NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571842 |
2m87   |
19231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m87
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 890
_Distance_constraint_stats_list.Viol_count 1037
_Distance_constraint_stats_list.Viol_total 802.848
_Distance_constraint_stats_list.Viol_max 0.248
_Distance_constraint_stats_list.Viol_rms 0.0182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0516
_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 ASN 0.139 0.041 14 0 "[ . 1 .]"
1 2 GLN 0.305 0.161 8 0 "[ . 1 .]"
1 3 GLY 0.356 0.161 8 0 "[ . 1 .]"
1 4 ASP 0.136 0.033 9 0 "[ . 1 .]"
1 5 ASN 0.375 0.054 15 0 "[ . 1 .]"
1 6 GLU 0.326 0.054 15 0 "[ . 1 .]"
1 7 ILE 0.086 0.086 15 0 "[ . 1 .]"
1 8 SER 1.668 0.129 6 0 "[ . 1 .]"
1 9 VAL 0.215 0.061 15 0 "[ . 1 .]"
1 10 GLY 0.028 0.016 12 0 "[ . 1 .]"
1 11 ASN 0.012 0.012 2 0 "[ . 1 .]"
1 12 LEU 1.903 0.183 15 0 "[ . 1 .]"
1 13 ARG 1.264 0.162 5 0 "[ . 1 .]"
1 14 LEU 0.737 0.093 1 0 "[ . 1 .]"
1 15 ASN 0.631 0.080 11 0 "[ . 1 .]"
1 16 VAL 1.415 0.078 7 0 "[ . 1 .]"
1 17 THR 4.130 0.085 13 0 "[ . 1 .]"
1 18 ARG 1.288 0.078 7 0 "[ . 1 .]"
1 19 ARG 1.016 0.085 13 0 "[ . 1 .]"
1 20 LEU 2.357 0.179 1 0 "[ . 1 .]"
1 21 VAL 1.008 0.090 12 0 "[ . 1 .]"
1 22 TRP 1.223 0.162 5 0 "[ . 1 .]"
1 23 LEU 2.195 0.165 1 0 "[ . 1 .]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 25 GLU 0.121 0.026 3 0 "[ . 1 .]"
1 26 THR 2.895 0.165 1 0 "[ . 1 .]"
1 27 ALA 0.764 0.098 11 0 "[ . 1 .]"
1 28 LEU 0.289 0.060 11 0 "[ . 1 .]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 30 LEU 1.863 0.193 2 0 "[ . 1 .]"
1 31 THR 0.555 0.072 10 0 "[ . 1 .]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 33 LYS 0.134 0.033 5 0 "[ . 1 .]"
1 34 GLU 0.026 0.012 9 0 "[ . 1 .]"
1 35 TYR 0.007 0.007 6 0 "[ . 1 .]"
1 36 ALA 0.149 0.041 6 0 "[ . 1 .]"
1 37 LEU 0.282 0.081 2 0 "[ . 1 .]"
1 38 LEU 0.107 0.041 6 0 "[ . 1 .]"
1 39 SER 0.040 0.026 6 0 "[ . 1 .]"
1 40 ARG 1.367 0.097 6 0 "[ . 1 .]"
1 41 LEU 0.076 0.026 3 0 "[ . 1 .]"
1 42 MET 0.462 0.054 10 0 "[ . 1 .]"
1 43 MET 0.915 0.054 10 0 "[ . 1 .]"
1 44 LYS 0.671 0.068 3 0 "[ . 1 .]"
1 45 ALA 1.012 0.087 1 0 "[ . 1 .]"
1 46 GLY 0.143 0.098 11 0 "[ . 1 .]"
1 47 SER 0.178 0.053 6 0 "[ . 1 .]"
1 48 PRO 0.171 0.057 8 0 "[ . 1 .]"
1 49 VAL 3.632 0.181 8 0 "[ . 1 .]"
1 50 HIS 0.705 0.037 11 0 "[ . 1 .]"
1 51 ARG 0.059 0.059 14 0 "[ . 1 .]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 53 ILE 0.590 0.117 13 0 "[ . 1 .]"
1 54 LEU 1.078 0.097 6 0 "[ . 1 .]"
1 55 TYR 1.052 0.075 1 0 "[ . 1 .]"
1 56 ASN 1.178 0.077 1 0 "[ . 1 .]"
1 57 ASP 1.975 0.117 13 0 "[ . 1 .]"
1 58 ILE 1.963 0.103 4 0 "[ . 1 .]"
1 59 TYR 0.991 0.105 5 0 "[ . 1 .]"
1 60 SER 0.456 0.073 15 0 "[ . 1 .]"
1 61 TRP 0.703 0.105 5 0 "[ . 1 .]"
1 62 ASP 0.415 0.071 2 0 "[ . 1 .]"
1 63 ASN 0.593 0.071 2 0 "[ . 1 .]"
1 64 GLU 0.245 0.063 11 0 "[ . 1 .]"
1 65 PRO 0.039 0.039 13 0 "[ . 1 .]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 67 THR 0.048 0.022 12 0 "[ . 1 .]"
1 68 ASN 0.076 0.022 12 0 "[ . 1 .]"
1 69 THR 0.983 0.065 11 0 "[ . 1 .]"
1 70 LEU 1.657 0.173 7 0 "[ . 1 .]"
1 71 GLU 0.487 0.060 1 0 "[ . 1 .]"
1 72 VAL 4.521 0.167 5 0 "[ . 1 .]"
1 73 HIS 0.651 0.061 14 0 "[ . 1 .]"
1 74 ILE 3.096 0.167 5 0 "[ . 1 .]"
1 75 HIS 3.708 0.157 15 0 "[ . 1 .]"
1 76 ASN 1.244 0.091 5 0 "[ . 1 .]"
1 77 LEU 2.645 0.110 5 0 "[ . 1 .]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 79 GLU 0.323 0.053 4 0 "[ . 1 .]"
1 80 LYS 1.526 0.141 15 0 "[ . 1 .]"
1 81 ILE 1.502 0.203 9 0 "[ . 1 .]"
1 82 GLY 0.012 0.012 1 0 "[ . 1 .]"
1 83 LYS 1.245 0.203 9 0 "[ . 1 .]"
1 84 SER 1.309 0.136 6 0 "[ . 1 .]"
1 85 ARG 1.672 0.136 6 0 "[ . 1 .]"
1 86 ILE 0.460 0.248 9 0 "[ . 1 .]"
1 87 ARG 0.262 0.093 4 0 "[ . 1 .]"
1 88 THR 0.016 0.016 15 0 "[ . 1 .]"
1 89 VAL 0.323 0.044 7 0 "[ . 1 .]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 92 PHE 2.781 0.178 3 0 "[ . 1 .]"
1 93 GLY 0.323 0.044 7 0 "[ . 1 .]"
1 94 TYR 0.220 0.057 8 0 "[ . 1 .]"
1 95 MET 0.436 0.093 4 0 "[ . 1 .]"
1 96 LEU 1.195 0.132 11 0 "[ . 1 .]"
1 97 ALA 0.091 0.035 1 0 "[ . 1 .]"
1 98 ASN 0.338 0.098 11 0 "[ . 1 .]"
1 99 ASN 0.408 0.064 12 0 "[ . 1 .]"
1 100 ILE 2.093 0.160 7 0 "[ . 1 .]"
1 101 ASP 2.109 0.160 7 0 "[ . 1 .]"
1 102 THR 0.269 0.051 1 0 "[ . 1 .]"
1 103 GLU 0.026 0.024 8 0 "[ . 1 .]"
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 ASN HA 1 2 GLN H 2.000 . 3.500 2.898 2.189 3.511 0.011 3 0 "[ . 1 .]" 1
2 1 1 ASN QB 1 2 GLN H 2.000 . 5.500 3.082 1.932 3.877 . 0 0 "[ . 1 .]" 1
3 1 2 GLN H 1 2 GLN QB 2.000 . 5.500 2.744 2.275 3.334 . 0 0 "[ . 1 .]" 1
4 1 2 GLN H 1 2 GLN QG 2.000 . 6.500 2.888 1.824 4.408 . 0 0 "[ . 1 .]" 1
5 1 1 ASN HA 1 3 GLY H 2.000 . 4.000 3.772 3.194 4.041 0.041 14 0 "[ . 1 .]" 1
6 1 1 ASN QB 1 3 GLY H 2.000 . 6.500 4.392 2.860 5.496 . 0 0 "[ . 1 .]" 1
7 1 2 GLN HA 1 3 GLY H 2.000 . 2.800 2.703 2.551 2.961 0.161 8 0 "[ . 1 .]" 1
8 1 2 GLN QB 1 3 GLY H 2.000 . 5.000 3.935 3.743 4.054 . 0 0 "[ . 1 .]" 1
9 1 2 GLN QG 1 3 GLY H 2.000 . 6.000 4.400 3.760 4.838 . 0 0 "[ . 1 .]" 1
10 1 3 GLY H 1 4 ASP H 2.000 . 5.000 2.268 1.767 2.821 0.033 9 0 "[ . 1 .]" 1
11 1 1 ASN HA 1 4 ASP H 2.000 . 5.000 4.196 3.123 5.015 0.015 8 0 "[ . 1 .]" 1
12 1 2 GLN HA 1 4 ASP H 2.000 . 4.500 4.206 3.634 4.526 0.026 13 0 "[ . 1 .]" 1
13 1 3 GLY QA 1 4 ASP H 2.000 . 4.000 2.835 2.751 2.903 . 0 0 "[ . 1 .]" 1
14 1 4 ASP H 1 4 ASP QB 2.000 . 4.000 2.929 2.497 3.406 . 0 0 "[ . 1 .]" 1
15 1 4 ASP HA 1 5 ASN H 2.000 . 3.500 2.388 2.200 2.615 . 0 0 "[ . 1 .]" 1
16 1 4 ASP QB 1 5 ASN H 2.000 . 4.500 3.113 2.149 4.054 . 0 0 "[ . 1 .]" 1
17 1 5 ASN H 1 5 ASN QB 2.000 . 5.000 2.961 2.797 3.442 . 0 0 "[ . 1 .]" 1
18 1 5 ASN H 1 6 GLU H 2.000 . 4.000 3.948 3.604 4.054 0.054 15 0 "[ . 1 .]" 1
19 1 5 ASN H 1 15 ASN HA 2.000 . 5.500 5.331 5.189 5.515 0.015 8 0 "[ . 1 .]" 1
20 1 5 ASN H 1 16 VAL HB 2.000 . 5.500 4.562 4.257 4.962 . 0 0 "[ . 1 .]" 1
21 1 5 ASN H 1 17 THR HA 2.000 . 5.000 4.466 4.085 5.034 0.034 8 0 "[ . 1 .]" 1
22 1 5 ASN H 1 17 THR MG 2.000 . 7.000 2.247 1.944 2.573 . 0 0 "[ . 1 .]" 1
23 1 5 ASN HA 1 6 GLU H 2.000 . 2.800 2.193 2.168 2.247 . 0 0 "[ . 1 .]" 1
24 1 5 ASN QB 1 6 GLU H 2.000 . 4.500 3.640 3.278 4.001 . 0 0 "[ . 1 .]" 1
25 1 6 GLU H 1 6 GLU QB 2.000 . 4.500 3.237 2.702 3.314 . 0 0 "[ . 1 .]" 1
26 1 6 GLU H 1 6 GLU QG 2.000 . 4.500 2.528 2.357 4.082 . 0 0 "[ . 1 .]" 1
27 1 6 GLU H 1 7 ILE H 2.000 . 5.000 4.361 4.349 4.373 . 0 0 "[ . 1 .]" 1
28 1 6 GLU HA 1 15 ASN HA 2.000 . 4.000 2.659 2.499 2.796 . 0 0 "[ . 1 .]" 1
29 1 6 GLU HA 1 7 ILE H 2.000 . 2.800 2.343 2.277 2.370 . 0 0 "[ . 1 .]" 1
30 1 6 GLU QB 1 7 ILE H 2.000 . 4.500 2.713 2.590 3.586 . 0 0 "[ . 1 .]" 1
31 1 6 GLU QG 1 7 ILE H 2.000 . 5.000 3.716 2.277 4.271 . 0 0 "[ . 1 .]" 1
32 1 7 ILE H 1 7 ILE HB 2.000 . 4.000 3.852 2.847 3.958 . 0 0 "[ . 1 .]" 1
33 1 7 ILE H 1 7 ILE QG 2.000 . 4.500 2.297 2.219 2.833 . 0 0 "[ . 1 .]" 1
34 1 7 ILE H 1 7 ILE MD 2.000 . 6.500 3.988 3.955 4.040 . 0 0 "[ . 1 .]" 1
35 1 7 ILE H 1 7 ILE MG 2.000 . 8.000 3.180 3.069 3.966 . 0 0 "[ . 1 .]" 1
36 1 7 ILE H 1 8 SER H 2.000 . 4.500 4.427 4.415 4.437 . 0 0 "[ . 1 .]" 1
37 1 7 ILE H 1 13 ARG HA 2.000 . 5.500 5.048 4.855 5.195 . 0 0 "[ . 1 .]" 1
38 1 7 ILE H 1 14 LEU H 2.000 . 3.500 3.224 3.053 3.425 . 0 0 "[ . 1 .]" 1
39 1 7 ILE H 1 16 VAL H 2.000 . 5.500 4.540 4.398 4.805 . 0 0 "[ . 1 .]" 1
40 1 7 ILE H 1 16 VAL QG 2.000 . 8.000 4.366 4.119 4.624 . 0 0 "[ . 1 .]" 1
41 1 7 ILE HA 1 8 SER H 2.000 . 2.800 2.425 2.369 2.454 . 0 0 "[ . 1 .]" 1
42 1 7 ILE HB 1 8 SER H 2.000 . 3.500 2.586 2.486 3.586 0.086 15 0 "[ . 1 .]" 1
43 1 7 ILE QG 1 8 SER H 2.000 . 4.500 3.646 3.513 4.062 . 0 0 "[ . 1 .]" 1
44 1 7 ILE MG 1 8 SER H 2.000 . 5.500 3.613 1.955 3.805 . 0 0 "[ . 1 .]" 1
45 1 8 SER H 1 8 SER QB 2.000 . 4.500 2.779 2.568 3.080 . 0 0 "[ . 1 .]" 1
46 1 8 SER H 1 13 ARG HA 2.000 . 5.500 4.998 4.894 5.105 . 0 0 "[ . 1 .]" 1
47 1 8 SER HA 1 13 ARG HA 2.000 . 3.500 2.356 2.334 2.402 . 0 0 "[ . 1 .]" 1
48 1 8 SER QB 1 13 ARG HA 2.000 . 5.500 3.064 2.664 3.642 . 0 0 "[ . 1 .]" 1
49 1 8 SER HA 1 9 VAL H 2.000 . 2.800 2.265 2.168 2.336 . 0 0 "[ . 1 .]" 1
50 1 8 SER QB 1 9 VAL H 2.000 . 4.000 2.952 2.557 3.604 . 0 0 "[ . 1 .]" 1
51 1 9 VAL H 1 9 VAL HB 2.000 . 3.500 2.983 2.670 3.497 . 0 0 "[ . 1 .]" 1
52 1 9 VAL H 1 9 VAL QG 2.000 . 6.500 2.702 2.199 2.921 . 0 0 "[ . 1 .]" 1
53 1 9 VAL H 1 10 GLY H 2.000 . 5.500 3.718 3.630 3.847 . 0 0 "[ . 1 .]" 1
54 1 9 VAL H 1 12 LEU H 2.000 . 4.500 3.278 3.169 3.429 . 0 0 "[ . 1 .]" 1
55 1 9 VAL H 1 12 LEU QB 2.000 . 5.500 3.105 2.920 3.279 . 0 0 "[ . 1 .]" 1
56 1 9 VAL H 1 13 ARG HA 2.000 . 3.800 3.653 3.507 3.730 . 0 0 "[ . 1 .]" 1
57 1 9 VAL H 1 13 ARG QB 2.000 . 6.000 5.399 4.994 5.453 . 0 0 "[ . 1 .]" 1
58 1 9 VAL H 1 13 ARG QG 2.000 . 6.500 4.307 4.042 5.553 . 0 0 "[ . 1 .]" 1
59 1 9 VAL H 1 14 LEU H 2.000 . 5.000 4.842 4.100 5.061 0.061 15 0 "[ . 1 .]" 1
60 1 9 VAL HA 1 10 GLY H 2.000 . 2.800 2.260 2.210 2.291 . 0 0 "[ . 1 .]" 1
61 1 9 VAL HB 1 10 GLY H 2.000 . 5.000 4.444 4.417 4.500 . 0 0 "[ . 1 .]" 1
62 1 9 VAL QG 1 10 GLY H 2.000 . 7.000 3.283 3.166 3.363 . 0 0 "[ . 1 .]" 1
63 1 10 GLY H 1 11 ASN H 2.000 . 4.500 4.446 4.385 4.512 0.012 2 0 "[ . 1 .]" 1
64 1 10 GLY H 1 99 ASN HA 2.000 . 5.500 4.910 4.004 5.516 0.016 12 0 "[ . 1 .]" 1
65 1 10 GLY QA 1 11 ASN H 2.000 . 3.500 2.161 2.154 2.173 . 0 0 "[ . 1 .]" 1
66 1 11 ASN H 1 11 ASN QB 2.000 . 4.500 2.654 2.374 2.964 . 0 0 "[ . 1 .]" 1
67 1 11 ASN H 1 12 LEU H 2.000 . 3.500 2.365 2.231 2.509 . 0 0 "[ . 1 .]" 1
68 1 11 ASN H 1 12 LEU QB 2.000 . 5.500 4.288 3.805 4.519 . 0 0 "[ . 1 .]" 1
69 1 11 ASN H 1 12 LEU QD 2.000 . 8.000 3.327 2.370 5.113 . 0 0 "[ . 1 .]" 1
70 1 11 ASN H 1 99 ASN HA 2.000 . 5.500 5.209 4.232 5.499 . 0 0 "[ . 1 .]" 1
71 1 8 SER HA 1 12 LEU H 2.000 . 5.000 5.105 5.064 5.129 0.129 6 0 "[ . 1 .]" 1
72 1 9 VAL HA 1 12 LEU H 2.000 . 5.500 4.989 4.869 5.046 . 0 0 "[ . 1 .]" 1
73 1 10 GLY QA 1 12 LEU H 2.000 . 4.500 3.417 3.325 3.494 . 0 0 "[ . 1 .]" 1
74 1 11 ASN HA 1 12 LEU H 2.000 . 3.500 3.256 3.186 3.296 . 0 0 "[ . 1 .]" 1
75 1 11 ASN QB 1 12 LEU H 2.000 . 5.000 3.692 3.428 3.945 . 0 0 "[ . 1 .]" 1
76 1 12 LEU H 1 12 LEU QB 2.000 . 3.500 2.500 2.235 2.659 . 0 0 "[ . 1 .]" 1
77 1 12 LEU H 1 12 LEU HG 2.000 . 4.000 2.934 2.088 4.183 0.183 15 0 "[ . 1 .]" 1
78 1 12 LEU H 1 12 LEU QD 2.000 . 6.500 2.781 2.025 3.808 . 0 0 "[ . 1 .]" 1
79 1 12 LEU HA 1 23 LEU HA 2.000 . 4.000 3.167 2.862 3.450 . 0 0 "[ . 1 .]" 1
80 1 12 LEU HA 1 13 ARG H 2.000 . 2.800 2.179 2.156 2.217 . 0 0 "[ . 1 .]" 1
81 1 12 LEU QB 1 13 ARG H 2.000 . 4.000 3.371 3.179 3.782 . 0 0 "[ . 1 .]" 1
82 1 12 LEU QD 1 13 ARG H 2.000 . 6.500 3.828 1.958 4.277 . 0 0 "[ . 1 .]" 1
83 1 13 ARG H 1 13 ARG QB 2.000 . 3.500 2.487 2.333 2.677 . 0 0 "[ . 1 .]" 1
