NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564697 |
2m9a   |
19288 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9a
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 834
_Distance_constraint_stats_list.Viol_count 1938
_Distance_constraint_stats_list.Viol_total 7496.538
_Distance_constraint_stats_list.Viol_max 1.299
_Distance_constraint_stats_list.Viol_rms 0.0990
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0225
_Distance_constraint_stats_list.Viol_average_violations_only 0.1934
_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 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 MET 0.566 0.077 8 0 "[ . 1 . 2]"
1 12 ARG 2.286 0.277 18 0 "[ . 1 . 2]"
1 13 ASP 7.263 0.288 16 0 "[ . 1 . 2]"
1 14 TYR 7.488 0.288 16 0 "[ . 1 . 2]"
1 15 ILE 13.332 0.544 8 19 "[*-*****+********* **]"
1 16 CYS 2.125 0.301 11 0 "[ . 1 . 2]"
1 17 GLU 2.713 0.293 13 0 "[ . 1 . 2]"
1 18 TYR 10.023 0.463 9 0 "[ . 1 . 2]"
1 19 CYS 3.475 0.255 11 0 "[ . 1 . 2]"
1 20 ALA 10.877 0.463 9 0 "[ . 1 . 2]"
1 21 ARG 2.228 0.495 11 0 "[ . 1 . 2]"
1 22 ALA 4.488 0.231 5 0 "[ . 1 . 2]"
1 23 PHE 4.283 0.334 12 0 "[ . 1 . 2]"
1 24 LYS 0.281 0.054 17 0 "[ . 1 . 2]"
1 25 SER 1.270 0.113 13 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 6.296 0.456 7 0 "[ . 1 . 2]"
1 29 LEU 14.370 0.456 7 0 "[ . 1 . 2]"
1 30 ALA 3.567 0.293 9 0 "[ . 1 . 2]"
1 31 VAL 1.838 0.198 19 0 "[ . 1 . 2]"
1 32 HIS 25.807 1.299 14 16 "[* ***-**** **+** **2]"
1 33 ARG 2.402 0.253 8 0 "[ . 1 . 2]"
1 34 MET 5.697 0.398 19 0 "[ . 1 . 2]"
1 35 ILE 8.231 0.505 9 1 "[ . +1 . 2]"
1 36 HIS 1.312 0.206 11 0 "[ . 1 . 2]"
1 37 THR 0.551 0.144 9 0 "[ . 1 . 2]"
1 38 GLY 0.116 0.070 2 0 "[ . 1 . 2]"
1 39 GLU 1.459 0.251 9 0 "[ . 1 . 2]"
1 40 LYS 1.639 0.251 9 0 "[ . 1 . 2]"
1 41 PRO 0.264 0.082 10 0 "[ . 1 . 2]"
1 42 LEU 3.071 0.280 13 0 "[ . 1 . 2]"
1 43 GLN 1.610 0.227 12 0 "[ . 1 . 2]"
1 44 CYS 2.720 0.216 3 0 "[ . 1 . 2]"
1 45 GLU 0.816 0.127 9 0 "[ . 1 . 2]"
1 46 ILE 19.852 1.257 15 9 "[ * *** * * + -*2]"
1 47 CYS 14.046 0.802 15 5 "[ -. * 1 +* *2]"
1 48 GLY 26.098 1.163 10 11 "[ * -**** + ** **2]"
1 49 PHE 29.579 1.089 9 20 [********+********-**]
1 50 THR 31.601 0.884 5 20 [****+************-**]
1 51 CYS 22.882 0.884 5 20 [****+*********-*****]
1 52 ARG 0.178 0.083 7 0 "[ . 1 . 2]"
1 53 GLN 0.228 0.083 7 0 "[ . 1 . 2]"
1 54 LYS 0.062 0.041 9 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.771 0.099 12 0 "[ . 1 . 2]"
1 57 LEU 8.998 0.223 2 0 "[ . 1 . 2]"
1 58 ASN 17.509 0.921 18 20 [**************-**+**]
1 59 TRP 18.947 0.921 18 20 [**************-**+**]
1 60 HIS 5.836 0.277 6 0 "[ . 1 . 2]"
1 61 MET 3.269 0.434 10 0 "[ . 1 . 2]"
1 62 LYS 1.786 0.253 16 0 "[ . 1 . 2]"
1 63 LYS 0.485 0.132 15 0 "[ . 1 . 2]"
1 64 HIS 6.265 1.257 15 1 "[ . 1 + 2]"
1 65 ASP 0.522 0.103 20 0 "[ . 1 . 2]"
1 66 ALA 0.635 0.107 1 0 "[ . 1 . 2]"
1 67 ASP 2.880 0.429 8 0 "[ . 1 . 2]"
1 68 SER 1.537 0.429 8 0 "[ . 1 . 2]"
1 69 PHE 0.101 0.065 19 0 "[ . 1 . 2]"
1 70 TYR 0.800 0.146 9 0 "[ . 1 . 2]"
1 71 GLN 2.150 0.252 4 0 "[ . 1 . 2]"
1 72 PHE 16.015 0.984 8 14 "[ * ****+***- .** **]"
1 73 SER 28.126 0.984 8 18 "[*******+***-* *** **]"
1 74 CYS 20.784 0.946 11 14 "[***** -**1+** * * *]"
1 75 ASN 0.020 0.011 1 0 "[ . 1 . 2]"
1 76 ILE 7.261 0.362 5 0 "[ . 1 . 2]"
1 77 CYS 9.924 1.282 6 5 "[ *+ * 1 * - 2]"
1 78 GLY 6.795 0.380 11 0 "[ . 1 . 2]"
1 79 LYS 21.330 1.282 6 5 "[ *+ * 1 * - 2]"
1 80 LYS 7.288 0.294 18 0 "[ . 1 . 2]"
1 81 PHE 8.515 0.294 18 0 "[ . 1 . 2]"
1 82 GLU 0.601 0.079 2 0 "[ . 1 . 2]"
1 83 LYS 23.338 0.901 2 20 [*+**********-*******]
1 84 LYS 18.677 0.901 2 20 [*+**********-*******]
1 85 ASP 0.169 0.169 10 0 "[ . 1 . 2]"
1 86 SER 8.398 0.403 13 0 "[ . 1 . 2]"
1 87 VAL 7.751 0.336 7 0 "[ . 1 . 2]"
1 88 VAL 6.806 0.341 2 0 "[ . 1 . 2]"
1 89 ALA 9.091 0.336 7 0 "[ . 1 . 2]"
1 90 HIS 9.238 0.341 2 0 "[ . 1 . 2]"
1 91 LYS 14.034 0.398 8 0 "[ . 1 . 2]"
1 92 ALA 3.621 0.213 3 0 "[ . 1 . 2]"
1 93 LYS 9.835 0.440 20 0 "[ . 1 . 2]"
1 94 SER 6.677 0.286 9 0 "[ . 1 . 2]"
1 95 HIS 4.824 0.227 4 0 "[ . 1 . 2]"
1 96 PRO 2.167 0.227 4 0 "[ . 1 . 2]"
1 97 GLU 9.638 0.369 15 0 "[ . 1 . 2]"
1 98 VAL 5.470 0.369 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 HIS HA 1 10 HIS QB 2.000 . 2.700 2.353 2.190 2.466 . 0 0 "[ . 1 . 2]" 1
2 1 10 HIS QB 1 10 HIS HD2 3.000 . 3.500 2.841 2.665 3.254 . 0 0 "[ . 1 . 2]" 1
3 1 11 MET HA 1 12 ARG H 3.000 . 3.500 3.075 2.148 3.577 0.077 8 0 "[ . 1 . 2]" 1
4 1 12 ARG H 1 12 ARG QB 3.000 . 3.500 2.730 2.285 3.252 . 0 0 "[ . 1 . 2]" 1
5 1 12 ARG H 1 12 ARG QG 4.000 . 5.000 3.665 2.103 4.443 . 0 0 "[ . 1 . 2]" 1
6 1 12 ARG H 1 13 ASP H 4.000 . 5.000 2.896 2.064 4.244 . 0 0 "[ . 1 . 2]" 1
7 1 12 ARG HA 1 12 ARG QB 2.000 . 2.700 2.395 2.207 2.581 . 0 0 "[ . 1 . 2]" 1
8 1 12 ARG HA 1 12 ARG QG 3.000 . 3.500 2.718 2.425 3.410 . 0 0 "[ . 1 . 2]" 1
9 1 12 ARG HA 1 13 ASP H 2.000 . 2.700 2.620 2.213 2.977 0.277 18 0 "[ . 1 . 2]" 1
10 1 12 ARG HA 1 13 ASP QB 4.000 . 5.000 4.903 4.335 5.128 0.128 1 0 "[ . 1 . 2]" 1
11 1 12 ARG QB 1 12 ARG QD 3.000 . 3.500 2.331 2.163 2.493 . 0 0 "[ . 1 . 2]" 1
12 1 12 ARG QB 1 13 ASP H 4.000 . 5.000 3.969 3.719 4.075 . 0 0 "[ . 1 . 2]" 1
13 1 12 ARG QD 1 12 ARG QG 2.000 . 2.700 2.068 2.004 2.114 . 0 0 "[ . 1 . 2]" 1
14 1 12 ARG QG 1 13 ASP H 4.000 . 5.000 4.224 2.799 4.971 . 0 0 "[ . 1 . 2]" 1
15 1 13 ASP H 1 13 ASP QB 3.000 . 3.500 2.907 2.559 3.441 . 0 0 "[ . 1 . 2]" 1
16 1 13 ASP H 1 14 TYR H 3.000 . 3.500 3.582 3.359 3.732 0.232 11 0 "[ . 1 . 2]" 1
17 1 13 ASP HA 1 14 TYR H 2.000 . 2.700 2.155 2.066 2.267 . 0 0 "[ . 1 . 2]" 1
18 1 13 ASP HA 1 22 ALA HA 4.000 . 5.000 4.237 3.061 4.980 . 0 0 "[ . 1 . 2]" 1
19 1 13 ASP HA 1 22 ALA MB 4.000 . 5.000 2.736 1.812 3.297 . 0 0 "[ . 1 . 2]" 1
20 1 13 ASP QB 1 14 TYR H 3.000 . 3.500 3.673 3.448 3.788 0.288 16 0 "[ . 1 . 2]" 1
21 1 13 ASP QB 1 15 ILE MD 3.000 . 3.500 2.546 2.052 3.492 . 0 0 "[ . 1 . 2]" 1
22 1 13 ASP QB 1 22 ALA MB 3.000 . 3.500 2.483 1.788 3.559 0.059 16 0 "[ . 1 . 2]" 1
23 1 13 ASP QB 1 23 PHE H 4.000 . 5.000 4.481 3.671 5.085 0.085 17 0 "[ . 1 . 2]" 1
24 1 14 TYR H 1 14 TYR QB 3.000 . 3.500 2.386 2.310 2.481 . 0 0 "[ . 1 . 2]" 1
25 1 14 TYR H 1 14 TYR QD 3.000 . 3.500 2.393 2.116 3.099 . 0 0 "[ . 1 . 2]" 1
26 1 14 TYR H 1 23 PHE H 3.000 . 3.500 2.900 2.237 3.359 . 0 0 "[ . 1 . 2]" 1
27 1 14 TYR HA 1 14 TYR QD 3.000 . 3.500 3.039 2.680 3.173 . 0 0 "[ . 1 . 2]" 1
28 1 14 TYR HA 1 15 ILE H 2.000 . 2.700 2.152 2.089 2.226 . 0 0 "[ . 1 . 2]" 1
29 1 14 TYR HA 1 15 ILE MD 4.000 . 5.000 4.042 3.566 4.949 . 0 0 "[ . 1 . 2]" 1
30 1 14 TYR HA 1 15 ILE HG12 4.000 . 5.000 3.570 3.101 4.797 . 0 0 "[ . 1 . 2]" 1
31 1 14 TYR QB 1 15 ILE H 4.000 . 5.000 3.376 2.998 3.573 . 0 0 "[ . 1 . 2]" 1
32 1 14 TYR QB 1 22 ALA HA 4.000 . 5.000 5.007 4.556 5.202 0.202 9 0 "[ . 1 . 2]" 1
33 1 14 TYR QB 1 23 PHE H 3.000 . 3.500 3.350 2.969 3.627 0.127 18 0 "[ . 1 . 2]" 1
34 1 14 TYR QB 1 29 LEU HB2 4.000 . 5.000 3.698 2.813 4.587 . 0 0 "[ . 1 . 2]" 1
35 1 14 TYR QB 1 29 LEU QD 3.000 . 3.500 2.060 1.887 2.637 . 0 0 "[ . 1 . 2]" 1
36 1 14 TYR QD 1 15 ILE H 4.000 . 5.000 4.381 3.996 4.734 . 0 0 "[ . 1 . 2]" 1
37 1 14 TYR QD 1 29 LEU QD 3.000 . 3.500 3.204 2.755 3.655 0.155 10 0 "[ . 1 . 2]" 1
38 1 15 ILE H 1 15 ILE HB 3.000 . 3.500 2.740 2.579 2.862 . 0 0 "[ . 1 . 2]" 1
39 1 15 ILE H 1 15 ILE MD 3.000 . 3.500 3.411 3.128 3.824 0.324 18 0 "[ . 1 . 2]" 1
