 ASP HB3 2 4 THR H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2
18 2 4 THR H 2 4 THR MG 2.500 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 2
19 2 4 THR H 2 17 VAL MG1 4.000 . 5.300 2.836 2.836 2.836 . 0 0 "[ ]" 2
20 2 4 THR H 2 17 VAL MG2 4.000 . 5.300 4.203 4.203 4.203 . 0 0 "[ ]" 2
21 2 4 THR H 2 108 SER HA 4.000 . 4.300 3.229 3.229 3.229 . 0 0 "[ ]" 2
22 2 5 ASN H 2 6 TYR H 3.000 . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 2
23 2 3 ASP QB 2 6 TYR H 4.000 . 5.300 4.089 4.089 4.089 . 0 0 "[ ]" 2
24 2 5 ASN HA 2 6 TYR H 4.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 2
25 2 5 ASN QB 2 6 TYR H 3.000 . 4.300 2.558 2.558 2.558 . 0 0 "[ ]" 2
26 2 6 TYR H 2 6 TYR HB2 2.500 . 2.800 2.860 2.860 2.860 0.060 1 0 "[ ]" 2
27 2 6 TYR H 2 6 TYR HB3 2.500 . 2.800 2.323 2.323 2.323 . 0 0 "[ ]" 2
28 2 6 TYR H 2 6 TYR HD2 4.000 . 4.300 4.366 4.366 4.366 0.066 1 0 "[ ]" 2
29 2 6 TYR H 2 7 CYS H 3.000 . 3.300 2.357 2.357 2.357 . 0 0 "[ ]" 2
30 2 4 THR HA 2 7 CYS H 4.000 . 4.300 3.562 3.562 3.562 . 0 0 "[ ]" 2
31 2 5 ASN HA 2 7 CYS H 4.000 . 4.300 4.305 4.305 4.305 0.005 1 0 "[ ]" 2
32 2 6 TYR HA 2 7 CYS H 4.000 . 4.300 3.470 3.470 3.470 . 0 0 "[ ]" 2
33 2 6 TYR HB2 2 7 CYS H 4.000 . 4.300 4.228 4.228 4.228 . 0 0 "[ ]" 2
34 2 6 TYR HB3 2 7 CYS H 3.000 . 3.300 3.084 3.084 3.084 . 0 0 "[ ]" 2
35 2 6 TYR HD2 2 7 CYS H 4.000 . 4.300 3.849 3.849 3.849 . 0 0 "[ ]" 2
36 2 7 CYS H 2 7 CYS HB2 3.000 . 3.300 2.402 2.402 2.402 . 0 0 "[ ]" 2
37 2 7 CYS H 2 7 CYS HB3 4.000 . 4.300 3.642 3.642 3.642 . 0 0 "[ ]" 2
38 2 7 CYS H 2 8 PHE H 3.000 . 3.300 2.274 2.274 2.274 . 0 0 "[ ]" 2
39 2 7 CYS H 2 17 VAL MG1 4.000 . 5.300 3.330 3.330 3.330 . 0 0 "[ ]" 2
40 2 7 CYS HA 2 8 PHE H 4.000 . 4.300 3.460 3.460 3.460 . 0 0 "[ ]" 2
41 2 7 CYS HB3 2 8 PHE H 4.000 . 4.300 3.947 3.947 3.947 . 0 0 "[ ]" 2
42 2 7 CYS HB2 2 8 PHE H 3.000 . 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 2
43 2 8 PHE H 2 8 PHE HB2 2.500 . 2.800 2.231 2.231 2.231 . 0 0 "[ ]" 2
44 2 8 PHE H 2 8 PHE HD1 3.000 . 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 2
45 2 8 PHE H 2 9 SER H 3.000 . 3.300 2.929 2.929 2.929 . 0 0 "[ ]" 2
46 2 8 PHE HA 2 9 SER H 3.000 . 3.300 2.966 2.966 2.966 . 0 0 "[ ]" 2
47 2 8 PHE HB2 2 9 SER H 4.000 . 4.300 4.165 4.165 4.165 . 0 0 "[ ]" 2
48 2 9 SER H 2 10 SER H 4.000 . 4.300 3.034 3.034 3.034 . 0 0 "[ ]" 2
49 2 10 SER HA 2 11 THR H 3.000 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 2
50 2 10 SER QB 2 11 THR H 2.500 . 3.800 2.261 2.261 2.261 . 0 0 "[ ]" 2
51 2 11 THR H 2 11 THR HA 3.000 . 3.300 2.979 2.979 2.979 . 0 0 "[ ]" 2
52 2 11 THR H 2 11 THR HB 3.000 . 3.300 3.230 3.230 3.230 . 0 0 "[ ]" 2
53 2 11 THR H 2 11 THR MG 3.000 . 4.300 3.613 3.613 3.613 . 0 0 "[ ]" 2
54 2 11 THR HA 2 12 GLU H 3.000 . 3.300 2.278 2.278 2.278 . 0 0 "[ ]" 2
55 2 11 THR HB 2 12 GLU H 3.000 . 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 2
56 2 12 GLU H 2 12 GLU QB 3.000 . 4.300 2.731 2.731 2.731 . 0 0 "[ ]" 2
57 2 12 GLU HA 2 13 LYS H 3.000 . 3.300 2.422 2.422 2.422 . 0 0 "[ ]" 2
58 2 12 GLU QB 2 13 LYS H 3.000 . 4.300 3.202 3.202 3.202 . 0 0 "[ ]" 2
59 2 13 LYS H 2 13 LYS QB 2.500 . 3.800 2.915 2.915 2.915 . 0 0 "[ ]" 2
60 2 13 LYS H 2 13 LYS QG 4.000 . 5.300 2.346 2.346 2.346 . 0 0 "[ ]" 2
61 2 13 LYS H 2 14 ASN H 2.500 . 2.800 1.874 1.874 1.874 . 0 0 "[ ]" 2
62 2 12 GLU QB 2 14 ASN H 4.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 2
63 2 12 GLU QG 2 14 ASN H 3.000 . 4.300 2.614 2.614 2.614 . 0 0 "[ ]" 2
64 2 13 LYS HA 2 14 ASN H 4.000 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 2
65 2 13 LYS QB 2 14 ASN H 3.000 . 4.300 2.652 2.652 2.652 . 0 0 "[ ]" 2
66 2 13 LYS QG 2 14 ASN H 4.000 . 5.300 3.473 3.473 3.473 . 0 0 "[ ]" 2
67 2 14 ASN H 2 14 ASN HB2 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 2
68 2 14 ASN HA 2 15 CYS H 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2
69 2 14 ASN HB2 2 15 CYS H 3.000 . 3.300 2.245 2.245 2.245 . 0 0 "[ ]" 2
70 2 14 ASN HB3 2 15 CYS H 3.000 . 3.300 2.009 2.009 2.009 . 0 0 "[ ]" 2
71 2 15 CYS H 2 15 CYS HA 3.000 . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 2
72 2 15 CYS H 2 15 CYS HB3 3.000 . 3.300 2.286 2.286 2.286 . 0 0 "[ ]" 2
73 2 15 CYS H 2 15 CYS HB2 3.000 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 2
74 2 15 CYS H 2 48 CYS HA 3.000 . 3.300 2.663 2.663 2.663 . 0 0 "[ ]" 2
75 2 15 CYS H 2 52 TRP HD1 3.000 . 3.300 3.286 3.286 3.286 . 0 0 "[ ]" 2
76 2 15 CYS HA 2 16 CYS H 2.500 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 2
77 2 16 CYS H 2 45 LEU H 4.000 . 4.300 3.110 3.110 3.110 . 0 0 "[ ]" 2
78 2 2 LEU HA 2 17 VAL H 4.000 . 4.300 4.241 4.241 4.241 . 0 0 "[ ]" 2
79 2 7 CYS HB2 2 17 VAL H 4.000 . 4.300 3.388 3.388 3.388 . 0 0 "[ ]" 2
80 2 7 CYS HB3 2 17 VAL H 4.000 . 4.300 3.537 3.537 3.537 . 0 0 "[ ]" 2
81 2 16 CYS HA 2 17 VAL H 2.500 . 2.800 2.194 2.194 2.194 . 0 0 "[ ]" 2
82 2 16 CYS QB 2 17 VAL H 4.000 . 5.300 3.693 3.693 3.693 . 0 0 "[ ]" 2
83 2 17 VAL H 2 17 VAL HB 3.000 . 3.300 2.414 2.414 2.414 . 0 0 "[ ]" 2
84 2 17 VAL H 2 17 VAL MG1 2.500 . 3.800 2.226 2.226 2.226 . 0 0 "[ ]" 2
85 2 17 VAL H 2 17 VAL MG2 4.000 . 5.300 3.744 3.744 3.744 . 0 0 "[ ]" 2
86 2 17 VAL HA 2 18 ARG H 3.000 . 3.300 2.212 2.212 2.212 . 0 0 "[ ]" 2
87 2 17 VAL MG1 2 18 ARG H 4.000 . 5.300 3.762 3.762 3.762 . 0 0 "[ ]" 2
88 2 17 VAL MG2 2 18 ARG H 3.000 . 4.300 2.503 2.503 2.503 . 0 0 "[ ]" 2
89 2 18 ARG H 2 18 ARG QG 4.000 . 5.300 3.206 3.206 3.206 . 0 0 "[ ]" 2
90 2 18 ARG H 2 43 PHE H 4.000 . 4.300 3.177 3.177 3.177 . 0 0 "[ ]" 2
91 2 18 ARG H 2 44 CYS HA 3.000 . 3.300 2.841 2.841 2.841 . 0 0 "[ ]" 2
92 2 8 PHE HE1 2 19 GLN H 3.000 . 3.300 2.345 2.345 2.345 . 0 0 "[ ]" 2
93 2 18 ARG HA 2 19 GLN H 3.000 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 2
94 2 18 ARG QG 2 19 GLN H 3.000 . 4.300 3.446 3.446 3.446 . 0 0 "[ ]" 2
95 2 18 ARG QD 2 19 GLN H 4.000 . 5.300 4.389 4.389 4.389 . 0 0 "[ ]" 2
96 2 19 GLN H 2 19 GLN HB3 2.500 . 2.800 2.430 2.430 2.430 . 0 0 "[ ]" 2
97 2 19 GLN H 2 19 GLN HB2 4.000 . 4.300 3.612 3.612 3.612 . 0 0 "[ ]" 2
98 2 19 GLN H 2 19 GLN QG 2.500 . 3.800 2.245 2.245 2.245 . 0 0 "[ ]" 2
99 2 19 GLN H 2 43 PHE HE1 4.000 . 4.300 3.586 3.586 3.586 . 0 0 "[ ]" 2
100 2 19 GLN HA 2 20 LEU H 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 2
101 2 19 GLN HB2 2 20 LEU H 4.000 . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 2
102 2 20 LEU H 2 42 ASN H 3.000 . 3.300 2.523 2.523 2.523 . 0 0 "[ ]" 2
103 2 20 LEU H 2 42 ASN HA 3.000 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 2
104 2 19 GLN HA 2 21 TYR H 4.000 . 4.300 4.313 4.313 4.313 0.013 1 0 "[ ]" 2
105 2 20 LEU HA 2 21 TYR H 2.500 . 2.800 2.800 2.800 2.800 0.000 1 0 "[ ]" 2
106 2 20 LEU MD1 2 21 TYR H 4.000 . 5.300 4.004 4.004 4.004 . 0 0 "[ ]" 2
107 2 21 TYR H 2 21 TYR HA 3.000 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 2
108 2 21 TYR H 2 21 TYR HB2 2.500 . 2.800 2.610 2.610 2.610 . 0 0 "[ ]" 2
109 2 21 TYR H 2 21 TYR HB3 3.000 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 2
110 2 21 TYR HD1 2 22 ILE H 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2
111 2 21 TYR HD2 2 22 ILE H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 2
112 2 21 TYR HA 2 22 ILE H 2.500 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 2
113 2 22 ILE H 2 22 ILE HB 3.000 . 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 2
114 2 22 ILE H 2 22 ILE QG 3.000 . 4.300 2.728 2.728 2.728 . 0 0 "[ ]" 2
115 2 22 ILE H 2 22 ILE MG 4.000 . 5.300 3.877 3.877 3.877 . 0 0 "[ ]" 2
116 2 22 ILE H 2 39 TYR H 3.000 . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 2
117 2 22 ILE H 2 40 HIS HA 4.000 . 4.300 3.838 3.838 3.838 . 0 0 "[ ]" 2
118 2 22 ILE H 2 41 ALA MB 4.000 . 5.300 3.194 3.194 3.194 . 0 0 "[ ]" 2
119 2 22 ILE HA 2 23 ASP H 2.500 . 2.800 2.193 2.193 2.193 . 0 0 "[ ]" 2
120 2 22 ILE QG 2 23 ASP H 4.000 . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 2
121 2 22 ILE MG 2 23 ASP H 3.000 . 4.300 2.708 2.708 2.708 . 0 0 "[ ]" 2
122 2 23 ASP H 2 23 ASP HB3 3.000 . 3.300 2.465 2.465 2.465 . 0 0 "[ ]" 2
123 2 23 ASP H 2 23 ASP HB2 3.000 . 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 2
124 2 23 ASP H 2 27 ASP HB2 3.000 . 3.300 2.636 2.636 2.636 . 0 0 "[ ]" 2
125 2 23 ASP H 2 27 ASP H 4.000 . 4.300 3.231 3.231 3.231 . 0 0 "[ ]" 2
126 2 21 TYR HE1 2 24 PHE H 4.000 . 4.300 4.336 4.336 4.336 0.036 1 0 "[ ]" 2
127 2 23 ASP HA 2 24 PHE H 2.500 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 2
128 2 24 PHE H 2 24 PHE HA 3.000 . 3.300 2.573 2.573 2.573 . 0 0 "[ ]" 2
129 2 24 PHE H 2 24 PHE HB2 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 2
130 2 24 PHE H 2 24 PHE HB3 4.000 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 2
131 2 24 PHE H 2 24 PHE HD2 3.000 . 3.300 2.929 2.929 2.929 . 0 0 "[ ]" 2
132 2 24 PHE H 2 25 ARG H 4.000 . 4.300 3.495 3.495 3.495 . 0 0 "[ ]" 2
133 2 24 PHE H 2 38 GLY QA 2.500 . 3.800 1.849 1.849 1.849 . 0 0 "[ ]" 2
134 2 24 PHE HA 2 25 ARG H 4.000 . 4.300 3.595 3.595 3.595 . 0 0 "[ ]" 2
135 2 24 PHE HB2 2 25 ARG H 3.000 . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 2
136 2 24 PHE HB3 2 25 ARG H 3.000 . 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 2
137 2 25 ARG H 2 25 ARG QB 2.500 . 3.800 2.297 2.297 2.297 . 0 0 "[ ]" 2
138 2 25 ARG H 2 26 LYS H 3.000 . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 2
139 2 25 ARG H 2 27 ASP H 4.000 . 4.300 4.356 4.356 4.356 0.056 1 0 "[ ]" 2
140 2 23 ASP HA 2 26 LYS H 4.000 . 4.300 4.373 4.373 4.373 0.073 1 0 "[ ]" 2
141 2 23 ASP QB 2 26 LYS H 3.000 . 4.300 2.765 2.765 2.765 . 0 0 "[ ]" 2
142 2 25 ARG HA 2 26 LYS H 4.000 . 4.300 3.571 3.571 3.571 . 0 0 "[ ]" 2
143 2 25 ARG QB 2 26 LYS H 2.500 . 3.800 2.632 2.632 2.632 . 0 0 "[ ]" 2
144 2 26 LYS H 2 26 LYS HA 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 2
145 2 26 LYS H 2 26 LYS HB2 3.000 . 3.300 2.209 2.209 2.209 . 0 0 "[ ]" 2
146 2 26 LYS H 2 26 LYS HB3 3.000 . 3.300 2.981 2.981 2.981 . 0 0 "[ ]" 2
147 2 26 LYS H 2 27 ASP H 2.500 . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 2
148 2 22 ILE MG 2 27 ASP H 4.000 . 5.300 3.450 3.450 3.450 . 0 0 "[ ]" 2
149 2 23 ASP QB 2 27 ASP H 3.000 . 4.300 2.702 2.702 2.702 . 0 0 "[ ]" 2
150 2 26 LYS HB2 2 27 ASP H 3.000 . 3.300 3.382 3.382 3.382 0.082 1 0 "[ ]" 2
151 2 26 LYS HB3 2 27 ASP H 3.000 . 3.300 2.348 2.348 2.348 . 0 0 "[ ]" 2
152 2 27 ASP H 2 27 ASP HB2 3.000 . 3.300 2.163 2.163 2.163 . 0 0 "[ ]" 2
153 2 27 ASP H 2 27 ASP HB3 3.000 . 3.300 3.467 3.467 3.467 0.167 1 0 "[ ]" 2
154 2 27 ASP H 2 28 LEU H 2.500 . 2.800 2.620 2.620 2.620 . 0 0 "[ ]" 2
155 2 27 ASP H 2 29 GLY H 4.000 . 4.300 3.502 3.502 3.502 . 0 0 "[ ]" 2
156 2 22 ILE MG 2 28 LEU H 3.000 . 4.300 2.890 2.890 2.890 . 0 0 "[ ]" 2
157 2 24 PHE HA 2 28 LEU H 4.000 . 4.300 3.609 3.609 3.609 . 0 0 "[ ]" 2
158 2 27 ASP HB2 2 28 LEU H 2.500 . 2.800 2.591 2.591 2.591 . 0 0 "[ ]" 2
159 2 27 ASP HB3 2 28 LEU H 3.000 . 3.300 2.906 2.906 2.906 . 0 0 "[ ]" 2
160 2 28 LEU H 2 28 LEU HB2 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 2
161 2 28 LEU H 2 28 LEU HB3 4.000 . 4.300 3.663 3.663 3.663 . 0 0 "[ ]" 2
162 2 28 LEU H 2 28 LEU HG 2.500 . 2.800 2.264 2.264 2.264 . 0 0 "[ ]" 2
163 2 28 LEU H 2 28 LEU MD2 4.000 . 5.300 3.089 3.089 3.089 . 0 0 "[ ]" 2
164 2 28 LEU H 2 29 GLY H 3.000 . 3.300 2.401 2.401 2.401 . 0 0 "[ ]" 2
165 2 25 ARG HA 2 29 GLY H 2.500 . 2.800 2.517 2.517 2.517 . 0 0 "[ ]" 2
166 2 28 LEU HA 2 29 GLY H 4.000 . 4.300 3.468 3.468 3.468 . 0 0 "[ ]" 2
167 2 28 LEU HB2 2 29 GLY H 3.000 . 3.300 3.101 3.101 3.101 . 0 0 "[ ]" 2
168 2 28 LEU HB3 2 29 GLY H 4.000 . 4.300 4.093 4.093 4.093 . 0 0 "[ ]" 2
169 2 28 LEU HG 2 29 GLY H 4.000 . 4.300 4.331 4.331 4.331 0.031 1 0 "[ ]" 2
170 2 29 GLY H 2 29 GLY HA3 3.000 . 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 2
171 2 29 GLY H 2 29 GLY HA2 2.500 . 2.800 2.359 2.359 2.359 . 0 0 "[ ]" 2
172 2 29 GLY H 2 30 TRP H 3.000 . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 2
173 2 25 ARG HA 2 30 TRP H 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 2
174 2 28 LEU HB3 2 30 TRP H 3.000 . 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 2
175 2 28 LEU HB2 2 30 TRP H 2.500 . 2.800 2.386 2.386 2.386 . 0 0 "[ ]" 2
176 2 29 GLY QA 2 30 TRP H 3.000 . 4.300 2.917 2.917 2.917 . 0 0 "[ ]" 2
177 2 30 TRP H 2 30 TRP HB2 3.000 . 3.300 2.300 2.300 2.300 . 0 0 "[ ]" 2
178 2 30 TRP H 2 30 TRP HB3 4.000 . 4.300 3.575 3.575 3.575 . 0 0 "[ ]" 2
179 2 30 TRP HA 2 31 LYS H 2.500 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 2
180 2 30 TRP HB3 2 31 LYS H 4.000 . 4.300 3.419 3.419 3.419 . 0 0 "[ ]" 2
181 2 31 LYS H 2 31 LYS HB3 3.000 . 3.300 3.486 3.486 3.486 0.186 1 0 "[ ]" 2
182 2 31 LYS H 2 31 LYS HB2 2.500 . 2.800 2.239 2.239 2.239 . 0 0 "[ ]" 2
183 2 31 LYS H 2 31 LYS QG 3.000 . 4.300 3.252 3.252 3.252 . 0 0 "[ ]" 2
184 2 31 LYS H 2 32 TRP H 2.500 . 2.800 2.090 2.090 2.090 . 0 0 "[ ]" 2
185 2 31 LYS H 2 32 TRP HD1 4.000 . 4.300 3.016 3.016 3.016 . 0 0 "[ ]" 2
186 2 30 TRP HA 2 32 TRP H 4.000 . 4.300 3.549 3.549 3.549 . 0 0 "[ ]" 2
187 2 30 TRP HB3 2 32 TRP H 4.000 . 4.300 3.224 3.224 3.224 . 0 0 "[ ]" 2
188 2 31 LYS HA 2 32 TRP H 4.000 . 4.300 3.409 3.409 3.409 . 0 0 "[ ]" 2
189 2 31 LYS HB2 2 32 TRP H 3.000 . 3.300 3.360 3.360 3.360 0.060 1 0 "[ ]" 2
190 2 31 LYS HB3 2 32 TRP H 4.000 . 4.300 3.833 3.833 3.833 . 0 0 "[ ]" 2
191 2 32 TRP H 2 32 TRP HB3 3.000 . 3.300 2.563 2.563 2.563 . 0 0 "[ ]" 2
192 2 32 TRP H 2 32 TRP HB2 4.000 . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 2
193 2 32 TRP H 2 32 TRP HE1 4.000 . 4.300 4.348 4.348 4.348 0.048 1 0 "[ ]" 2
194 2 32 TRP H 2 33 ILE HB 4.000 . 4.300 4.311 4.311 4.311 0.011 1 0 "[ ]" 2
195 2 32 TRP H 2 33 ILE QG 4.000 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 2
196 2 32 TRP H 2 33 ILE H 3.000 . 3.300 2.471 2.471 2.471 . 0 0 "[ ]" 2
197 2 31 LYS HA 2 33 ILE H 4.000 . 4.300 3.552 3.552 3.552 . 0 0 "[ ]" 2
198 2 32 TRP HA 2 33 ILE H 3.000 . 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 2
199 2 32 TRP HB3 2 33 ILE H 4.000 . 4.300 4.244 4.244 4.244 . 0 0 "[ ]" 2
200 2 33 ILE H 2 33 ILE HA 3.000 . 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 2
201 2 33 ILE H 2 33 ILE HB 2.500 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 2
202 2 33 ILE H 2 33 ILE MG 4.000 . 5.300 3.687 3.687 3.687 . 0 0 "[ ]" 2
203 2 33 ILE H 2 33 ILE QG 2.500 . 3.800 3.271 3.271 3.271 . 0 0 "[ ]" 2
204 2 33 ILE H 2 33 ILE MD 4.000 . 5.300 4.163 4.163 4.163 . 0 0 "[ ]" 2
205 2 33 ILE HA 2 34 HIS H 2.500 . 2.800 2.189 2.189 2.189 . 0 0 "[ ]" 2
206 2 33 ILE MG 2 34 HIS H 3.000 . 4.300 2.692 2.692 2.692 . 0 0 "[ ]" 2
207 2 34 HIS H 2 34 HIS QB 2.500 . 3.800 2.256 2.256 2.256 . 0 0 "[ ]" 2
208 2 34 HIS H 2 35 GLU H 3.000 . 3.300 2.433 2.433 2.433 . 0 0 "[ ]" 2
209 2 34 HIS H 2 89 VAL H 4.000 . 4.300 3.770 3.770 3.770 . 0 0 "[ ]" 2
210 2 34 HIS H 2 90 TYR HA 3.000 . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 2
211 2 34 HIS H 2 90 TYR HB2 4.000 . 4.300 4.315 4.315 4.315 0.015 1 0 "[ ]" 2
212 2 34 HIS H 2 90 TYR HB3 4.000 . 4.300 3.192 3.192 3.192 . 0 0 "[ ]" 2
213 2 33 ILE HA 2 35 GLU H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 2
214 2 33 ILE MG 2 35 GLU H 3.000 . 4.300 2.995 2.995 2.995 . 0 0 "[ ]" 2
215 2 34 HIS HA 2 35 GLU H 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 2
216 2 34 HIS QB 2 35 GLU H 3.000 . 4.300 2.416 2.416 2.416 . 0 0 "[ ]" 2
217 2 35 GLU H 2 35 GLU HB2 3.000 . 3.300 2.558 2.558 2.558 . 0 0 "[ ]" 2
218 2 35 GLU H 2 35 GLU HB3 4.000 . 4.300 3.683 3.683 3.683 . 0 0 "[ ]" 2
219 2 35 GLU H 2 89 VAL HB 3.000 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 2