84 1 13 ARG H 1 13 ARG QG 2.000 . 6.500 2.989 2.487 4.012 . 0 0 "[ . 1 .]" 1
85 1 13 ARG H 1 13 ARG QD 2.000 . 5.500 4.211 2.913 4.732 . 0 0 "[ . 1 .]" 1
86 1 13 ARG H 1 22 TRP QB 2.000 . 5.000 2.901 2.508 3.246 . 0 0 "[ . 1 .]" 1
87 1 13 ARG H 1 22 TRP H 2.000 . 3.500 2.887 2.709 3.056 . 0 0 "[ . 1 .]" 1
88 1 13 ARG H 1 23 LEU HA 2.000 . 4.500 4.398 4.045 4.525 0.025 2 0 "[ . 1 .]" 1
89 1 8 SER HA 1 14 LEU H 2.000 . 3.500 2.984 2.734 3.286 . 0 0 "[ . 1 .]" 1
90 1 8 SER QB 1 14 LEU H 2.000 . 6.500 4.216 3.672 4.880 . 0 0 "[ . 1 .]" 1
91 1 13 ARG HA 1 14 LEU H 2.000 . 2.800 2.191 2.160 2.277 . 0 0 "[ . 1 .]" 1
92 1 13 ARG QB 1 14 LEU H 2.000 . 4.500 3.294 2.923 3.773 . 0 0 "[ . 1 .]" 1
93 1 13 ARG QG 1 14 LEU H 2.000 . 6.000 3.987 2.661 4.308 . 0 0 "[ . 1 .]" 1
94 1 14 LEU H 1 14 LEU QB 2.000 . 3.500 2.422 2.330 2.532 . 0 0 "[ . 1 .]" 1
95 1 14 LEU H 1 14 LEU HG 2.000 . 4.500 4.350 3.948 4.593 0.093 1 0 "[ . 1 .]" 1
96 1 14 LEU H 1 14 LEU QD 2.000 . 6.500 3.487 2.339 3.961 . 0 0 "[ . 1 .]" 1
97 1 14 LEU HA 1 21 VAL HA 2.000 . 4.500 2.706 2.375 2.924 . 0 0 "[ . 1 .]" 1
98 1 14 LEU HA 1 15 ASN H 2.000 . 2.800 2.201 2.149 2.259 . 0 0 "[ . 1 .]" 1
99 1 14 LEU QB 1 15 ASN H 2.000 . 4.500 3.585 3.001 3.896 . 0 0 "[ . 1 .]" 1
100 1 14 LEU HG 1 15 ASN H 2.000 . 4.000 3.265 2.219 4.046 0.046 13 0 "[ . 1 .]" 1
101 1 14 LEU QD 1 15 ASN H 2.000 . 7.000 3.034 1.814 4.193 . 0 0 "[ . 1 .]" 1
102 1 15 ASN H 1 15 ASN QB 2.000 . 3.500 2.546 2.432 2.784 . 0 0 "[ . 1 .]" 1
103 1 15 ASN H 1 16 VAL H 2.000 . 5.500 3.963 3.847 4.218 . 0 0 "[ . 1 .]" 1
104 1 15 ASN H 1 16 VAL QG 2.000 . 7.500 4.300 4.031 4.627 . 0 0 "[ . 1 .]" 1
105 1 15 ASN H 1 20 LEU H 2.000 . 3.500 3.018 2.874 3.173 . 0 0 "[ . 1 .]" 1
106 1 15 ASN H 1 21 VAL HA 2.000 . 3.500 3.525 3.467 3.580 0.080 11 0 "[ . 1 .]" 1
107 1 6 GLU QB 1 16 VAL H 2.000 . 5.000 3.415 3.242 4.179 . 0 0 "[ . 1 .]" 1
108 1 14 LEU QB 1 16 VAL H 2.000 . 6.500 4.708 4.189 5.118 . 0 0 "[ . 1 .]" 1
109 1 15 ASN HA 1 16 VAL H 2.000 . 2.800 2.235 2.214 2.256 . 0 0 "[ . 1 .]" 1
110 1 15 ASN QB 1 16 VAL H 2.000 . 5.500 3.702 3.599 3.765 . 0 0 "[ . 1 .]" 1
111 1 16 VAL H 1 16 VAL HB 2.000 . 2.800 2.579 2.501 2.645 . 0 0 "[ . 1 .]" 1
112 1 16 VAL H 1 16 VAL QG 2.000 . 6.500 1.981 1.909 2.096 . 0 0 "[ . 1 .]" 1
113 1 16 VAL H 1 17 THR H 2.000 . 2.800 2.504 2.456 2.579 . 0 0 "[ . 1 .]" 1
114 1 16 VAL H 1 18 ARG H 2.000 . 4.500 4.545 4.505 4.578 0.078 7 0 "[ . 1 .]" 1
115 1 5 ASN QB 1 17 THR H 2.000 . 5.500 3.716 3.163 4.577 . 0 0 "[ . 1 .]" 1
116 1 5 ASN H 1 17 THR H 2.000 . 5.000 3.532 3.260 4.070 . 0 0 "[ . 1 .]" 1
117 1 15 ASN HA 1 17 THR H 2.000 . 3.500 3.459 3.388 3.529 0.029 6 0 "[ . 1 .]" 1
118 1 16 VAL HA 1 17 THR H 2.000 . 3.500 3.497 3.484 3.513 0.013 1 0 "[ . 1 .]" 1
119 1 16 VAL HB 1 17 THR H 2.000 . 2.800 2.847 2.822 2.877 0.077 2 0 "[ . 1 .]" 1
120 1 16 VAL QG 1 17 THR H 2.000 . 6.000 3.369 3.349 3.387 . 0 0 "[ . 1 .]" 1
121 1 17 THR H 1 17 THR HA 2.000 . 2.800 2.846 2.823 2.865 0.065 15 0 "[ . 1 .]" 1
122 1 17 THR H 1 17 THR HB 2.000 . 3.500 2.989 2.938 3.034 . 0 0 "[ . 1 .]" 1
123 1 17 THR H 1 17 THR MG 2.000 . 5.500 1.734 1.720 1.754 0.080 14 0 "[ . 1 .]" 1
124 1 17 THR H 1 19 ARG HA 2.000 . 5.000 5.068 5.055 5.085 0.085 13 0 "[ . 1 .]" 1
125 1 15 ASN HA 1 18 ARG H 2.000 . 5.500 4.392 4.291 4.571 . 0 0 "[ . 1 .]" 1
126 1 16 VAL QG 1 18 ARG H 2.000 . 7.500 4.888 4.789 4.945 . 0 0 "[ . 1 .]" 1
127 1 17 THR HA 1 18 ARG H 2.000 . 4.000 3.586 3.581 3.590 . 0 0 "[ . 1 .]" 1
128 1 17 THR HB 1 18 ARG H 2.000 . 4.000 3.949 3.913 4.000 . 0 0 "[ . 1 .]" 1
129 1 17 THR MG 1 18 ARG H 2.000 . 6.000 1.762 1.745 1.796 0.055 1 0 "[ . 1 .]" 1
130 1 18 ARG H 1 18 ARG QB 2.000 . 3.200 2.589 2.500 2.924 . 0 0 "[ . 1 .]" 1
131 1 18 ARG H 1 18 ARG QG 2.000 . 3.500 2.158 1.763 2.359 0.037 7 0 "[ . 1 .]" 1
132 1 18 ARG H 1 18 ARG QD 2.000 . 6.000 3.923 2.976 4.375 . 0 0 "[ . 1 .]" 1
133 1 18 ARG H 1 19 ARG H 2.000 . 2.800 2.219 2.148 2.297 . 0 0 "[ . 1 .]" 1
134 1 18 ARG H 1 19 ARG HA 2.000 . 5.000 4.508 4.413 4.605 . 0 0 "[ . 1 .]" 1
135 1 18 ARG H 1 19 ARG QB 2.000 . 6.000 4.771 4.613 5.186 . 0 0 "[ . 1 .]" 1
136 1 18 ARG H 1 20 LEU H 2.000 . 5.000 4.472 4.030 4.813 . 0 0 "[ . 1 .]" 1
137 1 16 VAL HA 1 19 ARG H 2.000 . 4.500 3.236 3.086 3.372 . 0 0 "[ . 1 .]" 1
138 1 16 VAL QG 1 19 ARG H 2.000 . 7.500 4.186 4.034 4.299 . 0 0 "[ . 1 .]" 1
139 1 17 THR HA 1 19 ARG H 2.000 . 5.000 4.215 4.122 4.314 . 0 0 "[ . 1 .]" 1
140 1 17 THR MG 1 19 ARG H 2.000 . 6.000 3.519 3.470 3.573 . 0 0 "[ . 1 .]" 1
141 1 18 ARG HA 1 19 ARG H 2.000 . 4.000 3.375 3.304 3.430 . 0 0 "[ . 1 .]" 1
142 1 18 ARG QB 1 19 ARG H 2.000 . 4.000 3.198 2.992 3.701 . 0 0 "[ . 1 .]" 1
143 1 18 ARG QG 1 19 ARG H 2.000 . 4.500 3.812 2.595 4.051 . 0 0 "[ . 1 .]" 1
144 1 19 ARG H 1 19 ARG HA 2.000 . 2.800 2.329 2.322 2.339 . 0 0 "[ . 1 .]" 1
145 1 19 ARG H 1 19 ARG QB 2.000 . 4.000 3.069 2.952 3.402 . 0 0 "[ . 1 .]" 1
146 1 19 ARG H 1 19 ARG QG 2.000 . 5.000 4.030 2.604 4.374 . 0 0 "[ . 1 .]" 1
147 1 19 ARG H 1 19 ARG QD 2.000 . 6.000 3.868 2.391 5.074 . 0 0 "[ . 1 .]" 1
148 1 19 ARG H 1 20 LEU H 2.000 . 3.500 3.028 2.758 3.279 . 0 0 "[ . 1 .]" 1
149 1 19 ARG H 1 35 TYR QD 2.000 . 8.000 6.063 5.903 6.248 . 0 0 "[ . 1 .]" 1
150 1 19 ARG H 1 35 TYR QE 2.000 . 6.500 4.561 4.423 4.742 . 0 0 "[ . 1 .]" 1
151 1 14 LEU HA 1 20 LEU H 2.000 . 5.000 4.838 4.501 5.015 0.015 2 0 "[ . 1 .]" 1
152 1 18 ARG QB 1 20 LEU H 2.000 . 7.500 3.930 3.224 4.905 . 0 0 "[ . 1 .]" 1
153 1 18 ARG QG 1 20 LEU H 2.000 . 7.500 5.190 3.027 5.824 . 0 0 "[ . 1 .]" 1
154 1 19 ARG HA 1 20 LEU H 2.000 . 2.800 2.483 2.345 2.720 . 0 0 "[ . 1 .]" 1
155 1 19 ARG QD 1 20 LEU H 2.000 . 5.500 4.530 3.816 4.916 . 0 0 "[ . 1 .]" 1
156 1 20 LEU H 1 20 LEU HA 2.000 . 2.800 2.923 2.865 2.979 0.179 1 0 "[ . 1 .]" 1
157 1 20 LEU H 1 20 LEU QB 2.000 . 4.000 2.786 2.701 2.891 . 0 0 "[ . 1 .]" 1
158 1 20 LEU H 1 20 LEU HG 2.000 . 4.500 3.923 2.843 4.633 0.133 13 0 "[ . 1 .]" 1
159 1 20 LEU H 1 20 LEU QD 2.000 . 6.000 3.866 3.474 4.073 . 0 0 "[ . 1 .]" 1
160 1 20 LEU H 1 21 VAL H 2.000 . 4.500 4.316 4.030 4.450 . 0 0 "[ . 1 .]" 1
161 1 20 LEU H 1 35 TYR QD 2.000 . 7.000 4.524 3.900 5.016 . 0 0 "[ . 1 .]" 1
162 1 20 LEU H 1 35 TYR QE 2.000 . 6.000 2.485 2.067 2.826 . 0 0 "[ . 1 .]" 1
163 1 20 LEU HA 1 21 VAL H 2.000 . 2.800 2.325 2.203 2.395 . 0 0 "[ . 1 .]" 1
164 1 20 LEU QB 1 21 VAL H 2.000 . 4.500 3.162 2.593 3.806 . 0 0 "[ . 1 .]" 1
165 1 20 LEU HG 1 21 VAL H 2.000 . 5.000 3.797 2.307 4.985 . 0 0 "[ . 1 .]" 1
166 1 20 LEU QD 1 21 VAL H 2.000 . 7.000 2.535 1.795 3.574 0.005 5 0 "[ . 1 .]" 1
167 1 21 VAL H 1 21 VAL HB 2.000 . 2.800 2.809 2.569 2.890 0.090 12 0 "[ . 1 .]" 1
168 1 21 VAL H 1 21 VAL QG 2.000 . 5.500 2.622 2.395 2.780 . 0 0 "[ . 1 .]" 1
169 1 21 VAL H 1 22 TRP H 2.000 . 6.000 4.355 4.176 4.543 . 0 0 "[ . 1 .]" 1
170 1 21 VAL H 1 35 TYR QD 2.000 . 8.000 4.547 3.267 5.073 . 0 0 "[ . 1 .]" 1
171 1 13 ARG QB 1 22 TRP H 2.000 . 4.500 3.041 2.829 3.251 . 0 0 "[ . 1 .]" 1
172 1 13 ARG QG 1 22 TRP H 2.000 . 5.500 4.739 4.111 4.960 . 0 0 "[ . 1 .]" 1
173 1 14 LEU HA 1 22 TRP H 2.000 . 4.500 4.061 3.756 4.296 . 0 0 "[ . 1 .]" 1
174 1 15 ASN H 1 22 TRP H 2.000 . 5.500 5.272 5.045 5.468 . 0 0 "[ . 1 .]" 1
175 1 21 VAL HA 1 22 TRP H 2.000 . 2.800 2.222 2.194 2.279 . 0 0 "[ . 1 .]" 1
176 1 21 VAL QG 1 22 TRP H 2.000 . 6.000 2.559 2.242 2.828 . 0 0 "[ . 1 .]" 1
177 1 22 TRP H 1 22 TRP QB 2.000 . 4.500 2.428 2.377 2.481 . 0 0 "[ . 1 .]" 1
178 1 22 TRP H 1 23 LEU H 2.000 . 5.000 4.521 4.405 4.578 . 0 0 "[ . 1 .]" 1
179 1 22 TRP HA 1 27 ALA HA 2.000 . 3.500 2.387 2.353 2.541 . 0 0 "[ . 1 .]" 1
180 1 22 TRP HD1 1 27 ALA HA 2.000 . 4.000 2.806 2.501 3.311 . 0 0 "[ . 1 .]" 1
181 1 22 TRP HE1 1 27 ALA HA 2.000 . 5.500 3.908 3.453 4.434 . 0 0 "[ . 1 .]" 1
182 1 22 TRP HE1 1 27 ALA MB 2.000 . 5.500 3.215 2.752 3.880 . 0 0 "[ . 1 .]" 1
183 1 13 ARG HA 1 22 TRP HE3 2.000 . 4.500 4.579 4.529 4.662 0.162 5 0 "[ . 1 .]" 1
184 1 20 LEU QB 1 22 TRP HZ2 2.000 . 6.000 3.713 3.350 4.664 . 0 0 "[ . 1 .]" 1
185 1 20 LEU HG 1 22 TRP HZ2 2.000 . 5.500 4.946 3.546 5.514 0.014 9 0 "[ . 1 .]" 1
186 1 20 LEU QD 1 22 TRP HZ2 2.000 . 7.000 2.651 2.288 3.147 . 0 0 "[ . 1 .]" 1
187 1 12 LEU HA 1 23 LEU H 2.000 . 5.500 5.264 4.964 5.609 0.109 5 0 "[ . 1 .]" 1
188 1 22 TRP HA 1 23 LEU H 2.000 . 2.800 2.244 2.171 2.369 . 0 0 "[ . 1 .]" 1
189 1 22 TRP QB 1 23 LEU H 2.000 . 4.500 2.911 2.588 3.371 . 0 0 "[ . 1 .]" 1
190 1 23 LEU H 1 23 LEU QB 2.000 . 3.500 2.485 2.293 2.656 . 0 0 "[ . 1 .]" 1
191 1 23 LEU H 1 23 LEU QD 2.000 . 6.000 3.881 3.747 3.988 . 0 0 "[ . 1 .]" 1
192 1 23 LEU H 1 24 GLY H 2.000 . 5.000 4.088 3.937 4.313 . 0 0 "[ . 1 .]" 1
193 1 23 LEU H 1 26 THR HA 2.000 . 4.500 4.563 4.475 4.622 0.122 14 0 "[ . 1 .]" 1
194 1 23 LEU H 1 26 THR H 2.000 . 4.000 3.058 2.723 3.281 . 0 0 "[ . 1 .]" 1
195 1 23 LEU H 1 27 ALA HA 2.000 . 4.000 3.656 3.518 3.790 . 0 0 "[ . 1 .]" 1
196 1 23 LEU H 1 28 LEU H 2.000 . 5.500 3.152 2.858 3.466 . 0 0 "[ . 1 .]" 1
197 1 11 ASN HA 1 24 GLY H 2.000 . 5.500 4.676 4.432 4.892 . 0 0 "[ . 1 .]" 1
198 1 11 ASN QB 1 24 GLY H 2.000 . 4.000 2.797 2.410 3.255 . 0 0 "[ . 1 .]" 1
199 1 11 ASN QD 1 24 GLY H 2.000 . 5.500 4.288 2.272 4.967 . 0 0 "[ . 1 .]" 1
200 1 12 LEU HA 1 24 GLY H 2.000 . 4.500 3.704 3.448 4.027 . 0 0 "[ . 1 .]" 1
201 1 23 LEU HA 1 24 GLY H 2.000 . 2.800 2.243 2.209 2.266 . 0 0 "[ . 1 .]" 1
202 1 23 LEU QB 1 24 GLY H 2.000 . 4.500 3.982 3.915 4.022 . 0 0 "[ . 1 .]" 1
203 1 23 LEU HG 1 24 GLY H 2.000 . 4.000 3.472 2.914 3.955 . 0 0 "[ . 1 .]" 1
204 1 23 LEU QD 1 24 GLY H 2.000 . 6.500 3.261 2.574 3.791 . 0 0 "[ . 1 .]" 1
205 1 24 GLY H 1 24 GLY QA 2.000 . 2.800 2.265 2.252 2.280 . 0 0 "[ . 1 .]" 1
206 1 24 GLY H 1 25 GLU H 2.000 . 5.000 2.592 2.446 3.900 . 0 0 "[ . 1 .]" 1
207 1 24 GLY H 1 26 THR H 2.000 . 5.500 3.926 3.789 4.483 . 0 0 "[ . 1 .]" 1
208 1 24 GLY QA 1 25 GLU H 2.000 . 3.500 2.657 2.416 2.706 . 0 0 "[ . 1 .]" 1
209 1 25 GLU H 1 25 GLU QB 2.000 . 4.000 3.245 2.802 3.471 . 0 0 "[ . 1 .]" 1
210 1 25 GLU H 1 25 GLU QG 2.000 . 4.500 3.294 2.658 4.059 . 0 0 "[ . 1 .]" 1
211 1 25 GLU H 1 26 THR H 2.000 . 2.800 2.734 1.941 2.826 0.026 3 0 "[ . 1 .]" 1
212 1 22 TRP HA 1 26 THR H 2.000 . 5.500 4.635 4.242 4.930 . 0 0 "[ . 1 .]" 1
213 1 22 TRP QB 1 26 THR H 2.000 . 5.000 3.636 3.345 4.074 . 0 0 "[ . 1 .]" 1
214 1 23 LEU HG 1 26 THR H 2.000 . 5.000 5.058 4.843 5.165 0.165 1 0 "[ . 1 .]" 1
215 1 24 GLY QA 1 26 THR H 2.000 . 4.500 3.298 3.183 3.947 . 0 0 "[ . 1 .]" 1
216 1 25 GLU HA 1 26 THR H 2.000 . 3.500 3.309 3.053 3.389 . 0 0 "[ . 1 .]" 1
217 1 25 GLU QB 1 26 THR H 2.000 . 4.000 3.439 3.245 3.684 . 0 0 "[ . 1 .]" 1
218 1 25 GLU QG 1 26 THR H 2.000 . 5.500 4.294 4.114 4.482 . 0 0 "[ . 1 .]" 1