40 1 15 ILE H 1 15 ILE HG12 3.000 . 3.500 2.590 2.238 3.571 0.071 18 0 "[ . 1 . 2]" 1
41 1 15 ILE H 1 15 ILE HG13 4.000 . 5.000 3.910 2.437 4.170 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE H 1 16 CYS H 4.000 . 5.000 4.375 4.024 4.509 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE HA 1 15 ILE MD 3.000 . 3.500 2.375 2.162 3.835 0.335 18 0 "[ . 1 . 2]" 1
44 1 15 ILE HA 1 15 ILE HG12 4.000 . 5.000 3.290 2.597 3.451 . 0 0 "[ . 1 . 2]" 1
45 1 15 ILE HA 1 15 ILE HG13 4.000 . 5.000 3.874 3.190 4.021 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE HA 1 15 ILE MG 3.000 . 3.500 2.379 2.312 2.441 . 0 0 "[ . 1 . 2]" 1
47 1 15 ILE HA 1 22 ALA HA 4.000 . 5.000 3.475 2.506 4.228 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE HB 1 15 ILE MD 2.000 . 2.700 3.198 2.479 3.244 0.544 8 19 "[*-*****+********* **]" 1
49 1 15 ILE MD 1 22 ALA H 4.000 . 5.000 4.161 3.655 5.042 0.042 18 0 "[ . 1 . 2]" 1
50 1 15 ILE MD 1 22 ALA HA 3.000 . 3.500 2.146 1.957 3.573 0.073 18 0 "[ . 1 . 2]" 1
51 1 15 ILE MD 1 22 ALA MB 3.000 . 3.500 2.568 2.231 2.906 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE MD 1 23 PHE H 4.000 . 5.000 3.283 2.727 4.935 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE HG13 1 15 ILE MG 3.000 . 3.500 2.437 2.371 3.269 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE MG 1 16 CYS H 3.000 . 3.500 2.510 1.948 3.454 . 0 0 "[ . 1 . 2]" 1
55 1 15 ILE MG 1 20 ALA H 3.000 . 3.500 3.473 2.972 3.757 0.257 7 0 "[ . 1 . 2]" 1
56 1 15 ILE MG 1 20 ALA MB 2.000 . 2.700 2.473 1.806 2.846 0.146 1 0 "[ . 1 . 2]" 1
57 1 15 ILE MG 1 21 ARG H 4.000 . 5.000 4.866 4.018 5.255 0.255 16 0 "[ . 1 . 2]" 1
58 1 16 CYS H 1 16 CYS HB2 3.000 . 3.500 2.643 2.314 3.059 . 0 0 "[ . 1 . 2]" 1
59 1 16 CYS H 1 16 CYS HB3 3.000 . 3.500 2.586 2.308 2.844 . 0 0 "[ . 1 . 2]" 1
60 1 16 CYS H 1 17 GLU H 4.000 . 5.000 2.965 2.046 4.495 . 0 0 "[ . 1 . 2]" 1
61 1 16 CYS H 1 23 PHE QD 4.000 . 5.000 4.048 2.641 5.014 0.014 16 0 "[ . 1 . 2]" 1
62 1 16 CYS H 1 23 PHE QE 4.000 . 5.000 4.287 3.317 5.035 0.035 17 0 "[ . 1 . 2]" 1
63 1 16 CYS HA 1 17 GLU QB 4.000 . 5.000 4.137 3.701 4.551 . 0 0 "[ . 1 . 2]" 1
64 1 16 CYS HA 1 29 LEU QD 3.000 . 3.500 2.495 1.825 3.183 . 0 0 "[ . 1 . 2]" 1
65 1 16 CYS HB2 1 17 GLU H 4.000 . 5.000 4.202 3.422 4.589 . 0 0 "[ . 1 . 2]" 1
66 1 16 CYS HB2 1 18 TYR H 4.000 . 5.000 4.828 4.277 5.230 0.230 11 0 "[ . 1 . 2]" 1
67 1 16 CYS HB2 1 32 HIS HD2 4.000 . 5.000 2.942 2.426 3.388 . 0 0 "[ . 1 . 2]" 1
68 1 16 CYS HB3 1 17 GLU H 4.000 . 5.000 3.500 2.362 4.361 . 0 0 "[ . 1 . 2]" 1
69 1 16 CYS HB3 1 18 TYR H 3.000 . 3.500 3.330 2.723 3.801 0.301 11 0 "[ . 1 . 2]" 1
70 1 16 CYS HB3 1 19 CYS H 3.000 . 3.500 3.054 2.275 3.530 0.030 2 0 "[ . 1 . 2]" 1
71 1 16 CYS HB3 1 20 ALA HA 4.000 . 5.000 4.125 3.586 4.454 . 0 0 "[ . 1 . 2]" 1
72 1 16 CYS HB3 1 20 ALA MB 4.000 . 5.000 2.285 2.034 2.546 . 0 0 "[ . 1 . 2]" 1
73 1 16 CYS HB3 1 29 LEU QD 4.000 . 5.000 3.586 3.224 4.251 . 0 0 "[ . 1 . 2]" 1
74 1 16 CYS HB3 1 32 HIS HD2 4.000 . 5.000 3.976 3.219 4.564 . 0 0 "[ . 1 . 2]" 1
75 1 17 GLU H 1 18 TYR H 3.000 . 3.500 2.895 2.239 3.718 0.218 20 0 "[ . 1 . 2]" 1
76 1 17 GLU H 1 19 CYS H 4.000 . 5.000 4.350 3.557 5.064 0.064 13 0 "[ . 1 . 2]" 1
77 1 17 GLU H 1 20 ALA H 4.000 . 5.000 4.527 3.719 5.293 0.293 13 0 "[ . 1 . 2]" 1
78 1 17 GLU HA 1 17 GLU QG 2.000 . 2.700 2.512 2.377 2.787 0.087 7 0 "[ . 1 . 2]" 1
79 1 18 TYR H 1 18 TYR HB2 3.000 . 3.500 3.085 2.490 3.316 . 0 0 "[ . 1 . 2]" 1
80 1 18 TYR H 1 18 TYR QB 3.000 . 3.500 2.679 2.452 2.812 . 0 0 "[ . 1 . 2]" 1
81 1 18 TYR H 1 18 TYR HB3 3.000 . 3.500 3.015 2.826 3.749 0.249 1 0 "[ . 1 . 2]" 1
82 1 18 TYR H 1 18 TYR QD 4.000 . 5.000 4.371 3.571 4.510 . 0 0 "[ . 1 . 2]" 1
83 1 18 TYR H 1 19 CYS H 3.000 . 3.500 1.905 1.726 2.149 0.074 13 0 "[ . 1 . 2]" 1
84 1 18 TYR H 1 20 ALA H 3.000 . 3.500 3.655 3.255 3.963 0.463 9 0 "[ . 1 . 2]" 1
85 1 18 TYR HA 1 18 TYR QD 2.000 . 2.700 2.054 1.885 2.416 . 0 0 "[ . 1 . 2]" 1
86 1 18 TYR QB 1 19 CYS H 3.000 . 3.500 2.448 2.267 2.682 . 0 0 "[ . 1 . 2]" 1
87 1 18 TYR HB2 1 19 CYS H 3.000 . 3.500 3.557 2.670 3.755 0.255 11 0 "[ . 1 . 2]" 1
88 1 18 TYR HB3 1 19 CYS H 3.000 . 3.500 2.577 2.290 3.634 0.134 18 0 "[ . 1 . 2]" 1
89 1 19 CYS H 1 19 CYS HB3 4.000 . 5.000 3.342 3.073 3.613 . 0 0 "[ . 1 . 2]" 1
90 1 19 CYS H 1 20 ALA MB 4.000 . 5.000 4.239 3.943 4.630 . 0 0 "[ . 1 . 2]" 1
91 1 19 CYS HA 1 19 CYS HB2 3.000 . 3.500 2.662 2.511 3.002 . 0 0 "[ . 1 . 2]" 1
92 1 19 CYS HA 1 19 CYS HB3 3.000 . 3.500 2.335 2.258 2.383 . 0 0 "[ . 1 . 2]" 1
93 1 19 CYS HA 1 20 ALA H 3.000 . 3.500 2.741 2.367 3.570 0.070 20 0 "[ . 1 . 2]" 1
94 1 19 CYS HA 1 20 ALA MB 4.000 . 5.000 4.562 4.411 5.029 0.029 20 0 "[ . 1 . 2]" 1
95 1 19 CYS HB2 1 20 ALA HA 4.000 . 5.000 4.568 3.327 4.873 . 0 0 "[ . 1 . 2]" 1
96 1 20 ALA H 1 20 ALA HA 2.000 . 2.700 2.882 2.823 2.944 0.244 9 0 "[ . 1 . 2]" 1
97 1 20 ALA H 1 20 ALA MB 3.000 . 3.500 2.723 2.240 2.905 . 0 0 "[ . 1 . 2]" 1
98 1 20 ALA MB 1 21 ARG H 3.000 . 3.500 3.037 1.844 3.432 . 0 0 "[ . 1 . 2]" 1
99 1 20 ALA MB 1 29 LEU QD 4.000 . 5.000 3.149 2.508 3.684 . 0 0 "[ . 1 . 2]" 1
100 1 21 ARG H 1 21 ARG QB 3.000 . 3.500 2.697 2.495 3.091 . 0 0 "[ . 1 . 2]" 1
101 1 21 ARG H 1 21 ARG QD 4.000 . 5.000 3.772 1.815 4.410 . 0 0 "[ . 1 . 2]" 1
102 1 21 ARG H 1 21 ARG QG 2.000 . 2.700 2.172 1.790 3.195 0.495 11 0 "[ . 1 . 2]" 1
103 1 21 ARG H 1 23 PHE QE 4.000 . 5.000 4.305 2.589 5.128 0.128 7 0 "[ . 1 . 2]" 1
104 1 21 ARG HA 1 21 ARG QB 2.000 . 2.700 2.198 2.172 2.331 . 0 0 "[ . 1 . 2]" 1
105 1 21 ARG HA 1 21 ARG QD 4.000 . 5.000 4.435 3.455 4.710 . 0 0 "[ . 1 . 2]" 1
106 1 21 ARG HA 1 21 ARG QG 3.000 . 3.500 3.389 2.725 3.581 0.081 11 0 "[ . 1 . 2]" 1
107 1 21 ARG QD 1 22 ALA H 4.000 . 5.000 3.666 2.008 4.290 . 0 0 "[ . 1 . 2]" 1
108 1 21 ARG HD2 1 22 ALA H 4.000 . 5.000 4.290 2.036 5.231 0.231 5 0 "[ . 1 . 2]" 1
109 1 21 ARG HD3 1 22 ALA H 4.000 . 5.000 4.127 3.059 4.985 . 0 0 "[ . 1 . 2]" 1
110 1 21 ARG HG2 1 22 ALA H 4.000 . 5.000 2.983 1.873 4.568 . 0 0 "[ . 1 . 2]" 1
111 1 21 ARG HG3 1 22 ALA H 4.000 . 5.000 2.195 1.637 3.974 0.163 8 0 "[ . 1 . 2]" 1
112 1 22 ALA H 1 22 ALA MB 2.000 . 2.700 2.747 2.265 2.919 0.219 12 0 "[ . 1 . 2]" 1
113 1 22 ALA H 1 23 PHE H 4.000 . 5.000 4.154 3.914 4.496 . 0 0 "[ . 1 . 2]" 1
114 1 22 ALA HA 1 23 PHE H 3.000 . 3.500 2.212 2.148 2.365 . 0 0 "[ . 1 . 2]" 1
115 1 22 ALA HA 1 23 PHE QD 4.000 . 5.000 3.975 3.501 4.459 . 0 0 "[ . 1 . 2]" 1
116 1 22 ALA MB 1 23 PHE H 3.000 . 3.500 3.000 2.543 3.224 . 0 0 "[ . 1 . 2]" 1
117 1 23 PHE H 1 23 PHE HB2 3.000 . 3.500 2.541 2.437 2.693 . 0 0 "[ . 1 . 2]" 1
118 1 23 PHE H 1 23 PHE QD 3.000 . 3.500 2.988 2.668 3.374 . 0 0 "[ . 1 . 2]" 1
119 1 23 PHE H 1 25 SER H 4.000 . 5.000 4.986 4.663 5.113 0.113 13 0 "[ . 1 . 2]" 1
120 1 23 PHE HA 1 23 PHE QD 3.000 . 3.500 2.898 2.522 3.125 . 0 0 "[ . 1 . 2]" 1
121 1 23 PHE HB2 1 25 SER H 3.000 . 3.500 3.468 2.978 3.568 0.068 6 0 "[ . 1 . 2]" 1
122 1 23 PHE HB2 1 28 ASN QB 4.000 . 5.000 3.629 3.219 4.243 . 0 0 "[ . 1 . 2]" 1
123 1 23 PHE HB2 1 29 LEU HB2 4.000 . 5.000 2.945 2.084 3.741 . 0 0 "[ . 1 . 2]" 1
124 1 23 PHE HB2 1 29 LEU HB3 4.000 . 5.000 2.921 2.194 3.686 . 0 0 "[ . 1 . 2]" 1
125 1 23 PHE HB2 1 29 LEU MD1 4.000 . 6.000 4.602 3.892 5.222 . 0 0 "[ . 1 . 2]" 1
126 1 23 PHE HB2 1 29 LEU QD 4.000 . 5.000 3.517 3.166 3.862 . 0 0 "[ . 1 . 2]" 1