220 2 35 GLU H 2 89 VAL MG1 4.000 . 5.300 4.080 4.080 4.080 . 0 0 "[ ]" 2
221 2 35 GLU H 2 89 VAL MG2 4.000 . 5.300 3.884 3.884 3.884 . 0 0 "[ ]" 2
222 2 35 GLU H 2 89 VAL H 3.000 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 2
223 2 36 PRO HA 2 37 LYS H 3.000 . 3.300 2.522 2.522 2.522 . 0 0 "[ ]" 2
224 2 36 PRO QB 2 37 LYS H 2.500 . 3.800 2.470 2.470 2.470 . 0 0 "[ ]" 2
225 2 36 PRO QG 2 37 LYS H 4.000 . 5.300 4.202 4.202 4.202 . 0 0 "[ ]" 2
226 2 37 LYS H 2 37 LYS HA 3.000 . 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 2
227 2 37 LYS H 2 37 LYS HB2 2.500 . 2.800 2.148 2.148 2.148 . 0 0 "[ ]" 2
228 2 37 LYS H 2 37 LYS HB3 3.000 . 3.300 3.472 3.472 3.472 0.172 1 0 "[ ]" 2
229 2 37 LYS H 2 37 LYS QG 3.000 . 4.300 2.849 2.849 2.849 . 0 0 "[ ]" 2
230 2 37 LYS H 2 37 LYS QD 4.000 . 5.300 3.199 3.199 3.199 . 0 0 "[ ]" 2
231 2 37 LYS H 2 38 GLY H 2.500 . 2.800 2.655 2.655 2.655 . 0 0 "[ ]" 2
232 2 24 PHE HD2 2 38 GLY H 4.000 . 4.300 3.265 3.265 3.265 . 0 0 "[ ]" 2
233 2 24 PHE HE2 2 38 GLY H 4.000 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 2
234 2 36 PRO HA 2 38 GLY H 4.000 . 4.300 4.342 4.342 4.342 0.042 1 0 "[ ]" 2
235 2 36 PRO QB 2 38 GLY H 2.500 . 3.800 2.437 2.437 2.437 . 0 0 "[ ]" 2
236 2 36 PRO QG 2 38 GLY H 4.000 . 5.300 3.418 3.418 3.418 . 0 0 "[ ]" 2
237 2 37 LYS HA 2 38 GLY H 4.000 . 4.300 3.525 3.525 3.525 . 0 0 "[ ]" 2
238 2 37 LYS HB2 2 38 GLY H 2.500 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 2
239 2 37 LYS HB3 2 38 GLY H 3.000 . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 2
240 2 37 LYS QG 2 38 GLY H 4.000 . 5.300 4.377 4.377 4.377 . 0 0 "[ ]" 2
241 2 38 GLY H 2 38 GLY QA 2.500 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 2
242 2 21 TYR HE2 2 39 TYR H 4.000 . 4.300 3.403 3.403 3.403 . 0 0 "[ ]" 2
243 2 22 ILE HB 2 39 TYR H 4.000 . 4.300 3.995 3.995 3.995 . 0 0 "[ ]" 2
244 2 23 ASP HA 2 39 TYR H 4.000 . 4.300 3.736 3.736 3.736 . 0 0 "[ ]" 2
245 2 38 GLY QA 2 39 TYR H 2.500 . 3.800 2.239 2.239 2.239 . 0 0 "[ ]" 2
246 2 39 TYR H 2 39 TYR HA 3.000 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 2
247 2 39 TYR H 2 39 TYR HD1 3.000 . 3.300 2.550 2.550 2.550 . 0 0 "[ ]" 2
248 2 39 TYR HA 2 40 HIS H 2.500 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 2
249 2 39 TYR QB 2 40 HIS H 3.000 . 4.300 2.300 2.300 2.300 . 0 0 "[ ]" 2
250 2 39 TYR HD2 2 40 HIS H 4.000 . 4.300 2.916 2.916 2.916 . 0 0 "[ ]" 2
251 2 40 HIS H 2 40 HIS QB 3.000 . 4.300 2.423 2.423 2.423 . 0 0 "[ ]" 2
252 2 40 HIS H 2 105 ILE MG 4.000 . 5.300 4.291 4.291 4.291 . 0 0 "[ ]" 2
253 2 21 TYR HA 2 41 ALA H 3.000 . 3.300 2.377 2.377 2.377 . 0 0 "[ ]" 2
254 2 22 ILE H 2 41 ALA H 2.500 . 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 2
255 2 40 HIS HA 2 41 ALA H 3.000 . 3.300 2.385 2.385 2.385 . 0 0 "[ ]" 2
256 2 41 ALA H 2 41 ALA MB 2.500 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 2
257 2 41 ALA H 2 42 ASN H 2.500 . 2.800 2.616 2.616 2.616 . 0 0 "[ ]" 2
258 2 20 LEU QB 2 42 ASN H 2.500 . 3.800 2.331 2.331 2.331 . 0 0 "[ ]" 2
259 2 40 HIS HA 2 42 ASN H 4.000 . 4.300 3.416 3.416 3.416 . 0 0 "[ ]" 2
260 2 41 ALA MB 2 42 ASN H 3.000 . 4.300 2.793 2.793 2.793 . 0 0 "[ ]" 2
261 2 17 VAL HA 2 43 PHE H 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 2
262 2 17 VAL MG2 2 43 PHE H 2.500 . 3.800 2.111 2.111 2.111 . 0 0 "[ ]" 2
263 2 17 VAL MG1 2 43 PHE H 4.000 . 5.300 4.396 4.396 4.396 . 0 0 "[ ]" 2
264 2 20 LEU MD2 2 43 PHE H 4.000 . 5.300 4.275 4.275 4.275 . 0 0 "[ ]" 2
265 2 42 ASN HA 2 43 PHE H 3.000 . 3.300 2.567 2.567 2.567 . 0 0 "[ ]" 2
266 2 42 ASN QB 2 43 PHE H 2.500 . 3.800 2.236 2.236 2.236 . 0 0 "[ ]" 2
267 2 43 PHE H 2 43 PHE HD1 3.000 . 3.300 2.079 2.079 2.079 . 0 0 "[ ]" 2
268 2 43 PHE H 2 106 VAL HB 4.000 . 4.300 3.959 3.959 3.959 . 0 0 "[ ]" 2
269 2 43 PHE H 2 106 VAL MG2 4.000 . 5.300 3.975 3.975 3.975 . 0 0 "[ ]" 2
270 2 20 LEU QB 2 43 PHE H 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 2
271 2 43 PHE HA 2 44 CYS H 3.000 . 3.300 2.732 2.732 2.732 . 0 0 "[ ]" 2
272 2 43 PHE QB 2 44 CYS H 2.500 . 3.800 2.138 2.138 2.138 . 0 0 "[ ]" 2
273 2 43 PHE HD2 2 44 CYS H 4.000 . 4.300 3.193 3.193 3.193 . 0 0 "[ ]" 2
274 2 44 CYS H 2 44 CYS HB2 3.000 . 3.300 3.049 3.049 3.049 . 0 0 "[ ]" 2
275 2 44 CYS H 2 44 CYS HB3 4.000 . 4.300 3.890 3.890 3.890 . 0 0 "[ ]" 2
276 2 18 ARG HE 2 45 LEU H 4.000 . 4.300 3.857 3.857 3.857 . 0 0 "[ ]" 2
277 2 18 ARG QG 2 45 LEU H 4.000 . 5.300 4.342 4.342 4.342 . 0 0 "[ ]" 2
278 2 44 CYS HA 2 45 LEU H 2.500 . 2.800 2.297 2.297 2.297 . 0 0 "[ ]" 2
279 2 44 CYS HB3 2 45 LEU H 4.000 . 4.300 3.059 3.059 3.059 . 0 0 "[ ]" 2
280 2 45 LEU H 2 45 LEU MD1 4.000 . 5.300 4.463 4.463 4.463 . 0 0 "[ ]" 2
281 2 45 LEU H 2 45 LEU MD2 4.000 . 5.300 3.913 3.913 3.913 . 0 0 "[ ]" 2
282 2 45 LEU H 2 45 LEU HB3 4.000 . 4.300 3.829 3.829 3.829 . 0 0 "[ ]" 2
283 2 45 LEU H 2 45 LEU HB2 3.000 . 3.300 2.723 2.723 2.723 . 0 0 "[ ]" 2
284 2 45 LEU HA 2 46 GLY H 3.000 . 3.300 2.312 2.312 2.312 . 0 0 "[ ]" 2
285 2 45 LEU HB3 2 46 GLY H 2.500 . 2.800 2.808 2.808 2.808 0.008 1 0 "[ ]" 2
286 2 45 LEU HB2 2 46 GLY H 4.000 . 4.300 4.012 4.012 4.012 . 0 0 "[ ]" 2
287 2 47 PRO HA 2 48 CYS H 2.500 . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 2
288 2 47 PRO QB 2 48 CYS H 2.500 . 3.800 1.903 1.903 1.903 . 0 0 "[ ]" 2
289 2 47 PRO QG 2 48 CYS H 4.000 . 5.300 3.671 3.671 3.671 . 0 0 "[ ]" 2
290 2 48 CYS H 2 48 CYS QB 2.500 . 3.800 3.306 3.306 3.306 . 0 0 "[ ]" 2
291 2 49 PRO HA 2 50 TYR H 3.000 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 2
292 2 49 PRO QB 2 50 TYR H 3.000 . 4.300 1.809 1.809 1.809 . 0 0 "[ ]" 2
293 2 50 TYR H 2 50 TYR QB 3.000 . 4.300 2.919 2.919 2.919 . 0 0 "[ ]" 2
294 2 50 TYR H 2 50 TYR HD1 3.000 . 3.300 3.257 3.257 3.257 . 0 0 "[ ]" 2
295 2 49 PRO QG 2 52 TRP H 3.000 . 4.300 3.138 3.138 3.138 . 0 0 "[ ]" 2
296 2 51 ILE HA 2 52 TRP H 4.000 . 4.300 3.124 3.124 3.124 . 0 0 "[ ]" 2
297 2 51 ILE HB 2 52 TRP H 4.000 . 4.300 4.353 4.353 4.353 0.053 1 0 "[ ]" 2
298 2 51 ILE HG13 2 52 TRP H 3.000 . 3.300 3.313 3.313 3.313 0.013 1 0 "[ ]" 2
299 2 51 ILE MG 2 52 TRP H 4.000 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 2
300 2 52 TRP H 2 52 TRP HA 3.000 . 3.300 2.932 2.932 2.932 . 0 0 "[ ]" 2
301 2 52 TRP H 2 52 TRP QB 2.500 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 2
302 2 53 SER HA 2 54 LEU H 2.500 . 2.800 2.441 2.441 2.441 . 0 0 "[ ]" 2
303 2 54 LEU H 2 54 LEU HB3 4.000 . 4.300 3.636 3.636 3.636 . 0 0 "[ ]" 2
304 2 54 LEU H 2 54 LEU HB2 2.500 . 2.800 2.529 2.529 2.529 . 0 0 "[ ]" 2
305 2 54 LEU H 2 54 LEU HG 2.500 . 2.800 2.164 2.164 2.164 . 0 0 "[ ]" 2
306 2 54 LEU H 2 54 LEU MD1 4.000 . 5.300 3.229 3.229 3.229 . 0 0 "[ ]" 2
307 2 54 LEU HA 2 55 ASP H 2.500 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 2
308 2 54 LEU HB3 2 55 ASP H 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 2
309 2 54 LEU HB2 2 55 ASP H 4.000 . 4.300 4.156 4.156 4.156 . 0 0 "[ ]" 2
310 2 54 LEU MD2 2 55 ASP H 4.000 . 5.300 3.769 3.769 3.769 . 0 0 "[ ]" 2
311 2 55 ASP H 2 55 ASP QB 2.500 . 3.800 2.325 2.325 2.325 . 0 0 "[ ]" 2
312 2 55 ASP H 2 56 THR MG 4.000 . 5.300 4.079 4.079 4.079 . 0 0 "[ ]" 2
313 2 55 ASP H 2 56 THR H 3.000 . 3.300 2.697 2.697 2.697 . 0 0 "[ ]" 2
314 2 55 ASP H 2 59 SER QB 3.000 . 4.300 2.731 2.731 2.731 . 0 0 "[ ]" 2
315 2 55 ASP H 2 111 CYS HB2 4.000 . 4.300 3.477 3.477 3.477 . 0 0 "[ ]" 2
316 2 55 ASP H 2 111 CYS HB3 4.000 . 4.300 4.279 4.279 4.279 . 0 0 "[ ]" 2
317 2 55 ASP QB 2 56 THR H 2.500 . 3.800 2.013 2.013 2.013 . 0 0 "[ ]" 2
318 2 56 THR H 2 56 THR MG 2.500 . 3.800 1.931 1.931 1.931 . 0 0 "[ ]" 2
319 2 56 THR H 2 59 SER QB 3.000 . 4.300 3.147 3.147 3.147 . 0 0 "[ ]" 2
320 2 56 THR H 2 59 SER H 4.000 . 4.300 3.882 3.882 3.882 . 0 0 "[ ]" 2
321 2 56 THR HA 2 57 GLN H 3.000 . 3.300 2.473 2.473 2.473 . 0 0 "[ ]" 2
322 2 56 THR HB 2 57 GLN H 3.000 . 3.300 2.650 2.650 2.650 . 0 0 "[ ]" 2
323 2 56 THR MG 2 57 GLN H 4.000 . 5.300 4.044 4.044 4.044 . 0 0 "[ ]" 2
324 2 57 GLN H 2 57 GLN QG 4.000 . 5.300 3.986 3.986 3.986 . 0 0 "[ ]" 2
325 2 57 GLN H 2 58 TYR H 3.000 . 3.300 2.604 2.604 2.604 . 0 0 "[ ]" 2
326 2 56 THR HB 2 58 TYR H 3.000 . 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 2
327 2 57 GLN QB 2 58 TYR H 3.000 . 4.300 2.688 2.688 2.688 . 0 0 "[ ]" 2
328 2 58 TYR H 2 58 TYR HD2 4.000 . 4.300 4.230 4.230 4.230 . 0 0 "[ ]" 2
329 2 58 TYR H 2 59 SER H 3.000 . 3.300 2.617 2.617 2.617 . 0 0 "[ ]" 2
330 2 58 TYR HA 2 59 SER H 4.000 . 4.300 3.378 3.378 3.378 . 0 0 "[ ]" 2
331 2 58 TYR QB 2 59 SER H 3.000 . 4.300 3.325 3.325 3.325 . 0 0 "[ ]" 2
332 2 58 TYR HD2 2 59 SER H 4.000 . 4.300 3.952 3.952 3.952 . 0 0 "[ ]" 2
333 2 59 SER H 2 60 LYS H 2.500 . 2.800 2.452 2.452 2.452 . 0 0 "[ ]" 2
334 2 54 LEU HB3 2 60 LYS H 4.000 . 4.300 3.358 3.358 3.358 . 0 0 "[ ]" 2
335 2 54 LEU MD1 2 60 LYS H 4.000 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 2
336 2 54 LEU MD2 2 60 LYS H 4.000 . 5.300 3.094 3.094 3.094 . 0 0 "[ ]" 2
337 2 57 GLN HA 2 60 LYS H 4.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 2
338 2 59 SER QB 2 60 LYS H 3.000 . 4.300 2.800 2.800 2.800 . 0 0 "[ ]" 2
339 2 60 LYS H 2 60 LYS QB 3.000 . 4.300 2.513 2.513 2.513 . 0 0 "[ ]" 2
340 2 60 LYS H 2 61 VAL MG2 4.000 . 5.300 4.225 4.225 4.225 . 0 0 "[ ]" 2
341 2 60 LYS H 2 61 VAL H 2.500 . 2.800 2.339 2.339 2.339 . 0 0 "[ ]" 2
342 2 58 TYR HA 2 61 VAL H 4.000 . 4.300 3.250 3.250 3.250 . 0 0 "[ ]" 2
343 2 60 LYS HA 2 61 VAL H 4.000 . 4.300 3.534 3.534 3.534 . 0 0 "[ ]" 2
344 2 60 LYS QB 2 61 VAL H 3.000 . 4.300 3.463 3.463 3.463 . 0 0 "[ ]" 2
345 2 60 LYS QG 2 61 VAL H 2.500 . 3.800 1.847 1.847 1.847 . 0 0 "[ ]" 2
346 2 61 VAL H 2 61 VAL HA 3.000 . 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 2
347 2 61 VAL H 2 61 VAL HB 2.500 . 2.800 2.287 2.287 2.287 . 0 0 "[ ]" 2
348 2 61 VAL H 2 61 VAL MG2 2.500 . 3.800 2.509 2.509 2.509 . 0 0 "[ ]" 2
349 2 61 VAL H 2 61 VAL MG1 3.000 . 4.300 3.704 3.704 3.704 . 0 0 "[ ]" 2
350 2 61 VAL H 2 62 LEU H 3.000 . 3.300 2.883 2.883 2.883 . 0 0 "[ ]" 2
351 2 58 TYR HA 2 62 LEU H 4.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 2
352 2 59 SER HA 2 62 LEU H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 2
353 2 61 VAL HA 2 62 LEU H 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 2
354 2 61 VAL HB 2 62 LEU H 3.000 . 3.300 2.303 2.303 2.303 . 0 0 "[ ]" 2
355 2 61 VAL MG1 2 62 LEU H 2.500 . 3.800 2.691 2.691 2.691 . 0 0 "[ ]" 2
356 2 61 VAL MG2 2 62 LEU H 4.000 . 5.300 3.856 3.856 3.856 . 0 0 "[ ]" 2
357 2 62 LEU H 2 62 LEU QB 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 2
358 2 62 LEU H 2 63 ALA H 3.000 . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 2
359 2 60 LYS HA 2 63 ALA H 4.000 . 4.300 3.727 3.727 3.727 . 0 0 "[ ]" 2
360 2 62 LEU HA 2 63 ALA H 4.000 . 4.300 3.570 3.570 3.570 . 0 0 "[ ]" 2
361 2 62 LEU QB 2 63 ALA H 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 2
362 2 63 ALA H 2 63 ALA MB 3.000 . 4.300 2.211 2.211 2.211 . 0 0 "[ ]" 2
363 2 63 ALA H 2 64 LEU H 3.000 . 3.300 2.863 2.863 2.863 . 0 0 "[ ]" 2
364 2 50 TYR HD1 2 64 LEU H 4.000 . 4.300 3.459 3.459 3.459 . 0 0 "[ ]" 2
365 2 61 VAL HA 2 64 LEU H 4.000 . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 2
366 2 63 ALA HA 2 64 LEU H 4.000 . 4.300 3.532 3.532 3.532 . 0 0 "[ ]" 2
367 2 63 ALA MB 2 64 LEU H 3.000 . 4.300 2.708 2.708 2.708 . 0 0 "[ ]" 2
368 2 64 LEU H 2 64 LEU HB2 2.500 . 2.800 2.410 2.410 2.410 . 0 0 "[ ]" 2
369 2 64 LEU H 2 64 LEU HB3 4.000 . 4.300 3.640 3.640 3.640 . 0 0 "[ ]" 2
370 2 64 LEU H 2 64 LEU HG 3.000 . 3.300 2.602 2.602 2.602 . 0 0 "[ ]" 2
371 2 64 LEU H 2 64 LEU MD1 4.000 . 5.300 3.240 3.240 3.240 . 0 0 "[ ]" 2
372 2 64 LEU H 2 64 LEU MD2 4.000 . 5.300 3.989 3.989 3.989 . 0 0 "[ ]" 2
373 2 64 LEU H 2 65 TYR H 3.000 . 3.300 2.229 2.229 2.229 . 0 0 "[ ]" 2
374 2 64 LEU H 2 66 ASN H 4.000 . 4.300 3.997 3.997 3.997 . 0 0 "[ ]" 2
375 2 62 LEU HA 2 65 TYR H 3.000 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 2
376 2 64 LEU HB2 2 65 TYR H 2.500 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 2
377 2 64 LEU HB3 2 65 TYR H 4.000 . 4.300 3.788 3.788 3.788 . 0 0 "[ ]" 2
378 2 64 LEU HG 2 65 TYR H 4.000 . 4.300 4.371 4.371 4.371 0.071 1 0 "[ ]" 2
379 2 65 TYR H 2 65 TYR HB2 2.500 . 2.800 2.605 2.605 2.605 . 0 0 "[ ]" 2
380 2 65 TYR H 2 65 TYR HB3 2.500 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 2
381 2 65 TYR H 2 66 ASN H 3.000 . 3.300 2.727 2.727 2.727 . 0 0 "[ ]" 2
382 2 62 LEU HA 2 66 ASN H 4.000 . 4.300 4.000 4.000 4.000 . 0 0 "[ ]" 2
383 2 63 ALA HA 2 66 ASN H 4.000 . 4.300 4.088 4.088 4.088 . 0 0 "[ ]" 2
384 2 65 TYR HB2 2 66 ASN H 4.000 . 4.300 4.021 4.021 4.021 . 0 0 "[ ]" 2
385 2 65 TYR HB3 2 66 ASN H 2.500 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 2
386 2 65 TYR HD2 2 66 ASN H 4.000 . 4.300 3.485 3.485 3.485 . 0 0 "[ ]" 2
387 2 66 ASN H 2 66 ASN HB2 2.500 . 2.800 2.409 2.409 2.409 . 0 0 "[ ]" 2
388 2 66 ASN H 2 66 ASN HB3 2.500 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 2
389 2 66 ASN H 2 67 GLN H 3.000 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 2
390 2 63 ALA HA 2 67 GLN H 4.000 . 4.300 4.315 4.315 4.315 0.015 1 0 "[ ]" 2
391 2 64 LEU HA 2 67 GLN H 4.000 . 4.300 3.156 3.156 3.156 . 0 0 "[ ]" 2
392 2 66 ASN HB2 2 67 GLN H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 2
393 2 66 ASN HB3 2 67 GLN H 2.500 . 2.800 2.283 2.283 2.283 . 0 0 "[ ]" 2
394 2 67 GLN H 2 67 GLN HB2 2.500 . 2.800 2.192 2.192 2.192 . 0 0 "[ ]" 2
395 2 67 GLN H 2 67 GLN HB3 4.000 . 4.300 3.521 3.521 3.521 . 0 0 "[ ]" 2
396 2 67 GLN H 2 67 GLN QG 3.000 . 4.300 2.772 2.772 2.772 . 0 0 "[ ]" 2
397 2 67 GLN H 2 68 HIS H 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 2
398 2 66 ASN HB3 2 68 HIS H 4.000 . 4.300 4.419 4.419 4.419 0.119 1 0 "[ ]" 2
399 2 67 GLN HA 2 68 HIS H 3.000 . 3.300 3.388 3.388 3.388 0.088 1 0 "[ ]" 2
400 2 67 GLN HB3 2 68 HIS H 4.000 . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 2
401 2 67 GLN HB2 2 68 HIS H 3.000 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 2
402 2 67 GLN QG 2 68 HIS H 4.000 . 5.300 4.503 4.503 4.503 . 0 0 "[ ]" 2
403 2 68 HIS H 2 68 HIS HB2 2.500 . 2.800 2.283 2.283 2.283 . 0 0 "[ ]" 2
404 2 68 HIS H 2 68 HIS HB3 4.000 . 4.300 3.542 3.542 3.542 . 0 0 "[ ]" 2
405 2 68 HIS H 2 69 ASN H 3.000 . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 2
406 2 66 ASN HA 2 69 ASN H 3.000 . 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 2
407 2 68 HIS HA 2 69 ASN H 4.000 . 4.300 3.552 3.552 3.552 . 0 0 "[ ]" 2
408 2 68 HIS HB2 2 69 ASN H 3.000 . 3.300 2.825 2.825 2.825 . 0 0 "[ ]" 2
409 2 68 HIS HB3 2 69 ASN H 3.000 . 3.300 3.312 3.312 3.312 0.012 1 0 "[ ]" 2
410 2 69 ASN H 2 69 ASN HA 3.000 . 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 2
411 2 69 ASN H 2 69 ASN HB2 3.000 . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 2
412 2 69 ASN H 2 69 ASN HB3 4.000 . 4.300 3.648 3.648 3.648 . 0 0 "[ ]" 2
413 2 69 ASN H 2 70 PRO QD 4.000 . 5.300 4.002 4.002 4.002 . 0 0 "[ ]" 2
414 2 70 PRO HA 2 71 GLY H 2.500 . 2.800 2.258 2.258 2.258 . 0 0 "[ ]" 2
415 2 70 PRO QB 2 71 GLY H 4.000 . 5.300 3.699 3.699 3.699 . 0 0 "[ ]" 2
416 2 71 GLY H 2 71 GLY HA2 2.500 . 2.800 2.525 2.525 2.525 . 0 0 "[ ]" 2
417 2 71 GLY H 2 71 GLY HA3 3.000 . 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 2
418 2 71 GLY H 2 72 ALA H 2.500 . 2.800 1.870 1.870 1.870 . 0 0 "[ ]" 2
419 2 69 ASN HB3 2 72 ALA H 4.000 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 2
420 2 69 ASN HB2 2 72 ALA H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 2
421 2 71 GLY HA3 2 72 ALA H 4.000 . 4.300 3.427 3.427 3.427 . 0 0 "[ ]" 2
422 2 71 GLY HA2 2 72 ALA H 4.000 . 4.300 3.130 3.130 3.130 . 0 0 "[ ]" 2