219 1 26 THR H 1 26 THR HB 2.000 . 4.000 3.744 3.694 3.882 . 0 0 "[ . 1 .]" 1
220 1 26 THR H 1 26 THR MG 2.000 . 5.500 2.519 2.235 2.935 . 0 0 "[ . 1 .]" 1
221 1 26 THR H 1 27 ALA H 2.000 . 5.000 4.552 4.391 4.604 . 0 0 "[ . 1 .]" 1
222 1 22 TRP HA 1 27 ALA H 2.000 . 5.500 4.587 4.325 4.790 . 0 0 "[ . 1 .]" 1
223 1 22 TRP QB 1 27 ALA H 2.000 . 7.000 4.928 4.603 5.440 . 0 0 "[ . 1 .]" 1
224 1 22 TRP HD1 1 27 ALA H 2.000 . 4.500 3.363 2.945 4.038 . 0 0 "[ . 1 .]" 1
225 1 22 TRP HE1 1 27 ALA H 2.000 . 5.500 4.711 4.044 5.388 . 0 0 "[ . 1 .]" 1
226 1 23 LEU QB 1 27 ALA H 2.000 . 7.500 5.858 5.445 6.093 . 0 0 "[ . 1 .]" 1
227 1 26 THR HA 1 27 ALA H 2.000 . 4.000 2.227 2.203 2.254 . 0 0 "[ . 1 .]" 1
228 1 26 THR HB 1 27 ALA H 2.000 . 3.000 3.051 3.016 3.098 0.098 11 0 "[ . 1 .]" 1
229 1 26 THR MG 1 27 ALA H 2.000 . 6.000 3.985 3.881 4.068 . 0 0 "[ . 1 .]" 1
230 1 27 ALA H 1 27 ALA MB 2.000 . 5.000 2.246 2.235 2.256 . 0 0 "[ . 1 .]" 1
231 1 27 ALA H 1 28 LEU H 2.000 . 5.500 4.477 4.431 4.535 . 0 0 "[ . 1 .]" 1
232 1 22 TRP HA 1 28 LEU H 2.000 . 2.800 2.226 1.833 2.738 . 0 0 "[ . 1 .]" 1
233 1 22 TRP QB 1 28 LEU H 2.000 . 6.000 4.341 4.012 4.804 . 0 0 "[ . 1 .]" 1
234 1 23 LEU QB 1 28 LEU H 2.000 . 6.500 3.872 3.635 4.095 . 0 0 "[ . 1 .]" 1
235 1 27 ALA HA 1 28 LEU H 2.000 . 2.800 2.191 2.181 2.207 . 0 0 "[ . 1 .]" 1
236 1 27 ALA MB 1 28 LEU H 2.000 . 5.500 3.342 3.240 3.399 . 0 0 "[ . 1 .]" 1
237 1 28 LEU H 1 28 LEU QB 2.000 . 4.500 2.272 2.239 2.308 . 0 0 "[ . 1 .]" 1
238 1 28 LEU H 1 28 LEU HG 2.000 . 4.500 4.514 4.466 4.560 0.060 11 0 "[ . 1 .]" 1
239 1 28 LEU H 1 28 LEU QD 2.000 . 6.000 3.690 3.581 3.763 . 0 0 "[ . 1 .]" 1
240 1 28 LEU HA 1 29 ASP H 2.000 . 2.800 2.230 2.208 2.262 . 0 0 "[ . 1 .]" 1
241 1 28 LEU QB 1 29 ASP H 2.000 . 5.000 3.740 3.581 3.813 . 0 0 "[ . 1 .]" 1
242 1 28 LEU HG 1 29 ASP H 2.000 . 3.500 2.899 2.546 3.132 . 0 0 "[ . 1 .]" 1
243 1 28 LEU QD 1 29 ASP H 2.000 . 6.500 2.611 2.358 3.019 . 0 0 "[ . 1 .]" 1
244 1 29 ASP H 1 29 ASP QB 2.000 . 3.500 2.609 2.400 2.861 . 0 0 "[ . 1 .]" 1
245 1 29 ASP H 1 30 LEU H 2.000 . 4.500 4.266 4.128 4.377 . 0 0 "[ . 1 .]" 1
246 1 28 LEU HG 1 30 LEU H 2.000 . 5.500 4.384 3.929 4.972 . 0 0 "[ . 1 .]" 1
247 1 29 ASP HA 1 30 LEU H 2.000 . 2.800 2.210 2.137 2.253 . 0 0 "[ . 1 .]" 1
248 1 29 ASP QB 1 30 LEU H 2.000 . 4.000 3.611 3.500 3.804 . 0 0 "[ . 1 .]" 1
249 1 30 LEU H 1 30 LEU QB 2.000 . 4.500 3.018 2.901 3.167 . 0 0 "[ . 1 .]" 1
250 1 30 LEU H 1 30 LEU HG 2.000 . 3.500 3.192 2.213 3.488 . 0 0 "[ . 1 .]" 1
251 1 30 LEU H 1 30 LEU QD 2.000 . 6.500 1.754 1.607 2.237 0.193 2 0 "[ . 1 .]" 1
252 1 30 LEU H 1 35 TYR QB 2.000 . 7.000 5.948 5.780 5.995 . 0 0 "[ . 1 .]" 1
253 1 30 LEU H 1 31 THR H 2.000 . 5.000 4.418 4.400 4.426 . 0 0 "[ . 1 .]" 1
254 1 30 LEU HA 1 31 THR H 2.000 . 3.000 2.249 2.191 2.313 . 0 0 "[ . 1 .]" 1
255 1 30 LEU QB 1 31 THR H 2.000 . 5.000 2.989 2.788 3.153 . 0 0 "[ . 1 .]" 1
256 1 30 LEU HG 1 31 THR H 2.000 . 4.500 4.017 3.711 4.465 . 0 0 "[ . 1 .]" 1
257 1 30 LEU QD 1 31 THR H 2.000 . 6.500 4.076 3.943 4.208 . 0 0 "[ . 1 .]" 1
258 1 31 THR H 1 31 THR MG 2.000 . 6.000 2.151 1.773 2.884 0.027 7 0 "[ . 1 .]" 1
259 1 31 THR H 1 34 GLU H 2.000 . 4.500 4.326 4.131 4.512 0.012 9 0 "[ . 1 .]" 1
260 1 31 THR H 1 34 GLU QB 2.000 . 5.000 3.269 2.968 3.771 . 0 0 "[ . 1 .]" 1
261 1 31 THR H 1 35 TYR QB 2.000 . 7.000 6.077 5.947 6.151 . 0 0 "[ . 1 .]" 1
262 1 31 THR H 1 77 LEU HA 2.000 . 5.500 5.503 5.306 5.572 0.072 10 0 "[ . 1 .]" 1
263 1 32 PRO HA 1 33 LYS H 2.000 . 5.000 3.575 3.547 3.585 . 0 0 "[ . 1 .]" 1
264 1 32 PRO QB 1 33 LYS H 2.000 . 5.500 2.677 2.327 3.197 . 0 0 "[ . 1 .]" 1
265 1 33 LYS H 1 33 LYS QB 2.000 . 4.500 2.490 2.319 2.699 . 0 0 "[ . 1 .]" 1
266 1 33 LYS H 1 33 LYS QG 2.000 . 5.500 2.195 1.801 3.307 . 0 0 "[ . 1 .]" 1
267 1 33 LYS H 1 33 LYS QD 2.000 . 5.500 3.247 1.767 3.860 0.033 5 0 "[ . 1 .]" 1
268 1 33 LYS H 1 33 LYS QE 2.000 . 6.000 4.307 3.642 4.913 . 0 0 "[ . 1 .]" 1
269 1 33 LYS H 1 34 GLU H 2.000 . 4.000 2.842 2.752 2.924 . 0 0 "[ . 1 .]" 1
270 1 33 LYS H 1 35 TYR QB 2.000 . 6.000 4.851 4.690 5.044 . 0 0 "[ . 1 .]" 1
271 1 33 LYS HA 1 34 GLU H 2.000 . 5.000 3.569 3.535 3.583 . 0 0 "[ . 1 .]" 1
272 1 33 LYS QB 1 34 GLU H 2.000 . 6.500 2.511 2.328 3.353 . 0 0 "[ . 1 .]" 1
273 1 33 LYS QG 1 34 GLU H 2.000 . 6.500 3.902 1.981 4.453 . 0 0 "[ . 1 .]" 1
274 1 34 GLU H 1 34 GLU QB 2.000 . 5.500 2.361 2.216 2.702 . 0 0 "[ . 1 .]" 1
275 1 34 GLU H 1 34 GLU QG 2.000 . 5.500 3.083 1.800 4.084 . 0 0 "[ . 1 .]" 1
276 1 34 GLU H 1 35 TYR H 2.000 . 4.500 2.709 2.528 2.830 . 0 0 "[ . 1 .]" 1
277 1 34 GLU H 1 36 ALA H 2.000 . 5.500 4.157 3.961 4.229 . 0 0 "[ . 1 .]" 1
278 1 34 GLU H 1 77 LEU QD 2.000 . 8.000 4.113 2.899 5.233 . 0 0 "[ . 1 .]" 1
279 1 30 LEU QD 1 35 TYR H 2.000 . 6.500 3.273 2.622 3.629 . 0 0 "[ . 1 .]" 1
280 1 32 PRO HA 1 35 TYR H 2.000 . 4.500 3.319 3.094 3.481 . 0 0 "[ . 1 .]" 1
281 1 33 LYS HA 1 35 TYR H 2.000 . 5.500 4.269 4.048 4.461 . 0 0 "[ . 1 .]" 1
282 1 15 ASN HA 1 35 TYR QE 2.000 . 7.000 5.508 5.280 5.724 . 0 0 "[ . 1 .]" 1
283 1 34 GLU HA 1 35 TYR H 2.000 . 4.500 3.543 3.506 3.572 . 0 0 "[ . 1 .]" 1
284 1 34 GLU QB 1 35 TYR H 2.000 . 5.500 2.657 2.449 2.843 . 0 0 "[ . 1 .]" 1
285 1 35 TYR H 1 35 TYR QB 2.000 . 2.800 2.234 2.206 2.261 . 0 0 "[ . 1 .]" 1
286 1 35 TYR H 1 35 TYR QD 2.000 . 5.500 4.163 4.117 4.200 . 0 0 "[ . 1 .]" 1
287 1 35 TYR H 1 36 ALA H 2.000 . 2.800 2.709 2.538 2.807 0.007 6 0 "[ . 1 .]" 1
288 1 35 TYR H 1 37 LEU H 2.000 . 5.500 4.531 4.385 4.699 . 0 0 "[ . 1 .]" 1
289 1 16 VAL HA 1 35 TYR QD 2.000 . 5.500 4.723 4.516 4.923 . 0 0 "[ . 1 .]" 1
290 1 21 VAL QG 1 35 TYR QD 2.000 . 7.000 2.607 2.256 3.211 . 0 0 "[ . 1 .]" 1
291 1 16 VAL HA 1 35 TYR QE 2.000 . 7.000 2.702 2.368 2.873 . 0 0 "[ . 1 .]" 1
292 1 16 VAL QG 1 35 TYR QE 2.000 . 8.000 2.223 2.071 2.520 . 0 0 "[ . 1 .]" 1
293 1 17 THR MG 1 35 TYR QE 2.000 . 8.000 6.082 6.040 6.097 . 0 0 "[ . 1 .]" 1
294 1 19 ARG HA 1 35 TYR QE 2.000 . 5.500 2.990 2.829 3.154 . 0 0 "[ . 1 .]" 1
295 1 20 LEU HA 1 35 TYR QE 2.000 . 6.500 3.054 2.691 3.493 . 0 0 "[ . 1 .]" 1
296 1 21 VAL QG 1 35 TYR QE 2.000 . 6.000 2.141 2.073 2.275 . 0 0 "[ . 1 .]" 1
297 1 32 PRO HA 1 36 ALA H 2.000 . 5.500 4.803 4.573 4.875 . 0 0 "[ . 1 .]" 1
298 1 33 LYS HA 1 36 ALA H 2.000 . 3.500 3.475 3.357 3.529 0.029 14 0 "[ . 1 .]" 1
299 1 35 TYR QB 1 36 ALA H 2.000 . 5.000 2.776 2.703 2.869 . 0 0 "[ . 1 .]" 1
300 1 35 TYR QD 1 36 ALA H 2.000 . 6.000 3.891 3.773 4.203 . 0 0 "[ . 1 .]" 1
301 1 36 ALA H 1 36 ALA MB 2.000 . 4.500 2.267 2.252 2.282 . 0 0 "[ . 1 .]" 1
302 1 36 ALA H 1 37 LEU H 2.000 . 2.800 2.682 2.615 2.749 . 0 0 "[ . 1 .]" 1
303 1 36 ALA H 1 38 LEU H 2.000 . 4.000 3.847 3.741 4.041 0.041 6 0 "[ . 1 .]" 1
304 1 36 ALA H 1 38 LEU QD 2.000 . 7.500 5.468 4.465 5.588 . 0 0 "[ . 1 .]" 1
305 1 36 ALA H 1 58 ILE MD 2.000 . 8.000 4.620 3.739 6.186 . 0 0 "[ . 1 .]" 1
306 1 36 ALA H 1 58 ILE MG 2.000 . 8.000 6.438 5.911 6.596 . 0 0 "[ . 1 .]" 1
307 1 34 GLU HA 1 37 LEU H 2.000 . 4.500 3.304 3.157 3.523 . 0 0 "[ . 1 .]" 1
308 1 36 ALA HA 1 37 LEU H 2.000 . 4.500 3.582 3.567 3.598 . 0 0 "[ . 1 .]" 1
309 1 36 ALA MB 1 37 LEU H 2.000 . 5.500 2.266 2.224 2.335 . 0 0 "[ . 1 .]" 1
310 1 37 LEU H 1 37 LEU QB 2.000 . 4.500 2.378 2.149 2.706 . 0 0 "[ . 1 .]" 1
311 1 37 LEU H 1 37 LEU HG 2.000 . 4.500 3.482 1.800 4.486 . 14 0 "[ . 1 .]" 1
312 1 37 LEU H 1 37 LEU QD 2.000 . 5.500 2.332 1.719 3.759 0.081 2 0 "[ . 1 .]" 1
313 1 37 LEU H 1 38 LEU H 2.000 . 3.500 2.651 2.579 2.804 . 0 0 "[ . 1 .]" 1
314 1 37 LEU H 1 39 SER H 2.000 . 5.000 4.208 4.100 4.333 . 0 0 "[ . 1 .]" 1
315 1 37 LEU H 1 57 ASP QB 2.000 . 5.500 3.534 2.950 3.963 . 0 0 "[ . 1 .]" 1
316 1 37 LEU H 1 77 LEU QD 2.000 . 7.500 5.149 4.791 5.479 . 0 0 "[ . 1 .]" 1
317 1 35 TYR HA 1 38 LEU H 2.000 . 4.000 3.582 3.399 3.724 . 0 0 "[ . 1 .]" 1
318 1 37 LEU HA 1 38 LEU H 2.000 . 4.500 3.528 3.506 3.572 . 0 0 "[ . 1 .]" 1
319 1 37 LEU QB 1 38 LEU H 2.000 . 4.500 2.563 2.262 2.729 . 0 0 "[ . 1 .]" 1
320 1 37 LEU QD 1 38 LEU H 2.000 . 7.500 3.487 2.600 3.932 . 0 0 "[ . 1 .]" 1
321 1 38 LEU H 1 38 LEU QB 2.000 . 4.500 2.221 2.116 2.252 . 0 0 "[ . 1 .]" 1
322 1 38 LEU H 1 38 LEU HG 2.000 . 4.500 4.387 3.819 4.503 0.003 4 0 "[ . 1 .]" 1
323 1 38 LEU H 1 38 LEU QD 2.000 . 5.500 3.595 2.084 3.762 . 0 0 "[ . 1 .]" 1
324 1 38 LEU HA 1 39 SER H 2.000 . 4.500 3.562 3.547 3.574 . 0 0 "[ . 1 .]" 1
325 1 38 LEU QB 1 39 SER H 2.000 . 4.000 2.474 2.363 2.641 . 0 0 "[ . 1 .]" 1
326 1 38 LEU HG 1 39 SER H 2.000 . 5.000 4.079 3.466 5.026 0.026 6 0 "[ . 1 .]" 1
327 1 38 LEU QD 1 39 SER H 2.000 . 5.500 3.784 3.460 3.893 . 0 0 "[ . 1 .]" 1
328 1 39 SER H 1 39 SER QB 2.000 . 4.000 2.445 2.256 2.677 . 0 0 "[ . 1 .]" 1
329 1 39 SER H 1 40 ARG H 2.000 . 3.500 2.834 2.739 3.005 . 0 0 "[ . 1 .]" 1
330 1 39 SER H 1 40 ARG QB 2.000 . 5.500 4.707 4.587 4.880 . 0 0 "[ . 1 .]" 1
331 1 39 SER H 1 41 LEU H 2.000 . 5.500 4.330 4.214 4.428 . 0 0 "[ . 1 .]" 1
332 1 38 LEU HA 1 40 ARG H 2.000 . 4.500 4.111 3.901 4.522 0.022 14 0 "[ . 1 .]" 1
333 1 38 LEU QD 1 40 ARG H 2.000 . 7.000 5.024 4.663 5.256 . 0 0 "[ . 1 .]" 1
334 1 39 SER HA 1 40 ARG H 2.000 . 4.500 3.546 3.518 3.591 . 0 0 "[ . 1 .]" 1
335 1 39 SER QB 1 40 ARG H 2.000 . 4.000 2.882 2.574 3.558 . 0 0 "[ . 1 .]" 1
336 1 40 ARG H 1 40 ARG QB 2.000 . 3.500 2.294 2.226 2.551 . 0 0 "[ . 1 .]" 1
337 1 40 ARG H 1 40 ARG QG 2.000 . 5.500 3.489 1.893 4.111 . 0 0 "[ . 1 .]" 1
338 1 40 ARG H 1 40 ARG QD 2.000 . 6.500 3.914 2.013 4.857 . 0 0 "[ . 1 .]" 1
339 1 40 ARG H 1 41 LEU H 2.000 . 3.500 2.528 2.394 2.841 . 0 0 "[ . 1 .]" 1
340 1 40 ARG H 1 42 MET H 2.000 . 5.000 4.165 3.986 4.301 . 0 0 "[ . 1 .]" 1
341 1 40 ARG H 1 54 LEU HA 2.000 . 5.500 5.547 5.482 5.597 0.097 6 0 "[ . 1 .]" 1
342 1 40 ARG H 1 54 LEU QD 2.000 . 8.000 4.157 3.806 5.940 . 0 0 "[ . 1 .]" 1
343 1 40 ARG H 1 57 ASP QB 2.000 . 6.500 5.168 4.569 5.632 . 0 0 "[ . 1 .]" 1
344 1 38 LEU HA 1 41 LEU H 2.000 . 4.500 3.224 3.054 3.521 . 0 0 "[ . 1 .]" 1
345 1 39 SER HA 1 41 LEU H 2.000 . 5.500 4.670 4.452 4.805 . 0 0 "[ . 1 .]" 1
346 1 40 ARG HA 1 41 LEU H 2.000 . 4.000 3.561 3.526 3.581 . 0 0 "[ . 1 .]" 1
347 1 40 ARG QB 1 41 LEU H 2.000 . 3.500 2.549 2.352 2.680 . 0 0 "[ . 1 .]" 1
348 1 40 ARG QG 1 41 LEU H 2.000 . 5.500 4.043 3.804 4.506 . 0 0 "[ . 1 .]" 1
349 1 41 LEU H 1 41 LEU QB 2.000 . 4.000 2.386 2.161 2.685 . 0 0 "[ . 1 .]" 1
350 1 41 LEU H 1 41 LEU HG 2.000 . 5.500 2.794 1.842 4.502 . 0 0 "[ . 1 .]" 1
351 1 41 LEU H 1 41 LEU QD 2.000 . 5.000 3.124 2.251 3.740 . 0 0 "[ . 1 .]" 1
352 1 41 LEU H 1 43 MET H 2.000 . 5.500 4.098 3.927 4.335 . 0 0 "[ . 1 .]" 1
353 1 41 LEU H 1 54 LEU QD 2.000 . 7.500 3.301 2.897 5.146 . 0 0 "[ . 1 .]" 1
354 1 39 SER HA 1 42 MET H 2.000 . 4.500 3.853 3.347 4.067 . 0 0 "[ . 1 .]" 1