127 1 23 PHE HB2 1 29 LEU MD2 4.000 . 6.000 3.692 3.204 4.140 . 0 0 "[ . 1 . 2]" 1
128 1 23 PHE HB3 1 25 SER H 3.000 . 3.500 2.546 2.278 2.920 . 0 0 "[ . 1 . 2]" 1
129 1 23 PHE HB3 1 29 LEU HB2 4.000 . 5.000 3.897 3.122 4.554 . 0 0 "[ . 1 . 2]" 1
130 1 23 PHE QD 1 28 ASN HA 4.000 . 5.000 4.764 4.388 5.073 0.073 19 0 "[ . 1 . 2]" 1
131 1 23 PHE QD 1 29 LEU HB3 4.000 . 5.000 3.560 3.033 4.046 . 0 0 "[ . 1 . 2]" 1
132 1 23 PHE QD 1 29 LEU QD 4.000 . 5.000 3.177 2.580 3.736 . 0 0 "[ . 1 . 2]" 1
133 1 23 PHE QE 1 29 LEU HB2 3.000 . 3.500 3.597 3.339 3.834 0.334 12 0 "[ . 1 . 2]" 1
134 1 24 LYS H 1 25 SER H 4.000 . 5.000 2.674 2.485 2.843 . 0 0 "[ . 1 . 2]" 1
135 1 24 LYS HA 1 24 LYS QG 3.000 . 3.500 2.979 2.466 3.410 . 0 0 "[ . 1 . 2]" 1
136 1 24 LYS HA 1 25 SER H 3.000 . 3.500 3.431 3.137 3.554 0.054 17 0 "[ . 1 . 2]" 1
137 1 24 LYS QE 1 24 LYS QG 3.000 . 3.500 2.442 2.180 2.905 . 0 0 "[ . 1 . 2]" 1
138 1 24 LYS QG 1 25 SER H 4.000 . 5.000 3.577 2.490 4.416 . 0 0 "[ . 1 . 2]" 1
139 1 25 SER H 1 25 SER HB2 4.000 . 5.000 3.169 2.777 3.942 . 0 0 "[ . 1 . 2]" 1
140 1 25 SER H 1 25 SER QB 3.000 . 3.500 2.797 2.590 3.193 . 0 0 "[ . 1 . 2]" 1
141 1 25 SER H 1 25 SER HB3 4.000 . 5.000 3.431 2.690 3.956 . 0 0 "[ . 1 . 2]" 1
142 1 25 SER H 1 26 SER H 4.000 . 5.000 4.290 4.152 4.404 . 0 0 "[ . 1 . 2]" 1
143 1 25 SER H 1 28 ASN QB 3.000 . 3.500 2.534 1.994 3.253 . 0 0 "[ . 1 . 2]" 1
144 1 25 SER QB 1 26 SER H 4.000 . 5.000 3.138 2.313 3.708 . 0 0 "[ . 1 . 2]" 1
145 1 25 SER QB 1 28 ASN QB 3.000 . 3.500 2.336 1.847 3.423 . 0 0 "[ . 1 . 2]" 1
146 1 25 SER HB2 1 28 ASN QB 4.000 . 5.000 3.044 1.934 4.690 . 0 0 "[ . 1 . 2]" 1
147 1 25 SER HB3 1 28 ASN QB 4.000 . 5.000 3.102 1.857 3.973 . 0 0 "[ . 1 . 2]" 1
148 1 27 HIS HA 1 30 ALA H 4.000 . 5.000 3.203 2.801 3.585 . 0 0 "[ . 1 . 2]" 1
149 1 27 HIS HA 1 30 ALA MB 3.000 . 3.500 2.243 1.937 2.672 . 0 0 "[ . 1 . 2]" 1
150 1 28 ASN H 1 28 ASN QB 2.000 . 2.700 2.246 2.175 2.457 . 0 0 "[ . 1 . 2]" 1
151 1 28 ASN H 1 29 LEU H 3.000 . 3.500 2.769 2.566 3.020 . 0 0 "[ . 1 . 2]" 1
152 1 28 ASN QB 1 29 LEU H 3.000 . 3.500 2.259 2.044 2.433 . 0 0 "[ . 1 . 2]" 1
153 1 28 ASN QB 1 29 LEU HB3 3.000 . 3.500 3.802 3.662 3.956 0.456 7 0 "[ . 1 . 2]" 1
154 1 29 LEU H 1 29 LEU HB2 3.000 . 3.500 3.197 2.811 3.535 0.035 2 0 "[ . 1 . 2]" 1
155 1 29 LEU H 1 29 LEU HB3 3.000 . 3.500 2.098 2.008 2.212 . 0 0 "[ . 1 . 2]" 1
156 1 29 LEU H 1 29 LEU QD 4.000 . 5.000 3.538 3.228 3.761 . 0 0 "[ . 1 . 2]" 1
157 1 29 LEU H 1 30 ALA H 3.000 . 3.500 2.714 2.501 2.879 . 0 0 "[ . 1 . 2]" 1
158 1 29 LEU HA 1 29 LEU QD 3.000 . 3.500 2.993 2.551 3.400 . 0 0 "[ . 1 . 2]" 1
159 1 29 LEU HA 1 32 HIS H 3.000 . 3.500 3.430 3.189 3.619 0.119 19 0 "[ . 1 . 2]" 1
160 1 29 LEU HA 1 32 HIS HD2 4.000 . 5.000 4.140 3.308 5.108 0.108 19 0 "[ . 1 . 2]" 1
161 1 29 LEU HA 1 33 ARG H 4.000 . 5.000 4.254 4.062 4.425 . 0 0 "[ . 1 . 2]" 1
162 1 29 LEU HB2 1 29 LEU QD 3.000 . 3.500 2.187 2.135 2.224 . 0 0 "[ . 1 . 2]" 1
163 1 29 LEU HB2 1 32 HIS HD2 4.000 . 5.000 4.584 3.674 5.248 0.248 19 0 "[ . 1 . 2]" 1
164 1 29 LEU HB3 1 29 LEU QD 3.000 . 3.500 2.226 2.186 2.271 . 0 0 "[ . 1 . 2]" 1
165 1 29 LEU HB3 1 30 ALA H 3.000 . 3.500 3.348 2.808 3.744 0.244 17 0 "[ . 1 . 2]" 1
166 1 29 LEU QD 1 30 ALA H 3.000 . 3.500 3.443 2.973 3.793 0.293 9 0 "[ . 1 . 2]" 1
167 1 29 LEU QD 1 30 ALA HA 4.000 . 5.000 3.402 2.690 4.006 . 0 0 "[ . 1 . 2]" 1
168 1 29 LEU QD 1 32 HIS HD2 3.000 . 3.500 2.767 2.115 3.568 0.068 20 0 "[ . 1 . 2]" 1
169 1 29 LEU QD 1 33 ARG H 4.000 . 5.000 3.565 3.092 3.901 . 0 0 "[ . 1 . 2]" 1
170 1 29 LEU QD 1 33 ARG QD 3.000 . 3.500 2.535 1.824 3.753 0.253 8 0 "[ . 1 . 2]" 1
171 1 29 LEU QD 1 33 ARG QG 3.000 . 3.500 3.376 3.060 3.638 0.138 14 0 "[ . 1 . 2]" 1
172 1 29 LEU MD1 1 30 ALA HA 4.000 . 5.000 3.521 2.701 4.241 . 0 0 "[ . 1 . 2]" 1
173 1 29 LEU MD2 1 30 ALA HA 4.000 . 5.000 4.867 4.636 5.081 0.081 17 0 "[ . 1 . 2]" 1
174 1 29 LEU HG 1 33 ARG QD 4.000 . 5.000 3.583 2.380 4.647 . 0 0 "[ . 1 . 2]" 1
175 1 30 ALA H 1 30 ALA HA 3.000 . 3.500 2.810 2.759 2.858 . 0 0 "[ . 1 . 2]" 1
176 1 30 ALA H 1 30 ALA MB 2.000 . 2.700 2.279 2.244 2.310 . 0 0 "[ . 1 . 2]" 1
177 1 30 ALA H 1 31 VAL H 3.000 . 3.500 2.751 2.649 2.957 . 0 0 "[ . 1 . 2]" 1
178 1 30 ALA HA 1 32 HIS H 4.000 . 6.000 4.462 4.127 4.645 . 0 0 "[ . 1 . 2]" 1
179 1 30 ALA HA 1 33 ARG H 4.000 . 5.000 3.142 2.740 3.342 . 0 0 "[ . 1 . 2]" 1
180 1 30 ALA HA 1 33 ARG QB 3.000 . 3.500 1.955 1.661 2.617 0.139 19 0 "[ . 1 . 2]" 1
181 1 30 ALA HA 1 33 ARG QD 4.000 . 5.000 3.019 2.504 3.737 . 0 0 "[ . 1 . 2]" 1
182 1 30 ALA MB 1 31 VAL H 3.000 . 3.500 2.800 2.474 2.916 . 0 0 "[ . 1 . 2]" 1
183 1 31 VAL H 1 31 VAL HB 3.000 . 3.500 2.623 2.378 3.698 0.198 19 0 "[ . 1 . 2]" 1
184 1 31 VAL H 1 31 VAL QG 2.000 . 2.700 2.094 1.914 2.283 . 0 0 "[ . 1 . 2]" 1
185 1 31 VAL H 1 32 HIS H 3.000 . 3.500 2.775 2.633 3.035 . 0 0 "[ . 1 . 2]" 1
186 1 31 VAL HA 1 31 VAL QG 2.000 . 2.700 2.198 2.174 2.337 . 0 0 "[ . 1 . 2]" 1
187 1 31 VAL HA 1 32 HIS H 3.000 . 3.500 3.576 3.516 3.613 0.113 17 0 "[ . 1 . 2]" 1
188 1 31 VAL HA 1 41 PRO QB 4.000 . 5.000 3.600 2.503 4.650 . 0 0 "[ . 1 . 2]" 1
189 1 31 VAL HB 1 32 HIS H 3.000 . 3.500 2.606 2.411 3.628 0.128 19 0 "[ . 1 . 2]" 1
190 1 31 VAL QG 1 32 HIS H 3.000 . 3.500 3.111 1.993 3.318 . 0 0 "[ . 1 . 2]" 1
191 1 31 VAL QG 1 32 HIS HA 4.000 . 5.000 3.622 3.253 3.806 . 0 0 "[ . 1 . 2]" 1
192 1 32 HIS H 1 32 HIS HA 3.000 . 3.500 2.854 2.814 2.928 . 0 0 "[ . 1 . 2]" 1
193 1 32 HIS H 1 32 HIS QB 2.000 . 2.700 2.175 2.096 2.355 . 0 0 "[ . 1 . 2]" 1
194 1 32 HIS H 1 32 HIS HD2 3.000 . 3.500 4.423 3.899 4.799 1.299 14 16 "[* ***-**** **+** **2]" 1
195 1 32 HIS H 1 33 ARG H 3.000 . 3.500 2.512 2.349 2.639 . 0 0 "[ . 1 . 2]" 1
196 1 32 HIS HA 1 34 MET H 3.000 . 3.500 3.688 3.587 3.898 0.398 19 0 "[ . 1 . 2]" 1
197 1 32 HIS HA 1 34 MET QG 4.000 . 5.000 3.310 2.969 4.261 . 0 0 "[ . 1 . 2]" 1
198 1 32 HIS QB 1 32 HIS HD2 3.000 . 3.500 2.700 2.649 2.765 . 0 0 "[ . 1 . 2]" 1
199 1 32 HIS QB 1 33 ARG H 3.000 . 3.500 2.888 2.690 3.124 . 0 0 "[ . 1 . 2]" 1
200 1 32 HIS HD2 1 33 ARG H 4.000 . 5.000 3.302 2.767 3.750 . 0 0 "[ . 1 . 2]" 1
201 1 32 HIS HD2 1 33 ARG HA 4.000 . 5.000 3.351 3.138 3.615 . 0 0 "[ . 1 . 2]" 1
202 1 32 HIS HD2 1 33 ARG QB 3.000 . 3.500 3.191 2.609 3.606 0.106 14 0 "[ . 1 . 2]" 1
203 1 32 HIS HD2 1 33 ARG QG 4.000 . 5.000 4.196 3.602 4.540 . 0 0 "[ . 1 . 2]" 1
204 1 33 ARG H 1 33 ARG QB 2.000 . 2.700 2.180 2.148 2.256 . 0 0 "[ . 1 . 2]" 1
205 1 33 ARG H 1 34 MET H 3.000 . 3.500 2.824 2.647 3.475 . 0 0 "[ . 1 . 2]" 1
206 1 33 ARG H 1 36 HIS HD2 4.000 . 5.000 4.884 4.337 5.206 0.206 11 0 "[ . 1 . 2]" 1
207 1 33 ARG HA 1 33 ARG QG 3.000 . 3.500 2.469 2.329 2.579 . 0 0 "[ . 1 . 2]" 1
208 1 33 ARG HA 1 34 MET H 3.000 . 3.500 3.263 2.732 3.378 . 0 0 "[ . 1 . 2]" 1
209 1 33 ARG HA 1 35 ILE MG 4.000 . 5.000 3.040 2.684 4.646 . 0 0 "[ . 1 . 2]" 1
210 1 33 ARG HA 1 36 HIS H 4.000 . 5.000 3.242 2.954 3.848 . 0 0 "[ . 1 . 2]" 1
211 1 33 ARG HA 1 36 HIS HD2 3.000 . 3.500 2.303 1.649 2.765 0.151 19 0 "[ . 1 . 2]" 1
212 1 33 ARG QB 1 33 ARG QD 3.000 . 3.500 2.202 2.135 2.394 . 0 0 "[ . 1 . 2]" 1
213 1 33 ARG QD 1 33 ARG QG 2.000 . 2.700 2.096 2.012 2.120 . 0 0 "[ . 1 . 2]" 1
214 1 33 ARG QD 1 37 THR HA 4.000 . 5.000 3.026 2.234 5.104 0.104 9 0 "[ . 1 . 2]" 1