423 2 72 ALA H 2 72 ALA HA 3.000 . 3.300 2.986 2.986 2.986 . 0 0 "[ ]" 2
424 2 72 ALA H 2 72 ALA MB 2.500 . 3.800 2.330 2.330 2.330 . 0 0 "[ ]" 2
425 2 72 ALA H 2 73 SER H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 2
426 2 72 ALA HA 2 73 SER H 2.500 . 2.800 2.170 2.170 2.170 . 0 0 "[ ]" 2
427 2 72 ALA MB 2 73 SER H 2.500 . 3.800 3.165 3.165 3.165 . 0 0 "[ ]" 2
428 2 73 SER H 2 73 SER HA 3.000 . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 2
429 2 73 SER H 2 74 ALA MB 4.000 . 5.300 4.019 4.019 4.019 . 0 0 "[ ]" 2
430 2 73 SER H 2 74 ALA H 3.000 . 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 2
431 2 72 ALA MB 2 74 ALA H 3.000 . 4.300 2.532 2.532 2.532 . 0 0 "[ ]" 2
432 2 73 SER QB 2 74 ALA H 4.000 . 5.300 3.755 3.755 3.755 . 0 0 "[ ]" 2
433 2 74 ALA H 2 74 ALA MB 3.000 . 4.300 2.245 2.245 2.245 . 0 0 "[ ]" 2
434 2 74 ALA H 2 75 ALA H 4.000 . 4.300 2.666 2.666 2.666 . 0 0 "[ ]" 2
435 2 62 LEU MD1 2 75 ALA H 4.000 . 5.300 4.158 4.158 4.158 . 0 0 "[ ]" 2
436 2 74 ALA HA 2 75 ALA H 3.000 . 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 2
437 2 74 ALA MB 2 75 ALA H 3.000 . 4.300 3.524 3.524 3.524 . 0 0 "[ ]" 2
438 2 75 ALA H 2 75 ALA MB 3.000 . 4.300 2.059 2.059 2.059 . 0 0 "[ ]" 2
439 2 76 PRO HA 2 77 CYS H 2.500 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 2
440 2 76 PRO QG 2 77 CYS H 4.000 . 5.300 3.661 3.661 3.661 . 0 0 "[ ]" 2
441 2 76 PRO QB 2 77 CYS H 3.000 . 4.300 1.906 1.906 1.906 . 0 0 "[ ]" 2
442 2 77 CYS H 2 112 SER H 4.000 . 4.300 3.985 3.985 3.985 . 0 0 "[ ]" 2
443 2 76 PRO QG 2 78 CYS H 4.000 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 2
444 2 77 CYS HA 2 78 CYS H 2.500 . 2.800 2.259 2.259 2.259 . 0 0 "[ ]" 2
445 2 77 CYS QB 2 78 CYS H 4.000 . 5.300 3.870 3.870 3.870 . 0 0 "[ ]" 2
446 2 78 CYS H 2 78 CYS HB2 2.500 . 2.800 2.453 2.453 2.453 . 0 0 "[ ]" 2
447 2 78 CYS H 2 78 CYS HB3 2.500 . 2.800 2.628 2.628 2.628 . 0 0 "[ ]" 2
448 2 78 CYS HA 2 79 VAL H 2.500 . 2.800 2.288 2.288 2.288 . 0 0 "[ ]" 2
449 2 78 CYS HB2 2 79 VAL H 4.000 . 4.300 4.270 4.270 4.270 . 0 0 "[ ]" 2
450 2 78 CYS HB3 2 79 VAL H 4.000 . 4.300 4.071 4.071 4.071 . 0 0 "[ ]" 2
451 2 79 VAL H 2 79 VAL HA 2.500 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 2
452 2 79 VAL H 2 79 VAL MG2 2.500 . 3.800 2.450 2.450 2.450 . 0 0 "[ ]" 2
453 2 79 VAL H 2 79 VAL MG1 3.000 . 4.300 2.632 2.632 2.632 . 0 0 "[ ]" 2
454 2 79 VAL H 2 110 LYS H 3.000 . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 2
455 2 79 VAL H 2 111 CYS HA 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 2
456 2 80 PRO HA 2 81 GLN H 3.000 . 3.300 2.310 2.310 2.310 . 0 0 "[ ]" 2
457 2 80 PRO QB 2 81 GLN H 4.000 . 5.300 3.787 3.787 3.787 . 0 0 "[ ]" 2
458 2 81 GLN H 2 81 GLN HB2 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 2
459 2 81 GLN H 2 81 GLN HB3 3.000 . 3.300 2.345 2.345 2.345 . 0 0 "[ ]" 2
460 2 81 GLN H 2 81 GLN QG 3.000 . 4.300 3.920 3.920 3.920 . 0 0 "[ ]" 2
461 2 81 GLN H 2 82 ALA H 3.000 . 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 2
462 2 81 GLN H 2 106 VAL MG1 4.000 . 5.300 4.255 4.255 4.255 . 0 0 "[ ]" 2
463 2 81 GLN H 2 109 CYS HA 3.000 . 3.300 2.135 2.135 2.135 . 0 0 "[ ]" 2
464 2 81 GLN HA 2 82 ALA H 4.000 . 4.300 3.582 3.582 3.582 . 0 0 "[ ]" 2
465 2 81 GLN HB2 2 82 ALA H 4.000 . 4.300 3.651 3.651 3.651 . 0 0 "[ ]" 2
466 2 81 GLN HB3 2 82 ALA H 2.500 . 2.800 2.157 2.157 2.157 . 0 0 "[ ]" 2
467 2 81 GLN QG 2 82 ALA H 3.000 . 4.300 2.519 2.519 2.519 . 0 0 "[ ]" 2
468 2 82 ALA H 2 82 ALA HA 3.000 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 2
469 2 82 ALA H 2 82 ALA MB 2.500 . 3.800 2.249 2.249 2.249 . 0 0 "[ ]" 2
470 2 82 ALA H 2 107 ARG H 4.000 . 4.300 4.325 4.325 4.325 0.025 1 0 "[ ]" 2
471 2 82 ALA H 2 108 SER H 4.000 . 4.300 4.149 4.149 4.149 . 0 0 "[ ]" 2
472 2 82 ALA H 2 108 SER QB 4.000 . 5.300 3.236 3.236 3.236 . 0 0 "[ ]" 2
473 2 82 ALA HA 2 83 LEU H 2.500 . 2.800 2.261 2.261 2.261 . 0 0 "[ ]" 2
474 2 82 ALA MB 2 83 LEU H 3.000 . 4.300 2.989 2.989 2.989 . 0 0 "[ ]" 2
475 2 83 LEU H 2 83 LEU HB3 4.000 . 4.300 3.779 3.779 3.779 . 0 0 "[ ]" 2
476 2 83 LEU H 2 83 LEU HB2 3.000 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 2
477 2 83 LEU H 2 83 LEU HG 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2
478 2 83 LEU H 2 83 LEU MD2 4.000 . 5.300 4.226 4.226 4.226 . 0 0 "[ ]" 2
479 2 83 LEU H 2 83 LEU MD1 4.000 . 5.300 3.547 3.547 3.547 . 0 0 "[ ]" 2
480 2 83 LEU H 2 84 GLU H 4.000 . 4.300 4.344 4.344 4.344 0.043 1 0 "[ ]" 2
481 2 83 LEU HA 2 84 GLU H 2.500 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 2
482 2 83 LEU HB3 2 84 GLU H 2.500 . 2.800 1.856 1.856 1.856 . 0 0 "[ ]" 2
483 2 83 LEU HB2 2 84 GLU H 4.000 . 4.300 3.063 3.063 3.063 . 0 0 "[ ]" 2
484 2 83 LEU HG 2 84 GLU H 4.000 . 4.300 4.394 4.394 4.394 0.094 1 0 "[ ]" 2
485 2 83 LEU MD2 2 84 GLU H 4.000 . 5.300 3.183 3.183 3.183 . 0 0 "[ ]" 2
486 2 83 LEU MD1 2 84 GLU H 4.000 . 5.300 4.215 4.215 4.215 . 0 0 "[ ]" 2
487 2 84 GLU H 2 84 GLU HB2 2.500 . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 2
488 2 84 GLU H 2 84 GLU HB3 4.000 . 4.300 3.671 3.671 3.671 . 0 0 "[ ]" 2
489 2 84 GLU H 2 103 ASN HA 3.000 . 3.300 2.683 2.683 2.683 . 0 0 "[ ]" 2
490 2 84 GLU H 2 104 MET H 4.000 . 4.300 3.863 3.863 3.863 . 0 0 "[ ]" 2
491 2 84 GLU H 2 105 ILE H 3.000 . 3.300 2.380 2.380 2.380 . 0 0 "[ ]" 2
492 2 84 GLU H 2 105 ILE HB 3.000 . 3.300 2.744 2.744 2.744 . 0 0 "[ ]" 2
493 2 84 GLU H 2 105 ILE MG 4.000 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 2
494 2 84 GLU H 2 106 VAL HA 4.000 . 4.300 3.876 3.876 3.876 . 0 0 "[ ]" 2
495 2 85 PRO HA 2 86 LEU H 2.500 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 2
496 2 85 PRO QB 2 86 LEU H 2.500 . 3.800 1.946 1.946 1.946 . 0 0 "[ ]" 2
497 2 85 PRO QG 2 86 LEU H 4.000 . 5.300 3.725 3.725 3.725 . 0 0 "[ ]" 2
498 2 86 LEU H 2 86 LEU QB 2.500 . 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 2
499 2 86 LEU H 2 100 GLN HA 4.000 . 4.300 3.186 3.186 3.186 . 0 0 "[ ]" 2
500 2 86 LEU H 2 100 GLN HB3 4.000 . 4.300 3.088 3.088 3.088 . 0 0 "[ ]" 2
501 2 86 LEU H 2 100 GLN HB2 4.000 . 4.300 4.318 4.318 4.318 0.018 1 0 "[ ]" 2
502 2 86 LEU H 2 100 GLN QG 4.000 . 5.300 4.615 4.615 4.615 . 0 0 "[ ]" 2
503 2 86 LEU H 2 101 LEU H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2
504 2 86 LEU H 2 101 LEU HB2 4.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 2
505 2 86 LEU H 2 102 SER HA 4.000 . 4.300 4.091 4.091 4.091 . 0 0 "[ ]" 2
506 2 87 PRO HA 2 88 ILE H 2.500 . 2.800 2.232 2.232 2.232 . 0 0 "[ ]" 2
507 2 87 PRO QB 2 88 ILE H 3.000 . 4.300 3.656 3.656 3.656 . 0 0 "[ ]" 2
508 2 88 ILE H 2 88 ILE HG12 2.500 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 2
509 2 88 ILE H 2 88 ILE HG13 4.000 . 4.300 3.540 3.540 3.540 . 0 0 "[ ]" 2
510 2 88 ILE H 2 88 ILE MG 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 2
511 2 88 ILE H 2 88 ILE MD 4.000 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 2
512 2 88 ILE H 2 89 VAL MG2 4.000 . 5.300 4.214 4.214 4.214 . 0 0 "[ ]" 2
513 2 88 ILE H 2 99 GLU H 4.000 . 4.300 2.985 2.985 2.985 . 0 0 "[ ]" 2
514 2 88 ILE H 2 100 GLN HA 4.000 . 4.300 3.029 3.029 3.029 . 0 0 "[ ]" 2
515 2 33 ILE MG 2 89 VAL H 4.000 . 5.300 2.905 2.905 2.905 . 0 0 "[ ]" 2
516 2 88 ILE HA 2 89 VAL H 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 2
517 2 88 ILE HB 2 89 VAL H 3.000 . 3.300 1.947 1.947 1.947 . 0 0 "[ ]" 2
518 2 88 ILE HG13 2 89 VAL H 2.500 . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 2
519 2 88 ILE HG12 2 89 VAL H 3.000 . 3.300 3.415 3.415 3.415 0.115 1 0 "[ ]" 2
520 2 88 ILE MG 2 89 VAL H 4.000 . 5.300 3.593 3.593 3.593 . 0 0 "[ ]" 2
521 2 88 ILE MD 2 89 VAL H 3.000 . 4.300 3.353 3.353 3.353 . 0 0 "[ ]" 2
522 2 89 VAL H 2 89 VAL HB 3.000 . 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 2
523 2 89 VAL H 2 89 VAL MG1 4.000 . 5.300 4.030 4.030 4.030 . 0 0 "[ ]" 2
524 2 89 VAL H 2 89 VAL MG2 2.500 . 3.800 3.004 3.004 3.004 . 0 0 "[ ]" 2
525 2 89 VAL HA 2 90 TYR H 2.500 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 2
526 2 89 VAL HB 2 90 TYR H 4.000 . 4.300 4.268 4.268 4.268 . 0 0 "[ ]" 2
527 2 89 VAL MG1 2 90 TYR H 2.500 . 3.800 2.968 2.968 2.968 . 0 0 "[ ]" 2
528 2 89 VAL MG2 2 90 TYR H 4.000 . 5.300 4.319 4.319 4.319 . 0 0 "[ ]" 2
529 2 90 TYR H 2 90 TYR HA 3.000 . 3.300 2.987 2.987 2.987 . 0 0 "[ ]" 2
530 2 90 TYR H 2 90 TYR HB2 4.000 . 4.300 3.676 3.676 3.676 . 0 0 "[ ]" 2
531 2 90 TYR H 2 90 TYR HB3 3.000 . 3.300 3.353 3.353 3.353 0.053 1 0 "[ ]" 2
532 2 90 TYR H 2 90 TYR HD1 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 2
533 2 90 TYR H 2 97 LYS H 3.000 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 2
534 2 90 TYR H 2 97 LYS QB 4.000 . 5.300 4.010 4.010 4.010 . 0 0 "[ ]" 2
535 2 90 TYR HA 2 91 TYR H 2.500 . 2.800 2.702 2.702 2.702 . 0 0 "[ ]" 2
536 2 90 TYR HB2 2 91 TYR H 2.500 . 2.800 1.934 1.934 1.934 . 0 0 "[ ]" 2
537 2 90 TYR HB3 2 91 TYR H 3.000 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 2
538 2 90 TYR HD2 2 91 TYR H 3.000 . 3.300 3.310 3.310 3.310 0.010 1 0 "[ ]" 2
539 2 91 TYR H 2 91 TYR HB3 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 2
540 2 91 TYR H 2 91 TYR HB2 2.500 . 2.800 2.464 2.464 2.464 . 0 0 "[ ]" 2
541 2 91 TYR H 2 91 TYR HD1 3.000 . 3.300 3.402 3.402 3.402 0.102 1 0 "[ ]" 2
542 2 91 TYR H 2 92 VAL H 4.000 . 4.300 4.392 4.392 4.392 0.092 1 0 "[ ]" 2
543 2 91 TYR HA 2 92 VAL H 2.500 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 2
544 2 91 TYR QB 2 92 VAL H 3.000 . 4.300 3.131 3.131 3.131 . 0 0 "[ ]" 2
545 2 91 TYR HD2 2 92 VAL H 4.000 . 4.300 3.453 3.453 3.453 . 0 0 "[ ]" 2
546 2 92 VAL H 2 92 VAL HB 3.000 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 2
547 2 92 VAL H 2 92 VAL MG2 2.500 . 3.800 2.184 2.184 2.184 . 0 0 "[ ]" 2
548 2 92 VAL H 2 92 VAL MG1 4.000 . 5.300 3.873 3.873 3.873 . 0 0 "[ ]" 2
549 2 92 VAL H 2 93 GLY H 4.000 . 4.300 3.910 3.910 3.910 . 0 0 "[ ]" 2
550 2 92 VAL H 2 94 ARG H 4.000 . 4.300 4.283 4.283 4.283 . 0 0 "[ ]" 2
551 2 92 VAL H 2 95 LYS QB 3.000 . 4.300 3.933 3.933 3.933 . 0 0 "[ ]" 2
552 2 92 VAL H 2 95 LYS H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2
553 2 92 VAL H 2 96 PRO HA 4.000 . 4.300 3.454 3.454 3.454 . 0 0 "[ ]" 2
554 2 92 VAL H 2 97 LYS QG 4.000 . 5.300 3.591 3.591 3.591 . 0 0 "[ ]" 2
555 2 91 TYR HB3 2 93 GLY H 4.000 . 4.300 3.946 3.946 3.946 . 0 0 "[ ]" 2
556 2 92 VAL HA 2 93 GLY H 2.500 . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 2
557 2 92 VAL HB 2 93 GLY H 4.000 . 4.300 4.266 4.266 4.266 . 0 0 "[ ]" 2
558 2 92 VAL MG1 2 93 GLY H 3.000 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 2
559 2 93 GLY H 2 93 GLY HA2 2.500 . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 2
560 2 93 GLY H 2 93 GLY HA3 3.000 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 2
561 2 93 GLY HA3 2 94 ARG H 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 2
562 2 93 GLY HA2 2 94 ARG H 4.000 . 4.300 3.545 3.545 3.545 . 0 0 "[ ]" 2
563 2 94 ARG H 2 94 ARG HB3 4.000 . 4.300 3.895 3.895 3.895 . 0 0 "[ ]" 2
564 2 94 ARG H 2 94 ARG HB2 2.500 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 2
565 2 94 ARG H 2 94 ARG QG 2.500 . 3.800 2.962 2.962 2.962 . 0 0 "[ ]" 2
566 2 94 ARG H 2 94 ARG QD 4.000 . 5.300 4.707 4.707 4.707 . 0 0 "[ ]" 2
567 2 94 ARG H 2 95 LYS H 2.500 . 2.800 1.779 1.779 1.779 0.021 1 0 "[ ]" 2
568 2 91 TYR HD2 2 95 LYS H 4.000 . 4.300 3.835 3.835 3.835 . 0 0 "[ ]" 2
569 2 92 VAL MG2 2 95 LYS H 4.000 . 5.300 4.309 4.309 4.309 . 0 0 "[ ]" 2
570 2 94 ARG HA 2 95 LYS H 3.000 . 3.300 3.341 3.341 3.341 0.041 1 0 "[ ]" 2
571 2 94 ARG HB2 2 95 LYS H 3.000 . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 2
572 2 94 ARG HB3 2 95 LYS H 4.000 . 4.300 4.290 4.290 4.290 . 0 0 "[ ]" 2
573 2 94 ARG QG 2 95 LYS H 4.000 . 5.300 4.186 4.186 4.186 . 0 0 "[ ]" 2
574 2 95 LYS H 2 95 LYS HA 3.000 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 2
575 2 95 LYS H 2 95 LYS QB 2.500 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 2
576 2 95 LYS H 2 95 LYS QG 3.000 . 4.300 3.528 3.528 3.528 . 0 0 "[ ]" 2
577 2 89 VAL MG1 2 97 LYS H 3.000 . 4.300 3.314 3.314 3.314 . 0 0 "[ ]" 2
578 2 91 TYR HA 2 97 LYS H 4.000 . 4.300 3.232 3.232 3.232 . 0 0 "[ ]" 2
579 2 96 PRO HA 2 97 LYS H 2.500 . 2.800 2.278 2.278 2.278 . 0 0 "[ ]" 2
580 2 96 PRO QB 2 97 LYS H 3.000 . 4.300 3.206 3.206 3.206 . 0 0 "[ ]" 2
581 2 96 PRO QG 2 97 LYS H 4.000 . 5.300 4.728 4.728 4.728 . 0 0 "[ ]" 2
582 2 89 VAL MG1 2 98 VAL H 4.000 . 5.300 3.805 3.805 3.805 . 0 0 "[ ]" 2
583 2 97 LYS HA 2 98 VAL H 2.500 . 2.800 2.193 2.193 2.193 . 0 0 "[ ]" 2
584 2 97 LYS QB 2 98 VAL H 3.000 . 4.300 3.243 3.243 3.243 . 0 0 "[ ]" 2
585 2 97 LYS QG 2 98 VAL H 4.000 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 2
586 2 97 LYS QD 2 98 VAL H 4.000 . 5.300 4.687 4.687 4.687 . 0 0 "[ ]" 2
587 2 98 VAL H 2 98 VAL HA 3.000 . 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 2
588 2 98 VAL H 2 98 VAL HB 2.500 . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 2
589 2 98 VAL H 2 98 VAL QG 2.500 . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 2
590 2 88 ILE HG12 2 99 GLU H 3.000 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 2
591 2 88 ILE HG13 2 99 GLU H 3.000 . 3.300 3.184 3.184 3.184 . 0 0 "[ ]" 2
592 2 88 ILE MG 2 99 GLU H 4.000 . 5.300 4.383 4.383 4.383 . 0 0 "[ ]" 2
593 2 89 VAL HA 2 99 GLU H 4.000 . 4.300 3.269 3.269 3.269 . 0 0 "[ ]" 2
594 2 98 VAL HA 2 99 GLU H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 2
595 2 98 VAL HB 2 99 GLU H 4.000 . 4.300 4.126 4.126 4.126 . 0 0 "[ ]" 2
596 2 98 VAL QG 2 99 GLU H 2.500 . 4.500 2.189 2.189 2.189 . 0 0 "[ ]" 2
597 2 99 GLU H 2 99 GLU HA 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 2
598 2 99 GLU H 2 99 GLU HB2 3.000 . 3.300 2.633 2.633 2.633 . 0 0 "[ ]" 2
599 2 99 GLU H 2 99 GLU HB3 3.000 . 3.300 3.335 3.335 3.335 0.035 1 0 "[ ]" 2
600 2 99 GLU H 2 99 GLU QG 4.000 . 5.300 3.962 3.962 3.962 . 0 0 "[ ]" 2
601 2 99 GLU HA 2 100 GLN H 3.000 . 3.300 2.816 2.816 2.816 . 0 0 "[ ]" 2
602 2 99 GLU HB2 2 100 GLN H 3.000 . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 2
603 2 99 GLU HB3 2 100 GLN H 2.500 . 2.800 1.866 1.866 1.866 . 0 0 "[ ]" 2
604 2 99 GLU QG 2 100 GLN H 3.000 . 4.300 2.699 2.699 2.699 . 0 0 "[ ]" 2
605 2 100 GLN H 2 100 GLN HB2 2.500 . 2.800 2.883 2.883 2.883 0.083 1 0 "[ ]" 2
606 2 100 GLN H 2 100 GLN HB3 4.000 . 4.300 3.935 3.935 3.935 . 0 0 "[ ]" 2
607 2 100 GLN H 2 100 GLN QG 3.000 . 4.300 2.882 2.882 2.882 . 0 0 "[ ]" 2
608 2 100 GLN H 2 101 LEU MD2 4.000 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 2
609 2 87 PRO HA 2 101 LEU H 4.000 . 4.300 4.042 4.042 4.042 . 0 0 "[ ]" 2
610 2 88 ILE MG 2 101 LEU H 3.000 . 4.300 2.843 2.843 2.843 . 0 0 "[ ]" 2
611 2 100 GLN HA 2 101 LEU H 2.500 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 2
612 2 100 GLN HB2 2 101 LEU H 4.000 . 4.300 4.403 4.403 4.403 0.103 1 0 "[ ]" 2
613 2 100 GLN HB3 2 101 LEU H 4.000 . 4.300 4.180 4.180 4.180 . 0 0 "[ ]" 2
614 2 100 GLN QG 2 101 LEU H 4.000 . 5.300 4.476 4.476 4.476 . 0 0 "[ ]" 2
615 2 101 LEU H 2 101 LEU HB2 2.500 . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 2
616 2 101 LEU H 2 101 LEU HB3 4.000 . 4.300 3.630 3.630 3.630 . 0 0 "[ ]" 2
617 2 101 LEU H 2 101 LEU HG 2.500 . 2.800 2.069 2.069 2.069 . 0 0 "[ ]" 2
618 2 101 LEU H 2 101 LEU MD1 4.000 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 2
619 2 101 LEU H 2 101 LEU MD2 3.000 . 4.300 2.303 2.303 2.303 . 0 0 "[ ]" 2
620 2 101 LEU HA 2 102 SER H 2.500 . 2.800 2.241 2.241 2.241 . 0 0 "[ ]" 2
621 2 101 LEU HB3 2 102 SER H 2.500 . 2.800 2.878 2.878 2.878 0.078 1 0 "[ ]" 2