355 1 40 ARG QB 1 42 MET H 2.000 . 5.500 4.806 4.618 4.904 . 0 0 "[ . 1 .]" 1
356 1 41 LEU HA 1 42 MET H 2.000 . 4.500 3.576 3.541 3.597 . 0 0 "[ . 1 .]" 1
357 1 41 LEU QB 1 42 MET H 2.000 . 4.500 2.524 2.345 2.652 . 0 0 "[ . 1 .]" 1
358 1 41 LEU HG 1 42 MET H 2.000 . 6.500 4.283 3.559 4.991 . 0 0 "[ . 1 .]" 1
359 1 41 LEU QD 1 42 MET H 2.000 . 5.500 4.013 3.847 4.146 . 0 0 "[ . 1 .]" 1
360 1 42 MET H 1 42 MET QB 2.000 . 3.500 2.408 2.288 2.531 . 0 0 "[ . 1 .]" 1
361 1 42 MET H 1 43 MET H 2.000 . 3.000 2.588 2.494 2.722 . 0 0 "[ . 1 .]" 1
362 1 42 MET H 1 44 LYS H 2.000 . 4.500 4.087 3.934 4.280 . 0 0 "[ . 1 .]" 1
363 1 7 ILE MD 1 43 MET H 2.000 . 7.000 4.320 3.570 4.940 . 0 0 "[ . 1 .]" 1
364 1 40 ARG HA 1 43 MET H 2.000 . 4.500 3.384 3.167 3.611 . 0 0 "[ . 1 .]" 1
365 1 41 LEU HA 1 43 MET H 2.000 . 4.500 4.431 4.169 4.526 0.026 3 0 "[ . 1 .]" 1
366 1 42 MET HA 1 43 MET H 2.000 . 3.500 3.530 3.490 3.554 0.054 10 0 "[ . 1 .]" 1
367 1 42 MET QB 1 43 MET H 2.000 . 4.500 2.988 2.494 3.594 . 0 0 "[ . 1 .]" 1
368 1 43 MET H 1 43 MET HA 2.000 . 2.800 2.822 2.809 2.850 0.050 13 0 "[ . 1 .]" 1
369 1 43 MET H 1 43 MET QB 2.000 . 4.500 2.291 2.252 2.453 . 0 0 "[ . 1 .]" 1
370 1 43 MET H 1 43 MET QG 2.000 . 4.500 3.756 2.108 4.091 . 0 0 "[ . 1 .]" 1
371 1 43 MET H 1 44 LYS HA 2.000 . 5.500 5.397 5.335 5.448 . 0 0 "[ . 1 .]" 1
372 1 43 MET H 1 44 LYS QB 2.000 . 5.500 4.722 4.678 4.785 . 0 0 "[ . 1 .]" 1
373 1 43 MET H 1 44 LYS H 2.000 . 3.000 2.682 2.609 2.780 . 0 0 "[ . 1 .]" 1
374 1 43 MET H 1 45 ALA H 2.000 . 5.000 4.543 4.309 4.774 . 0 0 "[ . 1 .]" 1
375 1 7 ILE MD 1 44 LYS H 2.000 . 7.500 5.731 5.161 6.190 . 0 0 "[ . 1 .]" 1
376 1 40 ARG HA 1 44 LYS H 2.000 . 4.500 4.542 4.506 4.568 0.068 3 0 "[ . 1 .]" 1
377 1 42 MET QB 1 44 LYS H 2.000 . 7.500 4.642 4.415 4.964 . 0 0 "[ . 1 .]" 1
378 1 43 MET HA 1 44 LYS H 2.000 . 3.500 3.489 3.468 3.525 0.025 1 0 "[ . 1 .]" 1
379 1 43 MET QB 1 44 LYS H 2.000 . 5.500 2.765 2.640 2.847 . 0 0 "[ . 1 .]" 1
380 1 43 MET QG 1 44 LYS H 2.000 . 5.500 3.931 3.705 4.449 . 0 0 "[ . 1 .]" 1
381 1 44 LYS H 1 44 LYS QB 2.000 . 4.500 2.426 2.333 2.516 . 0 0 "[ . 1 .]" 1
382 1 44 LYS H 1 44 LYS QG 2.000 . 4.500 3.147 2.967 4.109 . 0 0 "[ . 1 .]" 1
383 1 44 LYS H 1 44 LYS QD 2.000 . 5.500 4.345 4.061 4.686 . 0 0 "[ . 1 .]" 1
384 1 44 LYS H 1 45 ALA HA 2.000 . 5.500 4.416 4.344 4.594 . 0 0 "[ . 1 .]" 1
385 1 44 LYS H 1 45 ALA H 2.000 . 3.500 2.888 2.774 3.099 . 0 0 "[ . 1 .]" 1
386 1 44 LYS H 1 49 VAL QG 2.000 . 7.000 3.668 3.492 4.379 . 0 0 "[ . 1 .]" 1
387 1 7 ILE MD 1 45 ALA H 2.000 . 6.500 5.322 4.836 5.470 . 0 0 "[ . 1 .]" 1
388 1 42 MET HA 1 45 ALA H 2.000 . 3.800 3.557 3.401 3.756 . 0 0 "[ . 1 .]" 1
389 1 42 MET QB 1 45 ALA H 2.000 . 5.500 4.758 4.639 4.981 . 0 0 "[ . 1 .]" 1
390 1 43 MET HA 1 45 ALA H 2.000 . 4.500 4.160 3.880 4.377 . 0 0 "[ . 1 .]" 1
391 1 44 LYS HA 1 45 ALA H 2.000 . 3.500 2.820 2.691 2.929 . 0 0 "[ . 1 .]" 1
392 1 44 LYS QB 1 45 ALA H 2.000 . 5.500 3.873 3.811 3.984 . 0 0 "[ . 1 .]" 1
393 1 44 LYS QG 1 45 ALA H 2.000 . 5.500 4.553 4.190 4.674 . 0 0 "[ . 1 .]" 1
394 1 45 ALA H 1 45 ALA HA 2.000 . 2.800 2.867 2.827 2.887 0.087 1 0 "[ . 1 .]" 1
395 1 45 ALA H 1 45 ALA MB 2.000 . 5.000 2.237 2.211 2.260 . 0 0 "[ . 1 .]" 1
396 1 45 ALA H 1 46 GLY H 2.000 . 5.000 4.552 4.338 4.650 . 0 0 "[ . 1 .]" 1
397 1 45 ALA H 1 47 SER H 2.000 . 5.500 4.716 4.447 5.028 . 0 0 "[ . 1 .]" 1
398 1 45 ALA H 1 96 LEU QB 2.000 . 6.000 5.129 4.925 5.167 . 0 0 "[ . 1 .]" 1
399 1 44 LYS QB 1 46 GLY H 2.000 . 6.500 5.217 4.523 5.584 . 0 0 "[ . 1 .]" 1
400 1 45 ALA HA 1 46 GLY H 2.000 . 3.500 2.211 2.179 2.252 . 0 0 "[ . 1 .]" 1
401 1 45 ALA MB 1 46 GLY H 2.000 . 6.000 3.112 2.852 3.489 . 0 0 "[ . 1 .]" 1
402 1 46 GLY H 1 47 SER H 2.000 . 3.500 2.384 1.873 2.719 . 0 0 "[ . 1 .]" 1
403 1 46 GLY H 1 95 MET QG 2.000 . 7.500 2.578 2.028 5.110 . 0 0 "[ . 1 .]" 1
404 1 46 GLY H 1 96 LEU H 2.000 . 5.500 2.974 2.436 3.615 . 0 0 "[ . 1 .]" 1
405 1 46 GLY H 1 96 LEU QB 2.000 . 7.500 3.598 2.752 4.384 . 0 0 "[ . 1 .]" 1
406 1 46 GLY H 1 96 LEU QD 2.000 . 7.500 4.246 3.574 4.777 . 0 0 "[ . 1 .]" 1
407 1 45 ALA MB 1 47 SER H 2.000 . 6.500 4.444 4.238 4.778 . 0 0 "[ . 1 .]" 1
408 1 46 GLY QA 1 47 SER H 2.000 . 4.000 2.905 2.871 2.930 . 0 0 "[ . 1 .]" 1
409 1 47 SER H 1 47 SER QB 2.000 . 4.500 2.624 2.316 3.108 . 0 0 "[ . 1 .]" 1
410 1 47 SER H 1 95 MET HA 2.000 . 4.500 4.459 4.060 4.553 0.053 6 0 "[ . 1 .]" 1
411 1 47 SER H 1 95 MET QB 2.000 . 5.500 4.536 3.279 4.885 . 0 0 "[ . 1 .]" 1
412 1 47 SER H 1 95 MET QG 2.000 . 6.000 3.165 2.561 5.396 . 0 0 "[ . 1 .]" 1
413 1 47 SER H 1 96 LEU QD 2.000 . 8.000 5.466 4.972 5.803 . 0 0 "[ . 1 .]" 1
414 1 48 PRO HA 1 49 VAL H 2.000 . 4.500 2.211 2.201 2.223 . 0 0 "[ . 1 .]" 1
415 1 48 PRO QB 1 49 VAL H 2.000 . 5.000 3.519 3.503 3.536 . 0 0 "[ . 1 .]" 1
416 1 49 VAL H 1 49 VAL HA 2.000 . 2.800 2.959 2.932 2.981 0.181 8 0 "[ . 1 .]" 1
417 1 49 VAL H 1 49 VAL HB 2.000 . 3.500 2.470 2.405 2.597 . 0 0 "[ . 1 .]" 1
418 1 49 VAL H 1 49 VAL QG 2.000 . 6.500 2.388 2.070 2.478 . 0 0 "[ . 1 .]" 1
419 1 49 VAL H 1 50 HIS H 2.000 . 5.500 4.558 4.526 4.591 . 0 0 "[ . 1 .]" 1
420 1 49 VAL H 1 92 PHE QE 2.000 . 8.000 6.065 5.734 7.036 . 0 0 "[ . 1 .]" 1
421 1 49 VAL H 1 94 TYR H 2.000 . 3.500 2.260 2.097 2.469 . 0 0 "[ . 1 .]" 1
422 1 49 VAL H 1 95 MET HA 2.000 . 5.000 3.868 3.803 3.962 . 0 0 "[ . 1 .]" 1
423 1 49 VAL H 1 95 MET QB 2.000 . 4.500 3.732 3.669 3.875 . 0 0 "[ . 1 .]" 1
424 1 49 VAL H 1 96 LEU H 2.000 . 5.800 5.880 5.851 5.932 0.132 11 0 "[ . 1 .]" 1
425 1 49 VAL H 1 96 LEU QD 2.000 . 8.000 5.490 5.425 5.548 . 0 0 "[ . 1 .]" 1
426 1 49 VAL HA 1 50 HIS H 2.000 . 3.500 2.224 2.206 2.240 . 0 0 "[ . 1 .]" 1
427 1 49 VAL HB 1 50 HIS H 2.000 . 4.500 4.145 4.052 4.315 . 0 0 "[ . 1 .]" 1
428 1 49 VAL QG 1 50 HIS H 2.000 . 5.500 2.478 2.401 2.564 . 0 0 "[ . 1 .]" 1
429 1 50 HIS H 1 50 HIS QB 2.000 . 4.000 2.266 2.229 2.304 . 0 0 "[ . 1 .]" 1
430 1 50 HIS H 1 52 GLU H 2.000 . 5.500 4.976 4.785 5.477 . 0 0 "[ . 1 .]" 1
431 1 50 HIS H 1 51 ARG H 2.000 . 5.500 4.538 4.506 4.689 . 0 0 "[ . 1 .]" 1
432 1 50 HIS H 1 53 ILE H 2.000 . 5.500 4.469 4.103 4.874 . 0 0 "[ . 1 .]" 1
433 1 50 HIS H 1 53 ILE HB 2.000 . 4.500 4.172 3.512 4.487 . 0 0 "[ . 1 .]" 1
434 1 50 HIS H 1 53 ILE QG 2.000 . 5.500 3.880 3.045 4.415 . 0 0 "[ . 1 .]" 1
435 1 50 HIS H 1 53 ILE MD 2.000 . 5.500 2.944 2.180 4.588 . 0 0 "[ . 1 .]" 1
436 1 50 HIS H 1 92 PHE QE 2.000 . 6.500 4.719 4.365 5.310 . 0 0 "[ . 1 .]" 1
437 1 50 HIS H 1 92 PHE HZ 2.000 . 5.500 5.527 5.514 5.536 0.036 15 0 "[ . 1 .]" 1
438 1 50 HIS HA 1 50 HIS HD2 2.000 . 4.500 2.457 2.306 4.105 . 0 0 "[ . 1 .]" 1
439 1 50 HIS HD2 1 92 PHE HA 2.000 . 5.000 4.941 4.344 5.037 0.037 11 0 "[ . 1 .]" 1
440 1 50 HIS HD2 1 92 PHE QD 2.000 . 6.500 3.903 2.581 4.694 . 0 0 "[ . 1 .]" 1
441 1 50 HIS HD2 1 92 PHE QE 2.000 . 6.000 3.383 2.718 4.594 . 0 0 "[ . 1 .]" 1
442 1 50 HIS HD2 1 92 PHE HZ 2.000 . 5.500 3.655 2.689 5.479 . 0 0 "[ . 1 .]" 1
443 1 49 VAL QG 1 51 ARG H 2.000 . 6.500 4.382 4.346 4.424 . 0 0 "[ . 1 .]" 1
444 1 50 HIS HA 1 51 ARG H 2.000 . 3.500 2.195 2.169 2.308 . 0 0 "[ . 1 .]" 1
445 1 50 HIS QB 1 51 ARG H 2.000 . 5.500 3.776 3.513 3.831 . 0 0 "[ . 1 .]" 1
446 1 51 ARG H 1 51 ARG QB 2.000 . 3.500 2.455 2.223 2.635 . 0 0 "[ . 1 .]" 1
447 1 51 ARG H 1 51 ARG QG 2.000 . 5.000 2.637 1.879 3.983 . 0 0 "[ . 1 .]" 1
448 1 51 ARG H 1 51 ARG QD 2.000 . 6.500 3.991 1.741 4.914 0.059 14 0 "[ . 1 .]" 1
449 1 51 ARG H 1 52 GLU QB 2.000 . 6.500 4.539 4.237 4.853 . 0 0 "[ . 1 .]" 1
450 1 51 ARG H 1 52 GLU QG 2.000 . 7.000 5.740 4.206 6.339 . 0 0 "[ . 1 .]" 1
451 1 51 ARG H 1 52 GLU H 2.000 . 4.000 2.708 2.454 2.803 . 0 0 "[ . 1 .]" 1
452 1 51 ARG H 1 53 ILE H 2.000 . 5.000 4.714 4.260 4.926 . 0 0 "[ . 1 .]" 1
453 1 51 ARG H 1 56 ASN QD 2.000 . 8.000 7.260 7.168 7.332 . 0 0 "[ . 1 .]" 1
454 1 51 ARG H 1 92 PHE QD 2.000 . 7.000 4.768 4.110 5.480 . 0 0 "[ . 1 .]" 1
455 1 51 ARG H 1 93 GLY QA 2.000 . 4.000 2.399 2.142 3.416 . 0 0 "[ . 1 .]" 1
456 1 50 HIS QB 1 52 GLU H 2.000 . 6.500 3.051 2.901 3.237 . 0 0 "[ . 1 .]" 1
457 1 51 ARG HA 1 52 GLU H 2.000 . 5.500 3.419 3.389 3.469 . 0 0 "[ . 1 .]" 1
458 1 51 ARG QB 1 52 GLU H 2.000 . 5.500 3.454 2.975 3.729 . 0 0 "[ . 1 .]" 1
459 1 51 ARG QG 1 52 GLU H 2.000 . 5.500 3.053 2.291 4.184 . 0 0 "[ . 1 .]" 1
460 1 52 GLU H 1 52 GLU QB 2.000 . 4.500 2.285 2.195 2.385 . 0 0 "[ . 1 .]" 1
461 1 52 GLU H 1 52 GLU QG 2.000 . 5.500 3.520 2.262 3.982 . 0 0 "[ . 1 .]" 1
462 1 52 GLU H 1 53 ILE H 2.000 . 3.500 2.724 2.552 2.890 . 0 0 "[ . 1 .]" 1
463 1 50 HIS QB 1 53 ILE H 2.000 . 4.500 2.637 2.532 2.795 . 0 0 "[ . 1 .]" 1
464 1 52 GLU HA 1 53 ILE H 2.000 . 4.000 3.585 3.528 3.606 . 0 0 "[ . 1 .]" 1
465 1 52 GLU QB 1 53 ILE H 2.000 . 4.500 2.430 2.183 2.707 . 0 0 "[ . 1 .]" 1
466 1 52 GLU QG 1 53 ILE H 2.000 . 6.500 3.835 3.308 4.329 . 0 0 "[ . 1 .]" 1
467 1 53 ILE H 1 53 ILE HB 2.000 . 3.500 2.602 2.460 2.766 . 0 0 "[ . 1 .]" 1
468 1 53 ILE H 1 53 ILE QG 2.000 . 3.500 1.943 1.785 2.221 0.015 12 0 "[ . 1 .]" 1
469 1 53 ILE H 1 53 ILE MG 2.000 . 5.500 3.764 3.735 3.784 . 0 0 "[ . 1 .]" 1
470 1 53 ILE H 1 53 ILE MD 2.000 . 5.500 3.262 2.428 3.519 . 0 0 "[ . 1 .]" 1
471 1 53 ILE H 1 54 LEU HG 2.000 . 5.500 3.944 3.746 4.180 . 0 0 "[ . 1 .]" 1
472 1 53 ILE H 1 55 TYR QB 2.000 . 7.000 5.091 4.615 5.242 . 0 0 "[ . 1 .]" 1
473 1 53 ILE HA 1 54 LEU H 2.000 . 4.000 3.517 3.481 3.547 . 0 0 "[ . 1 .]" 1
474 1 53 ILE HB 1 54 LEU H 2.000 . 3.500 2.838 2.727 2.996 . 0 0 "[ . 1 .]" 1
475 1 53 ILE QG 1 54 LEU H 2.000 . 6.000 4.012 3.797 4.147 . 0 0 "[ . 1 .]" 1
476 1 53 ILE MG 1 54 LEU H 2.000 . 6.000 3.701 3.513 3.854 . 0 0 "[ . 1 .]" 1
477 1 54 LEU H 1 54 LEU QB 2.000 . 3.500 2.623 2.554 2.667 . 0 0 "[ . 1 .]" 1
478 1 54 LEU H 1 54 LEU HG 2.000 . 3.500 1.902 1.805 2.101 . 0 0 "[ . 1 .]" 1
479 1 54 LEU H 1 54 LEU QD 2.000 . 6.500 2.723 2.566 3.024 . 0 0 "[ . 1 .]" 1
480 1 54 LEU H 1 55 TYR QB 2.000 . 6.500 4.351 4.143 4.466 . 0 0 "[ . 1 .]" 1
481 1 54 LEU H 1 55 TYR H 2.000 . 4.000 2.553 2.439 2.640 . 0 0 "[ . 1 .]" 1
482 1 53 ILE HA 1 55 TYR H 2.000 . 4.500 4.317 4.048 4.575 0.075 1 0 "[ . 1 .]" 1
483 1 53 ILE HB 1 55 TYR H 2.000 . 5.500 5.130 4.851 5.378 . 0 0 "[ . 1 .]" 1
484 1 53 ILE MG 1 55 TYR H 2.000 . 6.500 5.079 4.797 5.346 . 0 0 "[ . 1 .]" 1
485 1 53 ILE MD 1 55 TYR H 2.000 . 8.000 6.322 5.536 6.649 . 0 0 "[ . 1 .]" 1
486 1 54 LEU HA 1 55 TYR H 2.000 . 3.500 3.515 3.445 3.543 0.043 3 0 "[ . 1 .]" 1
487 1 54 LEU QB 1 55 TYR H 2.000 . 4.500 2.632 2.268 3.653 . 0 0 "[ . 1 .]" 1
488 1 54 LEU HG 1 55 TYR H 2.000 . 4.500 3.774 2.511 4.151 . 0 0 "[ . 1 .]" 1
489 1 54 LEU QD 1 55 TYR H 2.000 . 7.000 3.851 2.496 4.131 . 0 0 "[ . 1 .]" 1
490 1 55 TYR H 1 55 TYR QB 2.000 . 4.500 2.273 2.125 2.343 . 0 0 "[ . 1 .]" 1