215 1 33 ARG QG 1 36 HIS H 3.000 . 3.500 3.202 2.985 3.455 . 0 0 "[ . 1 . 2]" 1
216 1 33 ARG QG 1 37 THR H 3.000 . 3.500 3.051 2.500 3.501 0.001 11 0 "[ . 1 . 2]" 1
217 1 34 MET H 1 34 MET HB2 3.000 . 3.500 3.596 3.559 3.625 0.125 2 0 "[ . 1 . 2]" 1
218 1 34 MET H 1 34 MET QB 2.000 . 2.700 2.395 2.269 2.587 . 0 0 "[ . 1 . 2]" 1
219 1 34 MET H 1 34 MET HB3 3.000 . 3.500 2.433 2.295 2.652 . 0 0 "[ . 1 . 2]" 1
220 1 34 MET H 1 34 MET QG 2.000 . 2.700 2.377 2.019 2.639 . 0 0 "[ . 1 . 2]" 1
221 1 34 MET H 1 35 ILE H 3.000 . 3.500 3.021 2.862 3.160 . 0 0 "[ . 1 . 2]" 1
222 1 34 MET H 1 35 ILE MG 4.000 . 5.000 3.769 3.663 4.018 . 0 0 "[ . 1 . 2]" 1
223 1 34 MET HA 1 34 MET QG 3.000 . 3.500 3.393 3.374 3.514 0.014 19 0 "[ . 1 . 2]" 1
224 1 34 MET QB 1 35 ILE H 4.000 . 5.000 3.654 3.267 3.768 . 0 0 "[ . 1 . 2]" 1
225 1 34 MET QG 1 35 ILE H 3.000 . 3.500 2.642 1.838 2.882 . 0 0 "[ . 1 . 2]" 1
226 1 34 MET QG 1 35 ILE HA 4.000 . 5.000 3.705 3.318 4.726 . 0 0 "[ . 1 . 2]" 1
227 1 35 ILE H 1 35 ILE HB 3.000 . 3.500 3.027 2.235 3.264 . 0 0 "[ . 1 . 2]" 1
228 1 35 ILE H 1 35 ILE HG12 4.000 . 5.000 4.660 4.461 4.726 . 0 0 "[ . 1 . 2]" 1
229 1 35 ILE H 1 35 ILE QG 3.000 . 3.500 3.903 3.805 4.005 0.505 9 1 "[ . +1 . 2]" 1
230 1 35 ILE H 1 35 ILE HG13 4.000 . 5.000 4.193 4.041 4.386 . 0 0 "[ . 1 . 2]" 1
231 1 35 ILE H 1 35 ILE MG 2.000 . 2.700 1.850 1.795 2.044 0.005 18 0 "[ . 1 . 2]" 1
232 1 35 ILE H 1 36 HIS H 3.000 . 3.500 2.487 2.267 3.392 . 0 0 "[ . 1 . 2]" 1
233 1 35 ILE H 1 37 THR H 4.000 . 5.000 3.863 3.536 5.125 0.125 12 0 "[ . 1 . 2]" 1
234 1 35 ILE HA 1 35 ILE HB 3.000 . 3.500 2.351 2.309 2.499 . 0 0 "[ . 1 . 2]" 1
235 1 35 ILE HA 1 35 ILE MD 2.000 . 2.700 2.412 2.108 2.610 . 0 0 "[ . 1 . 2]" 1
236 1 35 ILE HA 1 35 ILE MG 3.000 . 3.500 3.229 3.196 3.270 . 0 0 "[ . 1 . 2]" 1
237 1 35 ILE HB 1 35 ILE MD 2.000 . 2.700 2.437 2.412 2.488 . 0 0 "[ . 1 . 2]" 1
238 1 35 ILE HB 1 36 HIS H 4.000 . 5.000 4.188 4.039 4.671 . 0 0 "[ . 1 . 2]" 1
239 1 35 ILE MG 1 36 HIS H 3.000 . 3.500 2.257 1.945 3.166 . 0 0 "[ . 1 . 2]" 1
240 1 35 ILE MG 1 37 THR H 4.000 . 5.000 4.364 4.164 4.749 . 0 0 "[ . 1 . 2]" 1
241 1 36 HIS H 1 36 HIS HB2 3.000 . 3.500 3.234 2.654 3.551 0.051 17 0 "[ . 1 . 2]" 1
242 1 36 HIS H 1 36 HIS HB3 4.000 . 5.000 3.663 3.423 3.820 . 0 0 "[ . 1 . 2]" 1
243 1 36 HIS H 1 36 HIS HD2 3.000 . 3.500 3.068 2.718 3.586 0.086 9 0 "[ . 1 . 2]" 1
244 1 36 HIS H 1 37 THR H 3.000 . 3.500 2.515 2.032 2.804 . 0 0 "[ . 1 . 2]" 1
245 1 36 HIS H 1 37 THR MG 4.000 . 5.000 3.873 3.039 4.425 . 0 0 "[ . 1 . 2]" 1
246 1 36 HIS HA 1 36 HIS HB3 3.000 . 3.500 2.302 2.251 2.430 . 0 0 "[ . 1 . 2]" 1
247 1 36 HIS HA 1 37 THR H 3.000 . 3.500 3.238 3.033 3.644 0.144 9 0 "[ . 1 . 2]" 1
248 1 36 HIS HB2 1 37 THR H 4.000 . 5.000 3.867 2.594 4.379 . 0 0 "[ . 1 . 2]" 1
249 1 37 THR H 1 37 THR HB 3.000 . 3.500 2.690 2.488 2.823 . 0 0 "[ . 1 . 2]" 1
250 1 37 THR H 1 37 THR MG 3.000 . 3.500 1.989 1.851 2.448 . 0 0 "[ . 1 . 2]" 1
251 1 37 THR H 1 38 GLY H 4.000 . 5.000 2.911 2.587 3.277 . 0 0 "[ . 1 . 2]" 1
252 1 37 THR HA 1 37 THR MG 3.000 . 3.500 3.256 3.241 3.275 . 0 0 "[ . 1 . 2]" 1
253 1 37 THR MG 1 38 GLY H 4.000 . 5.000 2.147 1.730 3.683 0.070 2 0 "[ . 1 . 2]" 1
254 1 38 GLY H 1 39 GLU H 4.000 . 5.000 2.921 2.293 3.325 . 0 0 "[ . 1 . 2]" 1
255 1 38 GLY QA 1 39 GLU H 3.000 . 3.500 2.752 2.566 2.852 . 0 0 "[ . 1 . 2]" 1
256 1 39 GLU H 1 39 GLU QB 3.000 . 3.500 2.685 2.386 3.376 . 0 0 "[ . 1 . 2]" 1
257 1 39 GLU H 1 39 GLU QG 4.000 . 5.000 2.725 1.796 3.664 0.004 3 0 "[ . 1 . 2]" 1
258 1 39 GLU H 1 40 LYS H 3.000 . 3.500 2.658 1.670 3.751 0.251 9 0 "[ . 1 . 2]" 1
259 1 39 GLU HA 1 39 GLU QG 3.000 . 3.500 2.688 2.455 3.400 . 0 0 "[ . 1 . 2]" 1
260 1 39 GLU HA 1 40 LYS H 3.000 . 3.500 3.210 2.177 3.556 0.056 18 0 "[ . 1 . 2]" 1
261 1 40 LYS H 1 40 LYS QG 3.000 . 3.500 2.881 2.042 3.683 0.183 16 0 "[ . 1 . 2]" 1
262 1 40 LYS HA 1 40 LYS QG 3.000 . 3.500 2.776 2.408 3.434 . 0 0 "[ . 1 . 2]" 1
263 1 40 LYS HA 1 41 PRO HD2 3.000 . 3.500 2.232 1.977 2.811 . 0 0 "[ . 1 . 2]" 1
264 1 40 LYS HA 1 41 PRO QD 2.000 . 2.700 2.042 1.937 2.178 . 0 0 "[ . 1 . 2]" 1
265 1 40 LYS HA 1 41 PRO HD3 3.000 . 3.500 2.637 2.090 3.088 . 0 0 "[ . 1 . 2]" 1
266 1 40 LYS QD 1 40 LYS QE 2.000 . 2.700 2.072 2.009 2.121 . 0 0 "[ . 1 . 2]" 1
267 1 40 LYS QE 1 40 LYS QG 3.000 . 3.500 2.412 2.174 2.876 . 0 0 "[ . 1 . 2]" 1
268 1 40 LYS QG 1 41 PRO QD 4.000 . 5.000 4.045 3.596 4.511 . 0 0 "[ . 1 . 2]" 1
269 1 41 PRO QB 1 42 LEU H 3.000 . 3.500 2.263 1.744 2.928 0.056 1 0 "[ . 1 . 2]" 1
270 1 41 PRO QB 1 50 THR MG 4.000 . 5.000 2.678 1.884 4.031 . 0 0 "[ . 1 . 2]" 1
271 1 41 PRO QD 1 42 LEU H 4.000 . 5.000 4.461 3.106 5.047 0.047 12 0 "[ . 1 . 2]" 1
272 1 41 PRO QG 1 42 LEU H 4.000 . 5.000 3.509 1.901 4.498 . 0 0 "[ . 1 . 2]" 1
273 1 41 PRO QG 1 50 THR MG 2.000 . 2.700 2.509 1.918 2.782 0.082 10 0 "[ . 1 . 2]" 1
274 1 42 LEU H 1 42 LEU HB2 4.000 . 5.000 2.574 2.374 2.827 . 0 0 "[ . 1 . 2]" 1
275 1 42 LEU H 1 42 LEU HB3 4.000 . 5.000 3.722 3.600 3.882 . 0 0 "[ . 1 . 2]" 1
276 1 42 LEU H 1 42 LEU HG 3.000 . 3.500 2.995 2.495 3.590 0.090 5 0 "[ . 1 . 2]" 1
277 1 42 LEU H 1 43 GLN HA 4.000 . 5.000 4.900 4.472 5.197 0.197 17 0 "[ . 1 . 2]" 1
278 1 42 LEU HA 1 42 LEU QD 3.000 . 3.500 2.201 2.033 3.113 . 0 0 "[ . 1 . 2]" 1
279 1 42 LEU HA 1 42 LEU HG 3.000 . 3.500 3.071 2.603 3.295 . 0 0 "[ . 1 . 2]" 1
280 1 42 LEU HA 1 43 GLN H 2.000 . 2.700 2.215 2.152 2.329 . 0 0 "[ . 1 . 2]" 1
281 1 42 LEU HA 1 43 GLN HA 4.000 . 5.000 4.466 4.407 4.496 . 0 0 "[ . 1 . 2]" 1
282 1 42 LEU HB2 1 42 LEU QD 2.000 . 2.700 2.303 2.194 2.394 . 0 0 "[ . 1 . 2]" 1
283 1 42 LEU HB2 1 50 THR HA 4.000 . 5.000 4.994 4.720 5.239 0.239 18 0 "[ . 1 . 2]" 1
284 1 42 LEU HB2 1 51 CYS H 3.000 . 3.500 3.522 3.330 3.780 0.280 13 0 "[ . 1 . 2]" 1
285 1 42 LEU HB3 1 42 LEU QD 3.000 . 3.500 2.189 2.165 2.241 . 0 0 "[ . 1 . 2]" 1
286 1 42 LEU HB3 1 43 GLN H 4.000 . 5.000 3.608 2.982 4.056 . 0 0 "[ . 1 . 2]" 1
287 1 42 LEU HB3 1 51 CYS H 4.000 . 5.000 4.553 3.794 5.007 0.007 13 0 "[ . 1 . 2]" 1
288 1 42 LEU HB3 1 57 LEU QD 3.000 . 3.500 2.011 1.783 2.239 0.017 6 0 "[ . 1 . 2]" 1
289 1 42 LEU QD 1 53 GLN H 4.000 . 5.000 3.859 2.396 4.987 . 0 0 "[ . 1 . 2]" 1
290 1 42 LEU QD 1 53 GLN HA 4.000 . 5.000 3.404 2.463 4.257 . 0 0 "[ . 1 . 2]" 1
291 1 42 LEU QD 1 54 LYS HA 3.000 . 3.500 2.367 2.061 2.844 . 0 0 "[ . 1 . 2]" 1
292 1 42 LEU QD 1 54 LYS QB 3.000 . 3.500 2.217 1.759 3.464 0.041 9 0 "[ . 1 . 2]" 1
293 1 43 GLN H 1 43 GLN QB 3.000 . 3.500 2.536 2.389 2.647 . 0 0 "[ . 1 . 2]" 1
294 1 43 GLN H 1 44 CYS H 4.000 . 5.000 4.354 4.141 4.455 . 0 0 "[ . 1 . 2]" 1
295 1 43 GLN HA 1 43 GLN QG 3.000 . 3.500 2.501 2.308 2.592 . 0 0 "[ . 1 . 2]" 1
296 1 43 GLN HA 1 44 CYS H 3.000 . 3.500 2.184 2.087 2.263 . 0 0 "[ . 1 . 2]" 1
297 1 43 GLN HA 1 44 CYS HA 4.000 . 5.000 4.419 4.363 4.465 . 0 0 "[ . 1 . 2]" 1
298 1 43 GLN HA 1 44 CYS HB2 4.000 . 5.000 4.760 4.521 4.908 . 0 0 "[ . 1 . 2]" 1
299 1 43 GLN HA 1 44 CYS HB3 4.000 . 5.000 4.483 4.389 4.710 . 0 0 "[ . 1 . 2]" 1
300 1 43 GLN HA 1 49 PHE QD 4.000 . 5.000 4.580 4.114 5.227 0.227 12 0 "[ . 1 . 2]" 1
301 1 43 GLN HA 1 50 THR MG 3.000 . 3.500 2.941 2.427 3.297 . 0 0 "[ . 1 . 2]" 1
302 1 43 GLN QB 1 44 CYS H 4.000 . 5.000 3.632 3.335 3.795 . 0 0 "[ . 1 . 2]" 1
303 1 43 GLN QB 1 50 THR HA 4.000 . 6.000 3.547 2.908 4.206 . 0 0 "[ . 1 . 2]" 1