622 2 101 LEU HB2 2 102 SER H 4.000 . 4.300 3.852 3.852 3.852 . 0 0 "[ ]" 2
623 2 101 LEU MD2 2 102 SER H 3.000 . 4.300 3.563 3.563 3.563 . 0 0 "[ ]" 2
624 2 102 SER H 2 102 SER HA 3.000 . 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 2
625 2 102 SER H 2 102 SER QB 2.500 . 3.800 2.496 2.496 2.496 . 0 0 "[ ]" 2
626 2 85 PRO HA 2 103 ASN H 3.000 . 3.300 2.611 2.611 2.611 . 0 0 "[ ]" 2
627 2 85 PRO QB 2 103 ASN H 4.000 . 5.300 3.626 3.626 3.626 . 0 0 "[ ]" 2
628 2 85 PRO QG 2 103 ASN H 4.000 . 5.300 4.792 4.792 4.792 . 0 0 "[ ]" 2
629 2 102 SER HA 2 103 ASN H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 2
630 2 102 SER QB 2 103 ASN H 3.000 . 4.300 2.952 2.952 2.952 . 0 0 "[ ]" 2
631 2 103 ASN H 2 103 ASN HA 3.000 . 3.300 2.365 2.365 2.365 . 0 0 "[ ]" 2
632 2 103 ASN H 2 103 ASN HB2 4.000 . 4.300 3.430 3.430 3.430 . 0 0 "[ ]" 2
633 2 103 ASN H 2 103 ASN HB3 4.000 . 4.300 4.111 4.111 4.111 . 0 0 "[ ]" 2
634 2 103 ASN H 2 104 MET H 3.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 2
635 2 85 PRO HA 2 104 MET H 3.000 . 3.300 2.558 2.558 2.558 . 0 0 "[ ]" 2
636 2 103 ASN HA 2 104 MET H 3.000 . 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 2
637 2 103 ASN HB2 2 104 MET H 4.000 . 4.300 4.057 4.057 4.057 . 0 0 "[ ]" 2
638 2 103 ASN HB3 2 104 MET H 4.000 . 4.300 4.374 4.374 4.374 0.074 1 0 "[ ]" 2
639 2 104 MET H 2 105 ILE H 3.000 . 3.300 2.694 2.694 2.694 . 0 0 "[ ]" 2
640 2 83 LEU HA 2 105 ILE H 4.000 . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 2
641 2 83 LEU HB2 2 105 ILE H 4.000 . 4.300 4.329 4.329 4.329 0.029 1 0 "[ ]" 2
642 2 83 LEU MD2 2 105 ILE H 4.000 . 5.300 2.870 2.870 2.870 . 0 0 "[ ]" 2
643 2 103 ASN HA 2 105 ILE H 4.000 . 4.300 3.026 3.026 3.026 . 0 0 "[ ]" 2
644 2 104 MET HA 2 105 ILE H 4.000 . 4.300 3.058 3.058 3.058 . 0 0 "[ ]" 2
645 2 104 MET QB 2 105 ILE H 4.000 . 5.300 3.680 3.680 3.680 . 0 0 "[ ]" 2
646 2 105 ILE H 2 105 ILE HB 3.000 . 3.300 2.925 2.925 2.925 . 0 0 "[ ]" 2
647 2 105 ILE H 2 105 ILE MG 4.000 . 5.300 3.953 3.953 3.953 . 0 0 "[ ]" 2
648 2 105 ILE H 2 105 ILE MD 4.000 . 5.300 4.434 4.434 4.434 . 0 0 "[ ]" 2
649 2 41 ALA HA 2 106 VAL H 4.000 . 4.300 3.448 3.448 3.448 . 0 0 "[ ]" 2
650 2 42 ASN QB 2 106 VAL H 3.000 . 4.300 2.819 2.819 2.819 . 0 0 "[ ]" 2
651 2 83 LEU MD2 2 106 VAL H 4.000 . 5.300 3.901 3.901 3.901 . 0 0 "[ ]" 2
652 2 105 ILE HA 2 106 VAL H 3.000 . 3.300 2.476 2.476 2.476 . 0 0 "[ ]" 2
653 2 105 ILE HB 2 106 VAL H 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 2
654 2 105 ILE MG 2 106 VAL H 2.500 . 3.800 1.782 1.782 1.782 0.018 1 0 "[ ]" 2
655 2 105 ILE MD 2 106 VAL H 4.000 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 2
656 2 106 VAL H 2 106 VAL HB 3.000 . 3.300 2.425 2.425 2.425 . 0 0 "[ ]" 2
657 2 106 VAL H 2 106 VAL MG1 3.000 . 4.300 3.702 3.702 3.702 . 0 0 "[ ]" 2
658 2 106 VAL H 2 106 VAL MG2 2.500 . 3.800 3.003 3.003 3.003 . 0 0 "[ ]" 2
659 2 82 ALA MB 2 107 ARG H 4.000 . 5.300 3.498 3.498 3.498 . 0 0 "[ ]" 2
660 2 83 LEU HA 2 107 ARG H 3.000 . 3.300 2.879 2.879 2.879 . 0 0 "[ ]" 2
661 2 83 LEU MD2 2 107 ARG H 4.000 . 5.300 3.620 3.620 3.620 . 0 0 "[ ]" 2
662 2 106 VAL HA 2 107 ARG H 2.500 . 2.800 2.312 2.312 2.312 . 0 0 "[ ]" 2
663 2 106 VAL MG1 2 107 ARG H 3.000 . 4.300 2.161 2.161 2.161 . 0 0 "[ ]" 2
664 2 106 VAL MG2 2 107 ARG H 4.000 . 5.300 3.617 3.617 3.617 . 0 0 "[ ]" 2
665 2 107 ARG H 2 107 ARG QB 3.000 . 4.300 2.725 2.725 2.725 . 0 0 "[ ]" 2
666 2 107 ARG H 2 108 SER H 2.500 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 2
667 2 4 THR MG 2 108 SER H 4.000 . 5.300 3.265 3.265 3.265 . 0 0 "[ ]" 2
668 2 82 ALA MB 2 108 SER H 4.000 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 2
669 2 106 VAL HA 2 108 SER H 4.000 . 4.300 3.806 3.806 3.806 . 0 0 "[ ]" 2
670 2 106 VAL MG1 2 108 SER H 2.500 . 3.800 1.937 1.937 1.937 . 0 0 "[ ]" 2
671 2 106 VAL MG2 2 108 SER H 4.000 . 5.300 4.169 4.169 4.169 . 0 0 "[ ]" 2
672 2 107 ARG HA 2 108 SER H 4.000 . 4.300 3.136 3.136 3.136 . 0 0 "[ ]" 2
673 2 107 ARG QB 2 108 SER H 3.000 . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 2
674 2 2 LEU HB2 2 109 CYS H 4.000 . 4.300 3.939 3.939 3.939 . 0 0 "[ ]" 2
675 2 3 ASP HA 2 109 CYS H 3.000 . 3.300 2.424 2.424 2.424 . 0 0 "[ ]" 2
676 2 4 THR MG 2 109 CYS H 4.000 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 2
677 2 17 VAL HB 2 109 CYS H 4.000 . 4.300 3.196 3.196 3.196 . 0 0 "[ ]" 2
678 2 17 VAL MG1 2 109 CYS H 4.000 . 5.300 3.947 3.947 3.947 . 0 0 "[ ]" 2
679 2 106 VAL MG1 2 109 CYS H 4.000 . 5.300 4.133 4.133 4.133 . 0 0 "[ ]" 2
680 2 108 SER HA 2 109 CYS H 3.000 . 3.300 2.201 2.201 2.201 . 0 0 "[ ]" 2
681 2 108 SER QB 2 109 CYS H 2.500 . 3.800 3.240 3.240 3.240 . 0 0 "[ ]" 2
682 2 109 CYS H 2 109 CYS HB3 4.000 . 4.300 3.637 3.637 3.637 . 0 0 "[ ]" 2
683 2 109 CYS H 2 109 CYS HB2 3.000 . 3.300 2.386 2.386 2.386 . 0 0 "[ ]" 2
684 2 79 VAL MG1 2 110 LYS H 4.000 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 2
685 2 79 VAL MG2 2 110 LYS H 4.000 . 5.300 3.420 3.420 3.420 . 0 0 "[ ]" 2
686 2 109 CYS HA 2 110 LYS H 2.500 . 2.800 2.796 2.796 2.796 . 0 0 "[ ]" 2
687 2 109 CYS HB3 2 110 LYS H 3.000 . 3.300 1.849 1.849 1.849 . 0 0 "[ ]" 2
688 2 109 CYS HB2 2 110 LYS H 4.000 . 4.300 3.125 3.125 3.125 . 0 0 "[ ]" 2
689 2 110 LYS HA 2 111 CYS H 3.000 . 3.300 2.986 2.986 2.986 . 0 0 "[ ]" 2
690 2 110 LYS QB 2 111 CYS H 2.500 . 3.800 2.005 2.005 2.005 . 0 0 "[ ]" 2
691 2 111 CYS H 2 111 CYS HB2 4.000 . 4.300 2.862 2.862 2.862 . 0 0 "[ ]" 2
692 2 111 CYS H 2 111 CYS HB3 4.000 . 4.300 3.864 3.864 3.864 . 0 0 "[ ]" 2
693 2 78 CYS HA 2 112 SER H 4.000 . 4.300 3.646 3.646 3.646 . 0 0 "[ ]" 2
694 2 79 VAL MG1 2 112 SER H 3.000 . 4.300 2.189 2.189 2.189 . 0 0 "[ ]" 2
695 2 79 VAL MG2 2 112 SER H 2.500 . 3.800 3.023 3.023 3.023 . 0 0 "[ ]" 2
696 2 111 CYS HA 2 112 SER H 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 2
697 2 111 CYS HB3 2 112 SER H 4.000 . 4.300 4.158 4.158 4.158 . 0 0 "[ ]" 2
698 2 2 LEU HA 2 2 LEU HB3 3.000 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 2
699 2 2 LEU HA 2 2 LEU HG 4.000 . 4.300 3.277 3.277 3.277 . 0 0 "[ ]" 2
700 2 2 LEU HA 2 2 LEU MD1 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 2
701 2 2 LEU HA 2 2 LEU MD2 2.500 . 3.800 1.821 1.821 1.821 . 0 0 "[ ]" 2
702 2 2 LEU HA 2 6 TYR HD2 3.000 . 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 2
703 2 2 LEU HA 2 16 CYS HA 4.000 . 4.300 3.813 3.813 3.813 . 0 0 "[ ]" 2
704 2 2 LEU HB2 2 2 LEU MD1 3.000 . 4.300 2.361 2.361 2.361 . 0 0 "[ ]" 2
705 2 2 LEU MD1 2 15 CYS QB 4.000 . 6.300 2.161 2.161 2.161 . 0 0 "[ ]" 2
706 2 2 LEU MD1 2 52 TRP HZ2 4.000 . 5.300 4.294 4.294 4.294 . 0 0 "[ ]" 2
707 2 2 LEU MD1 2 53 SER QB 3.000 . 5.300 2.866 2.866 2.866 . 0 0 "[ ]" 2
708 2 2 LEU MD1 2 109 CYS HB2 4.000 . 5.300 4.221 4.221 4.221 . 0 0 "[ ]" 2
709 2 2 LEU HB3 2 2 LEU MD2 3.000 . 4.300 2.464 2.464 2.464 . 0 0 "[ ]" 2
710 2 2 LEU MD2 2 52 TRP HZ2 2.500 . 3.800 2.537 2.537 2.537 . 0 0 "[ ]" 2
711 2 3 ASP HA 2 17 VAL MG1 3.000 . 4.300 3.111 3.111 3.111 . 0 0 "[ ]" 2
712 2 3 ASP HA 2 108 SER HA 3.000 . 3.300 1.896 1.896 1.896 . 0 0 "[ ]" 2
713 2 3 ASP HA 2 108 SER QB 3.000 . 4.300 3.242 3.242 3.242 . 0 0 "[ ]" 2
714 2 4 THR HA 2 4 THR HB 3.000 . 3.300 2.334 2.334 2.334 . 0 0 "[ ]" 2
715 2 4 THR HA 2 7 CYS QB 3.000 . 4.300 2.752 2.752 2.752 . 0 0 "[ ]" 2
716 2 4 THR HA 2 4 THR MG 2.500 . 3.800 2.547 2.547 2.547 . 0 0 "[ ]" 2
717 2 4 THR HA 2 17 VAL MG2 4.000 . 5.300 3.433 3.433 3.433 . 0 0 "[ ]" 2
718 2 4 THR HB 2 17 VAL MG2 4.000 . 5.300 3.624 3.624 3.624 . 0 0 "[ ]" 2
719 2 4 THR MG 2 17 VAL MG1 3.000 . 5.300 1.923 1.923 1.923 . 0 0 "[ ]" 2
720 2 4 THR MG 2 17 VAL HB 4.000 . 5.300 3.467 3.467 3.467 . 0 0 "[ ]" 2
721 2 4 THR MG 2 17 VAL MG2 3.000 . 5.300 1.930 1.930 1.930 . 0 0 "[ ]" 2
722 2 4 THR MG 2 106 VAL MG1 3.000 . 5.300 2.626 2.626 2.626 . 0 0 "[ ]" 2
723 2 4 THR MG 2 107 ARG QG 4.000 . 6.300 3.457 3.457 3.457 . 0 0 "[ ]" 2
724 2 6 TYR HA 2 6 TYR HB2 2.500 . 2.800 2.392 2.392 2.392 . 0 0 "[ ]" 2
725 2 6 TYR HA 2 6 TYR HB3 3.000 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 2
726 2 2 LEU MD2 2 6 TYR HD2 3.000 . 4.300 3.070 3.070 3.070 . 0 0 "[ ]" 2
727 2 6 TYR HA 2 6 TYR HD1 2.500 . 2.800 2.715 2.715 2.715 . 0 0 "[ ]" 2
728 2 6 TYR HD2 2 52 TRP HZ2 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 2
729 2 6 TYR HE2 2 52 TRP HH2 4.000 . 4.300 3.981 3.981 3.981 . 0 0 "[ ]" 2
730 2 2 LEU MD2 2 6 TYR HE2 3.000 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 2
731 2 6 TYR HE2 2 12 GLU QB 4.000 . 5.300 4.021 4.021 4.021 . 0 0 "[ ]" 2
732 2 6 TYR HE2 2 12 GLU QG 3.000 . 4.300 2.971 2.971 2.971 . 0 0 "[ ]" 2
733 2 6 TYR HE2 2 52 TRP HZ2 3.000 . 3.300 2.733 2.733 2.733 . 0 0 "[ ]" 2
734 2 7 CYS HA 2 7 CYS HB3 3.000 . 3.300 2.531 2.531 2.531 . 0 0 "[ ]" 2
735 2 7 CYS HA 2 16 CYS QB 4.000 . 5.300 4.122 4.122 4.122 . 0 0 "[ ]" 2
736 2 7 CYS QB 2 16 CYS QB 4.000 . 6.300 3.255 3.255 3.255 . 0 0 "[ ]" 2
737 2 7 CYS QB 2 17 VAL MG1 2.500 . 4.800 1.762 1.762 1.762 0.038 1 0 "[ ]" 2
738 2 7 CYS QB 2 17 VAL MG2 3.000 . 5.300 4.001 4.001 4.001 . 0 0 "[ ]" 2
739 2 7 CYS QB 2 18 ARG HA 4.000 . 5.300 3.444 3.444 3.444 . 0 0 "[ ]" 2
740 2 8 PHE HA 2 8 PHE HB3 2.500 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 2
741 2 8 PHE HB2 2 8 PHE HD1 3.000 . 3.300 3.292 3.292 3.292 . 0 0 "[ ]" 2
742 2 8 PHE HB3 2 8 PHE HD2 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 2
743 2 8 PHE HE1 2 17 VAL MG1 4.000 . 5.300 3.453 3.453 3.453 . 0 0 "[ ]" 2
744 2 8 PHE HE1 2 19 GLN HA 3.000 . 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 2
745 2 8 PHE HE1 2 19 GLN HB2 4.000 . 4.300 4.310 4.310 4.310 0.010 1 0 "[ ]" 2
746 2 9 SER QB 2 10 SER QB 4.000 . 6.300 3.129 3.129 3.129 . 0 0 "[ ]" 2
747 2 10 SER HA 2 10 SER QB 2.500 . 3.800 2.498 2.498 2.498 . 0 0 "[ ]" 2
748 2 11 THR HA 2 11 THR MG 2.500 . 3.800 1.958 1.958 1.958 . 0 0 "[ ]" 2
749 2 12 GLU QG 2 52 TRP HZ2 4.000 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 2
750 2 15 CYS HA 2 78 CYS QB 3.000 . 4.300 2.178 2.178 2.178 . 0 0 "[ ]" 2
751 2 15 CYS QB 2 48 CYS HA 4.000 . 5.300 3.326 3.326 3.326 . 0 0 "[ ]" 2
752 2 15 CYS QB 2 78 CYS HB2 3.000 . 4.300 1.834 1.834 1.834 . 0 0 "[ ]" 2
753 2 15 CYS QB 2 78 CYS HB3 4.000 . 5.300 3.454 3.454 3.454 . 0 0 "[ ]" 2
754 2 2 LEU MD2 2 16 CYS HA 3.000 . 4.300 3.341 3.341 3.341 . 0 0 "[ ]" 2
755 2 16 CYS HA 2 109 CYS QB 4.000 . 5.300 4.202 4.202 4.202 . 0 0 "[ ]" 2
756 2 17 VAL HA 2 44 CYS HA 2.500 . 2.800 2.027 2.027 2.027 . 0 0 "[ ]" 2
757 2 17 VAL HA 2 44 CYS HB3 4.000 . 4.300 3.352 3.352 3.352 . 0 0 "[ ]" 2
758 2 17 VAL HA 2 17 VAL MG2 2.500 . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 2
759 2 17 VAL MG2 2 42 ASN HA 4.000 . 5.300 3.816 3.816 3.816 . 0 0 "[ ]" 2
760 2 17 VAL MG2 2 42 ASN QB 2.500 . 4.800 2.440 2.440 2.440 . 0 0 "[ ]" 2
761 2 17 VAL MG2 2 43 PHE HD1 4.000 . 5.300 3.485 3.485 3.485 . 0 0 "[ ]" 2
762 2 17 VAL MG2 2 44 CYS HA 3.000 . 4.300 3.471 3.471 3.471 . 0 0 "[ ]" 2
763 2 17 VAL MG2 2 106 VAL HB 4.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 2
764 2 17 VAL MG1 2 108 SER HA 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 2
765 2 17 VAL MG2 2 108 SER HA 4.000 . 5.300 4.294 4.294 4.294 . 0 0 "[ ]" 2
766 2 19 GLN HA 2 42 ASN HA 4.000 . 4.300 2.896 2.896 2.896 . 0 0 "[ ]" 2
767 2 19 GLN HA 2 43 PHE HD1 4.000 . 4.300 4.243 4.243 4.243 . 0 0 "[ ]" 2
768 2 20 LEU HA 2 20 LEU HG 4.000 . 4.300 3.072 3.072 3.072 . 0 0 "[ ]" 2
769 2 20 LEU HA 2 20 LEU MD1 2.500 . 3.800 1.810 1.810 1.810 . 0 0 "[ ]" 2
770 2 20 LEU HA 2 43 PHE HD1 4.000 . 4.300 4.323 4.323 4.323 0.023 1 0 "[ ]" 2
771 2 20 LEU QB 2 43 PHE HE1 3.000 . 4.300 3.173 3.173 3.173 . 0 0 "[ ]" 2
772 2 20 LEU QB 2 43 PHE HD1 2.500 . 3.800 2.109 2.109 2.109 . 0 0 "[ ]" 2
773 2 20 LEU MD2 2 22 ILE MD 3.000 . 5.300 2.822 2.822 2.822 . 0 0 "[ ]" 2
774 2 20 LEU QB 2 20 LEU MD2 2.500 . 4.800 2.106 2.106 2.106 . 0 0 "[ ]" 2
775 2 20 LEU MD2 2 41 ALA MB 3.000 . 5.300 2.975 2.975 2.975 . 0 0 "[ ]" 2
776 2 20 LEU MD2 2 43 PHE HD2 3.000 . 4.300 2.767 2.767 2.767 . 0 0 "[ ]" 2
777 2 20 LEU MD1 2 43 PHE QB 3.000 . 5.300 3.825 3.825 3.825 . 0 0 "[ ]" 2
778 2 20 LEU MD1 2 43 PHE HD1 4.000 . 5.300 3.920 3.920 3.920 . 0 0 "[ ]" 2
779 2 20 LEU MD1 2 43 PHE HE1 4.000 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 2
780 2 21 TYR HA 2 21 TYR HB2 3.000 . 3.300 2.447 2.447 2.447 . 0 0 "[ ]" 2
781 2 21 TYR HA 2 21 TYR HD2 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2
782 2 21 TYR HA 2 40 HIS HA 2.500 . 2.800 2.262 2.262 2.262 . 0 0 "[ ]" 2
783 2 21 TYR HB2 2 21 TYR HD2 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 2
784 2 21 TYR HD2 2 40 HIS HA 3.000 . 3.300 3.330 3.330 3.330 0.030 1 0 "[ ]" 2
785 2 21 TYR HD2 2 40 HIS HD2 4.000 . 4.300 4.201 4.201 4.201 . 0 0 "[ ]" 2
786 2 21 TYR HD2 2 40 HIS HE1 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 2
787 2 21 TYR HB3 2 21 TYR HD1 3.000 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 2
788 2 21 TYR HD1 2 23 ASP QB 4.000 . 5.300 3.525 3.525 3.525 . 0 0 "[ ]" 2
789 2 21 TYR HE2 2 40 HIS HE1 4.000 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 2
790 2 21 TYR HE1 2 23 ASP HB3 3.000 . 3.300 3.348 3.348 3.348 0.048 1 0 "[ ]" 2
791 2 21 TYR HE1 2 23 ASP HB2 3.000 . 3.300 1.870 1.870 1.870 . 0 0 "[ ]" 2
792 2 21 TYR HE1 2 38 GLY QA 3.000 . 4.300 2.754 2.754 2.754 . 0 0 "[ ]" 2
793 2 22 ILE HA 2 22 ILE HG13 4.000 . 4.300 3.219 3.219 3.219 . 0 0 "[ ]" 2
794 2 22 ILE HA 2 22 ILE MG 3.000 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 2
795 2 22 ILE HA 2 22 ILE MD 4.000 . 5.300 3.723 3.723 3.723 . 0 0 "[ ]" 2
796 2 22 ILE HB 2 22 ILE HG13 3.000 . 3.300 2.408 2.408 2.408 . 0 0 "[ ]" 2
797 2 22 ILE HB 2 39 TYR HD1 4.000 . 4.300 3.354 3.354 3.354 . 0 0 "[ ]" 2
798 2 22 ILE MD 2 22 ILE MG 2.500 . 4.800 1.835 1.835 1.835 . 0 0 "[ ]" 2
799 2 22 ILE MG 2 27 ASP HB3 2.500 . 3.800 2.377 2.377 2.377 . 0 0 "[ ]" 2
800 2 22 ILE MG 2 27 ASP HB2 2.500 . 3.800 1.859 1.859 1.859 . 0 0 "[ ]" 2
801 2 22 ILE MG 2 28 LEU HG 3.000 . 4.300 1.958 1.958 1.958 . 0 0 "[ ]" 2
802 2 22 ILE MG 2 28 LEU MD1 3.000 . 5.300 2.172 2.172 2.172 . 0 0 "[ ]" 2
803 2 22 ILE MG 2 28 LEU MD2 3.000 . 5.300 2.712 2.712 2.712 . 0 0 "[ ]" 2
804 2 22 ILE MG 2 39 TYR HD1 4.000 . 5.300 4.313 4.313 4.313 . 0 0 "[ ]" 2
805 2 22 ILE MG 2 41 ALA MB 4.000 . 6.300 3.705 3.705 3.705 . 0 0 "[ ]" 2
806 2 22 ILE MD 2 28 LEU HG 4.000 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 2
807 2 22 ILE MD 2 41 ALA MB 2.500 . 4.800 2.082 2.082 2.082 . 0 0 "[ ]" 2
808 2 23 ASP HA 2 38 GLY QA 2.500 . 3.800 1.883 1.883 1.883 . 0 0 "[ ]" 2
809 2 21 TYR HE1 2 23 ASP HA 3.000 . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 2
810 2 24 PHE HA 2 30 TRP HB2 4.000 . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 2
811 2 24 PHE HB2 2 37 LYS HA 4.000 . 4.300 3.326 3.326 3.326 . 0 0 "[ ]" 2
812 2 24 PHE HD1 2 33 ILE MD 3.000 . 4.300 3.094 3.094 3.094 . 0 0 "[ ]" 2
813 2 24 PHE HD1 2 33 ILE MG 3.000 . 4.300 3.444 3.444 3.444 . 0 0 "[ ]" 2
814 2 24 PHE HD2 2 33 ILE MG 4.000 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 2
815 2 24 PHE HD1 2 104 MET ME 4.000 . 5.300 3.618 3.618 3.618 . 0 0 "[ ]" 2
816 2 24 PHE HD2 2 37 LYS HA 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 2
817 2 24 PHE HD2 2 38 GLY QA 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 2
818 2 24 PHE HE1 2 28 LEU MD1 4.000 . 5.300 3.938 3.938 3.938 . 0 0 "[ ]" 2
819 2 24 PHE HE1 2 33 ILE MG 4.000 . 5.300 3.348 3.348 3.348 . 0 0 "[ ]" 2
820 2 24 PHE HE2 2 33 ILE MG 3.000 . 4.300 3.503 3.503 3.503 . 0 0 "[ ]" 2
821 2 24 PHE HE1 2 33 ILE MD 3.000 . 4.300 2.129 2.129 2.129 . 0 0 "[ ]" 2
822 2 24 PHE HE2 2 33 ILE MD 4.000 . 5.300 4.200 4.200 4.200 . 0 0 "[ ]" 2