491 1 55 TYR H 1 55 TYR QD 2.000 . 6.500 3.727 2.483 4.230 . 0 0 "[ . 1 .]" 1
492 1 55 TYR H 1 56 ASN H 2.000 . 3.500 2.584 2.430 2.786 . 0 0 "[ . 1 .]" 1
493 1 55 TYR H 1 57 ASP H 2.000 . 5.000 3.999 3.865 4.134 . 0 0 "[ . 1 .]" 1
494 1 55 TYR QD 1 70 LEU QD 2.000 . 8.500 3.415 2.492 4.780 . 0 0 "[ . 1 .]" 1
495 1 55 TYR QE 1 70 LEU QD 2.000 . 7.500 2.940 2.268 3.679 . 0 0 "[ . 1 .]" 1
496 1 53 ILE HA 1 56 ASN H 2.000 . 4.500 3.356 3.102 3.719 . 0 0 "[ . 1 .]" 1
497 1 53 ILE MG 1 56 ASN H 2.000 . 7.500 4.465 4.312 4.605 . 0 0 "[ . 1 .]" 1
498 1 53 ILE MD 1 56 ASN H 2.000 . 8.000 6.240 4.741 6.729 . 0 0 "[ . 1 .]" 1
499 1 53 ILE H 1 56 ASN H 2.000 . 5.500 4.889 4.642 5.272 . 0 0 "[ . 1 .]" 1
500 1 54 LEU HG 1 56 ASN H 2.000 . 8.000 5.622 5.018 5.978 . 0 0 "[ . 1 .]" 1
501 1 55 TYR HA 1 56 ASN H 2.000 . 3.500 3.513 3.501 3.525 0.025 15 0 "[ . 1 .]" 1
502 1 55 TYR QB 1 56 ASN H 2.000 . 5.000 2.697 2.645 2.767 . 0 0 "[ . 1 .]" 1
503 1 55 TYR QD 1 56 ASN H 2.000 . 7.000 4.278 3.904 4.579 . 0 0 "[ . 1 .]" 1
504 1 56 ASN H 1 56 ASN HA 2.000 . 2.800 2.853 2.831 2.877 0.077 1 0 "[ . 1 .]" 1
505 1 56 ASN H 1 56 ASN QB 2.000 . 4.500 2.464 2.385 2.719 . 0 0 "[ . 1 .]" 1
506 1 56 ASN H 1 57 ASP QB 2.000 . 5.500 4.628 4.340 4.767 . 0 0 "[ . 1 .]" 1
507 1 53 ILE HA 1 56 ASN QD 2.000 . 4.500 1.819 1.790 1.949 0.010 6 0 "[ . 1 .]" 1
508 1 53 ILE MG 1 56 ASN QD 2.000 . 7.500 3.545 3.277 3.703 . 0 0 "[ . 1 .]" 1
509 1 36 ALA MB 1 57 ASP H 2.000 . 6.500 5.322 5.248 5.394 . 0 0 "[ . 1 .]" 1
510 1 37 LEU QB 1 57 ASP H 2.000 . 6.500 5.745 5.007 5.931 . 0 0 "[ . 1 .]" 1
511 1 37 LEU HG 1 57 ASP H 2.000 . 6.000 4.588 4.004 6.010 0.010 12 0 "[ . 1 .]" 1
512 1 37 LEU QD 1 57 ASP H 2.000 . 7.500 4.115 3.251 4.918 . 0 0 "[ . 1 .]" 1
513 1 53 ILE HA 1 57 ASP H 2.000 . 5.500 4.839 4.375 5.617 0.117 13 0 "[ . 1 .]" 1
514 1 54 LEU HA 1 57 ASP H 2.000 . 3.500 3.393 3.223 3.530 0.030 4 0 "[ . 1 .]" 1
515 1 54 LEU QD 1 57 ASP H 2.000 . 7.500 4.754 4.310 4.911 . 0 0 "[ . 1 .]" 1
516 1 56 ASN HA 1 57 ASP H 2.000 . 3.500 3.464 3.420 3.487 . 0 0 "[ . 1 .]" 1
517 1 56 ASN QB 1 57 ASP H 2.000 . 4.500 2.962 2.833 3.004 . 0 0 "[ . 1 .]" 1
518 1 57 ASP H 1 57 ASP HA 2.000 . 2.800 2.836 2.816 2.881 0.081 12 0 "[ . 1 .]" 1
519 1 57 ASP H 1 57 ASP QB 2.000 . 3.500 2.368 2.184 2.494 . 0 0 "[ . 1 .]" 1
520 1 57 ASP H 1 58 ILE HB 2.000 . 5.500 5.376 5.058 5.603 0.103 4 0 "[ . 1 .]" 1
521 1 57 ASP H 1 58 ILE QG 2.000 . 6.000 4.367 3.978 4.645 . 0 0 "[ . 1 .]" 1
522 1 57 ASP H 1 58 ILE H 2.000 . 4.000 2.893 2.707 2.998 . 0 0 "[ . 1 .]" 1
523 1 36 ALA MB 1 58 ILE H 2.000 . 8.000 4.354 4.016 4.657 . 0 0 "[ . 1 .]" 1
524 1 55 TYR HA 1 58 ILE H 2.000 . 4.000 3.872 3.434 4.044 0.044 5 0 "[ . 1 .]" 1
525 1 57 ASP HA 1 58 ILE H 2.000 . 3.500 3.572 3.560 3.581 0.081 1 0 "[ . 1 .]" 1
526 1 57 ASP QB 1 58 ILE H 2.000 . 3.500 2.297 2.194 2.373 . 0 0 "[ . 1 .]" 1
527 1 58 ILE H 1 58 ILE HB 2.000 . 3.500 2.685 2.566 2.872 . 0 0 "[ . 1 .]" 1
528 1 58 ILE H 1 58 ILE QG 2.000 . 4.500 2.062 1.770 2.346 0.030 11 0 "[ . 1 .]" 1
529 1 58 ILE H 1 58 ILE MG 2.000 . 6.500 3.814 3.761 3.940 . 0 0 "[ . 1 .]" 1
530 1 58 ILE H 1 58 ILE MD 2.000 . 6.500 3.355 2.637 3.950 . 0 0 "[ . 1 .]" 1
531 1 58 ILE H 1 59 TYR QB 2.000 . 6.000 4.660 4.008 5.401 . 0 0 "[ . 1 .]" 1
532 1 58 ILE H 1 59 TYR H 2.000 . 4.000 2.408 2.172 2.594 . 0 0 "[ . 1 .]" 1
533 1 56 ASN HA 1 59 TYR H 2.000 . 3.500 3.404 3.034 3.559 0.059 10 0 "[ . 1 .]" 1
534 1 57 ASP QB 1 59 TYR H 2.000 . 5.500 4.356 4.143 4.458 . 0 0 "[ . 1 .]" 1
535 1 58 ILE HA 1 59 TYR H 2.000 . 3.500 3.507 3.140 3.565 0.065 8 0 "[ . 1 .]" 1
536 1 58 ILE HB 1 59 TYR H 2.000 . 4.500 2.837 2.645 3.844 . 0 0 "[ . 1 .]" 1
537 1 58 ILE QG 1 59 TYR H 2.000 . 4.500 3.837 3.496 4.108 . 0 0 "[ . 1 .]" 1
538 1 58 ILE MG 1 59 TYR H 2.000 . 7.500 3.830 3.572 4.303 . 0 0 "[ . 1 .]" 1
539 1 58 ILE MD 1 59 TYR H 2.000 . 7.500 4.568 4.323 5.351 . 0 0 "[ . 1 .]" 1
540 1 59 TYR H 1 59 TYR QB 2.000 . 4.000 2.695 2.106 3.493 . 0 0 "[ . 1 .]" 1
541 1 59 TYR H 1 59 TYR QD 2.000 . 6.000 2.920 2.337 4.054 . 0 0 "[ . 1 .]" 1
542 1 55 TYR HA 1 59 TYR QD 2.000 . 6.500 3.969 2.643 5.674 . 0 0 "[ . 1 .]" 1
543 1 55 TYR QB 1 59 TYR QD 2.000 . 7.500 4.413 3.356 5.159 . 0 0 "[ . 1 .]" 1
544 1 55 TYR QD 1 59 TYR QD 2.000 . 7.000 3.574 2.556 5.075 . 0 0 "[ . 1 .]" 1
545 1 55 TYR QD 1 59 TYR QE 2.000 . 7.500 4.091 3.211 5.575 . 0 0 "[ . 1 .]" 1
546 1 55 TYR QE 1 59 TYR QE 2.000 . 7.500 3.693 2.393 5.874 . 0 0 "[ . 1 .]" 1
547 1 56 ASN HA 1 59 TYR QD 2.000 . 6.500 4.809 3.105 5.805 . 0 0 "[ . 1 .]" 1
548 1 56 ASN HA 1 60 SER H 2.000 . 5.500 4.569 3.860 5.401 . 0 0 "[ . 1 .]" 1
549 1 56 ASN QB 1 60 SER H 2.000 . 7.000 5.734 4.636 6.176 . 0 0 "[ . 1 .]" 1
550 1 59 TYR HA 1 60 SER H 2.000 . 3.500 2.504 2.191 3.573 0.073 15 0 "[ . 1 .]" 1
551 1 59 TYR QB 1 60 SER H 2.000 . 5.000 2.818 1.816 3.901 . 0 0 "[ . 1 .]" 1
552 1 59 TYR QD 1 60 SER H 2.000 . 6.000 3.994 2.692 4.878 . 0 0 "[ . 1 .]" 1
553 1 60 SER H 1 60 SER QB 2.000 . 4.500 2.733 2.219 3.382 . 0 0 "[ . 1 .]" 1
554 1 60 SER H 1 61 TRP H 2.000 . 4.500 2.281 1.746 3.541 0.054 5 0 "[ . 1 .]" 1
555 1 59 TYR HA 1 61 TRP H 2.000 . 4.000 3.877 3.332 4.105 0.105 5 0 "[ . 1 .]" 1
556 1 60 SER HA 1 61 TRP H 2.000 . 3.500 3.305 2.645 3.570 0.070 9 0 "[ . 1 .]" 1
557 1 60 SER QB 1 61 TRP H 2.000 . 5.500 3.235 2.493 3.912 . 0 0 "[ . 1 .]" 1
558 1 61 TRP H 1 61 TRP QB 2.000 . 4.500 2.812 2.238 3.455 . 0 0 "[ . 1 .]" 1
559 1 61 TRP H 1 61 TRP HD1 2.000 . 4.500 3.139 1.791 4.558 0.058 1 0 "[ . 1 .]" 1
560 1 60 SER HA 1 62 ASP H 2.000 . 5.000 4.167 3.262 5.019 0.019 15 0 "[ . 1 .]" 1
561 1 60 SER QB 1 62 ASP H 2.000 . 5.500 4.585 3.579 4.969 . 0 0 "[ . 1 .]" 1
562 1 61 TRP HA 1 62 ASP H 2.000 . 3.500 3.127 2.357 3.504 0.004 11 0 "[ . 1 .]" 1
563 1 61 TRP QB 1 62 ASP H 2.000 . 4.500 3.576 2.853 4.057 . 0 0 "[ . 1 .]" 1
564 1 61 TRP HD1 1 62 ASP H 2.000 . 5.500 4.664 3.560 5.562 0.062 5 0 "[ . 1 .]" 1
565 1 62 ASP H 1 62 ASP QB 2.000 . 3.500 2.650 2.266 3.242 . 0 0 "[ . 1 .]" 1
566 1 62 ASP H 1 63 ASN H 2.000 . 4.000 3.227 1.788 4.024 0.024 11 0 "[ . 1 .]" 1
567 1 62 ASP HA 1 63 ASN H 2.000 . 3.500 3.147 2.181 3.571 0.071 2 0 "[ . 1 .]" 1
568 1 62 ASP QB 1 63 ASN H 2.000 . 4.000 2.599 1.767 3.685 0.033 6 0 "[ . 1 .]" 1
569 1 63 ASN H 1 63 ASN QB 2.000 . 4.000 2.901 2.376 3.450 . 0 0 "[ . 1 .]" 1
570 1 63 ASN H 1 63 ASN QD 2.000 . 5.500 3.295 1.744 4.194 0.056 14 0 "[ . 1 .]" 1
571 1 63 ASN H 1 64 GLU H 2.000 . 4.000 3.257 2.501 3.944 . 0 0 "[ . 1 .]" 1
572 1 63 ASN HA 1 64 GLU H 2.000 . 3.500 2.997 2.182 3.563 0.063 11 0 "[ . 1 .]" 1
573 1 63 ASN QB 1 64 GLU H 2.000 . 4.500 2.936 1.785 4.021 0.015 14 0 "[ . 1 .]" 1
574 1 64 GLU H 1 64 GLU QB 2.000 . 3.500 2.845 2.319 2.997 . 0 0 "[ . 1 .]" 1
575 1 64 GLU H 1 64 GLU QG 2.000 . 5.000 3.876 1.833 4.419 . 0 0 "[ . 1 .]" 1
576 1 64 GLU H 1 65 PRO QD 2.000 . 5.500 2.409 1.761 4.471 0.039 13 0 "[ . 1 .]" 1
577 1 65 PRO HA 1 66 ALA H 2.000 . 3.500 2.421 2.217 3.212 . 0 0 "[ . 1 .]" 1
578 1 65 PRO QB 1 66 ALA H 2.000 . 4.500 3.620 2.777 4.050 . 0 0 "[ . 1 .]" 1
579 1 65 PRO QG 1 66 ALA H 2.000 . 5.500 4.551 3.517 4.853 . 0 0 "[ . 1 .]" 1
580 1 66 ALA H 1 66 ALA MB 2.000 . 4.500 2.254 2.232 2.271 . 0 0 "[ . 1 .]" 1
581 1 66 ALA H 1 67 THR H 2.000 . 5.500 2.577 2.396 2.737 . 0 0 "[ . 1 .]" 1
582 1 66 ALA HA 1 67 THR H 2.000 . 4.000 3.473 3.210 3.588 . 0 0 "[ . 1 .]" 1
583 1 66 ALA MB 1 67 THR H 2.000 . 6.000 2.749 2.271 3.394 . 0 0 "[ . 1 .]" 1
584 1 67 THR H 1 67 THR HB 2.000 . 4.000 3.310 2.590 3.770 . 0 0 "[ . 1 .]" 1
585 1 67 THR H 1 67 THR MG 2.000 . 5.500 3.094 1.885 4.017 . 0 0 "[ . 1 .]" 1
586 1 67 THR HA 1 68 ASN H 2.000 . 3.500 2.715 2.253 3.522 0.022 12 0 "[ . 1 .]" 1
587 1 67 THR HB 1 68 ASN H 2.000 . 4.000 3.207 1.822 4.022 0.022 11 0 "[ . 1 .]" 1
588 1 68 ASN H 1 68 ASN QB 2.000 . 4.500 2.626 2.255 3.366 . 0 0 "[ . 1 .]" 1
589 1 68 ASN H 1 69 THR H 2.000 . 5.500 4.192 2.174 4.635 . 0 0 "[ . 1 .]" 1
590 1 68 ASN HA 1 69 THR H 2.000 . 2.800 2.335 2.192 2.817 0.017 11 0 "[ . 1 .]" 1
591 1 68 ASN QB 1 69 THR H 2.000 . 6.000 3.479 1.840 4.047 . 0 0 "[ . 1 .]" 1
592 1 69 THR H 1 69 THR HB 2.000 . 4.000 3.193 3.043 3.875 . 0 0 "[ . 1 .]" 1
593 1 69 THR H 1 69 THR MG 2.000 . 5.000 4.017 3.925 4.059 . 0 0 "[ . 1 .]" 1
594 1 69 THR H 1 70 LEU H 2.000 . 4.000 2.427 1.815 3.104 . 0 0 "[ . 1 .]" 1
595 1 69 THR H 1 72 VAL HB 2.000 . 4.500 4.522 4.484 4.565 0.065 11 0 "[ . 1 .]" 1
596 1 69 THR H 1 72 VAL QG 2.000 . 7.500 3.048 2.571 3.633 . 0 0 "[ . 1 .]" 1
597 1 55 TYR QE 1 70 LEU H 2.000 . 6.000 5.119 4.717 5.410 . 0 0 "[ . 1 .]" 1
598 1 69 THR HA 1 70 LEU H 2.000 . 3.500 3.532 3.373 3.561 0.061 5 0 "[ . 1 .]" 1
599 1 69 THR HB 1 70 LEU H 2.000 . 3.500 2.382 1.820 3.450 . 0 0 "[ . 1 .]" 1
600 1 69 THR MG 1 70 LEU H 2.000 . 6.000 3.334 2.269 4.208 . 0 0 "[ . 1 .]" 1
601 1 70 LEU H 1 70 LEU QB 2.000 . 4.500 2.549 2.283 2.923 . 0 0 "[ . 1 .]" 1
602 1 70 LEU H 1 70 LEU HG 2.000 . 3.500 2.601 1.834 3.615 0.115 15 0 "[ . 1 .]" 1
603 1 70 LEU H 1 70 LEU QD 2.000 . 6.500 2.127 1.627 2.749 0.173 7 0 "[ . 1 .]" 1
604 1 70 LEU H 1 71 GLU H 2.000 . 3.500 2.706 2.560 2.882 . 0 0 "[ . 1 .]" 1
605 1 70 LEU H 1 72 VAL H 2.000 . 5.000 3.957 3.705 4.229 . 0 0 "[ . 1 .]" 1
606 1 69 THR HA 1 71 GLU H 2.000 . 5.000 4.636 4.244 4.864 . 0 0 "[ . 1 .]" 1
607 1 69 THR MG 1 71 GLU H 2.000 . 7.000 5.094 4.441 5.400 . 0 0 "[ . 1 .]" 1
608 1 70 LEU HA 1 71 GLU H 2.000 . 5.000 3.570 3.535 3.608 . 0 0 "[ . 1 .]" 1
609 1 70 LEU QB 1 71 GLU H 2.000 . 5.500 2.891 2.374 3.505 . 0 0 "[ . 1 .]" 1
610 1 70 LEU HG 1 71 GLU H 2.000 . 5.000 3.327 1.799 4.951 0.001 2 0 "[ . 1 .]" 1
611 1 70 LEU QD 1 71 GLU H 2.000 . 8.000 3.080 1.787 4.024 0.013 7 0 "[ . 1 .]" 1
612 1 71 GLU H 1 71 GLU QB 2.000 . 4.000 2.403 2.255 2.594 . 0 0 "[ . 1 .]" 1
613 1 71 GLU H 1 71 GLU QG 2.000 . 5.000 2.940 1.880 4.084 . 0 0 "[ . 1 .]" 1
614 1 71 GLU H 1 72 VAL H 2.000 . 4.000 2.606 2.522 2.725 . 0 0 "[ . 1 .]" 1
615 1 71 GLU H 1 73 HIS H 2.000 . 5.000 4.244 4.008 4.415 . 0 0 "[ . 1 .]" 1
616 1 69 THR HA 1 72 VAL H 2.000 . 5.500 3.579 3.128 4.177 . 0 0 "[ . 1 .]" 1
617 1 69 THR MG 1 72 VAL H 2.000 . 6.500 4.696 4.224 5.084 . 0 0 "[ . 1 .]" 1
618 1 71 GLU HA 1 72 VAL H 2.000 . 4.000 3.512 3.475 3.534 . 0 0 "[ . 1 .]" 1
619 1 71 GLU QB 1 72 VAL H 2.000 . 4.500 2.778 2.666 2.886 . 0 0 "[ . 1 .]" 1
620 1 71 GLU QG 1 72 VAL H 2.000 . 6.500 3.948 3.731 4.130 . 0 0 "[ . 1 .]" 1
621 1 72 VAL H 1 72 VAL HB 2.000 . 4.000 2.588 2.483 2.668 . 0 0 "[ . 1 .]" 1
622 1 72 VAL H 1 72 VAL QG 2.000 . 5.500 1.988 1.906 2.109 . 0 0 "[ . 1 .]" 1
623 1 72 VAL H 1 73 HIS H 2.000 . 3.200 2.548 2.490 2.602 . 0 0 "[ . 1 .]" 1
624 1 72 VAL H 1 74 ILE H 2.000 . 5.000 3.917 3.762 4.036 . 0 0 "[ . 1 .]" 1
625 1 70 LEU HA 1 73 HIS H 2.000 . 4.500 3.450 3.141 3.829 . 0 0 "[ . 1 .]" 1