304 1 43 GLN QE 1 48 GLY H 4.000 . 6.000 5.123 3.953 6.030 0.030 10 0 "[ . 1 . 2]" 1
305 1 43 GLN QG 1 44 CYS H 3.000 . 3.500 2.797 2.300 3.605 0.105 7 0 "[ . 1 . 2]" 1
306 1 43 GLN QG 1 48 GLY QA 4.000 . 5.000 3.066 2.139 4.338 . 0 0 "[ . 1 . 2]" 1
307 1 43 GLN QG 1 49 PHE H 3.000 . 3.500 2.406 1.744 3.577 0.077 2 0 "[ . 1 . 2]" 1
308 1 43 GLN QG 1 50 THR HA 4.000 . 5.000 3.313 2.889 3.736 . 0 0 "[ . 1 . 2]" 1
309 1 43 GLN QG 1 50 THR MG 3.000 . 3.500 3.093 2.134 3.572 0.072 6 0 "[ . 1 . 2]" 1
310 1 44 CYS H 1 44 CYS HB2 3.000 . 3.500 2.763 2.604 2.878 . 0 0 "[ . 1 . 2]" 1
311 1 44 CYS H 1 44 CYS HB3 3.000 . 3.500 2.338 2.260 2.469 . 0 0 "[ . 1 . 2]" 1
312 1 44 CYS H 1 45 GLU H 4.000 . 5.000 4.345 4.247 4.474 . 0 0 "[ . 1 . 2]" 1
313 1 44 CYS H 1 49 PHE H 3.000 . 3.500 2.982 2.410 3.619 0.119 18 0 "[ . 1 . 2]" 1
314 1 44 CYS H 1 49 PHE QD 4.000 . 5.000 3.827 3.257 4.435 . 0 0 "[ . 1 . 2]" 1
315 1 44 CYS H 1 50 THR H 4.000 . 5.000 4.923 4.797 5.018 0.018 8 0 "[ . 1 . 2]" 1
316 1 44 CYS H 1 57 LEU QD 3.000 . 3.500 3.112 2.740 3.381 . 0 0 "[ . 1 . 2]" 1
317 1 44 CYS HA 1 45 GLU H 3.000 . 3.500 2.166 2.125 2.232 . 0 0 "[ . 1 . 2]" 1
318 1 44 CYS HA 1 46 ILE H 4.000 . 5.000 3.809 3.319 4.171 . 0 0 "[ . 1 . 2]" 1
319 1 44 CYS HA 1 57 LEU HB2 3.000 . 3.500 3.435 3.150 3.674 0.174 18 0 "[ . 1 . 2]" 1
320 1 44 CYS HA 1 57 LEU QD 3.000 . 3.500 2.750 2.411 3.390 . 0 0 "[ . 1 . 2]" 1
321 1 44 CYS HB2 1 45 GLU H 4.000 . 5.000 4.345 4.191 4.452 . 0 0 "[ . 1 . 2]" 1
322 1 44 CYS HB2 1 49 PHE HB2 4.000 . 5.000 4.108 3.245 4.788 . 0 0 "[ . 1 . 2]" 1
323 1 44 CYS HB2 1 57 LEU QD 3.000 . 3.500 3.501 3.067 3.716 0.216 3 0 "[ . 1 . 2]" 1
324 1 44 CYS HB3 1 46 ILE H 4.000 . 5.000 4.046 3.887 4.363 . 0 0 "[ . 1 . 2]" 1
325 1 44 CYS HB3 1 49 PHE H 3.000 . 3.500 3.267 2.860 3.568 0.068 8 0 "[ . 1 . 2]" 1
326 1 44 CYS HB3 1 49 PHE HA 4.000 . 5.000 4.486 4.295 4.733 . 0 0 "[ . 1 . 2]" 1
327 1 44 CYS HB3 1 49 PHE HB2 4.000 . 5.000 3.375 3.024 3.758 . 0 0 "[ . 1 . 2]" 1
328 1 44 CYS HB3 1 49 PHE QD 4.000 . 5.000 3.974 3.401 4.865 . 0 0 "[ . 1 . 2]" 1
329 1 44 CYS HB3 1 57 LEU QD 4.000 . 5.000 4.355 4.060 4.533 . 0 0 "[ . 1 . 2]" 1
330 1 45 GLU H 1 46 ILE H 3.000 . 3.500 3.095 2.712 3.363 . 0 0 "[ . 1 . 2]" 1
331 1 45 GLU H 1 46 ILE QG 4.000 . 5.000 4.066 2.971 5.068 0.068 13 0 "[ . 1 . 2]" 1
332 1 45 GLU H 1 47 CYS H 4.000 . 5.000 4.978 4.673 5.127 0.127 9 0 "[ . 1 . 2]" 1
333 1 45 GLU H 1 57 LEU QD 4.000 . 5.000 3.998 3.354 4.695 . 0 0 "[ . 1 . 2]" 1
334 1 45 GLU HA 1 45 GLU QG 3.000 . 3.500 2.990 2.388 3.564 0.064 15 0 "[ . 1 . 2]" 1
335 1 45 GLU HA 1 46 ILE H 4.000 . 5.000 2.990 2.548 3.518 . 0 0 "[ . 1 . 2]" 1
336 1 46 ILE H 1 46 ILE HB 3.000 . 3.500 2.595 2.400 2.809 . 0 0 "[ . 1 . 2]" 1
337 1 46 ILE H 1 46 ILE MD 3.000 . 3.500 3.196 1.818 3.773 0.273 14 0 "[ . 1 . 2]" 1
338 1 46 ILE H 1 46 ILE QG 4.000 . 5.000 3.053 2.190 3.807 . 0 0 "[ . 1 . 2]" 1
339 1 46 ILE H 1 46 ILE MG 4.000 . 5.000 3.829 3.739 3.949 . 0 0 "[ . 1 . 2]" 1
340 1 46 ILE H 1 47 CYS H 3.000 . 3.500 2.141 1.844 2.684 . 0 0 "[ . 1 . 2]" 1
341 1 46 ILE H 1 48 GLY H 4.000 . 5.000 5.156 4.899 5.401 0.401 20 0 "[ . 1 . 2]" 1
342 1 46 ILE HA 1 46 ILE MD 3.000 . 3.500 2.509 2.001 3.449 . 0 0 "[ . 1 . 2]" 1
343 1 46 ILE HA 1 46 ILE HG12 4.000 . 5.000 3.389 3.100 3.792 . 0 0 "[ . 1 . 2]" 1
344 1 46 ILE HA 1 46 ILE QG 3.000 . 3.500 2.855 2.431 3.154 . 0 0 "[ . 1 . 2]" 1
345 1 46 ILE HA 1 46 ILE HG13 4.000 . 5.000 3.371 2.464 3.920 . 0 0 "[ . 1 . 2]" 1
346 1 46 ILE HA 1 46 ILE MG 3.000 . 3.500 2.492 2.385 2.610 . 0 0 "[ . 1 . 2]" 1
347 1 46 ILE HB 1 47 CYS H 3.000 . 3.500 2.866 2.171 3.781 0.281 4 0 "[ . 1 . 2]" 1
348 1 46 ILE HB 1 47 CYS HB3 4.000 . 5.000 3.888 3.390 4.331 . 0 0 "[ . 1 . 2]" 1
349 1 46 ILE HB 1 64 HIS HD2 3.000 . 3.500 3.451 2.963 4.757 1.257 15 1 "[ . 1 + 2]" 1
350 1 46 ILE QG 1 46 ILE MG 3.000 . 3.500 2.257 2.112 2.351 . 0 0 "[ . 1 . 2]" 1
351 1 46 ILE MG 1 47 CYS H 4.000 . 5.000 3.504 2.929 4.262 . 0 0 "[ . 1 . 2]" 1
352 1 46 ILE MG 1 47 CYS HA 4.000 . 5.000 4.132 3.640 4.760 . 0 0 "[ . 1 . 2]" 1
353 1 46 ILE MG 1 47 CYS HB2 4.000 . 5.000 4.511 3.778 5.065 0.065 10 0 "[ . 1 . 2]" 1
354 1 46 ILE MG 1 47 CYS HB3 4.000 . 5.000 2.976 2.195 3.527 . 0 0 "[ . 1 . 2]" 1
355 1 46 ILE MG 1 48 GLY H 4.000 . 5.000 5.552 5.086 6.163 1.163 10 8 "[ * *** * + . -*2]" 1
356 1 47 CYS H 1 47 CYS HB2 4.000 . 5.000 3.965 3.744 4.209 . 0 0 "[ . 1 . 2]" 1
357 1 47 CYS H 1 47 CYS HB3 4.000 . 5.000 3.264 2.947 3.615 . 0 0 "[ . 1 . 2]" 1
358 1 47 CYS H 1 48 GLY H 3.000 . 3.500 3.612 2.757 4.119 0.619 19 2 "[ -. 1 . +2]" 1
359 1 47 CYS H 1 48 GLY QA 3.000 . 3.500 3.873 3.723 4.302 0.802 15 5 "[ -. * 1 +* *2]" 1
360 1 47 CYS HA 1 47 CYS HB2 3.000 . 3.500 2.416 2.365 2.457 . 0 0 "[ . 1 . 2]" 1
361 1 47 CYS HA 1 47 CYS HB3 3.000 . 3.500 2.593 2.527 2.710 . 0 0 "[ . 1 . 2]" 1
362 1 47 CYS HB3 1 48 GLY H 4.000 . 5.000 3.498 3.449 3.550 . 0 0 "[ . 1 . 2]" 1
363 1 48 GLY H 1 49 PHE H 4.000 . 5.000 4.331 4.102 4.442 . 0 0 "[ . 1 . 2]" 1
364 1 48 GLY H 1 49 PHE HB2 4.000 . 5.000 4.235 3.784 4.504 . 0 0 "[ . 1 . 2]" 1
365 1 49 PHE H 1 49 PHE HB2 4.000 . 5.000 3.685 3.594 3.766 . 0 0 "[ . 1 . 2]" 1
366 1 49 PHE H 1 49 PHE HB3 3.000 . 3.500 3.307 3.202 3.425 . 0 0 "[ . 1 . 2]" 1
367 1 49 PHE H 1 49 PHE QD 3.000 . 3.500 4.491 4.370 4.589 1.089 9 20 [*-******+***********] 1
368 1 49 PHE H 1 50 THR H 3.000 . 3.500 3.499 3.409 3.567 0.067 18 0 "[ . 1 . 2]" 1
369 1 49 PHE H 1 50 THR HA 3.000 . 3.500 3.919 3.777 4.291 0.791 9 2 "[ . +1 . - 2]" 1
370 1 49 PHE HA 1 49 PHE QD 3.000 . 3.500 3.072 2.236 3.325 . 0 0 "[ . 1 . 2]" 1
371 1 49 PHE HA 1 50 THR H 2.000 . 2.700 2.254 2.210 2.280 . 0 0 "[ . 1 . 2]" 1
372 1 49 PHE HB2 1 50 THR H 4.000 . 5.000 4.465 4.375 4.569 . 0 0 "[ . 1 . 2]" 1
373 1 49 PHE HB3 1 57 LEU QD 4.000 . 5.000 4.576 4.008 5.185 0.185 18 0 "[ . 1 . 2]" 1
374 1 49 PHE QD 1 50 THR H 4.000 . 5.000 3.801 3.056 3.975 . 0 0 "[ . 1 . 2]" 1
375 1 49 PHE QD 1 50 THR HA 4.000 . 5.000 4.073 3.681 4.923 . 0 0 "[ . 1 . 2]" 1
376 1 49 PHE QD 1 51 CYS H 4.000 . 6.000 4.734 4.180 5.306 . 0 0 "[ . 1 . 2]" 1
377 1 49 PHE QD 1 57 LEU QD 4.000 . 5.000 3.537 2.965 4.246 . 0 0 "[ . 1 . 2]" 1
378 1 50 THR H 1 50 THR HB 3.000 . 3.500 2.911 2.739 3.569 0.069 19 0 "[ . 1 . 2]" 1
379 1 50 THR H 1 50 THR MG 4.000 . 5.000 3.889 3.284 3.988 . 0 0 "[ . 1 . 2]" 1
380 1 50 THR H 1 51 CYS H 3.000 . 3.500 4.303 4.168 4.384 0.884 5 20 [****+*********-*****] 1
381 1 50 THR HA 1 50 THR HB 3.000 . 3.500 3.001 2.702 3.049 . 0 0 "[ . 1 . 2]" 1
382 1 50 THR HA 1 50 THR MG 3.000 . 3.500 2.323 2.239 2.381 . 0 0 "[ . 1 . 2]" 1
383 1 50 THR HA 1 51 CYS H 2.000 . 2.700 2.126 2.060 2.191 . 0 0 "[ . 1 . 2]" 1
384 1 50 THR HA 1 51 CYS HA 4.000 . 5.000 4.483 4.455 4.526 . 0 0 "[ . 1 . 2]" 1
385 1 50 THR HB 1 51 CYS H 3.000 . 3.500 3.759 3.348 3.934 0.434 14 0 "[ . 1 . 2]" 1
386 1 50 THR MG 1 51 CYS H 3.000 . 3.500 2.551 2.214 3.570 0.070 19 0 "[ . 1 . 2]" 1
387 1 51 CYS HA 1 51 CYS QB 2.000 . 2.700 2.344 2.200 2.437 . 0 0 "[ . 1 . 2]" 1
388 1 52 ARG QB 1 52 ARG QD 3.000 . 3.500 2.438 2.171 2.907 . 0 0 "[ . 1 . 2]" 1
389 1 52 ARG QB 1 53 GLN H 4.000 . 5.000 3.419 2.595 4.023 . 0 0 "[ . 1 . 2]" 1
390 1 52 ARG QD 1 52 ARG QG 2.000 . 2.700 2.059 2.004 2.111 . 0 0 "[ . 1 . 2]" 1
391 1 52 ARG QD 1 53 GLN H 4.000 . 5.000 4.314 2.096 5.083 0.083 7 0 "[ . 1 . 2]" 1