823 2 24 PHE HE2 2 36 PRO QG 3.000 . 4.300 2.442 2.442 2.442 . 0 0 "[ ]" 2
824 2 24 PHE HE2 2 86 LEU MD2 3.000 . 4.300 3.469 3.469 3.469 . 0 0 "[ ]" 2
825 2 24 PHE HE2 2 86 LEU MD1 3.000 . 4.300 2.287 2.287 2.287 . 0 0 "[ ]" 2
826 2 24 PHE HE2 2 88 ILE MG 4.000 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 2
827 2 24 PHE HE1 2 104 MET ME 2.500 . 3.800 1.899 1.899 1.899 . 0 0 "[ ]" 2
828 2 24 PHE HZ 2 33 ILE MG 4.000 . 5.300 3.358 3.358 3.358 . 0 0 "[ ]" 2
829 2 24 PHE HZ 2 33 ILE MD 4.000 . 5.300 2.899 2.899 2.899 . 0 0 "[ ]" 2
830 2 24 PHE HZ 2 39 TYR HD1 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 2
831 2 24 PHE HZ 2 86 LEU MD2 2.500 . 3.800 1.715 1.715 1.715 0.085 1 0 "[ ]" 2
832 2 24 PHE HZ 2 86 LEU MD1 3.000 . 4.300 2.167 2.167 2.167 . 0 0 "[ ]" 2
833 2 24 PHE HZ 2 88 ILE MG 3.000 . 4.300 2.709 2.709 2.709 . 0 0 "[ ]" 2
834 2 24 PHE HZ 2 101 LEU MD1 4.000 . 5.300 3.100 3.100 3.100 . 0 0 "[ ]" 2
835 2 24 PHE HZ 2 104 MET ME 2.500 . 3.800 2.208 2.208 2.208 . 0 0 "[ ]" 2
836 2 28 LEU HA 2 28 LEU HB3 2.500 . 2.800 2.439 2.439 2.439 . 0 0 "[ ]" 2
837 2 28 LEU HA 2 28 LEU MD2 2.500 . 3.800 1.927 1.927 1.927 . 0 0 "[ ]" 2
838 2 24 PHE HA 2 28 LEU MD1 4.000 . 5.300 3.387 3.387 3.387 . 0 0 "[ ]" 2
839 2 28 LEU MD1 2 104 MET ME 3.000 . 5.300 3.193 3.193 3.193 . 0 0 "[ ]" 2
840 2 24 PHE HD1 2 30 TRP HE3 3.000 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 2
841 2 28 LEU MD1 2 30 TRP HE3 4.000 . 5.300 3.997 3.997 3.997 . 0 0 "[ ]" 2
842 2 30 TRP HB3 2 30 TRP HE3 3.000 . 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 2
843 2 30 TRP HB2 2 30 TRP HE3 3.000 . 3.300 3.211 3.211 3.211 . 0 0 "[ ]" 2
844 2 30 TRP HE3 2 32 TRP HZ2 4.000 . 4.300 3.502 3.502 3.502 . 0 0 "[ ]" 2
845 2 30 TRP HE3 2 33 ILE MD 2.500 . 3.800 1.743 1.743 1.743 0.057 1 0 "[ ]" 2
846 2 30 TRP HE3 2 33 ILE HG13 4.000 . 4.300 3.612 3.612 3.612 . 0 0 "[ ]" 2
847 2 30 TRP HE3 2 33 ILE HG12 4.000 . 4.300 4.354 4.354 4.354 0.054 1 0 "[ ]" 2
848 2 28 LEU MD1 2 30 TRP HH2 4.000 . 5.300 4.064 4.064 4.064 . 0 0 "[ ]" 2
849 2 28 LEU MD1 2 30 TRP HZ2 4.000 . 5.300 3.290 3.290 3.290 . 0 0 "[ ]" 2
850 2 28 LEU MD1 2 30 TRP HZ3 4.000 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 2
851 2 30 TRP HZ3 2 32 TRP HH2 4.000 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 2
852 2 30 TRP HZ3 2 32 TRP HZ2 3.000 . 3.300 2.376 2.376 2.376 . 0 0 "[ ]" 2
853 2 30 TRP HZ3 2 33 ILE MD 2.500 . 3.800 2.178 2.178 2.178 . 0 0 "[ ]" 2
854 2 30 TRP HZ3 2 101 LEU MD1 3.000 . 4.300 2.304 2.304 2.304 . 0 0 "[ ]" 2
855 2 28 LEU HB3 2 30 TRP HD1 3.000 . 3.300 2.615 2.615 2.615 . 0 0 "[ ]" 2
856 2 28 LEU HB2 2 30 TRP HD1 4.000 . 4.300 3.445 3.445 3.445 . 0 0 "[ ]" 2
857 2 28 LEU MD1 2 30 TRP HD1 4.000 . 5.300 3.931 3.931 3.931 . 0 0 "[ ]" 2
858 2 30 TRP HA 2 30 TRP HD1 2.500 . 2.800 2.006 2.006 2.006 . 0 0 "[ ]" 2
859 2 32 TRP HA 2 32 TRP HE3 4.000 . 4.300 4.298 4.298 4.298 . 0 0 "[ ]" 2
860 2 32 TRP HB3 2 32 TRP HE3 4.000 . 4.300 4.076 4.076 4.076 . 0 0 "[ ]" 2
861 2 32 TRP HB2 2 32 TRP HE3 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 2
862 2 32 TRP HE3 2 33 ILE HA 4.000 . 4.300 4.341 4.341 4.341 0.041 1 0 "[ ]" 2
863 2 32 TRP HE3 2 33 ILE QG 3.000 . 4.300 3.190 3.190 3.190 . 0 0 "[ ]" 2
864 2 32 TRP HE3 2 33 ILE MD 4.000 . 5.300 4.461 4.461 4.461 . 0 0 "[ ]" 2
865 2 32 TRP HE3 2 88 ILE MD 4.000 . 5.300 4.130 4.130 4.130 . 0 0 "[ ]" 2
866 2 32 TRP HE3 2 90 TYR HB3 4.000 . 4.300 3.365 3.365 3.365 . 0 0 "[ ]" 2
867 2 32 TRP HE3 2 90 TYR HB2 4.000 . 4.300 3.317 3.317 3.317 . 0 0 "[ ]" 2
868 2 32 TRP HZ3 2 88 ILE MD 3.000 . 4.300 2.716 2.716 2.716 . 0 0 "[ ]" 2
869 2 32 TRP HZ3 2 90 TYR HD1 4.000 . 4.300 3.591 3.591 3.591 . 0 0 "[ ]" 2
870 2 32 TRP HZ3 2 101 LEU MD2 4.000 . 5.300 3.271 3.271 3.271 . 0 0 "[ ]" 2
871 2 32 TRP HZ2 2 88 ILE MD 4.000 . 5.300 3.667 3.667 3.667 . 0 0 "[ ]" 2
872 2 30 TRP HA 2 32 TRP HD1 3.000 . 3.300 3.331 3.331 3.331 0.031 1 0 "[ ]" 2
873 2 30 TRP HB3 2 32 TRP HD1 4.000 . 4.300 2.988 2.988 2.988 . 0 0 "[ ]" 2
874 2 32 TRP HA 2 32 TRP HD1 4.000 . 4.300 4.328 4.328 4.328 0.028 1 0 "[ ]" 2
875 2 32 TRP HB3 2 32 TRP HD1 3.000 . 3.300 2.737 2.737 2.737 . 0 0 "[ ]" 2
876 2 32 TRP HD1 2 33 ILE MD 4.000 . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 2
877 2 33 ILE HA 2 33 ILE HG12 3.000 . 3.300 2.404 2.404 2.404 . 0 0 "[ ]" 2
878 2 33 ILE HA 2 33 ILE HG13 3.000 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 2
879 2 33 ILE HA 2 33 ILE MG 3.000 . 4.300 2.601 2.601 2.601 . 0 0 "[ ]" 2
880 2 33 ILE HA 2 33 ILE MD 4.000 . 5.300 3.736 3.736 3.736 . 0 0 "[ ]" 2
881 2 33 ILE HA 2 90 TYR HA 4.000 . 4.300 2.892 2.892 2.892 . 0 0 "[ ]" 2
882 2 33 ILE HA 2 90 TYR HB3 3.000 . 3.300 1.926 1.926 1.926 . 0 0 "[ ]" 2
883 2 33 ILE HA 2 90 TYR HB2 4.000 . 4.300 3.348 3.348 3.348 . 0 0 "[ ]" 2
884 2 33 ILE HB 2 33 ILE HG13 3.000 . 3.300 2.504 2.504 2.504 . 0 0 "[ ]" 2
885 2 33 ILE HB 2 33 ILE MD 3.000 . 4.300 2.354 2.354 2.354 . 0 0 "[ ]" 2
886 2 33 ILE MD 2 33 ILE MG 2.500 . 4.800 1.762 1.762 1.762 0.038 1 0 "[ ]" 2
887 2 33 ILE MG 2 88 ILE QG 3.000 . 5.300 3.594 3.594 3.594 . 0 0 "[ ]" 2
888 2 33 ILE MG 2 88 ILE MG 3.000 . 5.300 3.142 3.142 3.142 . 0 0 "[ ]" 2
889 2 32 TRP HH2 2 33 ILE MD 3.000 . 4.300 2.867 2.867 2.867 . 0 0 "[ ]" 2
890 2 32 TRP HZ2 2 33 ILE MD 2.500 . 3.800 2.106 2.106 2.106 . 0 0 "[ ]" 2
891 2 33 ILE MD 2 88 ILE MG 3.000 . 5.300 2.547 2.547 2.547 . 0 0 "[ ]" 2
892 2 33 ILE MD 2 88 ILE MD 2.500 . 4.800 1.774 1.774 1.774 0.026 1 0 "[ ]" 2
893 2 33 ILE MD 2 101 LEU MD1 3.000 . 5.300 2.093 2.093 2.093 . 0 0 "[ ]" 2
894 2 33 ILE MD 2 101 LEU MD2 3.000 . 5.300 3.268 3.268 3.268 . 0 0 "[ ]" 2
895 2 33 ILE MD 2 104 MET ME 3.000 . 5.300 2.832 2.832 2.832 . 0 0 "[ ]" 2
896 2 34 HIS HD2 2 89 VAL HB 3.000 . 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 2
897 2 34 HIS HD2 2 91 TYR HE1 4.000 . 4.300 3.899 3.899 3.899 . 0 0 "[ ]" 2
898 2 34 HIS QB 2 89 VAL HB 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 2
899 2 34 HIS QB 2 90 TYR HA 3.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 2
900 2 34 HIS HA 2 90 TYR HA 4.500 . 4.800 4.740 4.740 4.740 . 0 0 "[ ]" 2
901 2 35 GLU HA 2 36 PRO HA 2.500 . 2.800 2.205 2.205 2.205 . 0 0 "[ ]" 2
902 2 35 GLU HB2 2 89 VAL HB 3.000 . 3.300 2.393 2.393 2.393 . 0 0 "[ ]" 2
903 2 35 GLU HB3 2 36 PRO HA 3.000 . 3.300 2.195 2.195 2.195 . 0 0 "[ ]" 2
904 2 21 TYR HE2 2 39 TYR HA 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2
905 2 39 TYR HA 2 39 TYR HD2 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 2
906 2 39 TYR HA 2 39 TYR HD1 4.000 . 4.300 3.983 3.983 3.983 . 0 0 "[ ]" 2
907 2 39 TYR QB 2 39 TYR HD1 3.000 . 4.300 2.617 2.617 2.617 . 0 0 "[ ]" 2
908 2 39 TYR QB 2 39 TYR HD2 3.000 . 4.300 2.294 2.294 2.294 . 0 0 "[ ]" 2
909 2 39 TYR HD2 2 41 ALA HA 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2
910 2 39 TYR HD1 2 41 ALA MB 4.000 . 5.300 4.162 4.162 4.162 . 0 0 "[ ]" 2
911 2 39 TYR HD2 2 41 ALA MB 4.000 . 5.300 4.095 4.095 4.095 . 0 0 "[ ]" 2
912 2 39 TYR HD2 2 86 LEU MD1 4.000 . 5.300 3.362 3.362 3.362 . 0 0 "[ ]" 2
913 2 39 TYR HD2 2 105 ILE HA 4.000 . 4.300 3.959 3.959 3.959 . 0 0 "[ ]" 2
914 2 39 TYR HD2 2 105 ILE HG13 4.000 . 4.300 3.378 3.378 3.378 . 0 0 "[ ]" 2
915 2 39 TYR HD2 2 105 ILE HG12 3.000 . 3.300 1.899 1.899 1.899 . 0 0 "[ ]" 2
916 2 39 TYR HD2 2 105 ILE MG 4.000 . 5.300 3.191 3.191 3.191 . 0 0 "[ ]" 2
917 2 39 TYR HD2 2 105 ILE MD 3.000 . 4.300 2.436 2.436 2.436 . 0 0 "[ ]" 2
918 2 39 TYR HE2 2 41 ALA HA 2.500 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 2
919 2 39 TYR HE1 2 41 ALA MB 3.000 . 4.300 3.041 3.041 3.041 . 0 0 "[ ]" 2
920 2 41 ALA HA 2 105 ILE HA 2.500 . 2.800 2.517 2.517 2.517 . 0 0 "[ ]" 2
921 2 20 LEU QB 2 42 ASN HA 2.500 . 3.800 2.365 2.365 2.365 . 0 0 "[ ]" 2
922 2 42 ASN HB3 2 106 VAL HB 2.500 . 2.800 2.319 2.319 2.319 . 0 0 "[ ]" 2
923 2 42 ASN HB2 2 106 VAL HB 2.500 . 2.800 2.029 2.029 2.029 . 0 0 "[ ]" 2
924 2 17 VAL MG2 2 43 PHE HA 3.000 . 4.300 3.385 3.385 3.385 . 0 0 "[ ]" 2
925 2 43 PHE HA 2 106 VAL MG1 4.000 . 5.300 3.228 3.228 3.228 . 0 0 "[ ]" 2
926 2 43 PHE HA 2 106 VAL MG2 3.000 . 4.300 2.402 2.402 2.402 . 0 0 "[ ]" 2
927 2 18 ARG QG 2 43 PHE HE1 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 2
928 2 43 PHE HE2 2 45 LEU HB2 4.000 . 4.300 4.359 4.359 4.359 0.059 1 0 "[ ]" 2
929 2 43 PHE HE2 2 45 LEU HG 2.500 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 2
930 2 43 PHE HD2 2 45 LEU HG 4.000 . 4.300 3.214 3.214 3.214 . 0 0 "[ ]" 2
931 2 43 PHE HE2 2 45 LEU MD1 2.500 . 3.800 1.799 1.799 1.799 0.001 1 0 "[ ]" 2
932 2 43 PHE HD2 2 45 LEU MD2 2.500 . 3.800 2.948 2.948 2.948 . 0 0 "[ ]" 2
933 2 43 PHE HE2 2 45 LEU MD2 2.500 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 2
934 2 43 PHE HZ 2 45 LEU MD1 3.000 . 4.300 1.841 1.841 1.841 . 0 0 "[ ]" 2
935 2 43 PHE HZ 2 45 LEU MD2 4.000 . 5.300 4.135 4.135 4.135 . 0 0 "[ ]" 2
936 2 44 CYS QB 2 79 VAL HA 3.000 . 4.300 2.932 2.932 2.932 . 0 0 "[ ]" 2
937 2 44 CYS HB2 2 109 CYS HB3 4.000 . 4.300 3.713 3.713 3.713 . 0 0 "[ ]" 2
938 2 44 CYS HB3 2 109 CYS HB3 3.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 2
939 2 45 LEU HA 2 45 LEU HB3 3.000 . 3.300 2.572 2.572 2.572 . 0 0 "[ ]" 2
940 2 45 LEU HA 2 45 LEU MD1 4.000 . 5.300 3.692 3.692 3.692 . 0 0 "[ ]" 2
941 2 45 LEU HA 2 45 LEU MD2 2.500 . 3.800 1.801 1.801 1.801 . 0 0 "[ ]" 2
942 2 45 LEU HA 2 45 LEU HG 3.000 . 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 2
943 2 45 LEU HA 2 78 CYS HB3 4.000 . 4.300 4.192 4.192 4.192 . 0 0 "[ ]" 2
944 2 18 ARG QG 2 45 LEU MD1 4.000 . 6.300 4.329 4.329 4.329 . 0 0 "[ ]" 2
945 2 45 LEU HB2 2 45 LEU MD2 3.000 . 4.300 3.179 3.179 3.179 . 0 0 "[ ]" 2
946 2 45 LEU HB3 2 45 LEU MD2 3.000 . 4.300 2.368 2.368 2.368 . 0 0 "[ ]" 2
947 2 46 GLY QA 2 47 PRO QD 2.500 . 4.800 1.820 1.820 1.820 . 0 0 "[ ]" 2
948 2 48 CYS HA 2 49 PRO QD 2.500 . 3.800 1.946 1.946 1.946 . 0 0 "[ ]" 2
949 2 48 CYS QB 2 63 ALA MB 4.000 . 6.300 4.346 4.346 4.346 . 0 0 "[ ]" 2
950 2 48 CYS HB3 2 76 PRO QG 4.000 . 5.300 4.318 4.318 4.318 . 0 0 "[ ]" 2
951 2 48 CYS HB2 2 76 PRO QG 4.000 . 5.300 4.032 4.032 4.032 . 0 0 "[ ]" 2
952 2 48 CYS QB 2 76 PRO QB 4.000 . 6.300 4.816 4.816 4.816 . 0 0 "[ ]" 2
953 2 50 TYR HA 2 63 ALA MB 2.500 . 3.800 2.126 2.126 2.126 . 0 0 "[ ]" 2
954 2 50 TYR HA 2 50 TYR HD1 3.000 . 3.300 2.898 2.898 2.898 . 0 0 "[ ]" 2
955 2 50 TYR QB 2 50 TYR HD1 2.500 . 3.800 2.603 2.603 2.603 . 0 0 "[ ]" 2
956 2 50 TYR QB 2 50 TYR HD2 2.500 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 2
957 2 50 TYR HD1 2 63 ALA MB 2.500 . 3.800 2.178 2.178 2.178 . 0 0 "[ ]" 2
958 2 50 TYR HD1 2 64 LEU HA 4.000 . 4.300 3.004 3.004 3.004 . 0 0 "[ ]" 2
959 2 50 TYR HD1 2 64 LEU MD1 4.000 . 5.300 3.427 3.427 3.427 . 0 0 "[ ]" 2
960 2 50 TYR HD1 2 64 LEU MD2 3.000 . 4.300 2.644 2.644 2.644 . 0 0 "[ ]" 2
961 2 50 TYR HE1 2 64 LEU HG 3.000 . 3.300 3.204 3.204 3.204 . 0 0 "[ ]" 2
962 2 50 TYR HE1 2 64 LEU MD1 4.000 . 5.300 4.501 4.501 4.501 . 0 0 "[ ]" 2
963 2 50 TYR HE1 2 64 LEU MD2 3.000 . 4.300 2.199 2.199 2.199 . 0 0 "[ ]" 2
964 2 50 TYR HE1 2 67 GLN HB2 3.000 . 3.300 1.852 1.852 1.852 . 0 0 "[ ]" 2
965 2 51 ILE HA 2 51 ILE HB 3.000 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 2
966 2 51 ILE HA 2 51 ILE MG 3.000 . 4.300 2.315 2.315 2.315 . 0 0 "[ ]" 2
967 2 51 ILE HA 2 54 LEU MD1 2.500 . 3.800 2.792 2.792 2.792 . 0 0 "[ ]" 2
968 2 51 ILE HB 2 51 ILE HG13 3.000 . 3.300 2.673 2.673 2.673 . 0 0 "[ ]" 2
969 2 51 ILE HB 2 51 ILE MD 3.000 . 4.300 2.210 2.210 2.210 . 0 0 "[ ]" 2
970 2 51 ILE MD 2 51 ILE MG 3.000 . 5.300 2.280 2.280 2.280 . 0 0 "[ ]" 2
971 2 51 ILE MD 2 52 TRP HE3 3.000 . 4.300 3.370 3.370 3.370 . 0 0 "[ ]" 2
972 2 51 ILE MD 2 52 TRP HZ3 4.000 . 5.300 3.558 3.558 3.558 . 0 0 "[ ]" 2
973 2 50 TYR HD2 2 51 ILE MG 3.000 . 4.300 3.389 3.389 3.389 . 0 0 "[ ]" 2
974 2 51 ILE HG13 2 51 ILE MG 3.000 . 4.300 3.132 3.132 3.132 . 0 0 "[ ]" 2
975 2 51 ILE HG12 2 51 ILE MG 3.000 . 4.300 2.174 2.174 2.174 . 0 0 "[ ]" 2
976 2 52 TRP HA 2 52 TRP HE3 3.000 . 3.300 2.100 2.100 2.100 . 0 0 "[ ]" 2
977 2 52 TRP HA 2 52 TRP HD1 4.000 . 4.300 4.316 4.316 4.316 0.016 1 0 "[ ]" 2
978 2 48 CYS HA 2 52 TRP HD1 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 2
979 2 52 TRP QB 2 52 TRP HD1 3.000 . 4.300 2.477 2.477 2.477 . 0 0 "[ ]" 2
980 2 15 CYS HB3 2 52 TRP HD1 2.500 . 2.800 1.845 1.845 1.845 . 0 0 "[ ]" 2
981 2 15 CYS HB2 2 52 TRP HD1 3.000 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 2
982 2 2 LEU MD1 2 52 TRP HD1 2.500 . 3.800 1.943 1.943 1.943 . 0 0 "[ ]" 2
983 2 2 LEU MD2 2 52 TRP HD1 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 2
984 2 54 LEU HA 2 54 LEU MD2 2.500 . 3.800 2.438 2.438 2.438 . 0 0 "[ ]" 2
985 2 54 LEU HA 2 111 CYS HB2 3.000 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 2
986 2 54 LEU HB2 2 54 LEU MD1 3.000 . 4.300 2.075 2.075 2.075 . 0 0 "[ ]" 2
987 2 54 LEU HB3 2 54 LEU MD1 3.000 . 4.300 2.581 2.581 2.581 . 0 0 "[ ]" 2
988 2 54 LEU MD1 2 60 LYS QB 3.000 . 5.300 1.657 1.657 1.657 0.143 1 0 "[ ]" 2
989 2 54 LEU MD1 2 63 ALA MB 3.000 . 5.300 3.484 3.484 3.484 . 0 0 "[ ]" 2
990 2 54 LEU HB3 2 54 LEU MD2 3.000 . 4.300 2.029 2.029 2.029 . 0 0 "[ ]" 2
991 2 54 LEU MD2 2 60 LYS QB 4.000 . 6.300 2.857 2.857 2.857 . 0 0 "[ ]" 2
992 2 54 LEU MD2 2 63 ALA MB 3.000 . 5.300 2.465 2.465 2.465 . 0 0 "[ ]" 2
993 2 54 LEU MD2 2 111 CYS HB2 4.000 . 5.300 3.955 3.955 3.955 . 0 0 "[ ]" 2
994 2 56 THR HA 2 56 THR HB 2.500 . 2.800 2.326 2.326 2.326 . 0 0 "[ ]" 2
995 2 56 THR HA 2 56 THR MG 2.500 . 3.800 2.594 2.594 2.594 . 0 0 "[ ]" 2
996 2 56 THR HB 2 57 GLN QB 4.000 . 5.300 4.391 4.391 4.391 . 0 0 "[ ]" 2
997 2 56 THR MG 2 112 SER HB2 4.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 2
998 2 57 GLN HA 2 60 LYS QB 4.000 . 5.300 4.005 4.005 4.005 . 0 0 "[ ]" 2
999 2 58 TYR HA 2 58 TYR HD1 3.000 . 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 2
1000 2 58 TYR HD1 2 62 LEU QB 4.000 . 4.300 3.312 3.312 3.312 . 0 0 "[ ]" 2
1001 2 58 TYR HE2 2 62 LEU MD2 3.000 . 4.300 2.616 2.616 2.616 . 0 0 "[ ]" 2
1002 2 58 TYR HE1 2 62 LEU MD2 3.000 . 4.300 3.457 3.457 3.457 . 0 0 "[ ]" 2
1003 2 58 TYR HE1 2 62 LEU MD1 3.000 . 4.300 2.798 2.798 2.798 . 0 0 "[ ]" 2
1004 2 58 TYR HE2 2 76 PRO HA 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 2
1005 2 59 SER HA 2 76 PRO QG 4.000 . 5.300 4.488 4.488 4.488 . 0 0 "[ ]" 2
1006 2 59 SER QB 2 76 PRO QG 4.000 . 6.300 4.624 4.624 4.624 . 0 0 "[ ]" 2
1007 2 59 SER QB 2 112 SER HA 4.000 . 5.300 4.624 4.624 4.624 . 0 0 "[ ]" 2
1008 2 54 LEU MD1 2 60 LYS HA 3.000 . 4.300 1.991 1.991 1.991 . 0 0 "[ ]" 2
1009 2 60 LYS HA 2 63 ALA MB 2.500 . 3.800 2.301 2.301 2.301 . 0 0 "[ ]" 2
1010 2 61 VAL HA 2 61 VAL MG2 3.000 . 4.300 2.273 2.273 2.273 . 0 0 "[ ]" 2
1011 2 61 VAL HA 2 61 VAL MG1 3.000 . 4.300 2.515 2.515 2.515 . 0 0 "[ ]" 2
1012 2 61 VAL HA 2 64 LEU MD1 4.000 . 5.300 3.000 3.000 3.000 . 0 0 "[ ]" 2
1013 2 58 TYR HA 2 61 VAL HB 3.000 . 3.300 2.420 2.420 2.420 . 0 0 "[ ]" 2
1014 2 58 TYR HA 2 61 VAL MG2 3.000 . 4.300 3.359 3.359 3.359 . 0 0 "[ ]" 2
1015 2 62 LEU HA 2 65 TYR HB2 3.000 . 3.300 2.333 2.333 2.333 . 0 0 "[ ]" 2
1016 2 62 LEU HA 2 65 TYR HD2 4.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 2
1017 2 62 LEU HG 2 75 ALA HA 3.000 . 3.300 2.721 2.721 2.721 . 0 0 "[ ]" 2
1018 2 62 LEU HA 2 62 LEU MD1 2.500 . 3.800 2.402 2.402 2.402 . 0 0 "[ ]" 2
1019 2 62 LEU MD1 2 65 TYR HD2 3.000 . 4.300 2.288 2.288 2.288 . 0 0 "[ ]" 2
1020 2 62 LEU MD1 2 65 TYR HE2 4.000 . 5.300 3.672 3.672 3.672 . 0 0 "[ ]" 2
1021 2 62 LEU QB 2 62 LEU MD2 3.000 . 4.300 2.015 2.015 2.015 . 0 0 "[ ]" 2
1022 2 62 LEU MD2 2 76 PRO HA 3.000 . 4.300 2.011 2.011 2.011 . 0 0 "[ ]" 2
1023 2 62 LEU MD2 2 76 PRO QG 4.000 . 6.300 3.160 3.160 3.160 . 0 0 "[ ]" 2