626 1 71 GLU QB 1 73 HIS H 2.000 . 6.000 4.867 4.659 5.047 . 0 0 "[ . 1 .]" 1
627 1 72 VAL HA 1 73 HIS H 2.000 . 3.500 3.543 3.516 3.561 0.061 14 0 "[ . 1 .]" 1
628 1 72 VAL HB 1 73 HIS H 2.000 . 3.500 2.544 2.376 2.666 . 0 0 "[ . 1 .]" 1
629 1 72 VAL QG 1 73 HIS H 2.000 . 6.000 3.230 3.134 3.293 . 0 0 "[ . 1 .]" 1
630 1 73 HIS H 1 73 HIS QB 2.000 . 3.500 2.378 2.269 2.618 . 0 0 "[ . 1 .]" 1
631 1 73 HIS H 1 74 ILE H 2.000 . 2.800 2.632 2.601 2.660 . 0 0 "[ . 1 .]" 1
632 1 73 HIS H 1 75 HIS H 2.000 . 5.000 4.034 3.924 4.092 . 0 0 "[ . 1 .]" 1
633 1 70 LEU HA 1 74 ILE H 2.000 . 4.500 4.404 4.053 4.579 0.079 9 0 "[ . 1 .]" 1
634 1 71 GLU HA 1 74 ILE H 2.000 . 3.500 3.478 3.301 3.537 0.037 6 0 "[ . 1 .]" 1
635 1 71 GLU QB 1 74 ILE H 2.000 . 5.500 4.914 4.772 5.007 . 0 0 "[ . 1 .]" 1
636 1 72 VAL HA 1 74 ILE H 2.000 . 4.000 4.107 4.054 4.167 0.167 5 0 "[ . 1 .]" 1
637 1 72 VAL HB 1 74 ILE H 2.000 . 5.000 4.838 4.674 4.970 . 0 0 "[ . 1 .]" 1
638 1 73 HIS HA 1 74 ILE H 2.000 . 4.500 3.514 3.499 3.527 . 0 0 "[ . 1 .]" 1
639 1 73 HIS QB 1 74 ILE H 2.000 . 4.500 2.549 2.482 2.577 . 0 0 "[ . 1 .]" 1
640 1 74 ILE H 1 74 ILE HB 2.000 . 2.800 2.499 2.405 2.634 . 0 0 "[ . 1 .]" 1
641 1 74 ILE H 1 74 ILE QG 2.000 . 3.500 2.208 2.046 2.393 . 0 0 "[ . 1 .]" 1
642 1 74 ILE H 1 74 ILE MG 2.000 . 5.500 3.788 3.772 3.798 . 0 0 "[ . 1 .]" 1
643 1 74 ILE H 1 74 ILE MD 2.000 . 5.500 3.458 2.894 3.710 . 0 0 "[ . 1 .]" 1
644 1 74 ILE H 1 75 HIS H 2.000 . 3.500 2.612 2.559 2.635 . 0 0 "[ . 1 .]" 1
645 1 74 ILE H 1 76 ASN H 2.000 . 4.000 4.013 3.887 4.078 0.078 8 0 "[ . 1 .]" 1
646 1 71 GLU HA 1 75 HIS H 2.000 . 4.500 4.425 3.998 4.560 0.060 1 0 "[ . 1 .]" 1
647 1 72 VAL HA 1 75 HIS H 2.000 . 3.500 2.978 2.928 3.019 . 0 0 "[ . 1 .]" 1
648 1 72 VAL HB 1 75 HIS H 2.000 . 5.000 5.127 5.095 5.157 0.157 15 0 "[ . 1 .]" 1
649 1 72 VAL QG 1 75 HIS H 2.000 . 7.500 3.961 3.891 4.042 . 0 0 "[ . 1 .]" 1
650 1 73 HIS HA 1 75 HIS H 2.000 . 5.000 4.307 4.069 4.517 . 0 0 "[ . 1 .]" 1
651 1 74 ILE HA 1 75 HIS H 2.000 . 3.500 3.545 3.509 3.558 0.058 7 0 "[ . 1 .]" 1
652 1 74 ILE HB 1 75 HIS H 2.000 . 3.500 2.698 2.539 2.939 . 0 0 "[ . 1 .]" 1
653 1 74 ILE QG 1 75 HIS H 2.000 . 5.000 4.067 3.841 4.252 . 0 0 "[ . 1 .]" 1
654 1 74 ILE MG 1 75 HIS H 2.000 . 5.500 3.467 3.316 3.588 . 0 0 "[ . 1 .]" 1
655 1 74 ILE MD 1 75 HIS H 2.000 . 6.500 4.589 4.481 4.859 . 0 0 "[ . 1 .]" 1
656 1 75 HIS H 1 75 HIS QB 2.000 . 3.500 2.319 2.270 2.448 . 0 0 "[ . 1 .]" 1
657 1 75 HIS H 1 76 ASN H 2.000 . 3.500 2.621 2.417 2.686 . 0 0 "[ . 1 .]" 1
658 1 75 HIS H 1 77 LEU H 2.000 . 4.500 4.160 4.105 4.319 . 0 0 "[ . 1 .]" 1
659 1 75 HIS H 1 78 ARG H 2.000 . 5.500 4.624 4.433 4.872 . 0 0 "[ . 1 .]" 1
660 1 72 VAL HA 1 76 ASN H 2.000 . 4.500 4.233 3.897 4.510 0.010 5 0 "[ . 1 .]" 1
661 1 72 VAL QG 1 76 ASN H 2.000 . 6.500 3.871 3.482 4.171 . 0 0 "[ . 1 .]" 1
662 1 73 HIS HA 1 76 ASN H 2.000 . 3.500 3.343 3.210 3.464 . 0 0 "[ . 1 .]" 1
663 1 74 ILE HA 1 76 ASN H 2.000 . 4.500 4.154 3.813 4.466 . 0 0 "[ . 1 .]" 1
664 1 74 ILE HB 1 76 ASN H 2.000 . 5.000 4.984 4.911 5.010 0.010 1 0 "[ . 1 .]" 1
665 1 74 ILE QG 1 76 ASN H 2.000 . 6.500 5.464 5.261 5.679 . 0 0 "[ . 1 .]" 1
666 1 74 ILE MG 1 76 ASN H 2.000 . 7.500 4.878 4.659 5.141 . 0 0 "[ . 1 .]" 1
667 1 75 HIS HA 1 76 ASN H 2.000 . 3.800 3.520 3.442 3.559 . 0 0 "[ . 1 .]" 1
668 1 75 HIS QB 1 76 ASN H 2.000 . 4.000 2.662 2.559 2.932 . 0 0 "[ . 1 .]" 1
669 1 76 ASN H 1 76 ASN QB 2.000 . 3.500 2.344 2.285 2.429 . 0 0 "[ . 1 .]" 1
670 1 76 ASN H 1 77 LEU H 2.000 . 4.500 2.552 2.478 2.683 . 0 0 "[ . 1 .]" 1
671 1 76 ASN H 1 77 LEU HG 2.000 . 7.000 4.888 4.056 5.589 . 0 0 "[ . 1 .]" 1
672 1 76 ASN H 1 78 ARG H 2.000 . 5.000 3.979 3.767 4.108 . 0 0 "[ . 1 .]" 1
673 1 76 ASN H 1 79 GLU QG 2.000 . 6.500 5.121 4.504 5.470 . 0 0 "[ . 1 .]" 1
674 1 73 HIS HA 1 77 LEU H 2.000 . 4.500 4.124 3.774 4.426 . 0 0 "[ . 1 .]" 1
675 1 74 ILE HA 1 77 LEU H 2.000 . 3.500 3.220 3.109 3.520 0.020 9 0 "[ . 1 .]" 1
676 1 74 ILE MG 1 77 LEU H 2.000 . 7.500 4.532 4.359 4.826 . 0 0 "[ . 1 .]" 1
677 1 74 ILE MD 1 77 LEU H 2.000 . 7.500 6.062 4.850 6.432 . 0 0 "[ . 1 .]" 1
678 1 75 HIS HA 1 77 LEU H 2.000 . 4.500 4.553 4.511 4.610 0.110 5 0 "[ . 1 .]" 1
679 1 76 ASN HA 1 77 LEU H 2.000 . 3.500 3.553 3.544 3.591 0.091 5 0 "[ . 1 .]" 1
680 1 76 ASN QB 1 77 LEU H 2.000 . 3.500 2.514 2.474 2.555 . 0 0 "[ . 1 .]" 1
681 1 77 LEU H 1 77 LEU QB 2.000 . 3.500 2.260 2.030 2.636 . 0 0 "[ . 1 .]" 1
682 1 77 LEU H 1 77 LEU HG 2.000 . 3.500 2.859 2.065 3.594 0.094 11 0 "[ . 1 .]" 1
683 1 77 LEU H 1 77 LEU QD 2.000 . 6.500 3.335 2.862 3.640 . 0 0 "[ . 1 .]" 1
684 1 77 LEU H 1 78 ARG H 2.000 . 4.500 2.596 2.490 2.641 . 0 0 "[ . 1 .]" 1
685 1 77 LEU H 1 79 GLU H 2.000 . 5.500 4.420 4.244 4.517 . 0 0 "[ . 1 .]" 1
686 1 74 ILE HA 1 78 ARG H 2.000 . 5.000 3.612 3.383 3.869 . 0 0 "[ . 1 .]" 1
687 1 74 ILE MG 1 78 ARG H 2.000 . 7.000 3.595 3.438 3.974 . 0 0 "[ . 1 .]" 1
688 1 75 HIS HA 1 78 ARG H 2.000 . 4.500 3.581 3.302 3.792 . 0 0 "[ . 1 .]" 1
689 1 76 ASN HA 1 78 ARG H 2.000 . 5.500 4.519 4.241 4.783 . 0 0 "[ . 1 .]" 1
690 1 77 LEU HA 1 78 ARG H 2.000 . 4.000 3.543 3.508 3.568 . 0 0 "[ . 1 .]" 1
691 1 77 LEU QB 1 78 ARG H 2.000 . 3.500 2.945 2.519 3.367 . 0 0 "[ . 1 .]" 1
692 1 77 LEU HG 1 78 ARG H 2.000 . 4.500 3.048 1.823 4.378 . 0 0 "[ . 1 .]" 1
693 1 77 LEU QD 1 78 ARG H 2.000 . 7.500 3.473 2.461 4.167 . 0 0 "[ . 1 .]" 1
694 1 78 ARG H 1 78 ARG QB 2.000 . 5.500 2.255 2.221 2.370 . 0 0 "[ . 1 .]" 1
695 1 78 ARG H 1 78 ARG QD 2.000 . 5.500 4.535 3.649 4.824 . 0 0 "[ . 1 .]" 1
696 1 78 ARG H 1 79 GLU H 2.000 . 3.500 2.952 2.891 3.023 . 0 0 "[ . 1 .]" 1
697 1 78 ARG H 1 80 LYS H 2.000 . 6.000 4.089 3.994 4.172 . 0 0 "[ . 1 .]" 1
698 1 75 HIS HA 1 79 GLU H 2.000 . 4.500 4.324 3.939 4.493 . 0 0 "[ . 1 .]" 1
699 1 76 ASN HA 1 79 GLU H 2.000 . 4.000 3.847 3.672 3.981 . 0 0 "[ . 1 .]" 1
700 1 77 LEU HA 1 79 GLU H 2.000 . 4.500 4.447 4.278 4.553 0.053 4 0 "[ . 1 .]" 1
701 1 77 LEU QD 1 79 GLU H 2.000 . 8.000 4.968 4.451 5.529 . 0 0 "[ . 1 .]" 1
702 1 78 ARG HA 1 79 GLU H 2.000 . 5.000 3.581 3.564 3.598 . 0 0 "[ . 1 .]" 1
703 1 78 ARG QB 1 79 GLU H 2.000 . 5.500 2.359 2.306 2.559 . 0 0 "[ . 1 .]" 1
704 1 78 ARG QD 1 79 GLU H 2.000 . 6.500 4.729 4.311 4.997 . 0 0 "[ . 1 .]" 1
705 1 79 GLU H 1 79 GLU QB 2.000 . 4.000 2.504 2.394 2.653 . 0 0 "[ . 1 .]" 1
706 1 79 GLU H 1 79 GLU QG 2.000 . 4.500 2.032 1.822 2.272 . 0 0 "[ . 1 .]" 1
707 1 79 GLU H 1 80 LYS H 2.000 . 3.500 2.712 2.657 2.771 . 0 0 "[ . 1 .]" 1
708 1 79 GLU H 1 81 ILE MG 2.000 . 7.500 5.987 5.815 6.197 . 0 0 "[ . 1 .]" 1
709 1 79 GLU H 1 81 ILE MD 2.000 . 7.500 5.388 5.224 5.504 . 0 0 "[ . 1 .]" 1
710 1 76 ASN HA 1 80 LYS H 2.000 . 5.500 4.990 4.696 5.288 . 0 0 "[ . 1 .]" 1
711 1 77 LEU HA 1 80 LYS H 2.000 . 4.500 3.283 3.136 3.527 . 0 0 "[ . 1 .]" 1
712 1 77 LEU QD 1 80 LYS H 2.000 . 6.500 4.274 3.878 4.652 . 0 0 "[ . 1 .]" 1
713 1 78 ARG HA 1 80 LYS H 2.000 . 5.500 4.094 3.781 4.288 . 0 0 "[ . 1 .]" 1
714 1 79 GLU HA 1 80 LYS H 2.000 . 3.500 3.501 3.413 3.534 0.034 11 0 "[ . 1 .]" 1
715 1 79 GLU QB 1 80 LYS H 2.000 . 5.000 3.028 2.765 3.587 . 0 0 "[ . 1 .]" 1
716 1 79 GLU QG 1 80 LYS H 2.000 . 6.000 3.769 2.158 4.308 . 0 0 "[ . 1 .]" 1
717 1 80 LYS H 1 80 LYS HA 2.000 . 2.800 2.891 2.863 2.941 0.141 15 0 "[ . 1 .]" 1
718 1 80 LYS H 1 80 LYS QB 2.000 . 5.000 2.366 2.173 2.568 . 0 0 "[ . 1 .]" 1
719 1 80 LYS H 1 80 LYS QG 2.000 . 5.500 2.640 1.939 4.098 . 0 0 "[ . 1 .]" 1
720 1 80 LYS H 1 80 LYS QD 2.000 . 5.500 3.751 2.314 4.179 . 0 0 "[ . 1 .]" 1
721 1 80 LYS H 1 80 LYS QE 2.000 . 7.000 4.765 4.257 5.974 . 0 0 "[ . 1 .]" 1
722 1 80 LYS H 1 81 ILE MG 2.000 . 6.500 4.451 4.352 4.637 . 0 0 "[ . 1 .]" 1
723 1 80 LYS H 1 81 ILE MD 2.000 . 7.000 5.118 4.915 5.261 . 0 0 "[ . 1 .]" 1
724 1 80 LYS H 1 81 ILE H 2.000 . 2.800 2.627 2.421 2.762 . 0 0 "[ . 1 .]" 1
725 1 80 LYS H 1 82 GLY H 2.000 . 4.500 3.827 3.647 3.989 . 0 0 "[ . 1 .]" 1
726 1 23 LEU QD 1 81 ILE H 2.000 . 8.000 5.795 5.636 6.001 . 0 0 "[ . 1 .]" 1
727 1 78 ARG HA 1 81 ILE H 2.000 . 4.000 3.613 3.354 3.813 . 0 0 "[ . 1 .]" 1
728 1 79 GLU HA 1 81 ILE H 2.000 . 5.000 4.601 4.449 4.683 . 0 0 "[ . 1 .]" 1
729 1 80 LYS HA 1 81 ILE H 2.000 . 4.500 3.571 3.544 3.585 . 0 0 "[ . 1 .]" 1
730 1 80 LYS QB 1 81 ILE H 2.000 . 5.000 2.533 2.441 2.658 . 0 0 "[ . 1 .]" 1
731 1 81 ILE H 1 81 ILE HB 2.000 . 4.000 3.610 3.595 3.623 . 0 0 "[ . 1 .]" 1
732 1 81 ILE H 1 81 ILE QG 2.000 . 4.000 1.790 1.738 1.833 0.062 5 0 "[ . 1 .]" 1
733 1 81 ILE H 1 81 ILE MG 2.000 . 5.500 2.469 2.353 2.704 . 0 0 "[ . 1 .]" 1
734 1 81 ILE H 1 81 ILE MD 2.000 . 6.500 3.555 3.508 3.581 . 0 0 "[ . 1 .]" 1
735 1 81 ILE H 1 82 GLY H 2.000 . 2.800 2.499 2.380 2.567 . 0 0 "[ . 1 .]" 1
736 1 23 LEU QD 1 82 GLY H 2.000 . 7.500 4.965 4.704 5.220 . 0 0 "[ . 1 .]" 1
737 1 79 GLU HA 1 82 GLY H 2.000 . 4.500 3.536 3.361 3.854 . 0 0 "[ . 1 .]" 1
738 1 80 LYS HA 1 82 GLY H 2.000 . 5.500 4.248 3.920 4.830 . 0 0 "[ . 1 .]" 1
739 1 80 LYS QB 1 82 GLY H 2.000 . 5.500 4.487 4.367 4.720 . 0 0 "[ . 1 .]" 1
740 1 81 ILE HA 1 82 GLY H 2.000 . 4.500 3.478 3.420 3.560 . 0 0 "[ . 1 .]" 1
741 1 81 ILE HB 1 82 GLY H 2.000 . 4.000 3.855 3.479 4.012 0.012 1 0 "[ . 1 .]" 1
742 1 81 ILE QG 1 82 GLY H 2.000 . 4.500 2.292 1.842 2.541 . 0 0 "[ . 1 .]" 1
743 1 81 ILE MG 1 82 GLY H 2.000 . 6.000 4.120 4.054 4.211 . 0 0 "[ . 1 .]" 1
744 1 81 ILE MD 1 82 GLY H 2.000 . 6.000 4.044 3.612 4.267 . 0 0 "[ . 1 .]" 1
745 1 82 GLY H 1 82 GLY QA 2.000 . 2.800 2.285 2.260 2.319 . 0 0 "[ . 1 .]" 1
746 1 82 GLY H 1 83 LYS H 2.000 . 4.000 3.073 2.930 3.405 . 0 0 "[ . 1 .]" 1
747 1 79 GLU HA 1 83 LYS H 2.000 . 5.000 3.731 3.128 4.746 . 0 0 "[ . 1 .]" 1
748 1 81 ILE HB 1 83 LYS H 2.000 . 5.500 5.583 5.513 5.703 0.203 9 0 "[ . 1 .]" 1
749 1 82 GLY QA 1 83 LYS H 2.000 . 2.800 2.276 2.165 2.323 . 0 0 "[ . 1 .]" 1
750 1 83 LYS H 1 83 LYS QB 2.000 . 4.500 2.499 2.280 2.584 . 0 0 "[ . 1 .]" 1
751 1 83 LYS H 1 83 LYS QG 2.000 . 5.000 2.175 1.951 3.993 . 0 0 "[ . 1 .]" 1
752 1 83 LYS H 1 83 LYS QD 2.000 . 5.000 3.798 3.516 4.421 . 0 0 "[ . 1 .]" 1
753 1 81 ILE MD 1 84 SER H 2.000 . 7.500 5.957 5.660 6.198 . 0 0 "[ . 1 .]" 1
754 1 82 GLY QA 1 84 SER H 2.000 . 5.500 2.954 2.923 3.010 . 0 0 "[ . 1 .]" 1
755 1 83 LYS HA 1 84 SER H 2.000 . 4.500 3.436 3.425 3.458 . 0 0 "[ . 1 .]" 1
756 1 83 LYS QB 1 84 SER H 2.000 . 5.000 3.634 3.045 3.696 . 0 0 "[ . 1 .]" 1
757 1 83 LYS QG 1 84 SER H 2.000 . 5.500 2.593 2.469 3.882 . 0 0 "[ . 1 .]" 1
758 1 83 LYS QD 1 84 SER H 2.000 . 6.500 4.611 4.405 5.165 . 0 0 "[ . 1 .]" 1
759 1 84 SER H 1 84 SER QB 2.000 . 4.500 2.405 2.251 2.614 . 0 0 "[ . 1 .]" 1
760 1 84 SER H 1 85 ARG H 2.000 . 2.800 2.887 2.800 2.936 0.136 6 0 "[ . 1 .]" 1