392 1 53 GLN H 1 53 GLN QG 4.000 . 5.000 3.161 2.166 4.126 . 0 0 "[ . 1 . 2]" 1
393 1 53 GLN H 1 56 SER H 4.000 . 6.000 4.707 4.449 4.941 . 0 0 "[ . 1 . 2]" 1
394 1 53 GLN QB 1 56 SER H 3.000 . 3.500 2.932 2.537 3.550 0.050 12 0 "[ . 1 . 2]" 1
395 1 53 GLN QB 1 56 SER QB 4.000 . 5.000 2.858 2.001 4.699 . 0 0 "[ . 1 . 2]" 1
396 1 54 LYS HA 1 54 LYS QG 3.000 . 3.500 2.959 2.426 3.521 0.021 1 0 "[ . 1 . 2]" 1
397 1 54 LYS HA 1 57 LEU H 4.000 . 5.000 3.907 3.192 4.249 . 0 0 "[ . 1 . 2]" 1
398 1 54 LYS HA 1 58 ASN H 4.000 . 5.000 4.114 3.566 4.410 . 0 0 "[ . 1 . 2]" 1
399 1 54 LYS QB 1 54 LYS QG 2.000 . 2.700 2.105 2.026 2.122 . 0 0 "[ . 1 . 2]" 1
400 1 54 LYS QD 1 54 LYS QE 2.000 . 2.700 2.054 2.012 2.115 . 0 0 "[ . 1 . 2]" 1
401 1 55 ALA MB 1 56 SER H 3.000 . 3.500 2.649 2.492 2.825 . 0 0 "[ . 1 . 2]" 1
402 1 55 ALA MB 1 56 SER HA 4.000 . 5.000 3.849 3.712 4.049 . 0 0 "[ . 1 . 2]" 1
403 1 56 SER H 1 57 LEU H 3.000 . 3.500 2.957 2.770 3.145 . 0 0 "[ . 1 . 2]" 1
404 1 56 SER H 1 57 LEU QD 3.000 . 3.500 3.505 3.389 3.599 0.099 12 0 "[ . 1 . 2]" 1
405 1 56 SER H 1 58 ASN H 4.000 . 5.000 4.061 3.903 4.406 . 0 0 "[ . 1 . 2]" 1
406 1 57 LEU H 1 57 LEU HA 3.000 . 3.500 2.869 2.854 2.884 . 0 0 "[ . 1 . 2]" 1
407 1 57 LEU H 1 57 LEU HB2 3.000 . 3.500 3.669 3.620 3.723 0.223 2 0 "[ . 1 . 2]" 1
408 1 57 LEU H 1 57 LEU HB3 3.000 . 3.500 2.806 2.624 3.045 . 0 0 "[ . 1 . 2]" 1
409 1 57 LEU H 1 57 LEU QD 3.000 . 3.500 1.802 1.677 2.171 0.123 4 0 "[ . 1 . 2]" 1
410 1 57 LEU H 1 57 LEU HG 3.000 . 3.500 2.833 2.213 3.514 0.014 18 0 "[ . 1 . 2]" 1
411 1 57 LEU H 1 58 ASN H 3.000 . 3.500 2.566 2.477 2.676 . 0 0 "[ . 1 . 2]" 1
412 1 57 LEU H 1 58 ASN QB 4.000 . 5.000 4.302 4.170 4.605 . 0 0 "[ . 1 . 2]" 1
413 1 57 LEU H 1 60 HIS H 4.000 . 5.000 5.008 4.774 5.148 0.148 11 0 "[ . 1 . 2]" 1
414 1 57 LEU H 1 60 HIS HB3 4.000 . 5.000 4.628 4.428 4.943 . 0 0 "[ . 1 . 2]" 1
415 1 57 LEU HA 1 60 HIS H 3.000 . 3.500 3.424 2.933 3.697 0.197 12 0 "[ . 1 . 2]" 1
416 1 57 LEU HA 1 60 HIS HB3 3.000 . 3.500 1.945 1.766 2.140 0.034 4 0 "[ . 1 . 2]" 1
417 1 57 LEU HA 1 60 HIS HD2 4.000 . 5.000 3.306 2.697 3.813 . 0 0 "[ . 1 . 2]" 1
418 1 57 LEU HB2 1 57 LEU QD 3.000 . 3.500 2.199 2.175 2.230 . 0 0 "[ . 1 . 2]" 1
419 1 57 LEU HB2 1 60 HIS HD2 3.000 . 3.500 3.359 3.105 3.491 . 0 0 "[ . 1 . 2]" 1
420 1 57 LEU HB3 1 57 LEU MD1 3.000 . 3.500 2.714 2.534 2.992 . 0 0 "[ . 1 . 2]" 1
421 1 57 LEU HB3 1 57 LEU QD 2.000 . 2.700 2.168 2.150 2.192 . 0 0 "[ . 1 . 2]" 1
422 1 57 LEU HB3 1 57 LEU MD2 3.000 . 3.500 2.286 2.222 2.399 . 0 0 "[ . 1 . 2]" 1
423 1 57 LEU QD 1 58 ASN H 3.000 . 3.500 2.922 2.365 3.317 . 0 0 "[ . 1 . 2]" 1
424 1 57 LEU QD 1 58 ASN HA 4.000 . 5.000 4.024 3.280 4.383 . 0 0 "[ . 1 . 2]" 1
425 1 57 LEU QD 1 60 HIS HB3 4.000 . 5.000 4.710 4.551 4.857 . 0 0 "[ . 1 . 2]" 1
426 1 57 LEU HG 1 58 ASN H 3.000 . 3.500 2.351 1.814 2.841 . 0 0 "[ . 1 . 2]" 1
427 1 57 LEU HG 1 58 ASN HA 4.000 . 5.000 3.767 3.076 4.271 . 0 0 "[ . 1 . 2]" 1
428 1 57 LEU HG 1 58 ASN QB 4.000 . 5.000 3.703 3.386 4.018 . 0 0 "[ . 1 . 2]" 1
429 1 58 ASN H 1 58 ASN HA 3.000 . 3.500 2.733 2.685 2.806 . 0 0 "[ . 1 . 2]" 1
430 1 58 ASN H 1 58 ASN QB 2.000 . 2.700 2.274 2.212 2.455 . 0 0 "[ . 1 . 2]" 1
431 1 58 ASN H 1 59 TRP H 3.000 . 3.500 2.966 2.735 3.094 . 0 0 "[ . 1 . 2]" 1
432 1 58 ASN HA 1 59 TRP H 2.000 . 2.700 3.550 3.466 3.621 0.921 18 20 [**************-**+**] 1
433 1 58 ASN QB 1 58 ASN HD21 3.000 . 3.500 2.231 2.166 2.288 . 0 0 "[ . 1 . 2]" 1
434 1 58 ASN QB 1 58 ASN HD22 3.000 . 3.500 3.299 3.238 3.339 . 0 0 "[ . 1 . 2]" 1
435 1 58 ASN QB 1 59 TRP H 3.000 . 3.500 2.767 2.429 3.590 0.090 9 0 "[ . 1 . 2]" 1
436 1 58 ASN QB 1 59 TRP QB 4.000 . 5.000 4.378 3.868 4.897 . 0 0 "[ . 1 . 2]" 1
437 1 58 ASN QB 1 59 TRP HD1 4.000 . 5.000 4.020 2.606 5.179 0.179 2 0 "[ . 1 . 2]" 1
438 1 58 ASN QD 1 59 TRP HD1 4.000 . 5.000 4.217 3.281 5.067 0.067 10 0 "[ . 1 . 2]" 1
439 1 59 TRP H 1 59 TRP QB 2.000 . 2.700 2.468 2.317 2.763 0.063 4 0 "[ . 1 . 2]" 1
440 1 59 TRP H 1 59 TRP HD1 4.000 . 5.000 3.143 2.482 3.871 . 0 0 "[ . 1 . 2]" 1
441 1 59 TRP H 1 60 HIS H 3.000 . 3.500 2.470 2.167 2.560 . 0 0 "[ . 1 . 2]" 1
442 1 59 TRP HA 1 59 TRP QB 2.000 . 2.700 2.370 2.183 2.477 . 0 0 "[ . 1 . 2]" 1
443 1 59 TRP HA 1 59 TRP HE3 4.000 . 5.000 2.909 1.926 4.289 . 0 0 "[ . 1 . 2]" 1
444 1 59 TRP HA 1 61 MET H 4.000 . 5.000 4.217 3.899 4.559 . 0 0 "[ . 1 . 2]" 1
445 1 59 TRP HA 1 62 LYS H 3.000 . 3.500 3.265 2.928 3.680 0.180 13 0 "[ . 1 . 2]" 1
446 1 59 TRP QB 1 59 TRP HD1 3.000 . 3.500 2.600 2.512 2.874 . 0 0 "[ . 1 . 2]" 1
447 1 59 TRP QB 1 59 TRP HE3 3.000 . 3.500 2.770 2.406 3.201 . 0 0 "[ . 1 . 2]" 1
448 1 59 TRP QB 1 62 LYS QE 4.000 . 6.000 4.489 2.218 6.253 0.253 16 0 "[ . 1 . 2]" 1
449 1 59 TRP HE3 1 62 LYS QD 4.000 . 5.000 3.568 2.210 5.045 0.045 18 0 "[ . 1 . 2]" 1
450 1 59 TRP HE3 1 62 LYS QE 4.000 . 5.000 3.600 2.079 5.128 0.128 4 0 "[ . 1 . 2]" 1
451 1 60 HIS H 1 60 HIS HB2 3.000 . 3.500 2.619 2.449 3.069 . 0 0 "[ . 1 . 2]" 1
452 1 60 HIS H 1 60 HIS HB3 3.000 . 3.500 2.451 2.199 2.631 . 0 0 "[ . 1 . 2]" 1
453 1 60 HIS H 1 61 MET H 3.000 . 3.500 3.199 2.248 3.353 . 0 0 "[ . 1 . 2]" 1
454 1 60 HIS H 1 62 LYS H 4.000 . 5.000 4.548 3.915 4.759 . 0 0 "[ . 1 . 2]" 1
455 1 60 HIS HA 1 60 HIS HB2 3.000 . 3.500 2.376 2.324 2.423 . 0 0 "[ . 1 . 2]" 1
456 1 60 HIS HA 1 62 LYS H 4.000 . 5.000 4.596 4.352 4.869 . 0 0 "[ . 1 . 2]" 1
457 1 60 HIS HA 1 63 LYS QB 4.000 . 5.000 2.706 2.336 3.298 . 0 0 "[ . 1 . 2]" 1
458 1 60 HIS HA 1 63 LYS QD 4.000 . 5.000 3.465 1.894 4.960 . 0 0 "[ . 1 . 2]" 1
459 1 60 HIS HA 1 63 LYS QG 3.000 . 3.500 2.291 1.748 3.031 0.052 2 0 "[ . 1 . 2]" 1
460 1 60 HIS HB2 1 60 HIS HD2 3.000 . 3.500 3.707 3.626 3.777 0.277 6 0 "[ . 1 . 2]" 1
461 1 60 HIS HB3 1 60 HIS HD2 3.000 . 3.500 2.618 2.573 2.674 . 0 0 "[ . 1 . 2]" 1
462 1 60 HIS HB3 1 61 MET H 3.000 . 3.500 2.917 2.736 3.075 . 0 0 "[ . 1 . 2]" 1
463 1 60 HIS HD2 1 61 MET H 4.000 . 5.000 3.717 3.129 4.241 . 0 0 "[ . 1 . 2]" 1
464 1 61 MET H 1 61 MET QB 3.000 . 3.500 2.508 2.099 2.735 . 0 0 "[ . 1 . 2]" 1
465 1 61 MET H 1 61 MET QG 3.000 . 3.500 2.489 2.122 3.934 0.434 10 0 "[ . 1 . 2]" 1
466 1 61 MET H 1 62 LYS H 3.000 . 3.500 2.696 2.560 2.871 . 0 0 "[ . 1 . 2]" 1
467 1 61 MET H 1 63 LYS H 4.000 . 5.000 3.952 3.817 4.158 . 0 0 "[ . 1 . 2]" 1
468 1 61 MET H 1 64 HIS H 4.000 . 6.000 4.908 4.689 5.129 . 0 0 "[ . 1 . 2]" 1
469 1 61 MET H 1 64 HIS HD2 4.000 . 5.000 4.252 3.805 4.536 . 0 0 "[ . 1 . 2]" 1
470 1 61 MET HA 1 61 MET QB 2.000 . 2.700 2.254 2.165 2.427 . 0 0 "[ . 1 . 2]" 1
471 1 61 MET HA 1 64 HIS H 3.000 . 3.500 3.212 2.829 3.612 0.112 13 0 "[ . 1 . 2]" 1
472 1 61 MET HA 1 64 HIS HD2 3.000 . 3.500 1.779 1.655 1.942 0.145 6 0 "[ . 1 . 2]" 1
473 1 61 MET QB 1 62 LYS H 3.000 . 3.500 3.123 2.364 3.572 0.072 2 0 "[ . 1 . 2]" 1
474 1 61 MET QB 1 62 LYS HA 4.000 . 5.000 4.468 3.902 4.788 . 0 0 "[ . 1 . 2]" 1
475 1 61 MET QB 1 64 HIS HD2 3.000 . 3.500 3.453 3.047 3.817 0.317 12 0 "[ . 1 . 2]" 1
476 1 61 MET QG 1 62 LYS H 4.000 . 5.000 2.969 1.892 4.271 . 0 0 "[ . 1 . 2]" 1
477 1 62 LYS H 1 62 LYS QE 4.000 . 5.000 4.379 3.696 4.934 . 0 0 "[ . 1 . 2]" 1
478 1 62 LYS H 1 63 LYS H 3.000 . 3.500 2.737 2.595 2.783 . 0 0 "[ . 1 . 2]" 1
479 1 62 LYS H 1 63 LYS QG 4.000 . 5.000 4.403 4.080 5.078 0.078 11 0 "[ . 1 . 2]" 1
480 1 62 LYS HA 1 62 LYS QB 2.000 . 2.700 2.395 2.343 2.465 . 0 0 "[ . 1 . 2]" 1