1024 2 63 ALA HA 2 66 ASN HB3 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 2
1025 2 50 TYR QB 2 63 ALA MB 4.000 . 6.300 3.130 3.130 3.130 . 0 0 "[ ]" 2
1026 2 63 ALA MB 2 76 PRO QG 3.000 . 5.300 2.942 2.942 2.942 . 0 0 "[ ]" 2
1027 2 64 LEU HA 2 64 LEU MD2 2.500 . 3.800 2.288 2.288 2.288 . 0 0 "[ ]" 2
1028 2 64 LEU HA 2 64 LEU HB3 2.500 . 2.800 2.515 2.515 2.515 . 0 0 "[ ]" 2
1029 2 64 LEU HA 2 67 GLN HB3 3.000 . 3.300 3.353 3.353 3.353 0.053 1 0 "[ ]" 2
1030 2 64 LEU HA 2 67 GLN HB2 3.000 . 3.300 2.027 2.027 2.027 . 0 0 "[ ]" 2
1031 2 64 LEU HA 2 68 HIS HE1 4.000 . 4.300 4.029 4.029 4.029 . 0 0 "[ ]" 2
1032 2 64 LEU HB3 2 64 LEU MD2 3.000 . 4.300 2.204 2.204 2.204 . 0 0 "[ ]" 2
1033 2 64 LEU HA 2 64 LEU MD1 4.000 . 5.300 3.833 3.833 3.833 . 0 0 "[ ]" 2
1034 2 64 LEU HB2 2 64 LEU MD1 2.500 . 3.800 1.996 1.996 1.996 . 0 0 "[ ]" 2
1035 2 64 LEU HB3 2 64 LEU MD1 2.500 . 3.800 2.694 2.694 2.694 . 0 0 "[ ]" 2
1036 2 65 TYR HA 2 68 HIS HB2 4.000 . 4.300 3.118 3.118 3.118 . 0 0 "[ ]" 2
1037 2 65 TYR HA 2 65 TYR HD1 4.000 . 4.300 2.845 2.845 2.845 . 0 0 "[ ]" 2
1038 2 65 TYR HB3 2 65 TYR HD2 3.000 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 2
1039 2 65 TYR HB2 2 65 TYR HD1 3.000 . 3.300 2.493 2.493 2.493 . 0 0 "[ ]" 2
1040 2 65 TYR HD2 2 66 ASN HA 4.000 . 4.300 3.464 3.464 3.464 . 0 0 "[ ]" 2
1041 2 65 TYR HD2 2 72 ALA MB 4.000 . 5.300 3.877 3.877 3.877 . 0 0 "[ ]" 2
1042 2 65 TYR HD2 2 75 ALA HA 4.000 . 4.300 4.333 4.333 4.333 0.033 1 0 "[ ]" 2
1043 2 65 TYR HE2 2 72 ALA MB 2.500 . 3.800 3.027 3.027 3.027 . 0 0 "[ ]" 2
1044 2 65 TYR HE2 2 74 ALA MB 3.000 . 4.300 2.165 2.165 2.165 . 0 0 "[ ]" 2
1045 2 66 ASN HA 2 72 ALA MB 4.000 . 5.300 2.736 2.736 2.736 . 0 0 "[ ]" 2
1046 2 68 HIS HA 2 68 HIS HD2 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 2
1047 2 68 HIS HB3 2 68 HIS HD2 2.500 . 2.800 2.831 2.831 2.831 0.031 1 0 "[ ]" 2
1048 2 68 HIS HB2 2 68 HIS HD2 4.000 . 4.300 3.916 3.916 3.916 . 0 0 "[ ]" 2
1049 2 64 LEU MD2 2 68 HIS HE1 2.500 . 3.800 1.811 1.811 1.811 . 0 0 "[ ]" 2
1050 2 64 LEU MD1 2 68 HIS HE1 3.000 . 4.300 3.382 3.382 3.382 . 0 0 "[ ]" 2
1051 2 69 ASN HA 2 69 ASN HB3 3.000 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 2
1052 2 69 ASN HA 2 70 PRO HD3 2.500 . 2.800 2.111 2.111 2.111 . 0 0 "[ ]" 2
1053 2 69 ASN HA 2 70 PRO HD2 2.500 . 2.800 2.096 2.096 2.096 . 0 0 "[ ]" 2
1054 2 66 ASN HB2 2 72 ALA MB 4.000 . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 2
1055 2 69 ASN HB3 2 72 ALA MB 3.000 . 4.300 2.784 2.784 2.784 . 0 0 "[ ]" 2
1056 2 69 ASN HB2 2 72 ALA MB 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 2
1057 2 62 LEU MD2 2 75 ALA HA 3.000 . 4.300 2.834 2.834 2.834 . 0 0 "[ ]" 2
1058 2 62 LEU MD1 2 76 PRO HA 4.000 . 5.300 4.273 4.273 4.273 . 0 0 "[ ]" 2
1059 2 76 PRO QB 2 111 CYS QB 4.000 . 6.300 3.025 3.025 3.025 . 0 0 "[ ]" 2
1060 2 75 ALA HA 2 76 PRO QD 2.500 . 3.800 2.302 2.302 2.302 . 0 0 "[ ]" 2
1061 2 78 CYS HA 2 111 CYS HA 2.500 . 2.800 2.083 2.083 2.083 . 0 0 "[ ]" 2
1062 2 79 VAL HA 2 79 VAL MG1 3.000 . 4.300 2.507 2.507 2.507 . 0 0 "[ ]" 2
1063 2 79 VAL MG1 2 112 SER HB3 3.000 . 4.300 2.676 2.676 2.676 . 0 0 "[ ]" 2
1064 2 79 VAL MG1 2 112 SER HB2 3.000 . 4.300 3.199 3.199 3.199 . 0 0 "[ ]" 2
1065 2 79 VAL MG2 2 112 SER HB3 3.000 . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 2
1066 2 79 VAL MG2 2 112 SER HB2 3.000 . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 2
1067 2 80 PRO HA 2 83 LEU MD2 4.000 . 5.300 4.299 4.299 4.299 . 0 0 "[ ]" 2
1068 2 80 PRO HA 2 106 VAL MG1 3.000 . 4.300 2.876 2.876 2.876 . 0 0 "[ ]" 2
1069 2 80 PRO HA 2 106 VAL MG2 3.000 . 4.300 3.441 3.441 3.441 . 0 0 "[ ]" 2
1070 2 80 PRO HA 2 109 CYS HB3 4.000 . 4.300 4.027 4.027 4.027 . 0 0 "[ ]" 2
1071 2 80 PRO HA 2 109 CYS HA 2.500 . 2.800 2.003 2.003 2.003 . 0 0 "[ ]" 2
1072 2 79 VAL HA 2 80 PRO QD 2.500 . 3.800 2.037 2.037 2.037 . 0 0 "[ ]" 2
1073 2 83 LEU HA 2 83 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 2
1074 2 83 LEU HA 2 83 LEU HB3 2.500 . 2.800 2.503 2.503 2.503 . 0 0 "[ ]" 2
1075 2 83 LEU HA 2 83 LEU MD2 3.000 . 4.300 2.373 2.373 2.373 . 0 0 "[ ]" 2
1076 2 83 LEU HA 2 83 LEU MD1 4.000 . 5.300 3.827 3.827 3.827 . 0 0 "[ ]" 2
1077 2 83 LEU HA 2 106 VAL HA 2.500 . 2.800 2.195 2.195 2.195 . 0 0 "[ ]" 2
1078 2 80 PRO HB3 2 83 LEU MD2 2.500 . 3.800 3.079 3.079 3.079 . 0 0 "[ ]" 2
1079 2 80 PRO HB2 2 83 LEU MD2 2.500 . 3.800 2.116 2.116 2.116 . 0 0 "[ ]" 2
1080 2 80 PRO QG 2 83 LEU MD2 3.000 . 5.300 2.757 2.757 2.757 . 0 0 "[ ]" 2
1081 2 83 LEU HB3 2 83 LEU MD2 3.000 . 4.300 2.067 2.067 2.067 . 0 0 "[ ]" 2
1082 2 83 LEU MD2 2 106 VAL HA 2.500 . 3.800 1.912 1.912 1.912 . 0 0 "[ ]" 2
1083 2 83 LEU MD2 2 106 VAL MG1 4.000 . 6.300 3.303 3.303 3.303 . 0 0 "[ ]" 2
1084 2 83 LEU MD2 2 106 VAL MG2 2.500 . 4.800 1.807 1.807 1.807 . 0 0 "[ ]" 2
1085 2 83 LEU HB3 2 83 LEU MD1 3.000 . 4.300 2.670 2.670 2.670 . 0 0 "[ ]" 2
1086 2 83 LEU HB2 2 83 LEU MD1 3.000 . 4.300 2.137 2.137 2.137 . 0 0 "[ ]" 2
1087 2 83 LEU MD1 2 103 ASN HB3 2.500 . 3.800 1.846 1.846 1.846 . 0 0 "[ ]" 2
1088 2 83 LEU MD1 2 103 ASN HB2 3.000 . 4.300 3.400 3.400 3.400 . 0 0 "[ ]" 2
1089 2 85 PRO HA 2 102 SER HA 3.000 . 3.300 2.226 2.226 2.226 . 0 0 "[ ]" 2
1090 2 85 PRO QB 2 102 SER QB 4.000 . 6.300 4.186 4.186 4.186 . 0 0 "[ ]" 2
1091 2 85 PRO QG 2 102 SER HA 4.000 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 2
1092 2 84 GLU HA 2 85 PRO QD 2.500 . 3.800 1.955 1.955 1.955 . 0 0 "[ ]" 2
1093 2 86 LEU HA 2 86 LEU MD1 2.500 . 3.800 2.814 2.814 2.814 . 0 0 "[ ]" 2
1094 2 86 LEU HA 2 105 ILE MD 4.000 . 5.300 2.893 2.893 2.893 . 0 0 "[ ]" 2
1095 2 86 LEU MD1 2 105 ILE MD 3.000 . 5.300 3.031 3.031 3.031 . 0 0 "[ ]" 2
1096 2 33 ILE MD 2 86 LEU MD1 4.000 . 6.300 4.242 4.242 4.242 . 0 0 "[ ]" 2
1097 2 86 LEU MD1 2 101 LEU MD1 4.000 . 6.300 3.903 3.903 3.903 . 0 0 "[ ]" 2
1098 2 86 LEU MD1 2 104 MET ME 4.000 . 6.300 3.371 3.371 3.371 . 0 0 "[ ]" 2
1099 2 24 PHE HE1 2 86 LEU MD2 4.000 . 5.300 3.100 3.100 3.100 . 0 0 "[ ]" 2
1100 2 36 PRO QG 2 86 LEU MD2 4.500 . 6.800 4.553 4.553 4.553 . 0 0 "[ ]" 2
1101 2 86 LEU MD2 2 88 ILE MG 2.500 . 4.800 1.723 1.723 1.723 0.077 1 0 "[ ]" 2
1102 2 86 LEU MD2 2 101 LEU MD1 2.500 . 4.800 1.713 1.713 1.713 0.087 1 0 "[ ]" 2
1103 2 86 LEU MD2 2 104 MET ME 2.500 . 4.800 1.738 1.738 1.738 0.062 1 0 "[ ]" 2
1104 2 87 PRO HA 2 100 GLN HA 2.500 . 2.800 2.184 2.184 2.184 . 0 0 "[ ]" 2
1105 2 87 PRO HA 2 98 VAL QG 4.000 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 2
1106 2 87 PRO HA 2 100 GLN QG 3.000 . 4.300 2.417 2.417 2.417 . 0 0 "[ ]" 2
1107 2 86 LEU HA 2 87 PRO QD 2.500 . 3.800 1.875 1.875 1.875 . 0 0 "[ ]" 2
1108 2 33 ILE MG 2 88 ILE HA 4.000 . 5.300 4.107 4.107 4.107 . 0 0 "[ ]" 2
1109 2 36 PRO QD 2 88 ILE HA 2.500 . 3.800 1.837 1.837 1.837 . 0 0 "[ ]" 2
1110 2 88 ILE HA 2 88 ILE HB 3.000 . 3.300 2.368 2.368 2.368 . 0 0 "[ ]" 2
1111 2 88 ILE HA 2 88 ILE MG 3.000 . 4.300 2.546 2.546 2.546 . 0 0 "[ ]" 2
1112 2 88 ILE HA 2 88 ILE MD 4.000 . 5.300 4.125 4.125 4.125 . 0 0 "[ ]" 2
1113 2 33 ILE MG 2 88 ILE HB 3.000 . 4.300 2.424 2.424 2.424 . 0 0 "[ ]" 2
1114 2 88 ILE HB 2 88 ILE MD 3.000 . 4.300 2.388 2.388 2.388 . 0 0 "[ ]" 2
1115 2 88 ILE MD 2 88 ILE MG 3.000 . 5.300 1.822 1.822 1.822 . 0 0 "[ ]" 2
1116 2 88 ILE MG 2 101 LEU MD1 2.500 . 4.800 2.472 2.472 2.472 . 0 0 "[ ]" 2
1117 2 88 ILE MG 2 101 LEU MD2 3.000 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 2
1118 2 32 TRP HH2 2 88 ILE MD 2.500 . 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 2
1119 2 33 ILE HA 2 88 ILE MD 4.000 . 5.300 3.801 3.801 3.801 . 0 0 "[ ]" 2
1120 2 33 ILE HB 2 88 ILE MD 4.000 . 5.300 4.206 4.206 4.206 . 0 0 "[ ]" 2
1121 2 33 ILE HG13 2 88 ILE MD 3.000 . 4.300 3.023 3.023 3.023 . 0 0 "[ ]" 2
1122 2 33 ILE HG12 2 88 ILE MD 2.500 . 3.800 1.819 1.819 1.819 . 0 0 "[ ]" 2
1123 2 33 ILE MG 2 88 ILE MD 2.500 . 4.800 2.852 2.852 2.852 . 0 0 "[ ]" 2
1124 2 88 ILE MD 2 90 TYR HB3 4.000 . 5.300 3.514 3.514 3.514 . 0 0 "[ ]" 2
1125 2 88 ILE MD 2 90 TYR HD1 2.500 . 3.800 1.902 1.902 1.902 . 0 0 "[ ]" 2
1126 2 88 ILE MD 2 90 TYR HE1 3.000 . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 2
1127 2 88 ILE MD 2 101 LEU HG 3.000 . 4.300 2.055 2.055 2.055 . 0 0 "[ ]" 2
1128 2 88 ILE MD 2 101 LEU MD2 2.500 . 4.800 1.830 1.830 1.830 . 0 0 "[ ]" 2
1129 2 88 ILE MD 2 101 LEU MD1 2.500 . 4.800 2.451 2.451 2.451 . 0 0 "[ ]" 2
1130 2 89 VAL HA 2 98 VAL HA 2.500 . 2.800 1.897 1.897 1.897 . 0 0 "[ ]" 2
1131 2 88 ILE MD 2 89 VAL HA 4.000 . 5.300 4.509 4.509 4.509 . 0 0 "[ ]" 2
1132 2 89 VAL HA 2 89 VAL MG1 2.500 . 3.800 2.127 2.127 2.127 . 0 0 "[ ]" 2
1133 2 89 VAL HA 2 89 VAL MG2 2.500 . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 2
1134 2 89 VAL HA 2 90 TYR HD1 4.000 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 2
1135 2 89 VAL HA 2 98 VAL QG 3.000 . 5.000 2.615 2.615 2.615 . 0 0 "[ ]" 2
1136 2 34 HIS HD2 2 89 VAL MG1 3.000 . 4.300 3.311 3.311 3.311 . 0 0 "[ ]" 2
1137 2 89 VAL MG1 2 96 PRO QB 4.000 . 6.300 3.198 3.198 3.198 . 0 0 "[ ]" 2
1138 2 34 HIS HD2 2 89 VAL MG2 4.000 . 5.300 4.350 4.350 4.350 . 0 0 "[ ]" 2
1139 2 33 ILE MG 2 90 TYR HA 4.000 . 5.300 4.271 4.271 4.271 . 0 0 "[ ]" 2
1140 2 89 VAL MG1 2 90 TYR HA 4.000 . 5.300 4.039 4.039 4.039 . 0 0 "[ ]" 2
1141 2 90 TYR HA 2 90 TYR HB3 3.000 . 3.300 2.322 2.322 2.322 . 0 0 "[ ]" 2
1142 2 90 TYR HA 2 91 TYR HD1 4.000 . 4.300 3.441 3.441 3.441 . 0 0 "[ ]" 2
1143 2 33 ILE MG 2 90 TYR HD1 4.000 . 5.300 3.874 3.874 3.874 . 0 0 "[ ]" 2
1144 2 33 ILE QG 2 90 TYR HD1 3.000 . 4.300 2.713 2.713 2.713 . 0 0 "[ ]" 2
1145 2 88 ILE HG13 2 90 TYR HD1 3.000 . 3.300 1.815 1.815 1.815 . 0 0 "[ ]" 2
1146 2 88 ILE HG12 2 90 TYR HD1 4.000 . 4.300 3.181 3.181 3.181 . 0 0 "[ ]" 2
1147 2 90 TYR HB3 2 90 TYR HD1 3.000 . 3.300 2.487 2.487 2.487 . 0 0 "[ ]" 2
1148 2 90 TYR HD1 2 99 GLU HB2 4.000 . 4.300 4.244 4.244 4.244 . 0 0 "[ ]" 2
1149 2 90 TYR HB2 2 90 TYR HD2 3.000 . 3.300 2.405 2.405 2.405 . 0 0 "[ ]" 2
1150 2 90 TYR HD2 2 92 VAL MG2 3.000 . 4.300 2.464 2.464 2.464 . 0 0 "[ ]" 2
1151 2 90 TYR HD2 2 97 LYS QB 4.000 . 5.300 3.813 3.813 3.813 . 0 0 "[ ]" 2
1152 2 90 TYR HD2 2 97 LYS QG 4.000 . 5.300 4.495 4.495 4.495 . 0 0 "[ ]" 2
1153 2 32 TRP HZ3 2 90 TYR HE2 4.000 . 4.300 4.362 4.362 4.362 0.062 1 0 "[ ]" 2
1154 2 90 TYR HE2 2 92 VAL MG2 2.500 . 3.800 2.820 2.820 2.820 . 0 0 "[ ]" 2
1155 2 90 TYR HE2 2 97 LYS HB3 4.000 . 4.300 4.312 4.312 4.312 0.012 1 0 "[ ]" 2
1156 2 90 TYR HE2 2 97 LYS HB2 4.000 . 4.300 3.046 3.046 3.046 . 0 0 "[ ]" 2
1157 2 90 TYR HE2 2 97 LYS QG 4.000 . 5.300 4.122 4.122 4.122 . 0 0 "[ ]" 2
1158 2 90 TYR HE2 2 97 LYS QD 4.000 . 5.300 4.358 4.358 4.358 . 0 0 "[ ]" 2
1159 2 32 TRP HZ3 2 90 TYR HE1 4.000 . 4.300 3.532 3.532 3.532 . 0 0 "[ ]" 2
1160 2 88 ILE HG13 2 90 TYR HE1 3.000 . 3.300 2.691 2.691 2.691 . 0 0 "[ ]" 2
1161 2 90 TYR HE1 2 99 GLU HB2 2.500 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 2
1162 2 90 TYR HE1 2 99 GLU HB3 2.500 . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 2
1163 2 90 TYR HE1 2 99 GLU QG 3.000 . 4.300 3.758 3.758 3.758 . 0 0 "[ ]" 2
1164 2 91 TYR HA 2 91 TYR HB3 2.500 . 2.800 2.687 2.687 2.687 . 0 0 "[ ]" 2
1165 2 91 TYR HA 2 91 TYR HD2 4.000 . 4.300 3.056 3.056 3.056 . 0 0 "[ ]" 2
1166 2 91 TYR HA 2 91 TYR HD1 4.000 . 4.300 3.598 3.598 3.598 . 0 0 "[ ]" 2
1167 2 91 TYR HA 2 96 PRO HA 2.500 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 2
1168 2 34 HIS QB 2 91 TYR HD1 3.000 . 4.300 2.950 2.950 2.950 . 0 0 "[ ]" 2
1169 2 91 TYR HB2 2 91 TYR HD1 3.000 . 3.300 2.436 2.436 2.436 . 0 0 "[ ]" 2
1170 2 91 TYR HB3 2 91 TYR HD2 3.000 . 3.300 2.430 2.430 2.430 . 0 0 "[ ]" 2
1171 2 91 TYR HD2 2 94 ARG HA 3.000 . 3.300 3.236 3.236 3.236 . 0 0 "[ ]" 2
1172 2 91 TYR HD2 2 95 LYS HA 4.000 . 4.300 4.239 4.239 4.239 . 0 0 "[ ]" 2
1173 2 91 TYR HD2 2 96 PRO HA 3.000 . 3.300 3.373 3.373 3.373 0.073 1 0 "[ ]" 2
1174 2 34 HIS HB3 2 91 TYR HE1 4.000 . 4.300 3.970 3.970 3.970 . 0 0 "[ ]" 2
1175 2 34 HIS HB2 2 91 TYR HE1 4.000 . 4.300 3.876 3.876 3.876 . 0 0 "[ ]" 2
1176 2 89 VAL MG1 2 91 TYR HE1 4.000 . 5.300 3.976 3.976 3.976 . 0 0 "[ ]" 2
1177 2 91 TYR HE1 2 96 PRO QB 3.000 . 4.300 3.408 3.408 3.408 . 0 0 "[ ]" 2
1178 2 91 TYR HE2 2 94 ARG HA 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 2
1179 2 91 TYR HE2 2 95 LYS HA 4.000 . 4.300 4.203 4.203 4.203 . 0 0 "[ ]" 2
1180 2 91 TYR HE2 2 96 PRO HA 4.000 . 4.300 3.879 3.879 3.879 . 0 0 "[ ]" 2
1181 2 91 TYR HE2 2 96 PRO QB 3.000 . 4.300 2.787 2.787 2.787 . 0 0 "[ ]" 2
1182 2 91 TYR HE2 2 96 PRO QG 4.000 . 5.300 2.859 2.859 2.859 . 0 0 "[ ]" 2
1183 2 91 TYR HE2 2 96 PRO QD 3.000 . 4.300 2.551 2.551 2.551 . 0 0 "[ ]" 2
1184 2 91 TYR QB 2 92 VAL HA 4.000 . 5.300 4.136 4.136 4.136 . 0 0 "[ ]" 2
1185 2 92 VAL HA 2 92 VAL MG1 2.500 . 3.800 1.994 1.994 1.994 . 0 0 "[ ]" 2
1186 2 92 VAL HA 2 92 VAL MG2 2.500 . 3.800 2.640 2.640 2.640 . 0 0 "[ ]" 2
1187 2 92 VAL HB 2 95 LYS QB 4.000 . 5.300 3.478 3.478 3.478 . 0 0 "[ ]" 2
1188 2 94 ARG HA 2 94 ARG HB2 3.000 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 2
1189 2 94 ARG HA 2 94 ARG HB3 2.500 . 2.800 2.435 2.435 2.435 . 0 0 "[ ]" 2
1190 2 89 VAL MG1 2 96 PRO HA 4.000 . 5.300 4.251 4.251 4.251 . 0 0 "[ ]" 2
1191 2 91 TYR QB 2 96 PRO HA 4.000 . 5.300 4.067 4.067 4.067 . 0 0 "[ ]" 2
1192 2 95 LYS HA 2 96 PRO QD 2.500 . 3.800 1.870 1.870 1.870 . 0 0 "[ ]" 2
1193 2 89 VAL MG1 2 98 VAL HA 4.000 . 5.300 2.855 2.855 2.855 . 0 0 "[ ]" 2
1194 2 89 VAL MG2 2 98 VAL HA 3.000 . 4.300 2.704 2.704 2.704 . 0 0 "[ ]" 2
1195 2 98 VAL HA 2 98 VAL HB 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 2
1196 2 98 VAL HA 2 98 VAL QG 2.500 . 4.500 2.064 2.064 2.064 . 0 0 "[ ]" 2
1197 2 99 GLU HA 2 99 GLU HB2 3.000 . 3.300 2.833 2.833 2.833 . 0 0 "[ ]" 2
1198 2 99 GLU HA 2 99 GLU HB3 2.500 . 2.800 2.861 2.861 2.861 0.061 1 0 "[ ]" 2
1199 2 101 LEU HA 2 101 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 2
1200 2 101 LEU HA 2 101 LEU HB3 2.500 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 2
1201 2 101 LEU HA 2 101 LEU MD1 4.000 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 2
1202 2 101 LEU HA 2 101 LEU MD2 2.500 . 3.800 1.847 1.847 1.847 . 0 0 "[ ]" 2
1203 2 101 LEU HB2 2 101 LEU MD1 3.000 . 4.300 2.597 2.597 2.597 . 0 0 "[ ]" 2
1204 2 101 LEU HB3 2 101 LEU MD1 3.000 . 4.300 2.064 2.064 2.064 . 0 0 "[ ]" 2
1205 2 88 ILE MG 2 101 LEU HB2 3.000 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 2
1206 2 88 ILE MD 2 101 LEU HB2 4.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 2
1207 2 88 ILE MG 2 101 LEU HG 2.500 . 3.800 2.118 2.118 2.118 . 0 0 "[ ]" 2
1208 2 24 PHE HE1 2 101 LEU MD1 4.000 . 5.300 3.179 3.179 3.179 . 0 0 "[ ]" 2
1209 2 32 TRP HH2 2 101 LEU MD1 3.000 . 4.300 1.960 1.960 1.960 . 0 0 "[ ]" 2
1210 2 32 TRP HZ2 2 101 LEU MD1 2.500 . 3.800 2.078 2.078 2.078 . 0 0 "[ ]" 2
1211 2 101 LEU MD1 2 104 MET ME 2.500 . 4.800 1.936 1.936 1.936 . 0 0 "[ ]" 2
1212 2 32 TRP HH2 2 101 LEU MD2 2.500 . 3.800 1.818 1.818 1.818 . 0 0 "[ ]" 2
1213 2 32 TRP HZ2 2 101 LEU MD2 4.000 . 5.300 3.556 3.556 3.556 . 0 0 "[ ]" 2
1214 2 88 ILE HG13 2 101 LEU MD2 4.000 . 5.300 4.279 4.279 4.279 . 0 0 "[ ]" 2
1215 2 101 LEU HB3 2 101 LEU MD2 3.000 . 4.300 2.569 2.569 2.569 . 0 0 "[ ]" 2
1216 2 101 LEU MD2 2 104 MET ME 4.000 . 6.300 4.260 4.260 4.260 . 0 0 "[ ]" 2
1217 2 85 PRO QB 2 102 SER HA 3.000 . 4.300 2.574 2.574 2.574 . 0 0 "[ ]" 2
1218 2 83 LEU HA 2 103 ASN HA 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 2
1219 2 83 LEU HB3 2 103 ASN HA 2.500 . 2.800 1.993 1.993 1.993 . 0 0 "[ ]" 2
1220 2 83 LEU HB2 2 103 ASN HA 2.500 . 2.800 2.276 2.276 2.276 . 0 0 "[ ]" 2
1221 2 83 LEU MD2 2 103 ASN HA 3.000 . 4.300 3.458 3.458 3.458 . 0 0 "[ ]" 2