761 1 84 SER H 1 86 ILE H 2.000 . 5.500 3.973 3.878 4.096 . 0 0 "[ . 1 .]" 1
762 1 28 LEU QD 1 85 ARG H 2.000 . 7.500 5.636 5.594 5.698 . 0 0 "[ . 1 .]" 1
763 1 82 GLY QA 1 85 ARG H 2.000 . 6.000 3.778 3.538 4.023 . 0 0 "[ . 1 .]" 1
764 1 84 SER HA 1 85 ARG H 2.000 . 4.500 3.583 3.570 3.596 . 0 0 "[ . 1 .]" 1
765 1 84 SER QB 1 85 ARG H 2.000 . 6.500 2.682 2.246 3.319 . 0 0 "[ . 1 .]" 1
766 1 85 ARG H 1 85 ARG QB 2.000 . 4.000 2.436 2.175 2.811 . 0 0 "[ . 1 .]" 1
767 1 85 ARG H 1 85 ARG QG 2.000 . 4.500 2.800 1.855 3.902 . 0 0 "[ . 1 .]" 1
768 1 85 ARG H 1 85 ARG HE 2.000 . 6.500 4.577 2.367 6.563 0.063 9 0 "[ . 1 .]" 1
769 1 85 ARG H 1 86 ILE H 2.000 . 2.800 2.744 2.632 2.906 0.106 9 0 "[ . 1 .]" 1
770 1 84 SER HA 1 86 ILE H 2.000 . 4.500 3.668 3.453 3.889 . 0 0 "[ . 1 .]" 1
771 1 85 ARG HA 1 86 ILE H 2.000 . 4.500 3.241 3.197 3.447 . 0 0 "[ . 1 .]" 1
772 1 85 ARG QB 1 86 ILE H 2.000 . 5.500 3.560 3.111 3.930 . 0 0 "[ . 1 .]" 1
773 1 85 ARG QG 1 86 ILE H 2.000 . 6.000 4.381 3.099 4.977 . 0 0 "[ . 1 .]" 1
774 1 86 ILE H 1 86 ILE HB 2.000 . 3.500 2.879 2.663 3.748 0.248 9 0 "[ . 1 .]" 1
775 1 86 ILE H 1 86 ILE MG 2.000 . 6.500 3.750 2.254 4.002 . 0 0 "[ . 1 .]" 1
776 1 86 ILE H 1 86 ILE MD 2.000 . 6.500 3.384 2.357 4.782 . 0 0 "[ . 1 .]" 1
777 1 86 ILE HA 1 87 ARG H 2.000 . 4.000 2.372 2.165 2.458 . 0 0 "[ . 1 .]" 1
778 1 86 ILE HB 1 87 ARG H 2.000 . 4.500 3.620 2.393 4.286 . 0 0 "[ . 1 .]" 1
779 1 86 ILE QG 1 87 ARG H 2.000 . 5.500 3.965 1.930 4.474 . 0 0 "[ . 1 .]" 1
780 1 86 ILE MG 1 87 ARG H 2.000 . 6.000 2.228 1.796 3.620 0.004 7 0 "[ . 1 .]" 1
781 1 86 ILE MD 1 87 ARG H 2.000 . 6.500 4.472 3.619 5.216 . 0 0 "[ . 1 .]" 1
782 1 87 ARG H 1 87 ARG QB 2.000 . 4.000 2.585 2.354 2.694 . 0 0 "[ . 1 .]" 1
783 1 87 ARG H 1 88 THR H 2.000 . 5.500 4.216 3.936 4.554 . 0 0 "[ . 1 .]" 1
784 1 87 ARG H 1 95 MET H 2.000 . 3.500 3.387 2.854 3.593 0.093 4 0 "[ . 1 .]" 1
785 1 87 ARG H 1 95 MET QB 2.000 . 7.000 4.440 4.070 5.218 . 0 0 "[ . 1 .]" 1
786 1 87 ARG H 1 96 LEU HA 2.000 . 5.000 3.186 2.500 3.605 . 0 0 "[ . 1 .]" 1
787 1 87 ARG H 1 97 ALA H 2.000 . 4.500 4.042 3.301 4.414 . 0 0 "[ . 1 .]" 1
788 1 86 ILE MG 1 88 THR H 2.000 . 8.000 4.202 3.346 6.327 . 0 0 "[ . 1 .]" 1
789 1 87 ARG HA 1 88 THR H 2.000 . 2.800 2.205 2.169 2.281 . 0 0 "[ . 1 .]" 1
790 1 87 ARG QB 1 88 THR H 2.000 . 4.500 3.755 3.208 4.018 . 0 0 "[ . 1 .]" 1
791 1 88 THR H 1 88 THR MG 2.000 . 6.000 1.934 1.784 2.121 0.016 15 0 "[ . 1 .]" 1
792 1 88 THR H 1 89 VAL H 2.000 . 5.000 4.593 4.565 4.617 . 0 0 "[ . 1 .]" 1
793 1 88 THR HA 1 89 VAL H 2.000 . 5.000 2.226 2.195 2.257 . 0 0 "[ . 1 .]" 1
794 1 88 THR HB 1 89 VAL H 2.000 . 5.500 3.222 3.102 3.441 . 0 0 "[ . 1 .]" 1
795 1 89 VAL H 1 89 VAL HB 2.000 . 3.500 2.585 2.500 2.889 . 0 0 "[ . 1 .]" 1
796 1 89 VAL H 1 89 VAL QG 2.000 . 5.000 2.329 1.802 2.481 . 0 0 "[ . 1 .]" 1
797 1 89 VAL H 1 94 TYR HA 2.000 . 4.000 2.826 2.227 3.293 . 0 0 "[ . 1 .]" 1
798 1 89 VAL H 1 94 TYR QE 2.000 . 7.000 5.235 4.049 5.971 . 0 0 "[ . 1 .]" 1
799 1 89 VAL H 1 95 MET H 2.000 . 5.000 4.447 3.912 4.851 . 0 0 "[ . 1 .]" 1
800 1 91 GLY QA 1 92 PHE H 2.000 . 4.500 2.667 2.322 2.939 . 0 0 "[ . 1 .]" 1
801 1 92 PHE H 1 92 PHE HA 2.000 . 2.800 2.938 2.862 2.978 0.178 3 0 "[ . 1 .]" 1
802 1 92 PHE H 1 92 PHE QB 2.000 . 3.500 2.555 2.202 3.187 . 0 0 "[ . 1 .]" 1
803 1 92 PHE H 1 94 TYR QD 2.000 . 7.000 5.853 5.360 6.344 . 0 0 "[ . 1 .]" 1
804 1 50 HIS HA 1 92 PHE QD 2.000 . 6.500 4.126 3.764 4.608 . 0 0 "[ . 1 .]" 1
805 1 92 PHE HA 1 92 PHE QD 2.000 . 5.000 2.948 2.649 3.682 . 0 0 "[ . 1 .]" 1
806 1 92 PHE QB 1 92 PHE QD 2.000 . 4.500 2.162 2.152 2.196 . 0 0 "[ . 1 .]" 1
807 1 50 HIS HA 1 92 PHE QE 2.000 . 6.500 3.323 2.824 4.118 . 0 0 "[ . 1 .]" 1
808 1 50 HIS QB 1 92 PHE QE 2.000 . 7.000 3.594 3.302 4.178 . 0 0 "[ . 1 .]" 1
809 1 50 HIS QB 1 92 PHE HZ 2.000 . 6.500 3.591 3.181 4.444 . 0 0 "[ . 1 .]" 1
810 1 89 VAL HA 1 93 GLY H 2.000 . 5.500 5.484 5.144 5.544 0.044 7 0 "[ . 1 .]" 1
811 1 92 PHE HA 1 93 GLY H 2.000 . 5.000 3.488 3.040 3.580 . 0 0 "[ . 1 .]" 1
812 1 92 PHE QB 1 93 GLY H 2.000 . 4.500 2.508 1.975 4.037 . 0 0 "[ . 1 .]" 1
813 1 93 GLY H 1 94 TYR QD 2.000 . 7.000 4.857 4.338 5.308 . 0 0 "[ . 1 .]" 1
814 1 48 PRO HA 1 94 TYR H 2.000 . 3.500 3.424 3.091 3.557 0.057 8 0 "[ . 1 .]" 1
815 1 49 VAL HB 1 94 TYR H 2.000 . 4.000 3.221 2.977 4.050 0.050 1 0 "[ . 1 .]" 1
816 1 93 GLY QA 1 94 TYR H 2.000 . 3.500 2.231 2.200 2.283 . 0 0 "[ . 1 .]" 1
817 1 94 TYR H 1 94 TYR QB 2.000 . 4.000 2.693 2.497 2.730 . 0 0 "[ . 1 .]" 1
818 1 94 TYR H 1 94 TYR QD 2.000 . 8.000 3.409 3.069 3.587 . 0 0 "[ . 1 .]" 1
819 1 94 TYR H 1 94 TYR QE 2.000 . 6.500 5.519 5.330 5.691 . 0 0 "[ . 1 .]" 1
820 1 88 THR HA 1 94 TYR QD 2.000 . 4.500 3.224 2.344 3.766 . 0 0 "[ . 1 .]" 1
821 1 88 THR HB 1 94 TYR QD 2.000 . 4.500 4.117 3.582 4.443 . 0 0 "[ . 1 .]" 1
822 1 88 THR MG 1 94 TYR QD 2.000 . 5.500 2.912 2.693 3.261 . 0 0 "[ . 1 .]" 1
823 1 94 TYR HA 1 94 TYR QD 2.000 . 5.000 2.975 2.848 3.040 . 0 0 "[ . 1 .]" 1
824 1 94 TYR QB 1 94 TYR QD 2.000 . 5.000 2.151 2.147 2.163 . 0 0 "[ . 1 .]" 1
825 1 74 ILE MD 1 94 TYR QE 2.000 . 7.000 4.347 4.007 5.153 . 0 0 "[ . 1 .]" 1
826 1 74 ILE QG 1 94 TYR QE 2.000 . 7.500 5.639 4.889 6.058 . 0 0 "[ . 1 .]" 1
827 1 74 ILE MG 1 94 TYR QE 2.000 . 6.500 3.658 3.215 4.042 . 0 0 "[ . 1 .]" 1
828 1 86 ILE MG 1 95 MET H 2.000 . 6.000 3.288 2.557 4.969 . 0 0 "[ . 1 .]" 1
829 1 88 THR HA 1 95 MET H 2.000 . 5.500 3.519 3.013 3.761 . 0 0 "[ . 1 .]" 1
830 1 88 THR MG 1 95 MET H 2.000 . 7.500 4.722 4.405 5.037 . 0 0 "[ . 1 .]" 1
831 1 94 TYR HA 1 95 MET H 2.000 . 2.800 2.413 2.306 2.530 . 0 0 "[ . 1 .]" 1
832 1 94 TYR QB 1 95 MET H 2.000 . 4.500 2.580 2.357 2.903 . 0 0 "[ . 1 .]" 1
833 1 94 TYR QE 1 95 MET H 2.000 . 6.000 5.472 5.411 5.557 . 0 0 "[ . 1 .]" 1
834 1 95 MET H 1 95 MET QB 2.000 . 4.500 2.848 2.746 3.109 . 0 0 "[ . 1 .]" 1
835 1 95 MET H 1 95 MET QG 2.000 . 5.500 4.096 2.463 4.389 . 0 0 "[ . 1 .]" 1
836 1 45 ALA HA 1 96 LEU H 2.000 . 5.000 3.086 2.892 3.345 . 0 0 "[ . 1 .]" 1
837 1 95 MET HA 1 96 LEU H 2.000 . 3.500 2.174 2.152 2.213 . 0 0 "[ . 1 .]" 1
838 1 95 MET QB 1 96 LEU H 2.000 . 4.500 3.699 3.267 3.832 . 0 0 "[ . 1 .]" 1
839 1 95 MET QG 1 96 LEU H 2.000 . 5.000 2.738 2.247 4.370 . 0 0 "[ . 1 .]" 1
840 1 96 LEU H 1 96 LEU QB 2.000 . 4.500 2.239 2.219 2.257 . 0 0 "[ . 1 .]" 1
841 1 96 LEU H 1 96 LEU QD 2.000 . 7.000 2.203 2.082 2.362 . 0 0 "[ . 1 .]" 1
842 1 85 ARG HA 1 97 ALA H 2.000 . 5.500 5.350 4.881 5.535 0.035 1 0 "[ . 1 .]" 1
843 1 86 ILE HA 1 97 ALA H 2.000 . 5.000 3.308 2.521 3.829 . 0 0 "[ . 1 .]" 1
844 1 87 ARG QB 1 97 ALA H 2.000 . 6.000 4.026 3.312 4.571 . 0 0 "[ . 1 .]" 1
845 1 86 ILE MG 1 97 ALA H 2.000 . 6.500 4.639 3.806 5.427 . 0 0 "[ . 1 .]" 1
846 1 96 LEU HA 1 97 ALA H 2.000 . 2.800 2.227 2.190 2.276 . 0 0 "[ . 1 .]" 1
847 1 96 LEU QB 1 97 ALA H 2.000 . 5.000 3.150 2.976 3.340 . 0 0 "[ . 1 .]" 1
848 1 96 LEU HG 1 97 ALA H 2.000 . 4.500 3.953 3.775 4.055 . 0 0 "[ . 1 .]" 1
849 1 96 LEU QD 1 97 ALA H 2.000 . 7.500 4.022 3.971 4.084 . 0 0 "[ . 1 .]" 1
850 1 97 ALA H 1 97 ALA MB 2.000 . 5.500 2.249 2.235 2.269 . 0 0 "[ . 1 .]" 1
851 1 9 VAL QG 1 98 ASN H 2.000 . 8.000 4.563 4.257 5.120 . 0 0 "[ . 1 .]" 1
852 1 46 GLY QA 1 98 ASN H 2.000 . 5.500 3.916 3.438 4.332 . 0 0 "[ . 1 .]" 1
853 1 46 GLY H 1 98 ASN H 2.000 . 5.500 5.262 4.596 5.510 0.010 8 0 "[ . 1 .]" 1
854 1 87 ARG QB 1 98 ASN H 2.000 . 7.500 6.210 5.612 6.714 . 0 0 "[ . 1 .]" 1
855 1 97 ALA HA 1 98 ASN H 2.000 . 2.800 2.205 2.189 2.243 . 0 0 "[ . 1 .]" 1
856 1 97 ALA MB 1 98 ASN H 2.000 . 5.500 3.273 2.986 3.524 . 0 0 "[ . 1 .]" 1
857 1 98 ASN H 1 98 ASN QB 2.000 . 3.500 2.444 2.257 2.664 . 0 0 "[ . 1 .]" 1
858 1 45 ALA MB 1 98 ASN QD 2.000 . 6.500 3.618 2.369 4.383 . 0 0 "[ . 1 .]" 1
859 1 46 GLY QA 1 98 ASN QD 2.000 . 5.000 2.501 1.702 3.683 0.098 11 0 "[ . 1 .]" 1
860 1 98 ASN HA 1 98 ASN QD 2.000 . 5.500 2.982 1.880 4.114 . 0 0 "[ . 1 .]" 1
861 1 98 ASN QB 1 98 ASN QD 2.000 . 3.500 2.433 2.199 2.805 . 0 0 "[ . 1 .]" 1
862 1 97 ALA MB 1 99 ASN H 2.000 . 6.000 3.841 2.561 4.900 . 0 0 "[ . 1 .]" 1
863 1 98 ASN HA 1 99 ASN H 2.000 . 3.500 2.810 2.191 3.564 0.064 12 0 "[ . 1 .]" 1
864 1 98 ASN QB 1 99 ASN H 2.000 . 4.500 3.157 1.796 4.047 0.004 11 0 "[ . 1 .]" 1
865 1 99 ASN H 1 99 ASN QB 2.000 . 4.500 3.188 2.844 3.440 . 0 0 "[ . 1 .]" 1
866 1 99 ASN HA 1 100 ILE H 2.000 . 2.800 2.475 2.185 2.837 0.037 12 0 "[ . 1 .]" 1
867 1 99 ASN QB 1 100 ILE H 2.000 . 4.500 3.731 3.233 3.945 . 0 0 "[ . 1 .]" 1
868 1 100 ILE H 1 100 ILE HB 2.000 . 3.500 2.723 2.619 3.035 . 0 0 "[ . 1 .]" 1
869 1 100 ILE H 1 100 ILE QG 2.000 . 4.500 1.928 1.774 2.674 0.026 15 0 "[ . 1 .]" 1
870 1 100 ILE H 1 100 ILE MG 2.000 . 6.500 3.796 3.744 4.028 . 0 0 "[ . 1 .]" 1
871 1 100 ILE H 1 100 ILE MD 2.000 . 6.500 3.339 2.445 4.207 . 0 0 "[ . 1 .]" 1
872 1 99 ASN HA 1 101 ASP H 2.000 . 3.500 3.140 2.934 3.509 0.009 7 0 "[ . 1 .]" 1
873 1 100 ILE HA 1 101 ASP H 2.000 . 3.200 3.322 3.236 3.360 0.160 7 0 "[ . 1 .]" 1
874 1 100 ILE HB 1 101 ASP H 2.000 . 3.500 3.342 3.188 3.571 0.071 15 0 "[ . 1 .]" 1
875 1 100 ILE QG 1 101 ASP H 2.000 . 4.500 3.951 3.893 3.999 . 0 0 "[ . 1 .]" 1
876 1 100 ILE MG 1 101 ASP H 2.000 . 6.500 4.114 4.000 4.242 . 0 0 "[ . 1 .]" 1
877 1 101 ASP H 1 101 ASP QB 2.000 . 4.000 2.663 2.280 3.385 . 0 0 "[ . 1 .]" 1
878 1 99 ASN HA 1 102 THR H 2.000 . 4.500 4.170 3.488 4.543 0.043 15 0 "[ . 1 .]" 1
879 1 100 ILE HB 1 102 THR H 2.000 . 5.500 5.030 3.658 5.510 0.010 9 0 "[ . 1 .]" 1
880 1 100 ILE QG 1 102 THR H 2.000 . 6.500 5.370 4.756 5.689 . 0 0 "[ . 1 .]" 1
881 1 100 ILE MG 1 102 THR H 2.000 . 7.500 4.948 4.500 5.656 . 0 0 "[ . 1 .]" 1
882 1 101 ASP HA 1 102 THR H 2.000 . 3.500 3.393 2.760 3.551 0.051 1 0 "[ . 1 .]" 1
883 1 101 ASP QB 1 102 THR H 2.000 . 4.500 3.172 2.476 3.945 . 0 0 "[ . 1 .]" 1
884 1 102 THR H 1 102 THR HB 2.000 . 4.000 3.224 2.479 3.648 . 0 0 "[ . 1 .]" 1
885 1 102 THR H 1 102 THR MG 2.000 . 6.000 2.816 2.005 4.039 . 0 0 "[ . 1 .]" 1
886 1 102 THR HA 1 103 GLU H 2.000 . 3.500 2.567 2.203 3.524 0.024 8 0 "[ . 1 .]" 1
887 1 102 THR HB 1 103 GLU H 2.000 . 4.500 3.702 1.824 4.502 0.002 1 0 "[ . 1 .]" 1
888 1 102 THR MG 1 103 GLU H 2.000 . 6.500 3.585 2.278 4.328 . 0 0 "[ . 1 .]" 1
889 1 103 GLU H 1 103 GLU QB 2.000 . 4.000 2.697 2.258 3.381 . 0 0 "[ . 1 .]" 1
890 1 103 GLU H 1 103 GLU QG 2.000 . 5.500 3.085 1.821 4.210 . 0 0 "[ . 1 .]" 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 82
_Distance_constraint_stats_list.Viol_count 137
_Distance_constraint_stats_list.Viol_total 71.828
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0350
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ASN 0.734 0.104 13 0 "[ . 1 .]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 9 VAL 0.022 0.022 10 0 "[ . 1 .]"