481 1 62 LYS HA 1 65 ASP H 3.000 . 3.500 3.257 2.912 3.529 0.029 10 0 "[ . 1 . 2]" 1
482 1 62 LYS HA 1 65 ASP QB 3.000 . 3.500 2.431 1.808 3.168 . 0 0 "[ . 1 . 2]" 1
483 1 62 LYS QG 1 65 ASP QB 4.000 . 5.000 3.548 2.788 4.650 . 0 0 "[ . 1 . 2]" 1
484 1 63 LYS H 1 63 LYS HA 3.000 . 3.500 2.834 2.776 2.885 . 0 0 "[ . 1 . 2]" 1
485 1 63 LYS H 1 63 LYS QB 2.000 . 2.700 2.569 2.278 2.777 0.077 19 0 "[ . 1 . 2]" 1
486 1 63 LYS H 1 63 LYS QG 3.000 . 3.500 2.337 2.053 3.138 . 0 0 "[ . 1 . 2]" 1
487 1 63 LYS H 1 64 HIS H 3.000 . 3.500 2.744 2.546 2.947 . 0 0 "[ . 1 . 2]" 1
488 1 63 LYS HA 1 63 LYS QB 2.000 . 2.700 2.372 2.170 2.435 . 0 0 "[ . 1 . 2]" 1
489 1 63 LYS HA 1 63 LYS QD 4.000 . 5.000 2.913 2.030 4.283 . 0 0 "[ . 1 . 2]" 1
490 1 63 LYS HA 1 63 LYS QE 4.000 . 5.000 3.523 2.066 5.132 0.132 15 0 "[ . 1 . 2]" 1
491 1 63 LYS HA 1 63 LYS QG 3.000 . 3.500 2.882 2.420 3.562 0.062 11 0 "[ . 1 . 2]" 1
492 1 63 LYS HA 1 65 ASP H 4.000 . 5.000 3.879 3.507 4.422 . 0 0 "[ . 1 . 2]" 1
493 1 63 LYS QB 1 63 LYS QG 2.000 . 2.700 2.037 1.992 2.115 . 0 0 "[ . 1 . 2]" 1
494 1 63 LYS QB 1 64 HIS H 3.000 . 3.500 2.835 2.542 3.522 0.022 11 0 "[ . 1 . 2]" 1
495 1 63 LYS QD 1 63 LYS QG 2.000 . 2.700 2.050 2.012 2.116 . 0 0 "[ . 1 . 2]" 1
496 1 63 LYS QE 1 63 LYS QG 3.000 . 3.500 2.486 2.181 2.925 . 0 0 "[ . 1 . 2]" 1
497 1 63 LYS QG 1 64 HIS H 4.000 . 5.000 4.107 2.507 4.393 . 0 0 "[ . 1 . 2]" 1
498 1 64 HIS H 1 64 HIS QB 3.000 . 3.500 2.475 2.325 2.841 . 0 0 "[ . 1 . 2]" 1
499 1 64 HIS H 1 64 HIS HD2 3.000 . 3.500 3.235 2.796 3.523 0.023 14 0 "[ . 1 . 2]" 1
500 1 64 HIS H 1 65 ASP H 3.000 . 3.500 2.525 2.187 2.773 . 0 0 "[ . 1 . 2]" 1
501 1 64 HIS H 1 66 ALA H 4.000 . 5.000 4.298 3.801 5.107 0.107 1 0 "[ . 1 . 2]" 1
502 1 64 HIS HA 1 67 ASP H 3.000 . 3.500 3.350 1.932 3.760 0.260 4 0 "[ . 1 . 2]" 1
503 1 64 HIS QB 1 64 HIS HD2 3.000 . 3.500 2.676 2.570 3.029 . 0 0 "[ . 1 . 2]" 1
504 1 64 HIS QB 1 65 ASP H 4.000 . 5.000 3.242 2.815 4.088 . 0 0 "[ . 1 . 2]" 1
505 1 65 ASP H 1 65 ASP QB 2.000 . 2.700 2.299 2.214 2.524 . 0 0 "[ . 1 . 2]" 1
506 1 65 ASP H 1 66 ALA H 3.000 . 3.500 2.402 1.943 2.977 . 0 0 "[ . 1 . 2]" 1
507 1 65 ASP H 1 66 ALA MB 4.000 . 5.000 4.146 3.592 4.888 . 0 0 "[ . 1 . 2]" 1
508 1 65 ASP HA 1 65 ASP QB 2.000 . 2.700 2.369 2.305 2.406 . 0 0 "[ . 1 . 2]" 1
509 1 65 ASP HA 1 66 ALA H 3.000 . 3.500 3.476 3.381 3.603 0.103 20 0 "[ . 1 . 2]" 1
510 1 65 ASP HA 1 67 ASP H 4.000 . 5.000 4.355 3.810 5.061 0.061 16 0 "[ . 1 . 2]" 1
511 1 65 ASP QB 1 66 ALA H 3.000 . 3.500 2.846 2.099 3.284 . 0 0 "[ . 1 . 2]" 1
512 1 66 ALA H 1 66 ALA MB 2.000 . 2.700 2.337 2.233 2.456 . 0 0 "[ . 1 . 2]" 1
513 1 66 ALA MB 1 67 ASP H 3.000 . 3.500 2.938 2.196 3.539 0.039 13 0 "[ . 1 . 2]" 1
514 1 66 ALA MB 1 68 SER H 4.000 . 5.000 3.633 2.316 4.773 . 0 0 "[ . 1 . 2]" 1
515 1 67 ASP H 1 67 ASP QB 3.000 . 3.500 2.916 2.204 3.484 . 0 0 "[ . 1 . 2]" 1
516 1 67 ASP H 1 68 SER H 3.000 . 3.500 2.917 1.943 3.929 0.429 8 0 "[ . 1 . 2]" 1
517 1 67 ASP HA 1 67 ASP QB 2.000 . 2.700 2.352 2.177 2.507 . 0 0 "[ . 1 . 2]" 1
518 1 67 ASP HA 1 68 SER H 3.000 . 3.500 3.139 2.301 3.581 0.081 7 0 "[ . 1 . 2]" 1
519 1 68 SER H 1 68 SER QB 3.000 . 3.500 2.422 2.186 2.718 . 0 0 "[ . 1 . 2]" 1
520 1 68 SER HA 1 68 SER QB 2.000 . 2.700 2.324 2.190 2.410 . 0 0 "[ . 1 . 2]" 1
521 1 68 SER QB 1 69 PHE H 3.000 . 3.500 2.948 2.111 3.565 0.065 19 0 "[ . 1 . 2]" 1
522 1 68 SER QB 1 70 TYR H 4.000 . 5.000 4.615 3.576 5.100 0.100 1 0 "[ . 1 . 2]" 1
523 1 69 PHE H 1 69 PHE QB 3.000 . 3.500 2.513 2.211 2.764 . 0 0 "[ . 1 . 2]" 1
524 1 69 PHE H 1 69 PHE QD 4.000 . 5.000 3.357 2.165 4.400 . 0 0 "[ . 1 . 2]" 1
525 1 69 PHE HA 1 69 PHE QB 2.000 . 2.700 2.424 2.362 2.506 . 0 0 "[ . 1 . 2]" 1
526 1 69 PHE HA 1 69 PHE QD 3.000 . 3.500 2.794 2.421 3.067 . 0 0 "[ . 1 . 2]" 1
527 1 69 PHE HA 1 69 PHE QE 4.000 . 5.000 4.601 4.460 4.747 . 0 0 "[ . 1 . 2]" 1
528 1 70 TYR H 1 70 TYR QB 3.000 . 3.500 2.704 2.194 3.326 . 0 0 "[ . 1 . 2]" 1
529 1 70 TYR H 1 70 TYR QD 4.000 . 5.000 3.534 2.216 4.466 . 0 0 "[ . 1 . 2]" 1
530 1 70 TYR H 1 71 GLN H 3.000 . 3.500 2.993 1.849 3.646 0.146 9 0 "[ . 1 . 2]" 1
531 1 70 TYR HA 1 70 TYR QD 3.000 . 3.500 2.671 2.291 3.123 . 0 0 "[ . 1 . 2]" 1
532 1 70 TYR HA 1 71 GLN H 4.000 . 5.000 2.942 2.196 3.598 . 0 0 "[ . 1 . 2]" 1
533 1 70 TYR QB 1 71 GLN H 4.000 . 5.000 3.394 1.816 4.033 . 0 0 "[ . 1 . 2]" 1
534 1 70 TYR QD 1 71 GLN H 4.000 . 5.000 4.446 2.356 5.098 0.098 15 0 "[ . 1 . 2]" 1
535 1 71 GLN H 1 71 GLN QB 3.000 . 3.500 2.480 2.217 3.031 . 0 0 "[ . 1 . 2]" 1
536 1 71 GLN H 1 71 GLN QG 4.000 . 5.000 2.811 2.087 4.040 . 0 0 "[ . 1 . 2]" 1
537 1 71 GLN H 1 72 PHE H 3.000 . 3.500 2.673 2.011 3.536 0.036 7 0 "[ . 1 . 2]" 1
538 1 71 GLN HA 1 71 GLN QB 2.000 . 2.700 2.386 2.189 2.480 . 0 0 "[ . 1 . 2]" 1
539 1 71 GLN HA 1 71 GLN QG 3.000 . 3.500 2.679 2.356 3.191 . 0 0 "[ . 1 . 2]" 1
540 1 71 GLN HA 1 72 PHE H 3.000 . 3.500 3.457 3.168 3.605 0.105 14 0 "[ . 1 . 2]" 1
541 1 71 GLN HA 1 72 PHE QD 4.000 . 5.000 4.583 3.484 5.091 0.091 12 0 "[ . 1 . 2]" 1
542 1 71 GLN QB 1 71 GLN QG 2.000 . 2.700 2.070 1.973 2.110 . 0 0 "[ . 1 . 2]" 1
543 1 71 GLN QB 1 72 PHE H 3.000 . 3.500 2.685 1.817 3.668 0.168 17 0 "[ . 1 . 2]" 1
544 1 71 GLN QB 1 72 PHE QD 3.000 . 3.500 2.764 2.375 3.280 . 0 0 "[ . 1 . 2]" 1
545 1 71 GLN QG 1 72 PHE QD 4.000 . 5.000 4.422 2.433 4.989 . 0 0 "[ . 1 . 2]" 1
546 1 71 GLN QG 1 72 PHE QE 4.000 . 5.000 4.609 2.618 5.252 0.252 4 0 "[ . 1 . 2]" 1
547 1 72 PHE H 1 72 PHE HB2 3.000 . 3.500 2.877 2.542 3.082 . 0 0 "[ . 1 . 2]" 1
548 1 72 PHE H 1 72 PHE QD 3.000 . 3.500 3.238 2.251 3.573 0.073 1 0 "[ . 1 . 2]" 1
549 1 72 PHE H 1 73 SER H 3.000 . 3.500 4.123 3.912 4.484 0.984 8 14 "[ * ****+***- .** **]" 1
550 1 72 PHE HA 1 72 PHE HB3 3.000 . 3.500 2.487 2.399 2.610 . 0 0 "[ . 1 . 2]" 1
551 1 72 PHE HA 1 72 PHE QD 3.000 . 3.500 2.971 2.798 3.245 . 0 0 "[ . 1 . 2]" 1
552 1 72 PHE HA 1 73 SER H 2.000 . 2.700 2.170 2.074 2.287 . 0 0 "[ . 1 . 2]" 1
553 1 72 PHE HA 1 87 VAL QG 4.000 . 5.000 3.830 3.171 4.565 . 0 0 "[ . 1 . 2]" 1
554 1 72 PHE HB2 1 81 PHE HB2 4.000 . 5.000 4.077 2.748 5.097 0.097 17 0 "[ . 1 . 2]" 1
555 1 72 PHE HB2 1 87 VAL QG 4.000 . 5.000 3.756 2.882 4.916 . 0 0 "[ . 1 . 2]" 1
556 1 72 PHE HB3 1 73 SER H 3.000 . 3.500 3.104 2.544 3.383 . 0 0 "[ . 1 . 2]" 1
557 1 72 PHE HB3 1 81 PHE H 3.000 . 3.500 3.289 2.257 3.732 0.232 11 0 "[ . 1 . 2]" 1
558 1 72 PHE HB3 1 87 VAL QG 3.000 . 3.500 2.635 1.950 3.544 0.044 17 0 "[ . 1 . 2]" 1
559 1 72 PHE QD 1 83 LYS HA 4.000 . 5.000 3.383 2.676 4.208 . 0 0 "[ . 1 . 2]" 1
560 1 72 PHE QD 1 84 LYS QG 4.000 . 5.000 2.721 1.734 4.600 0.066 13 0 "[ . 1 . 2]" 1
561 1 72 PHE QE 1 83 LYS HA 3.000 . 3.500 3.034 2.204 3.541 0.041 3 0 "[ . 1 . 2]" 1
562 1 72 PHE QE 1 84 LYS QD 4.000 . 5.000 3.701 2.697 4.943 . 0 0 "[ . 1 . 2]" 1
563 1 72 PHE QE 1 84 LYS QG 4.000 . 5.000 2.485 1.907 3.661 . 0 0 "[ . 1 . 2]" 1
564 1 73 SER H 1 73 SER QB 3.000 . 3.500 3.047 2.537 3.330 . 0 0 "[ . 1 . 2]" 1
565 1 73 SER H 1 74 CYS H 3.000 . 3.500 4.208 3.862 4.446 0.946 11 14 "[***** -**1+** * * *]" 1
566 1 73 SER H 1 87 VAL QG 3.000 . 3.500 3.122 2.758 3.453 . 0 0 "[ . 1 . 2]" 1
567 1 73 SER HA 1 74 CYS H 2.000 . 2.700 2.248 2.076 2.468 . 0 0 "[ . 1 . 2]" 1
568 1 73 SER HA 1 79 LYS H 4.000 . 5.000 4.907 4.567 5.236 0.236 14 0 "[ . 1 . 2]" 1