1222 2 83 LEU MD1 2 103 ASN HA 3.000 . 4.300 3.054 3.054 3.054 . 0 0 "[ ]" 2
1223 2 30 TRP HZ3 2 104 MET ME 4.000 . 5.300 1.804 1.804 1.804 . 0 0 "[ ]" 2
1224 2 41 ALA MB 2 105 ILE HA 4.000 . 5.300 3.664 3.664 3.664 . 0 0 "[ ]" 2
1225 2 105 ILE HA 2 105 ILE MG 3.000 . 4.300 2.336 2.336 2.336 . 0 0 "[ ]" 2
1226 2 105 ILE HA 2 105 ILE MD 4.000 . 5.300 3.759 3.759 3.759 . 0 0 "[ ]" 2
1227 2 84 GLU HB2 2 105 ILE HB 2.500 . 2.800 1.872 1.872 1.872 . 0 0 "[ ]" 2
1228 2 84 GLU HB3 2 105 ILE HB 3.000 . 3.300 2.416 2.416 2.416 . 0 0 "[ ]" 2
1229 2 39 TYR QB 2 105 ILE MD 4.000 . 6.300 3.191 3.191 3.191 . 0 0 "[ ]" 2
1230 2 84 GLU HB3 2 105 ILE MD 3.000 . 4.300 2.436 2.436 2.436 . 0 0 "[ ]" 2
1231 2 84 GLU HB2 2 105 ILE MD 3.000 . 4.300 3.167 3.167 3.167 . 0 0 "[ ]" 2
1232 2 105 ILE HB 2 105 ILE MD 3.000 . 4.300 2.386 2.386 2.386 . 0 0 "[ ]" 2
1233 2 105 ILE MD 2 105 ILE MG 2.500 . 4.800 1.698 1.698 1.698 0.102 1 0 "[ ]" 2
1234 2 41 ALA HA 2 105 ILE MG 3.000 . 4.300 2.850 2.850 2.850 . 0 0 "[ ]" 2
1235 2 84 GLU HB3 2 105 ILE MG 4.000 . 5.300 3.242 3.242 3.242 . 0 0 "[ ]" 2
1236 2 84 GLU HB2 2 105 ILE MG 3.000 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 2
1237 2 105 ILE MG 2 106 VAL MG1 4.000 . 6.300 4.238 4.238 4.238 . 0 0 "[ ]" 2
1238 2 106 VAL HA 2 106 VAL HB 3.000 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 2
1239 2 80 PRO QB 2 106 VAL HB 4.000 . 5.300 3.966 3.966 3.966 . 0 0 "[ ]" 2
1240 2 42 ASN QB 2 106 VAL MG1 2.500 . 4.800 2.569 2.569 2.569 . 0 0 "[ ]" 2
1241 2 80 PRO QB 2 106 VAL MG1 3.000 . 5.300 2.462 2.462 2.462 . 0 0 "[ ]" 2
1242 2 106 VAL HA 2 106 VAL MG1 3.000 . 4.300 2.520 2.520 2.520 . 0 0 "[ ]" 2
1243 2 42 ASN HB3 2 106 VAL MG2 3.000 . 4.300 3.551 3.551 3.551 . 0 0 "[ ]" 2
1244 2 42 ASN HB2 2 106 VAL MG2 3.000 . 4.300 3.559 3.559 3.559 . 0 0 "[ ]" 2
1245 2 80 PRO QB 2 106 VAL MG2 2.500 . 4.800 1.670 1.670 1.670 0.130 1 0 "[ ]" 2
1246 2 80 PRO QG 2 106 VAL MG2 3.000 . 5.300 2.727 2.727 2.727 . 0 0 "[ ]" 2
1247 2 106 VAL HA 2 106 VAL MG2 2.500 . 3.800 2.145 2.145 2.145 . 0 0 "[ ]" 2
1248 2 4 THR MG 2 107 ARG HA 3.000 . 4.300 2.466 2.466 2.466 . 0 0 "[ ]" 2
1249 2 80 PRO QB 2 109 CYS HA 4.000 . 5.300 3.916 3.916 3.916 . 0 0 "[ ]" 2
1250 2 106 VAL MG1 2 109 CYS HA 4.000 . 5.300 3.739 3.739 3.739 . 0 0 "[ ]" 2
1251 2 109 CYS HA 2 109 CYS HB3 2.500 . 2.800 2.538 2.538 2.538 . 0 0 "[ ]" 2
1252 2 53 SER QB 2 110 LYS HA 4.000 . 5.300 4.245 4.245 4.245 . 0 0 "[ ]" 2
1253 2 2 LEU MD1 2 110 LYS HA 3.000 . 4.300 3.252 3.252 3.252 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 208
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.903
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.1003
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 LEU 0.119 0.119 1 0 "[ ]"
1 22 ILE 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.269 0.171 1 0 "[ ]"
1 30 TRP 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 56 THR 0.035 0.035 1 0 "[ ]"
1 57 GLN 0.000 0.000 . 0 "[ ]"
1 58 TYR 0.000 0.000 . 0 "[ ]"
1 61 VAL 0.170 0.170 1 0 "[ ]"
1 62 LEU 0.118 0.118 1 0 "[ ]"
1 64 LEU 0.000 0.000 . 0 "[ ]"
1 65 TYR 0.099 0.099 1 0 "[ ]"
1 68 HIS 0.000 0.000 . 0 "[ ]"
1 73 SER 0.000 0.000 . 0 "[ ]"
1 74 ALA 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.000 0.000 . 0 "[ ]"
1 77 CYS 0.000 0.000 . 0 "[ ]"
1 79 VAL 0.000 0.000 . 0 "[ ]"
1 80 PRO 0.000 0.000 . 0 "[ ]"
1 83 LEU 0.028 0.028 1 0 "[ ]"
1 102 SER 0.000 0.000 . 0 "[ ]"
1 103 ASN 0.000 0.000 . 0 "[ ]"
1 104 MET 0.065 0.065 1 0 "[ ]"
1 106 VAL 0.000 0.000 . 0 "[ ]"
1 112 SER 0.000 0.000 . 0 "[ ]"
2 20 LEU 0.118 0.118 1 0 "[ ]"
2 22 ILE 0.000 0.000 . 0 "[ ]"
2 27 ASP 0.000 0.000 . 0 "[ ]"
2 28 LEU 0.269 0.170 1 0 "[ ]"
2 30 TRP 0.000 0.000 . 0 "[ ]"
2 41 ALA 0.000 0.000 . 0 "[ ]"
2 43 PHE 0.000 0.000 . 0 "[ ]"
2 45 LEU 0.000 0.000 . 0 "[ ]"
2 56 THR 0.028 0.028 1 0 "[ ]"
2 57 GLN 0.000 0.000 . 0 "[ ]"
2 58 TYR 0.000 0.000 . 0 "[ ]"
2 61 VAL 0.236 0.171 1 0 "[ ]"
2 62 LEU 0.119 0.119 1 0 "[ ]"
2 64 LEU 0.000 0.000 . 0 "[ ]"
2 65 TYR 0.098 0.098 1 0 "[ ]"
2 68 HIS 0.000 0.000 . 0 "[ ]"
2 73 SER 0.000 0.000 . 0 "[ ]"
2 74 ALA 0.000 0.000 . 0 "[ ]"
2 75 ALA 0.000 0.000 . 0 "[ ]"
2 77 CYS 0.000 0.000 . 0 "[ ]"
2 79 VAL 0.000 0.000 . 0 "[ ]"
2 80 PRO 0.000 0.000 . 0 "[ ]"
2 83 LEU 0.035 0.035 1 0 "[ ]"
2 102 SER 0.000 0.000 . 0 "[ ]"
2 103 ASN 0.000 0.000 . 0 "[ ]"
2 104 MET 0.000 0.000 . 0 "[ ]"
2 106 VAL 0.000 0.000 . 0 "[ ]"
2 112 SER 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 LEU H 2 65 TYR HD1 4.000 . 4.300 4.398 4.398 4.398 0.098 1 0 "[ ]" 3
2 1 57 GLN H 2 103 ASN HB2 3.000 . 3.300 2.250 2.250 2.250 . 0 0 "[ ]" 3
3 1 57 GLN H 2 103 ASN HB3 3.000 . 3.300 2.160 2.160 2.160 . 0 0 "[ ]" 3
4 1 58 TYR H 2 83 LEU MD1 3.000 . 4.300 3.043 3.043 3.043 . 0 0 "[ ]" 3
5 1 58 TYR H 2 103 ASN HB3 4.000 . 4.300 2.976 2.976 2.976 . 0 0 "[ ]" 3
6 1 58 TYR H 2 104 MET HA 4.000 . 4.300 3.605 3.605 3.605 . 0 0 "[ ]" 3
7 1 64 LEU H 2 28 LEU MD2 4.000 . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 3
8 1 65 TYR H 2 28 LEU MD2 2.500 . 3.800 2.154 2.154 2.154 . 0 0 "[ ]" 3
9 1 75 ALA H 2 45 LEU MD2 4.000 . 5.300 3.765 3.765 3.765 . 0 0 "[ ]" 3
10 1 77 CYS H 2 79 VAL MG1 4.000 . 5.300 4.164 4.164 4.164 . 0 0 "[ ]" 3
11 1 102 SER H 2 57 GLN QG 4.000 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 3
12 1 112 SER H 2 79 VAL MG1 4.000 . 5.300 3.265 3.265 3.265 . 0 0 "[ ]" 3
13 1 112 SER H 2 79 VAL MG2 4.000 . 5.300 4.267 4.267 4.267 . 0 0 "[ ]" 3
14 1 65 TYR HD1 2 28 LEU H 4.000 . 4.300 4.399 4.399 4.399 0.099 1 0 "[ ]" 3
15 1 103 ASN HB2 2 57 GLN H 3.000 . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 3
16 1 103 ASN HB3 2 57 GLN H 3.000 . 3.300 2.165 2.165 2.165 . 0 0 "[ ]" 3
17 1 83 LEU MD1 2 58 TYR H 3.000 . 4.300 3.183 3.183 3.183 . 0 0 "[ ]" 3
18 1 103 ASN HB3 2 58 TYR H 4.000 . 4.300 2.984 2.984 2.984 . 0 0 "[ ]" 3
19 1 104 MET HA 2 58 TYR H 4.000 . 4.300 3.599 3.599 3.599 . 0 0 "[ ]" 3
20 1 28 LEU MD2 2 64 LEU H 4.000 . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 3
21 1 28 LEU MD2 2 65 TYR H 2.500 . 3.800 2.155 2.155 2.155 . 0 0 "[ ]" 3
22 1 45 LEU MD2 2 75 ALA H 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 3
23 1 79 VAL MG1 2 77 CYS H 4.000 . 5.300 4.140 4.140 4.140 . 0 0 "[ ]" 3
24 1 57 GLN QG 2 102 SER H 4.000 . 5.300 4.401 4.401 4.401 . 0 0 "[ ]" 3
25 1 79 VAL MG1 2 112 SER H 4.000 . 5.300 3.260 3.260 3.260 . 0 0 "[ ]" 3
26 1 79 VAL MG2 2 112 SER H 4.000 . 5.300 4.263 4.263 4.263 . 0 0 "[ ]" 3
27 1 20 LEU MD2 2 62 LEU MD1 2.500 . 4.800 1.681 1.681 1.681 0.119 1 0 "[ ]" 3
28 1 20 LEU MD2 2 62 LEU MD2 4.000 . 6.300 3.408 3.408 3.408 . 0 0 "[ ]" 3
29 1 20 LEU MD2 2 65 TYR HE2 4.000 . 5.300 3.543 3.543 3.543 . 0 0 "[ ]" 3
30 1 20 LEU MD1 2 65 TYR HE2 4.000 . 5.300 2.195 2.195 2.195 . 0 0 "[ ]" 3
31 1 20 LEU MD1 2 65 TYR HE1 3.000 . 4.300 3.316 3.316 3.316 . 0 0 "[ ]" 3
32 1 22 ILE HA 2 65 TYR HD1 4.000 . 4.300 3.365 3.365 3.365 . 0 0 "[ ]" 3
33 1 22 ILE HA 2 65 TYR HE1 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 3
34 1 22 ILE MG 2 61 VAL MG1 3.000 . 5.300 2.790 2.790 2.790 . 0 0 "[ ]" 3
35 1 22 ILE MG 2 65 TYR HD1 2.500 . 3.800 1.843 1.843 1.843 . 0 0 "[ ]" 3
36 1 22 ILE MG 2 65 TYR HE1 3.000 . 4.300 3.411 3.411 3.411 . 0 0 "[ ]" 3
37 1 22 ILE MD 2 61 VAL MG1 2.500 . 4.800 1.944 1.944 1.944 . 0 0 "[ ]" 3
38 1 22 ILE MD 2 62 LEU HA 3.000 . 4.300 2.767 2.767 2.767 . 0 0 "[ ]" 3
39 1 22 ILE MD 2 65 TYR HA 4.000 . 5.300 3.970 3.970 3.970 . 0 0 "[ ]" 3
40 1 22 ILE MD 2 65 TYR HE1 4.000 . 5.300 4.077 4.077 4.077 . 0 0 "[ ]" 3
41 1 22 ILE MD 2 65 TYR HD1 3.000 . 4.300 2.609 2.609 2.609 . 0 0 "[ ]" 3
42 1 22 ILE MD 2 58 TYR HE1 4.000 . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 3
43 1 27 ASP HB3 2 65 TYR HE1 4.000 . 4.300 3.373 3.373 3.373 . 0 0 "[ ]" 3
44 1 27 ASP HB3 2 65 TYR HD1 2.500 . 2.800 1.864 1.864 1.864 . 0 0 "[ ]" 3
45 1 27 ASP HB2 2 65 TYR HD1 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 3
46 1 27 ASP HB2 2 65 TYR HE1 4.000 . 4.300 3.554 3.554 3.554 . 0 0 "[ ]" 3
47 1 28 LEU HA 2 64 LEU HB3 3.000 . 3.300 3.063 3.063 3.063 . 0 0 "[ ]" 3
48 1 28 LEU HA 2 64 LEU MD1 4.000 . 5.300 4.272 4.272 4.272 . 0 0 "[ ]" 3
49 1 28 LEU HA 2 68 HIS HE1 4.000 . 4.300 3.992 3.992 3.992 . 0 0 "[ ]" 3
50 1 28 LEU HG 2 65 TYR HD1 4.000 . 4.300 3.676 3.676 3.676 . 0 0 "[ ]" 3
51 1 28 LEU MD1 2 61 VAL MG1 2.500 . 4.800 1.629 1.629 1.629 0.171 1 0 "[ ]" 3
52 1 28 LEU MD1 2 61 VAL HA 3.000 . 4.300 2.136 2.136 2.136 . 0 0 "[ ]" 3
53 1 28 LEU MD1 2 61 VAL MG2 2.500 . 4.800 2.439 2.439 2.439 . 0 0 "[ ]" 3
54 1 28 LEU MD1 2 62 LEU HA 4.000 . 5.300 4.248 4.248 4.248 . 0 0 "[ ]" 3
55 1 28 LEU MD1 2 64 LEU HB3 4.000 . 5.300 4.302 4.302 4.302 . 0 0 "[ ]" 3
56 1 28 LEU MD2 2 61 VAL HA 3.000 . 4.300 3.346 3.346 3.346 . 0 0 "[ ]" 3
57 1 28 LEU MD2 2 61 VAL MG1 3.000 . 5.300 2.529 2.529 2.529 . 0 0 "[ ]" 3
58 1 28 LEU MD2 2 61 VAL MG2 4.000 . 6.300 4.190 4.190 4.190 . 0 0 "[ ]" 3
59 1 28 LEU MD2 2 62 LEU HA 4.000 . 5.300 3.359 3.359 3.359 . 0 0 "[ ]" 3
60 1 28 LEU MD2 2 64 LEU HB3 2.500 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 3
61 1 28 LEU MD2 2 64 LEU HG 4.000 . 5.300 4.128 4.128 4.128 . 0 0 "[ ]" 3
62 1 28 LEU MD2 2 64 LEU MD1 3.000 . 5.300 3.007 3.007 3.007 . 0 0 "[ ]" 3
63 1 28 LEU MD2 2 65 TYR HA 2.500 . 3.800 1.835 1.835 1.835 . 0 0 "[ ]" 3
64 1 28 LEU MD2 2 65 TYR HB3 4.000 . 5.300 3.335 3.335 3.335 . 0 0 "[ ]" 3
65 1 28 LEU MD2 2 65 TYR HB2 2.500 . 3.800 2.277 2.277 2.277 . 0 0 "[ ]" 3
66 1 28 LEU MD2 2 65 TYR HD1 3.000 . 4.300 3.113 3.113 3.113 . 0 0 "[ ]" 3
67 1 28 LEU MD2 2 68 HIS HE1 4.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 3
68 1 30 TRP HD1 2 64 LEU MD1 4.000 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 3
69 1 30 TRP HZ2 2 61 VAL HA 3.000 . 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 3
70 1 30 TRP HZ2 2 61 VAL MG2 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 3
71 1 30 TRP HZ2 2 64 LEU MD1 3.000 . 4.300 3.078 3.078 3.078 . 0 0 "[ ]" 3
72 1 30 TRP HH2 2 61 VAL MG2 2.500 . 3.800 1.913 1.913 1.913 . 0 0 "[ ]" 3
73 1 30 TRP HZ3 2 61 VAL MG2 2.500 . 3.800 3.196 3.196 3.196 . 0 0 "[ ]" 3
74 1 41 ALA MB 2 58 TYR HD1 3.000 . 4.300 2.728 2.728 2.728 . 0 0 "[ ]" 3
75 1 41 ALA MB 2 61 VAL MG1 3.000 . 5.300 2.954 2.954 2.954 . 0 0 "[ ]" 3
76 1 41 ALA MB 2 58 TYR HE1 2.500 . 3.800 3.052 3.052 3.052 . 0 0 "[ ]" 3
77 1 43 PHE HA 2 58 TYR HE2 4.000 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 3
78 1 43 PHE QB 2 62 LEU MD1 3.000 . 5.300 2.703 2.703 2.703 . 0 0 "[ ]" 3
79 1 43 PHE QB 2 62 LEU MD2 3.000 . 5.300 3.172 3.172 3.172 . 0 0 "[ ]" 3
80 1 43 PHE HD2 2 62 LEU MD1 4.000 . 5.300 2.964 2.964 2.964 . 0 0 "[ ]" 3
81 1 43 PHE HD2 2 74 ALA HA 3.000 . 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 3
82 1 43 PHE HE1 2 74 ALA MB 4.000 . 5.300 4.347 4.347 4.347 . 0 0 "[ ]" 3
83 1 43 PHE HE2 2 74 ALA HA 2.500 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 3
84 1 43 PHE HE2 2 74 ALA MB 3.000 . 4.300 1.849 1.849 1.849 . 0 0 "[ ]" 3
85 1 43 PHE HE2 2 62 LEU MD1 4.000 . 5.300 4.420 4.420 4.420 . 0 0 "[ ]" 3
86 1 45 LEU MD2 2 74 ALA HA 3.000 . 4.300 1.843 1.843 1.843 . 0 0 "[ ]" 3
87 1 45 LEU MD2 2 73 SER QB 4.000 . 6.300 3.573 3.573 3.573 . 0 0 "[ ]" 3
88 1 56 THR HA 2 83 LEU MD1 4.000 . 5.300 3.594 3.594 3.594 . 0 0 "[ ]" 3
89 1 56 THR HB 2 83 LEU MD1 2.500 . 3.800 1.765 1.765 1.765 0.035 1 0 "[ ]" 3
90 1 56 THR HB 2 103 ASN HB3 3.000 . 3.300 2.496 2.496 2.496 . 0 0 "[ ]" 3
91 1 56 THR HB 2 103 ASN HB2 4.000 . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 3
92 1 56 THR MG 2 83 LEU MD1 2.500 . 4.800 1.994 1.994 1.994 . 0 0 "[ ]" 3
93 1 56 THR MG 2 83 LEU MD2 4.000 . 6.300 3.637 3.637 3.637 . 0 0 "[ ]" 3
94 1 58 TYR HA 2 104 MET HA 4.000 . 4.300 3.334 3.334 3.334 . 0 0 "[ ]" 3
95 1 58 TYR HB3 2 83 LEU MD1 4.000 . 5.300 3.120 3.120 3.120 . 0 0 "[ ]" 3
96 1 58 TYR HB3 2 83 LEU MD2 2.500 . 3.800 2.190 2.190 2.190 . 0 0 "[ ]" 3
97 1 58 TYR HB2 2 83 LEU MD1 4.000 . 5.300 4.090 4.090 4.090 . 0 0 "[ ]" 3
98 1 58 TYR HB2 2 83 LEU MD2 3.000 . 4.300 2.576 2.576 2.576 . 0 0 "[ ]" 3
99 1 58 TYR HB3 2 106 VAL MG2 3.000 . 4.300 3.584 3.584 3.584 . 0 0 "[ ]" 3
100 1 58 TYR HD2 2 83 LEU MD2 4.000 . 5.300 3.110 3.110 3.110 . 0 0 "[ ]" 3
101 1 58 TYR HD2 2 83 LEU MD1 4.000 . 5.300 4.167 4.167 4.167 . 0 0 "[ ]" 3
102 1 58 TYR HD2 2 106 VAL MG2 4.000 . 5.300 3.664 3.664 3.664 . 0 0 "[ ]" 3
103 1 58 TYR HE2 2 106 VAL MG2 4.000 . 5.300 3.957 3.957 3.957 . 0 0 "[ ]" 3
104 1 58 TYR HD1 2 106 VAL MG2 4.000 . 5.300 3.487 3.487 3.487 . 0 0 "[ ]" 3
105 1 58 TYR HE1 2 106 VAL MG2 4.000 . 5.300 3.907 3.907 3.907 . 0 0 "[ ]" 3
106 1 58 TYR HE2 2 80 PRO QG 2.500 . 3.800 2.090 2.090 2.090 . 0 0 "[ ]" 3
107 1 61 VAL MG2 2 104 MET HA 4.000 . 5.300 3.599 3.599 3.599 . 0 0 "[ ]" 3
108 1 61 VAL MG2 2 104 MET ME 2.500 . 4.800 1.896 1.896 1.896 . 0 0 "[ ]" 3
109 1 74 ALA MB 2 20 LEU MD2 4.000 . 6.300 2.381 2.381 2.381 . 0 0 "[ ]" 3
110 1 74 ALA MB 2 43 PHE HD2 3.000 . 4.300 2.359 2.359 2.359 . 0 0 "[ ]" 3
111 1 79 VAL HA 2 77 CYS QB 4.000 . 5.300 3.429 3.429 3.429 . 0 0 "[ ]" 3
112 1 79 VAL HB 2 77 CYS QB 4.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 3
113 1 79 VAL MG1 2 77 CYS QB 2.500 . 4.800 2.085 2.085 2.085 . 0 0 "[ ]" 3
114 1 79 VAL MG1 2 112 SER HB3 3.000 . 4.300 1.908 1.908 1.908 . 0 0 "[ ]" 3
115 1 79 VAL MG1 2 112 SER HB2 3.000 . 4.300 3.326 3.326 3.326 . 0 0 "[ ]" 3
116 1 79 VAL MG2 2 112 SER HB3 2.500 . 3.800 2.030 2.030 2.030 . 0 0 "[ ]" 3
117 1 79 VAL MG2 2 112 SER HB2 2.500 . 3.800 2.734 2.734 2.734 . 0 0 "[ ]" 3
118 1 62 LEU MD1 2 20 LEU MD2 2.500 . 4.800 1.682 1.682 1.682 0.118 1 0 "[ ]" 3
119 1 62 LEU MD2 2 20 LEU MD2 4.000 . 6.300 3.408 3.408 3.408 . 0 0 "[ ]" 3
120 1 65 TYR HE2 2 20 LEU MD2 4.000 . 5.300 3.547 3.547 3.547 . 0 0 "[ ]" 3
121 1 65 TYR HE2 2 20 LEU MD1 4.000 . 5.300 2.221 2.221 2.221 . 0 0 "[ ]" 3
122 1 65 TYR HE1 2 20 LEU MD1 3.000 . 4.300 3.292 3.292 3.292 . 0 0 "[ ]" 3
123 1 65 TYR HD1 2 22 ILE HA 4.000 . 4.300 3.366 3.366 3.366 . 0 0 "[ ]" 3
124 1 65 TYR HE1 2 22 ILE HA 3.000 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 3
125 1 61 VAL MG1 2 22 ILE MG 3.000 . 5.300 2.790 2.790 2.790 . 0 0 "[ ]" 3
126 1 65 TYR HD1 2 22 ILE MG 2.500 . 3.800 1.842 1.842 1.842 . 0 0 "[ ]" 3
127 1 65 TYR HE1 2 22 ILE MG 3.000 . 4.300 3.414 3.414 3.414 . 0 0 "[ ]" 3
128 1 61 VAL MG1 2 22 ILE MD 2.500 . 4.800 1.921 1.921 1.921 . 0 0 "[ ]" 3
129 1 62 LEU HA 2 22 ILE MD 3.000 . 4.300 2.797 2.797 2.797 . 0 0 "[ ]" 3
130 1 65 TYR HA 2 22 ILE MD 4.000 . 5.300 3.921 3.921 3.921 . 0 0 "[ ]" 3
131 1 65 TYR HE1 2 22 ILE MD 4.000 . 5.300 4.090 4.090 4.090 . 0 0 "[ ]" 3
132 1 65 TYR HD1 2 22 ILE MD 3.000 . 4.300 2.553 2.553 2.553 . 0 0 "[ ]" 3
133 1 58 TYR HE1 2 22 ILE MD 4.000 . 5.300 3.136 3.136 3.136 . 0 0 "[ ]" 3
134 1 65 TYR HE1 2 27 ASP HB3 4.000 . 4.300 3.377 3.377 3.377 . 0 0 "[ ]" 3
135 1 65 TYR HD1 2 27 ASP HB3 2.500 . 2.800 1.864 1.864 1.864 . 0 0 "[ ]" 3
136 1 65 TYR HD1 2 27 ASP HB2 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 3
137 1 65 TYR HE1 2 27 ASP HB2 4.000 . 4.300 3.559 3.559 3.559 . 0 0 "[ ]" 3
138 1 64 LEU HB3 2 28 LEU HA 3.000 . 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 3
139 1 64 LEU MD1 2 28 LEU HA 4.000 . 5.300 4.290 4.290 4.290 . 0 0 "[ ]" 3
140 1 68 HIS HE1 2 28 LEU HA 4.000 . 4.300 3.994 3.994 3.994 . 0 0 "[ ]" 3
141 1 65 TYR HD1 2 28 LEU HG 4.000 . 4.300 3.680 3.680 3.680 . 0 0 "[ ]" 3
142 1 61 VAL MG1 2 28 LEU MD1 2.500 . 4.800 1.630 1.630 1.630 0.170 1 0 "[ ]" 3
143 1 61 VAL HA 2 28 LEU MD1 3.000 . 4.300 2.135 2.135 2.135 . 0 0 "[ ]" 3
144 1 61 VAL MG2 2 28 LEU MD1 2.500 . 4.800 2.452 2.452 2.452 . 0 0 "[ ]" 3
145 1 62 LEU HA 2 28 LEU MD1 4.000 . 5.300 4.251 4.251 4.251 . 0 0 "[ ]" 3