1 11 ASN 1.095 0.111 8 0 "[ . 1 .]"
1 12 LEU 0.022 0.022 10 0 "[ . 1 .]"
1 13 ARG 0.577 0.062 3 0 "[ . 1 .]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 15 ASN 0.045 0.028 6 0 "[ . 1 .]"
1 17 THR 0.734 0.104 13 0 "[ . 1 .]"
1 20 LEU 0.045 0.028 6 0 "[ . 1 .]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 22 TRP 0.577 0.062 3 0 "[ . 1 .]"
1 23 LEU 0.038 0.019 8 0 "[ . 1 .]"
1 24 GLY 1.095 0.111 8 0 "[ . 1 .]"
1 26 THR 0.038 0.019 8 0 "[ . 1 .]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 31 THR 0.011 0.011 3 0 "[ . 1 .]"
1 32 PRO 0.298 0.049 2 0 "[ . 1 .]"
1 33 LYS 0.149 0.063 11 0 "[ . 1 .]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 35 TYR 0.011 0.011 3 0 "[ . 1 .]"
1 36 ALA 0.902 0.087 11 0 "[ . 1 .]"
1 37 LEU 0.152 0.063 11 0 "[ . 1 .]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 39 SER 0.000 0.000 . 0 "[ . 1 .]"
1 40 ARG 0.748 0.087 11 0 "[ . 1 .]"
1 41 LEU 0.003 0.003 10 0 "[ . 1 .]"
1 42 MET 0.020 0.020 15 0 "[ . 1 .]"
1 44 LYS 0.214 0.039 12 0 "[ . 1 .]"
1 45 ALA 0.020 0.020 15 0 "[ . 1 .]"
1 47 SER 0.070 0.032 12 0 "[ . 1 .]"
1 49 VAL 0.022 0.016 4 0 "[ . 1 .]"
1 51 ARG 0.043 0.019 13 0 "[ . 1 .]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 55 TYR 0.095 0.052 4 0 "[ . 1 .]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 59 TYR 0.052 0.052 4 0 "[ . 1 .]"
1 69 THR 0.000 0.000 . 0 "[ . 1 .]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 73 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 75 HIS 0.710 0.077 1 0 "[ . 1 .]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 78 ARG 0.002 0.002 5 0 "[ . 1 .]"
1 79 GLU 0.710 0.077 1 0 "[ . 1 .]"
1 81 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 82 GLY 0.002 0.002 5 0 "[ . 1 .]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 87 ARG 0.149 0.038 15 0 "[ . 1 .]"
1 94 TYR 0.022 0.016 4 0 "[ . 1 .]"
1 95 MET 0.149 0.038 15 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ILE H 1 14 LEU O 2.300 . 2.500 2.083 1.941 2.320 . 0 0 "[ . 1 .]" 2
2 1 7 ILE N 1 14 LEU O 3.300 2.500 3.500 2.993 2.866 3.187 . 0 0 "[ . 1 .]" 2
3 1 9 VAL H 1 12 LEU O 2.300 . 2.500 1.921 1.803 1.994 . 0 0 "[ . 1 .]" 2
4 1 9 VAL N 1 12 LEU O 3.300 2.500 3.500 2.870 2.745 2.938 . 0 0 "[ . 1 .]" 2
5 1 9 VAL O 1 12 LEU H 2.300 . 2.500 2.341 2.161 2.522 0.022 10 0 "[ . 1 .]" 2
6 1 9 VAL O 1 12 LEU N 3.300 2.500 3.500 3.288 3.089 3.473 . 0 0 "[ . 1 .]" 2
7 1 13 ARG H 1 22 TRP O 2.300 . 2.500 2.531 2.434 2.562 0.062 3 0 "[ . 1 .]" 2
8 1 13 ARG N 1 22 TRP O 3.300 2.500 3.500 3.462 3.381 3.527 0.027 5 0 "[ . 1 .]" 2
9 1 7 ILE O 1 14 LEU H 2.300 . 2.500 1.843 1.703 1.960 . 0 0 "[ . 1 .]" 2
10 1 7 ILE O 1 14 LEU N 3.300 2.500 3.500 2.784 2.662 2.889 . 0 0 "[ . 1 .]" 2
11 1 15 ASN H 1 20 LEU O 2.300 . 2.500 2.224 2.019 2.528 0.028 6 0 "[ . 1 .]" 2
12 1 15 ASN N 1 20 LEU O 3.300 2.500 3.500 3.081 2.919 3.431 . 0 0 "[ . 1 .]" 2
13 1 5 ASN O 1 17 THR H 2.300 . 2.500 2.549 2.507 2.604 0.104 13 0 "[ . 1 .]" 2
14 1 5 ASN O 1 17 THR N 3.300 2.500 3.500 3.425 3.351 3.501 0.001 1 0 "[ . 1 .]" 2
15 1 15 ASN O 1 20 LEU H 2.300 . 2.500 2.228 2.057 2.467 . 0 0 "[ . 1 .]" 2
16 1 15 ASN O 1 20 LEU N 3.300 2.500 3.500 3.077 2.926 3.263 . 0 0 "[ . 1 .]" 2
17 1 13 ARG O 1 22 TRP H 2.300 . 2.500 2.199 2.006 2.466 . 0 0 "[ . 1 .]" 2
18 1 13 ARG O 1 22 TRP N 3.300 2.500 3.500 3.124 2.936 3.326 . 0 0 "[ . 1 .]" 2
19 1 11 ASN O 1 24 GLY H 2.300 . 2.500 2.572 2.507 2.611 0.111 8 0 "[ . 1 .]" 2
20 1 11 ASN O 1 24 GLY N 3.300 2.500 3.500 3.461 3.417 3.509 0.009 8 0 "[ . 1 .]" 2
21 1 23 LEU O 1 26 THR H 2.300 . 2.500 2.206 1.955 2.519 0.019 8 0 "[ . 1 .]" 2
22 1 23 LEU O 1 26 THR N 3.300 2.500 3.500 3.097 2.837 3.410 . 0 0 "[ . 1 .]" 2
23 1 21 VAL O 1 28 LEU H 2.300 . 2.500 1.977 1.728 2.442 . 0 0 "[ . 1 .]" 2
24 1 21 VAL O 1 28 LEU N 3.300 2.500 3.500 2.848 2.578 3.313 . 0 0 "[ . 1 .]" 2
25 1 31 THR O 1 35 TYR H 2.300 . 2.500 2.412 2.266 2.511 0.011 3 0 "[ . 1 .]" 2
26 1 31 THR O 1 35 TYR N 3.300 2.500 3.500 3.303 3.123 3.399 . 0 0 "[ . 1 .]" 2
27 1 32 PRO O 1 36 ALA H 2.300 . 2.500 2.496 2.238 2.549 0.049 2 0 "[ . 1 .]" 2
28 1 32 PRO O 1 36 ALA N 3.300 2.500 3.500 3.302 3.052 3.355 . 0 0 "[ . 1 .]" 2
29 1 33 LYS O 1 37 LEU H 2.300 . 2.500 2.410 2.165 2.563 0.063 11 0 "[ . 1 .]" 2
30 1 33 LYS O 1 37 LEU N 3.300 2.500 3.500 3.352 3.129 3.491 . 0 0 "[ . 1 .]" 2
31 1 34 GLU O 1 38 LEU H 2.300 . 2.500 1.817 1.695 2.051 . 0 0 "[ . 1 .]" 2
32 1 34 GLU O 1 38 LEU N 3.300 2.500 3.500 2.761 2.600 2.981 . 0 0 "[ . 1 .]" 2
33 1 35 TYR O 1 39 SER H 2.300 . 2.500 2.027 1.840 2.302 . 0 0 "[ . 1 .]" 2
34 1 35 TYR O 1 39 SER N 3.300 2.500 3.500 2.915 2.712 3.196 . 0 0 "[ . 1 .]" 2
35 1 36 ALA O 1 40 ARG H 2.300 . 2.500 2.519 2.285 2.587 0.087 11 0 "[ . 1 .]" 2
36 1 36 ALA O 1 40 ARG N 3.300 2.500 3.500 3.384 3.195 3.443 . 0 0 "[ . 1 .]" 2
37 1 37 LEU O 1 41 LEU H 2.300 . 2.500 2.163 1.935 2.503 0.003 10 0 "[ . 1 .]" 2
38 1 37 LEU O 1 41 LEU N 3.300 2.500 3.500 3.107 2.909 3.402 . 0 0 "[ . 1 .]" 2
39 1 38 LEU O 1 42 MET H 2.300 . 2.500 1.958 1.725 2.261 . 0 0 "[ . 1 .]" 2
40 1 38 LEU O 1 42 MET N 3.300 2.500 3.500 2.919 2.696 3.213 . 0 0 "[ . 1 .]" 2
41 1 40 ARG O 1 44 LYS H 2.300 . 2.500 2.482 2.411 2.539 0.039 12 0 "[ . 1 .]" 2
42 1 40 ARG O 1 44 LYS N 3.300 2.500 3.500 3.293 3.220 3.343 . 0 0 "[ . 1 .]" 2
43 1 42 MET O 1 45 ALA H 2.300 . 2.500 2.177 1.971 2.520 0.020 15 0 "[ . 1 .]" 2
44 1 42 MET O 1 45 ALA N 3.300 2.500 3.500 3.001 2.769 3.386 . 0 0 "[ . 1 .]" 2
45 1 44 LYS O 1 47 SER H 2.300 . 2.500 2.350 2.071 2.532 0.032 12 0 "[ . 1 .]" 2
46 1 44 LYS O 1 47 SER N 3.300 2.500 3.500 3.273 2.963 3.477 . 0 0 "[ . 1 .]" 2
47 1 49 VAL H 1 94 TYR O 2.300 . 2.500 1.876 1.766 2.038 . 0 0 "[ . 1 .]" 2
48 1 49 VAL N 1 94 TYR O 3.300 2.500 3.500 2.834 2.731 2.987 . 0 0 "[ . 1 .]" 2
49 1 51 ARG O 1 55 TYR H 2.300 . 2.500 2.346 2.004 2.519 0.019 13 0 "[ . 1 .]" 2
50 1 51 ARG O 1 55 TYR N 3.300 2.500 3.500 3.219 2.786 3.393 . 0 0 "[ . 1 .]" 2
51 1 54 LEU O 1 57 ASP H 2.300 . 2.500 2.157 1.745 2.486 . 0 0 "[ . 1 .]" 2
52 1 54 LEU O 1 57 ASP N 3.300 2.500 3.500 2.989 2.624 3.307 . 0 0 "[ . 1 .]" 2
53 1 55 TYR O 1 59 TYR H 2.300 . 2.500 2.073 1.829 2.492 . 0 0 "[ . 1 .]" 2
54 1 55 TYR O 1 59 TYR N 3.300 2.500 3.500 2.953 2.448 3.264 0.052 4 0 "[ . 1 .]" 2
55 1 69 THR O 1 73 HIS H 2.300 . 2.500 2.073 1.745 2.496 . 0 0 "[ . 1 .]" 2
56 1 69 THR O 1 73 HIS N 3.300 2.500 3.500 2.997 2.662 3.456 . 0 0 "[ . 1 .]" 2
57 1 70 LEU O 1 74 ILE H 2.300 . 2.500 2.309 1.945 2.464 . 0 0 "[ . 1 .]" 2
58 1 70 LEU O 1 74 ILE N 3.300 2.500 3.500 3.224 2.883 3.388 . 0 0 "[ . 1 .]" 2
59 1 71 GLU O 1 75 HIS H 2.300 . 2.500 2.228 1.873 2.397 . 0 0 "[ . 1 .]" 2
60 1 71 GLU O 1 75 HIS N 3.300 2.500 3.500 3.086 2.758 3.185 . 0 0 "[ . 1 .]" 2
61 1 72 VAL O 1 76 ASN H 2.300 . 2.500 2.016 1.710 2.258 . 0 0 "[ . 1 .]" 2
62 1 72 VAL O 1 76 ASN N 3.300 2.500 3.500 2.907 2.660 3.095 . 0 0 "[ . 1 .]" 2
63 1 73 HIS O 1 77 LEU H 2.300 . 2.500 1.926 1.811 2.125 . 0 0 "[ . 1 .]" 2
64 1 73 HIS O 1 77 LEU N 3.300 2.500 3.500 2.867 2.766 3.052 . 0 0 "[ . 1 .]" 2
65 1 74 ILE O 1 78 ARG H 2.300 . 2.500 1.740 1.646 2.040 . 0 0 "[ . 1 .]" 2
66 1 74 ILE O 1 78 ARG N 3.300 2.500 3.500 2.677 2.542 2.965 . 0 0 "[ . 1 .]" 2
67 1 75 HIS O 1 79 GLU H 2.300 . 2.500 2.544 2.528 2.577 0.077 1 0 "[ . 1 .]" 2
68 1 75 HIS O 1 79 GLU N 3.300 2.500 3.500 3.498 3.457 3.511 0.011 13 0 "[ . 1 .]" 2
69 1 77 LEU O 1 81 ILE H 2.300 . 2.500 2.190 2.095 2.425 . 0 0 "[ . 1 .]" 2
70 1 77 LEU O 1 81 ILE N 3.300 2.500 3.500 3.117 3.027 3.295 . 0 0 "[ . 1 .]" 2
71 1 78 ARG O 1 82 GLY H 2.300 . 2.500 2.165 1.715 2.502 0.002 5 0 "[ . 1 .]" 2
72 1 78 ARG O 1 82 GLY N 3.300 2.500 3.500 3.011 2.665 3.267 . 0 0 "[ . 1 .]" 2
73 1 82 GLY O 1 85 ARG H 2.300 . 2.500 2.131 2.015 2.216 . 0 0 "[ . 1 .]" 2
74 1 82 GLY O 1 85 ARG N 3.300 2.500 3.500 2.947 2.780 3.098 . 0 0 "[ . 1 .]" 2
75 1 83 LYS O 1 86 ILE H 2.300 . 2.500 1.908 1.662 2.272 . 0 0 "[ . 1 .]" 2
76 1 83 LYS O 1 86 ILE N 3.300 2.500 3.500 2.800 2.540 3.132 . 0 0 "[ . 1 .]" 2
77 1 87 ARG H 1 95 MET O 2.300 . 2.500 2.264 1.703 2.528 0.028 11 0 "[ . 1 .]" 2
78 1 87 ARG N 1 95 MET O 3.300 2.500 3.500 3.080 2.549 3.436 . 0 0 "[ . 1 .]" 2
79 1 49 VAL O 1 94 TYR H 2.300 . 2.500 2.298 2.072 2.516 0.016 4 0 "[ . 1 .]" 2
80 1 49 VAL O 1 94 TYR N 3.300 2.500 3.500 3.032 2.788 3.304 . 0 0 "[ . 1 .]" 2
81 1 87 ARG O 1 95 MET H 2.300 . 2.500 2.376 2.076 2.538 0.038 15 0 "[ . 1 .]" 2
82 1 87 ARG O 1 95 MET N 3.300 2.500 3.500 3.135 2.908 3.390 . 0 0 "[ . 1 .]" 2
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