146 1 64 LEU HB3 2 28 LEU MD1 4.000 . 5.300 4.299 4.299 4.299 . 0 0 "[ ]" 3
147 1 61 VAL HA 2 28 LEU MD2 3.000 . 4.300 3.346 3.346 3.346 . 0 0 "[ ]" 3
148 1 61 VAL MG1 2 28 LEU MD2 3.000 . 5.300 2.528 2.528 2.528 . 0 0 "[ ]" 3
149 1 61 VAL MG2 2 28 LEU MD2 4.000 . 6.300 4.198 4.198 4.198 . 0 0 "[ ]" 3
150 1 62 LEU HA 2 28 LEU MD2 4.000 . 5.300 3.359 3.359 3.359 . 0 0 "[ ]" 3
151 1 64 LEU HB3 2 28 LEU MD2 2.500 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 3
152 1 64 LEU HG 2 28 LEU MD2 4.000 . 5.300 4.127 4.127 4.127 . 0 0 "[ ]" 3
153 1 64 LEU MD1 2 28 LEU MD2 3.000 . 5.300 3.048 3.048 3.048 . 0 0 "[ ]" 3
154 1 65 TYR HA 2 28 LEU MD2 2.500 . 3.800 1.834 1.834 1.834 . 0 0 "[ ]" 3
155 1 65 TYR HB3 2 28 LEU MD2 4.000 . 5.300 3.335 3.335 3.335 . 0 0 "[ ]" 3
156 1 65 TYR HB2 2 28 LEU MD2 2.500 . 3.800 2.278 2.278 2.278 . 0 0 "[ ]" 3
157 1 65 TYR HD1 2 28 LEU MD2 3.000 . 4.300 3.115 3.115 3.115 . 0 0 "[ ]" 3
158 1 68 HIS HE1 2 28 LEU MD2 4.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 3
159 1 64 LEU MD1 2 30 TRP HD1 4.000 . 5.300 3.507 3.507 3.507 . 0 0 "[ ]" 3
160 1 61 VAL HA 2 30 TRP HZ2 3.000 . 3.300 2.581 2.581 2.581 . 0 0 "[ ]" 3
161 1 61 VAL MG2 2 30 TRP HZ2 3.000 . 4.300 2.373 2.373 2.373 . 0 0 "[ ]" 3
162 1 64 LEU MD1 2 30 TRP HZ2 3.000 . 4.300 3.060 3.060 3.060 . 0 0 "[ ]" 3
163 1 61 VAL MG2 2 30 TRP HH2 2.500 . 3.800 1.901 1.901 1.901 . 0 0 "[ ]" 3
164 1 61 VAL MG2 2 30 TRP HZ3 2.500 . 3.800 3.194 3.194 3.194 . 0 0 "[ ]" 3
165 1 58 TYR HD1 2 41 ALA MB 3.000 . 4.300 2.719 2.719 2.719 . 0 0 "[ ]" 3
166 1 61 VAL MG1 2 41 ALA MB 3.000 . 5.300 2.958 2.958 2.958 . 0 0 "[ ]" 3
167 1 58 TYR HE1 2 41 ALA MB 2.500 . 3.800 3.051 3.051 3.051 . 0 0 "[ ]" 3
168 1 58 TYR HE2 2 43 PHE HA 4.000 . 4.300 4.261 4.261 4.261 . 0 0 "[ ]" 3
169 1 62 LEU MD1 2 43 PHE QB 3.000 . 5.300 2.707 2.707 2.707 . 0 0 "[ ]" 3
170 1 62 LEU MD2 2 43 PHE QB 3.000 . 5.300 3.173 3.173 3.173 . 0 0 "[ ]" 3
171 1 62 LEU MD1 2 43 PHE HD2 4.000 . 5.300 2.967 2.967 2.967 . 0 0 "[ ]" 3
172 1 74 ALA HA 2 43 PHE HD2 3.000 . 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 3
173 1 74 ALA MB 2 43 PHE HE1 4.000 . 5.300 4.354 4.354 4.354 . 0 0 "[ ]" 3
174 1 74 ALA HA 2 43 PHE HE2 2.500 . 2.800 1.835 1.835 1.835 . 0 0 "[ ]" 3
175 1 74 ALA MB 2 43 PHE HE2 3.000 . 4.300 1.904 1.904 1.904 . 0 0 "[ ]" 3
176 1 62 LEU MD1 2 43 PHE HE2 4.000 . 5.300 4.420 4.420 4.420 . 0 0 "[ ]" 3
177 1 74 ALA HA 2 45 LEU MD2 3.000 . 4.300 1.841 1.841 1.841 . 0 0 "[ ]" 3
178 1 73 SER QB 2 45 LEU MD2 4.000 . 6.300 3.567 3.567 3.567 . 0 0 "[ ]" 3
179 1 83 LEU MD1 2 56 THR HA 4.000 . 5.300 3.604 3.604 3.604 . 0 0 "[ ]" 3
180 1 83 LEU MD1 2 56 THR HB 2.500 . 3.800 1.772 1.772 1.772 0.028 1 0 "[ ]" 3
181 1 103 ASN HB3 2 56 THR HB 3.000 . 3.300 2.493 2.493 2.493 . 0 0 "[ ]" 3
182 1 103 ASN HB2 2 56 THR HB 4.000 . 4.300 3.802 3.802 3.802 . 0 0 "[ ]" 3
183 1 83 LEU MD1 2 56 THR MG 2.500 . 4.800 2.194 2.194 2.194 . 0 0 "[ ]" 3
184 1 83 LEU MD2 2 56 THR MG 4.000 . 6.300 3.612 3.612 3.612 . 0 0 "[ ]" 3
185 1 104 MET HA 2 58 TYR HA 4.000 . 4.300 3.334 3.334 3.334 . 0 0 "[ ]" 3
186 1 83 LEU MD1 2 58 TYR HB3 4.000 . 5.300 2.962 2.962 2.962 . 0 0 "[ ]" 3
187 1 83 LEU MD2 2 58 TYR HB3 2.500 . 3.800 2.187 2.187 2.187 . 0 0 "[ ]" 3
188 1 83 LEU MD1 2 58 TYR HB2 4.000 . 5.300 4.093 4.093 4.093 . 0 0 "[ ]" 3
189 1 83 LEU MD2 2 58 TYR HB2 3.000 . 4.300 2.572 2.572 2.572 . 0 0 "[ ]" 3
190 1 106 VAL MG2 2 58 TYR HB3 3.000 . 4.300 3.583 3.583 3.583 . 0 0 "[ ]" 3
191 1 83 LEU MD2 2 58 TYR HD2 4.000 . 5.300 3.113 3.113 3.113 . 0 0 "[ ]" 3
192 1 83 LEU MD1 2 58 TYR HD2 4.000 . 5.300 3.998 3.998 3.998 . 0 0 "[ ]" 3
193 1 106 VAL MG2 2 58 TYR HD2 4.000 . 5.300 3.667 3.667 3.667 . 0 0 "[ ]" 3
194 1 106 VAL MG2 2 58 TYR HE2 4.000 . 5.300 3.959 3.959 3.959 . 0 0 "[ ]" 3
195 1 106 VAL MG2 2 58 TYR HD1 4.000 . 5.300 3.480 3.480 3.480 . 0 0 "[ ]" 3
196 1 106 VAL MG2 2 58 TYR HE1 4.000 . 5.300 3.914 3.914 3.914 . 0 0 "[ ]" 3
197 1 80 PRO QG 2 58 TYR HE2 2.500 . 3.800 2.094 2.094 2.094 . 0 0 "[ ]" 3
198 1 104 MET HA 2 61 VAL MG2 4.000 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 3
199 1 104 MET ME 2 61 VAL MG2 2.500 . 4.800 1.735 1.735 1.735 0.065 1 0 "[ ]" 3
200 1 20 LEU MD2 2 74 ALA MB 4.000 . 6.300 2.377 2.377 2.377 . 0 0 "[ ]" 3
201 1 43 PHE HD2 2 74 ALA MB 3.000 . 4.300 2.400 2.400 2.400 . 0 0 "[ ]" 3
202 1 77 CYS QB 2 79 VAL HA 4.000 . 5.300 3.452 3.452 3.452 . 0 0 "[ ]" 3
203 1 77 CYS QB 2 79 VAL HB 4.000 . 5.300 3.623 3.623 3.623 . 0 0 "[ ]" 3
204 1 77 CYS QB 2 79 VAL MG1 2.500 . 4.800 2.105 2.105 2.105 . 0 0 "[ ]" 3
205 1 112 SER HB3 2 79 VAL MG1 3.000 . 4.300 1.916 1.916 1.916 . 0 0 "[ ]" 3
206 1 112 SER HB2 2 79 VAL MG1 3.000 . 4.300 3.329 3.329 3.329 . 0 0 "[ ]" 3
207 1 112 SER HB3 2 79 VAL MG2 2.500 . 3.800 2.023 2.023 2.023 . 0 0 "[ ]" 3
208 1 112 SER HB2 2 79 VAL MG2 2.500 . 3.800 2.737 2.737 2.737 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.152
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0380
_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 16 CYS 0.049 0.049 1 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 22 ILE 0.000 0.000 . 0 "[ ]"
1 23 ASP 0.000 0.000 . 0 "[ ]"
1 24 PHE 0.069 0.069 1 0 "[ ]"
1 25 ARG 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.069 0.069 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.049 0.049 1 0 "[ ]"
1 57 GLN 0.000 0.000 . 0 "[ ]"
1 58 TYR 0.000 0.000 . 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 LYS 0.011 0.011 1 0 "[ ]"
1 61 VAL 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.000 0.000 . 0 "[ ]"
1 63 ALA 0.000 0.000 . 0 "[ ]"
1 64 LEU 0.011 0.011 1 0 "[ ]"
1 65 TYR 0.000 0.000 . 0 "[ ]"
1 66 ASN 0.000 0.000 . 0 "[ ]"
1 67 GLN 0.000 0.000 . 0 "[ ]"
1 77 CYS 0.023 0.023 1 0 "[ ]"
1 79 VAL 0.000 0.000 . 0 "[ ]"
1 81 GLN 0.000 0.000 . 0 "[ ]"
1 86 LEU 0.000 0.000 . 0 "[ ]"
1 88 ILE 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.000 0.000 . 0 "[ ]"
1 92 VAL 0.000 0.000 . 0 "[ ]"
1 95 LYS 0.000 0.000 . 0 "[ ]"
1 97 LYS 0.000 0.000 . 0 "[ ]"
1 99 GLU 0.000 0.000 . 0 "[ ]"
1 101 LEU 0.000 0.000 . 0 "[ ]"
1 108 SER 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.000 0.000 . 0 "[ ]"
1 112 SER 0.023 0.023 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 ASP O 1 27 ASP N 3.300 2.500 3.700 2.968 2.968 2.968 . 0 0 "[ ]" 4
2 1 23 ASP O 1 27 ASP H 2.300 . 2.700 2.073 2.073 2.073 . 0 0 "[ ]" 4
3 1 24 PHE O 1 28 LEU N 3.300 2.500 3.700 3.259 3.259 3.259 . 0 0 "[ ]" 4
4 1 24 PHE O 1 28 LEU H 2.300 . 2.700 2.769 2.769 2.769 0.069 1 0 "[ ]" 4
5 1 25 ARG O 1 29 GLY N 3.300 2.500 3.700 2.988 2.988 2.988 . 0 0 "[ ]" 4
6 1 25 ARG O 1 29 GLY H 2.300 . 2.700 2.508 2.508 2.508 . 0 0 "[ ]" 4
7 1 57 GLN O 1 61 VAL N 3.300 2.500 3.700 3.352 3.352 3.352 . 0 0 "[ ]" 4
8 1 57 GLN O 1 61 VAL H 2.300 . 2.700 2.393 2.393 2.393 . 0 0 "[ ]" 4
9 1 58 TYR O 1 62 LEU N 3.300 2.500 3.700 3.251 3.251 3.251 . 0 0 "[ ]" 4
10 1 58 TYR O 1 62 LEU H 2.300 . 2.700 2.372 2.372 2.372 . 0 0 "[ ]" 4
11 1 59 SER O 1 63 ALA N 3.300 2.500 3.700 3.340 3.340 3.340 . 0 0 "[ ]" 4
12 1 59 SER O 1 63 ALA H 2.300 . 2.700 2.543 2.543 2.543 . 0 0 "[ ]" 4
13 1 60 LYS O 1 64 LEU N 3.300 2.500 3.700 3.520 3.520 3.520 . 0 0 "[ ]" 4
14 1 60 LYS O 1 64 LEU H 2.300 . 2.700 2.711 2.711 2.711 0.011 1 0 "[ ]" 4
15 1 61 VAL O 1 65 TYR N 3.300 2.500 3.700 2.945 2.945 2.945 . 0 0 "[ ]" 4
16 1 61 VAL O 1 65 TYR H 2.300 . 2.700 2.057 2.057 2.057 . 0 0 "[ ]" 4
17 1 62 LEU O 1 66 ASN N 3.300 2.500 3.700 3.001 3.001 3.001 . 0 0 "[ ]" 4
18 1 62 LEU O 1 66 ASN H 2.300 . 2.700 2.100 2.100 2.100 . 0 0 "[ ]" 4
19 1 63 ALA O 1 67 GLN N 3.300 2.500 3.700 3.302 3.302 3.302 . 0 0 "[ ]" 4
20 1 63 ALA O 1 67 GLN H 2.300 . 2.700 2.390 2.390 2.390 . 0 0 "[ ]" 4
21 1 18 ARG N 1 43 PHE O 3.300 2.500 3.700 2.919 2.919 2.919 . 0 0 "[ ]" 4
22 1 18 ARG H 1 43 PHE O 2.300 . 2.700 2.148 2.148 2.148 . 0 0 "[ ]" 4
23 1 18 ARG O 1 43 PHE N 3.300 2.500 3.700 3.220 3.220 3.220 . 0 0 "[ ]" 4
24 1 18 ARG O 1 43 PHE H 2.300 . 2.700 2.504 2.504 2.504 . 0 0 "[ ]" 4
25 1 22 ILE N 1 39 TYR O 3.300 2.500 3.700 2.996 2.996 2.996 . 0 0 "[ ]" 4
26 1 22 ILE H 1 39 TYR O 2.300 . 2.700 2.093 2.093 2.093 . 0 0 "[ ]" 4
27 1 22 ILE O 1 39 TYR N 3.300 2.500 3.700 3.219 3.219 3.219 . 0 0 "[ ]" 4
28 1 22 ILE O 1 39 TYR H 2.300 . 2.700 2.506 2.506 2.506 . 0 0 "[ ]" 4
29 1 16 CYS O 1 45 LEU N 3.300 2.500 3.700 3.677 3.677 3.677 . 0 0 "[ ]" 4
30 1 16 CYS O 1 45 LEU H 2.300 . 2.700 2.749 2.749 2.749 0.049 1 0 "[ ]" 4
31 1 77 CYS O 1 112 SER N 3.300 2.500 3.700 3.538 3.538 3.538 . 0 0 "[ ]" 4
32 1 77 CYS O 1 112 SER H 2.300 . 2.700 2.723 2.723 2.723 0.023 1 0 "[ ]" 4
33 1 79 VAL N 1 110 LYS O 3.300 2.500 3.700 3.346 3.346 3.346 . 0 0 "[ ]" 4
34 1 79 VAL H 1 110 LYS O 2.300 . 2.700 2.528 2.528 2.528 . 0 0 "[ ]" 4
35 1 79 VAL O 1 110 LYS N 3.300 2.500 3.700 2.623 2.623 2.623 . 0 0 "[ ]" 4
36 1 79 VAL O 1 110 LYS H 2.300 . 2.700 2.030 2.030 2.030 . 0 0 "[ ]" 4
37 1 81 GLN N 1 108 SER O 3.300 2.500 3.700 2.729 2.729 2.729 . 0 0 "[ ]" 4
38 1 81 GLN H 1 108 SER O 2.300 . 2.700 2.094 2.094 2.094 . 0 0 "[ ]" 4
39 1 86 LEU N 1 101 LEU O 3.300 2.500 3.700 2.676 2.676 2.676 . 0 0 "[ ]" 4
40 1 86 LEU H 1 101 LEU O 2.300 . 2.700 2.102 2.102 2.102 . 0 0 "[ ]" 4
41 1 86 LEU O 1 101 LEU N 3.300 2.500 3.700 2.708 2.708 2.708 . 0 0 "[ ]" 4
42 1 86 LEU O 1 101 LEU H 2.300 . 2.700 2.067 2.067 2.067 . 0 0 "[ ]" 4
43 1 88 ILE N 1 99 GLU O 3.300 2.500 3.700 3.104 3.104 3.104 . 0 0 "[ ]" 4
44 1 88 ILE H 1 99 GLU O 2.300 . 2.700 2.261 2.261 2.261 . 0 0 "[ ]" 4
45 1 88 ILE O 1 99 GLU N 3.300 2.500 3.700 3.394 3.394 3.394 . 0 0 "[ ]" 4
46 1 88 ILE O 1 99 GLU H 2.300 . 2.700 2.611 2.611 2.611 . 0 0 "[ ]" 4
47 1 90 TYR N 1 97 LYS O 3.300 2.500 3.700 3.143 3.143 3.143 . 0 0 "[ ]" 4
48 1 90 TYR H 1 97 LYS O 2.300 . 2.700 2.221 2.221 2.221 . 0 0 "[ ]" 4
49 1 90 TYR O 1 97 LYS N 3.300 2.500 3.700 3.053 3.053 3.053 . 0 0 "[ ]" 4
50 1 90 TYR O 1 97 LYS H 2.300 . 2.700 2.088 2.088 2.088 . 0 0 "[ ]" 4
51 1 92 VAL N 1 95 LYS O 3.300 2.500 3.700 3.026 3.026 3.026 . 0 0 "[ ]" 4
52 1 92 VAL H 1 95 LYS O 2.300 . 2.700 2.064 2.064 2.064 . 0 0 "[ ]" 4
53 1 92 VAL O 1 95 LYS N 3.300 2.500 3.700 3.255 3.255 3.255 . 0 0 "[ ]" 4
54 1 92 VAL O 1 95 LYS H 2.300 . 2.700 2.295 2.295 2.295 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.176
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0440
_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
2 16 CYS 0.056 0.056 1 0 "[ ]"
2 18 ARG 0.000 0.000 . 0 "[ ]"
2 22 ILE 0.000 0.000 . 0 "[ ]"
2 23 ASP 0.000 0.000 . 0 "[ ]"
2 24 PHE 0.070 0.070 1 0 "[ ]"
2 25 ARG 0.000 0.000 . 0 "[ ]"
2 27 ASP 0.000 0.000 . 0 "[ ]"
2 28 LEU 0.070 0.070 1 0 "[ ]"
2 29 GLY 0.000 0.000 . 0 "[ ]"
2 39 TYR 0.000 0.000 . 0 "[ ]"
2 43 PHE 0.000 0.000 . 0 "[ ]"
2 45 LEU 0.056 0.056 1 0 "[ ]"
2 57 GLN 0.000 0.000 . 0 "[ ]"
2 58 TYR 0.000 0.000 . 0 "[ ]"
2 59 SER 0.000 0.000 . 0 "[ ]"
2 60 LYS 0.010 0.010 1 0 "[ ]"
2 61 VAL 0.000 0.000 . 0 "[ ]"
2 62 LEU 0.000 0.000 . 0 "[ ]"
2 63 ALA 0.000 0.000 . 0 "[ ]"
2 64 LEU 0.010 0.010 1 0 "[ ]"
2 65 TYR 0.000 0.000 . 0 "[ ]"
2 66 ASN 0.000 0.000 . 0 "[ ]"
2 67 GLN 0.000 0.000 . 0 "[ ]"
2 77 CYS 0.040 0.040 1 0 "[ ]"
2 79 VAL 0.000 0.000 . 0 "[ ]"
2 81 GLN 0.000 0.000 . 0 "[ ]"
2 86 LEU 0.000 0.000 . 0 "[ ]"
2 88 ILE 0.000 0.000 . 0 "[ ]"
2 90 TYR 0.000 0.000 . 0 "[ ]"
2 92 VAL 0.000 0.000 . 0 "[ ]"
2 95 LYS 0.000 0.000 . 0 "[ ]"
2 97 LYS 0.000 0.000 . 0 "[ ]"
2 99 GLU 0.000 0.000 . 0 "[ ]"
2 101 LEU 0.000 0.000 . 0 "[ ]"
2 108 SER 0.000 0.000 . 0 "[ ]"
2 110 LYS 0.000 0.000 . 0 "[ ]"
2 112 SER 0.040 0.040 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 23 ASP O 2 27 ASP N 3.300 2.500 3.700 2.968 2.968 2.968 . 0 0 "[ ]" 5
2 2 23 ASP O 2 27 ASP H 2.300 . 2.700 2.073 2.073 2.073 . 0 0 "[ ]" 5
3 2 24 PHE O 2 28 LEU N 3.300 2.500 3.700 3.259 3.259 3.259 . 0 0 "[ ]" 5
4 2 24 PHE O 2 28 LEU H 2.300 . 2.700 2.770 2.770 2.770 0.070 1 0 "[ ]" 5
5 2 25 ARG O 2 29 GLY N 3.300 2.500 3.700 2.987 2.987 2.987 . 0 0 "[ ]" 5
6 2 25 ARG O 2 29 GLY H 2.300 . 2.700 2.507 2.507 2.507 . 0 0 "[ ]" 5
7 2 57 GLN O 2 61 VAL N 3.300 2.500 3.700 3.351 3.351 3.351 . 0 0 "[ ]" 5
8 2 57 GLN O 2 61 VAL H 2.300 . 2.700 2.393 2.393 2.393 . 0 0 "[ ]" 5
9 2 58 TYR O 2 62 LEU N 3.300 2.500 3.700 3.248 3.248 3.248 . 0 0 "[ ]" 5
10 2 58 TYR O 2 62 LEU H 2.300 . 2.700 2.368 2.368 2.368 . 0 0 "[ ]" 5
11 2 59 SER O 2 63 ALA N 3.300 2.500 3.700 3.337 3.337 3.337 . 0 0 "[ ]" 5
12 2 59 SER O 2 63 ALA H 2.300 . 2.700 2.539 2.539 2.539 . 0 0 "[ ]" 5
13 2 60 LYS O 2 64 LEU N 3.300 2.500 3.700 3.518 3.518 3.518 . 0 0 "[ ]" 5
14 2 60 LYS O 2 64 LEU H 2.300 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 5
15 2 61 VAL O 2 65 TYR N 3.300 2.500 3.700 2.945 2.945 2.945 . 0 0 "[ ]" 5
16 2 61 VAL O 2 65 TYR H 2.300 . 2.700 2.057 2.057 2.057 . 0 0 "[ ]" 5
17 2 62 LEU O 2 66 ASN N 3.300 2.500 3.700 3.000 3.000 3.000 . 0 0 "[ ]" 5
18 2 62 LEU O 2 66 ASN H 2.300 . 2.700 2.101 2.101 2.101 . 0 0 "[ ]" 5
19 2 63 ALA O 2 67 GLN N 3.300 2.500 3.700 3.302 3.302 3.302 . 0 0 "[ ]" 5
20 2 63 ALA O 2 67 GLN H 2.300 . 2.700 2.390 2.390 2.390 . 0 0 "[ ]" 5
21 2 18 ARG N 2 43 PHE O 3.300 2.500 3.700 2.887 2.887 2.887 . 0 0 "[ ]" 5
22 2 18 ARG H 2 43 PHE O 2.300 . 2.700 2.102 2.102 2.102 . 0 0 "[ ]" 5
23 2 18 ARG O 2 43 PHE N 3.300 2.500 3.700 3.220 3.220 3.220 . 0 0 "[ ]" 5
24 2 18 ARG O 2 43 PHE H 2.300 . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 5
25 2 22 ILE N 2 39 TYR O 3.300 2.500 3.700 2.996 2.996 2.996 . 0 0 "[ ]" 5
26 2 22 ILE H 2 39 TYR O 2.300 . 2.700 2.094 2.094 2.094 . 0 0 "[ ]" 5
27 2 22 ILE O 2 39 TYR N 3.300 2.500 3.700 3.219 3.219 3.219 . 0 0 "[ ]" 5
28 2 22 ILE O 2 39 TYR H 2.300 . 2.700 2.506 2.506 2.506 . 0 0 "[ ]" 5
29 2 16 CYS O 2 45 LEU N 3.300 2.500 3.700 3.679 3.679 3.679 . 0 0 "[ ]" 5
30 2 16 CYS O 2 45 LEU H 2.300 . 2.700 2.756 2.756 2.756 0.056 1 0 "[ ]" 5
31 2 77 CYS O 2 112 SER N 3.300 2.500 3.700 3.503 3.503 3.503 . 0 0 "[ ]" 5
32 2 77 CYS O 2 112 SER H 2.300 . 2.700 2.740 2.740 2.740 0.040 1 0 "[ ]" 5
33 2 79 VAL N 2 110 LYS O 3.300 2.500 3.700 3.342 3.342 3.342 . 0 0 "[ ]" 5
34 2 79 VAL H 2 110 LYS O 2.300 . 2.700 2.523 2.523 2.523 . 0 0 "[ ]" 5
35 2 79 VAL O 2 110 LYS N 3.300 2.500 3.700 2.502 2.502 2.502 . 0 0 "[ ]" 5
36 2 79 VAL O 2 110 LYS H 2.300 . 2.700 2.058 2.058 2.058 . 0 0 "[ ]" 5
37 2 81 GLN N 2 108 SER O 3.300 2.500 3.700 2.737 2.737 2.737 . 0 0 "[ ]" 5
38 2 81 GLN H 2 108 SER O 2.300 . 2.700 2.104 2.104 2.104 . 0 0 "[ ]" 5
39 2 86 LEU N 2 101 LEU O 3.300 2.500 3.700 2.677 2.677 2.677 . 0 0 "[ ]" 5
40 2 86 LEU H 2 101 LEU O 2.300 . 2.700 2.101 2.101 2.101 . 0 0 "[ ]" 5
41 2 86 LEU O 2 101 LEU N 3.300 2.500 3.700 2.707 2.707 2.707 . 0 0 "[ ]" 5
42 2 86 LEU O 2 101 LEU H 2.300 . 2.700 2.067 2.067 2.067 . 0 0 "[ ]" 5
43 2 88 ILE N 2 99 GLU O 3.300 2.500 3.700 3.103 3.103 3.103 . 0 0 "[ ]" 5
44 2 88 ILE H 2 99 GLU O 2.300 . 2.700 2.260 2.260 2.260 . 0 0 "[ ]" 5
45 2 88 ILE O 2 99 GLU N 3.300 2.500 3.700 3.394 3.394 3.394 . 0 0 "[ ]" 5
46 2 88 ILE O 2 99 GLU H 2.300 . 2.700 2.611 2.611 2.611 . 0 0 "[ ]" 5
47 2 90 TYR N 2 97 LYS O 3.300 2.500 3.700 3.140 3.140 3.140 . 0 0 "[ ]" 5
48 2 90 TYR H 2 97 LYS O 2.300 . 2.700 2.219 2.219 2.219 . 0 0 "[ ]" 5
49 2 90 TYR O 2 97 LYS N 3.300 2.500 3.700 3.054 3.054 3.054 . 0 0 "[ ]" 5
50 2 90 TYR O 2 97 LYS H 2.300 . 2.700 2.089 2.089 2.089 . 0 0 "[ ]" 5
51 2 92 VAL N 2 95 LYS O 3.300 2.500 3.700 3.026 3.026 3.026 . 0 0 "[ ]" 5
52 2 92 VAL H 2 95 LYS O 2.300 . 2.700 2.064 2.064 2.064 . 0 0 "[ ]" 5
53 2 92 VAL O 2 95 LYS N 3.300 2.500 3.700 3.255 3.255 3.255 . 0 0 "[ ]" 5
54 2 92 VAL O 2 95 LYS H 2.300 . 2.700 2.296 2.296 2.296 . 0 0 "[ ]" 5
stop_
save_
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