569 1 73 SER HA 1 80 LYS HA 3.000 . 3.500 2.426 1.701 3.553 0.099 12 0 "[ . 1 . 2]" 1
570 1 73 SER HA 1 80 LYS QD 3.000 . 3.500 2.611 2.026 3.355 . 0 0 "[ . 1 . 2]" 1
571 1 73 SER HA 1 80 LYS QE 4.000 . 5.000 4.154 3.208 5.102 0.102 15 0 "[ . 1 . 2]" 1
572 1 73 SER HA 1 80 LYS QG 4.000 . 5.000 3.670 2.742 4.484 . 0 0 "[ . 1 . 2]" 1
573 1 73 SER HA 1 81 PHE H 4.000 . 5.000 3.667 2.635 4.918 . 0 0 "[ . 1 . 2]" 1
574 1 73 SER HA 1 81 PHE QD 4.000 . 5.000 4.189 3.011 5.122 0.122 10 0 "[ . 1 . 2]" 1
575 1 73 SER HA 1 87 VAL QG 4.000 . 5.000 3.792 3.279 4.262 . 0 0 "[ . 1 . 2]" 1
576 1 73 SER QB 1 80 LYS HA 4.000 . 5.000 4.042 2.907 4.996 . 0 0 "[ . 1 . 2]" 1
577 1 73 SER QB 1 80 LYS QD 4.000 . 5.000 2.884 2.179 4.075 . 0 0 "[ . 1 . 2]" 1
578 1 73 SER QB 1 80 LYS QG 4.000 . 5.000 3.851 2.204 5.030 0.030 14 0 "[ . 1 . 2]" 1
579 1 74 CYS H 1 74 CYS HB2 3.000 . 3.500 2.943 2.720 3.224 . 0 0 "[ . 1 . 2]" 1
580 1 74 CYS H 1 74 CYS HB3 3.000 . 3.500 2.436 2.322 2.642 . 0 0 "[ . 1 . 2]" 1
581 1 74 CYS H 1 77 CYS H 4.000 . 5.000 4.858 4.530 5.038 0.038 14 0 "[ . 1 . 2]" 1
582 1 74 CYS H 1 78 GLY H 3.000 . 3.500 3.710 3.558 3.880 0.380 11 0 "[ . 1 . 2]" 1
583 1 74 CYS H 1 78 GLY HA3 4.000 . 5.000 4.090 2.916 4.569 . 0 0 "[ . 1 . 2]" 1
584 1 74 CYS H 1 79 LYS H 3.000 . 3.500 3.264 2.920 3.530 0.030 14 0 "[ . 1 . 2]" 1
585 1 74 CYS H 1 79 LYS QB 4.000 . 5.000 4.283 3.670 4.800 . 0 0 "[ . 1 . 2]" 1
586 1 74 CYS H 1 80 LYS QD 3.000 . 3.500 3.493 3.083 3.736 0.236 12 0 "[ . 1 . 2]" 1
587 1 74 CYS H 1 81 PHE QE 4.000 . 5.000 4.242 2.962 5.017 0.017 11 0 "[ . 1 . 2]" 1
588 1 74 CYS H 1 87 VAL QG 4.000 . 5.000 3.551 3.137 4.344 . 0 0 "[ . 1 . 2]" 1
589 1 74 CYS HA 1 81 PHE QE 4.000 . 5.000 4.549 3.472 5.053 0.053 11 0 "[ . 1 . 2]" 1
590 1 74 CYS HB2 1 79 LYS H 3.000 . 3.500 3.376 2.921 3.633 0.133 11 0 "[ . 1 . 2]" 1
591 1 74 CYS HB2 1 79 LYS QB 4.000 . 5.000 3.466 2.858 4.365 . 0 0 "[ . 1 . 2]" 1
592 1 74 CYS HB2 1 81 PHE QE 3.000 . 3.500 2.398 1.765 2.918 0.035 17 0 "[ . 1 . 2]" 1
593 1 74 CYS HB3 1 77 CYS H 3.000 . 3.500 2.995 2.594 3.494 . 0 0 "[ . 1 . 2]" 1
594 1 74 CYS HB3 1 78 GLY H 4.000 . 5.000 2.642 2.132 3.549 . 0 0 "[ . 1 . 2]" 1
595 1 74 CYS HB3 1 79 LYS H 3.000 . 3.500 2.083 1.735 2.670 0.065 16 0 "[ . 1 . 2]" 1
596 1 74 CYS HB3 1 79 LYS QB 4.000 . 5.000 3.195 2.502 4.051 . 0 0 "[ . 1 . 2]" 1
597 1 74 CYS HB3 1 81 PHE QE 4.000 . 5.000 3.400 2.789 4.129 . 0 0 "[ . 1 . 2]" 1
598 1 75 ASN HA 1 75 ASN QB 2.000 . 2.700 2.372 2.189 2.418 . 0 0 "[ . 1 . 2]" 1
599 1 75 ASN HA 1 76 ILE H 3.000 . 3.500 3.443 3.304 3.511 0.011 1 0 "[ . 1 . 2]" 1
600 1 75 ASN QB 1 76 ILE H 4.000 . 5.000 3.183 2.764 3.706 . 0 0 "[ . 1 . 2]" 1
601 1 75 ASN QB 1 76 ILE HA 4.000 . 5.000 4.221 4.019 4.448 . 0 0 "[ . 1 . 2]" 1
602 1 76 ILE H 1 76 ILE HB 3.000 . 3.500 2.696 2.545 2.826 . 0 0 "[ . 1 . 2]" 1
603 1 76 ILE H 1 76 ILE HG12 3.000 . 3.500 3.167 2.836 3.463 . 0 0 "[ . 1 . 2]" 1
604 1 76 ILE H 1 76 ILE HG13 2.000 . 2.700 2.386 2.182 2.697 . 0 0 "[ . 1 . 2]" 1
605 1 76 ILE H 1 77 CYS H 3.000 . 3.500 2.399 1.940 2.550 . 0 0 "[ . 1 . 2]" 1
606 1 76 ILE H 1 77 CYS HA 4.000 . 5.000 5.003 4.493 5.118 0.118 1 0 "[ . 1 . 2]" 1
607 1 76 ILE H 1 78 GLY H 3.000 . 3.500 3.577 3.379 3.862 0.362 5 0 "[ . 1 . 2]" 1
608 1 76 ILE HA 1 76 ILE MD 4.000 . 5.000 3.796 3.746 3.865 . 0 0 "[ . 1 . 2]" 1
609 1 76 ILE HA 1 76 ILE HG12 3.000 . 3.500 2.600 2.483 2.731 . 0 0 "[ . 1 . 2]" 1
610 1 76 ILE HA 1 76 ILE HG13 4.000 . 5.000 3.441 3.219 3.597 . 0 0 "[ . 1 . 2]" 1
611 1 76 ILE HA 1 76 ILE MG 2.000 . 2.700 2.386 2.330 2.474 . 0 0 "[ . 1 . 2]" 1
612 1 76 ILE HB 1 76 ILE MD 3.000 . 3.500 2.672 2.617 2.742 . 0 0 "[ . 1 . 2]" 1
613 1 76 ILE HB 1 77 CYS H 3.000 . 3.500 2.897 2.675 3.230 . 0 0 "[ . 1 . 2]" 1
614 1 76 ILE HB 1 77 CYS HB3 4.000 . 5.000 3.831 3.620 4.126 . 0 0 "[ . 1 . 2]" 1
615 1 76 ILE MD 1 76 ILE MG 2.000 . 2.700 2.002 1.979 2.035 . 0 0 "[ . 1 . 2]" 1
616 1 76 ILE MD 1 91 LYS HA 4.000 . 5.000 3.930 3.509 5.096 0.096 6 0 "[ . 1 . 2]" 1
617 1 76 ILE MD 1 95 HIS QB 3.000 . 3.500 2.183 1.901 2.378 . 0 0 "[ . 1 . 2]" 1
618 1 76 ILE HG12 1 76 ILE MG 3.000 . 3.500 2.654 2.591 2.740 . 0 0 "[ . 1 . 2]" 1
619 1 76 ILE HG13 1 76 ILE MG 3.000 . 3.500 3.246 3.229 3.265 . 0 0 "[ . 1 . 2]" 1
620 1 76 ILE HG13 1 91 LYS HA 4.000 . 5.000 5.140 5.060 5.280 0.280 5 0 "[ . 1 . 2]" 1
621 1 76 ILE HG13 1 95 HIS HD2 3.000 . 3.500 3.575 3.504 3.652 0.152 4 0 "[ . 1 . 2]" 1
622 1 77 CYS H 1 78 GLY H 3.000 . 3.500 2.027 1.839 2.660 . 0 0 "[ . 1 . 2]" 1
623 1 77 CYS H 1 78 GLY HA2 4.000 . 5.000 4.132 4.006 4.272 . 0 0 "[ . 1 . 2]" 1
624 1 77 CYS H 1 79 LYS H 3.000 . 3.500 3.930 3.600 4.782 1.282 6 5 "[ *+ * 1 * - 2]" 1
625 1 77 CYS HA 1 77 CYS HB2 2.000 . 2.700 2.407 2.381 2.427 . 0 0 "[ . 1 . 2]" 1
626 1 77 CYS HA 1 77 CYS HB3 2.000 . 2.700 2.517 2.493 2.549 . 0 0 "[ . 1 . 2]" 1
627 1 77 CYS HA 1 78 GLY H 3.000 . 3.500 3.145 2.393 3.348 . 0 0 "[ . 1 . 2]" 1
628 1 77 CYS HA 1 79 LYS H 4.000 . 5.000 4.879 4.694 5.096 0.096 15 0 "[ . 1 . 2]" 1
629 1 78 GLY H 1 78 GLY HA2 2.000 . 2.700 2.323 2.261 2.637 . 0 0 "[ . 1 . 2]" 1
630 1 78 GLY H 1 78 GLY HA3 2.000 . 2.700 2.691 2.303 2.814 0.114 2 0 "[ . 1 . 2]" 1
631 1 78 GLY HA2 1 79 LYS H 3.000 . 3.500 2.813 2.419 2.962 . 0 0 "[ . 1 . 2]" 1
632 1 79 LYS H 1 79 LYS HB2 2.000 . 2.700 2.161 2.023 2.338 . 0 0 "[ . 1 . 2]" 1
633 1 79 LYS H 1 79 LYS QB 2.000 . 2.700 2.089 1.992 2.198 . 0 0 "[ . 1 . 2]" 1
634 1 79 LYS H 1 79 LYS HB3 2.000 . 2.700 2.803 2.671 2.992 0.292 2 0 "[ . 1 . 2]" 1
635 1 79 LYS H 1 79 LYS QG 3.000 . 3.500 3.801 3.626 3.921 0.421 14 0 "[ . 1 . 2]" 1
636 1 79 LYS H 1 81 PHE QD 4.000 . 5.000 4.959 4.237 5.162 0.162 2 0 "[ . 1 . 2]" 1
637 1 79 LYS H 1 81 PHE QE 4.000 . 5.000 3.756 2.817 4.183 . 0 0 "[ . 1 . 2]" 1
638 1 79 LYS HA 1 79 LYS QB 2.000 . 2.700 2.478 2.426 2.543 . 0 0 "[ . 1 . 2]" 1
639 1 79 LYS HA 1 79 LYS QE 4.000 . 5.000 4.183 2.914 4.837 . 0 0 "[ . 1 . 2]" 1
640 1 79 LYS HA 1 79 LYS HG2 3.000 . 3.500 2.451 2.300 2.977 . 0 0 "[ . 1 . 2]" 1
641 1 79 LYS HA 1 79 LYS QG 2.000 . 2.700 2.378 2.273 2.525 . 0 0 "[ . 1 . 2]" 1
642 1 79 LYS HA 1 79 LYS HG3 3.000 . 3.500 3.504 2.484 3.683 0.183 1 0 "[ . 1 . 2]" 1
643 1 79 LYS QB 1 81 PHE QD 4.000 . 5.000 3.589 3.266 3.986 . 0 0 "[ . 1 . 2]" 1
644 1 79 LYS QB 1 81 PHE QE 3.000 . 3.500 2.249 1.879 2.891 . 0 0 "[ . 1 . 2]" 1
645 1 79 LYS HB2 1 81 PHE QE 4.000 . 5.000 3.294 3.023 3.765 . 0 0 "[ . 1 . 2]" 1
646 1 79 LYS HB3 1 81 PHE QE 4.000 . 5.000 2.299 1.896 3.004 . 0 0 "[ . 1 . 2]" 1
647 1 80 LYS H 1 80 LYS QD 3.000 . 3.500 2.854 2.439 3.248 . 0 0 "[ . 1 . 2]" 1
648 1 80 LYS H 1 80 LYS QG 4.000 . 5.000 3.554 3.079 4.093 . 0 0 "[ . 1 . 2]" 1
649 1 80 LYS H 1 81 PHE H 3.000 . 3.500 3.699 3.575 3.794 0.294 18 0 "[ . 1 . 2]" 1
650 1 80 LYS H 1 81 PHE QD 4.000 . 5.000 3.310 3.054 3.486 . 0 0 "[ . 1 . 2]" 1
651 1 80 LYS H 1 81 PHE QE 4.000 . 5.000 3.584 3.227 4.060 . 0 0 "[ . 1 . 2]" 1
652 1 80 LYS H 1 87 VAL QG 4.000 . 5.000 4.200 3.744 4.845 . 0 0 "[ . 1 . 2]" 1
653 1 80 LYS HA 1 80 LYS QD 3.000 . 3.500 2.555 2.116 3.183 . 0 0 "[ . 1 . 2]" 1
654 1 80 LYS HA 1 80 LYS QG 3.000 . 3.500 2.754 2.369 3.184 . 0 0 "[ . 1 . 2]" 1
655 1 80 LYS HA 1 81 PHE H 2.000 . 2.700 2.117 2.061 2.183 . 0 0 "[ . 1 . 2]" 1
656 1 80 LYS HA 1 81 PHE QD 3.000 . 3.500 3.548 3.305 3.676 0.176 3 0 "[ . 1 . 2]" 1
657 1 80 LYS HA 1 87 VAL QG 4.000 . 5.000 4.091 3.455 4.651 . 0 0 "[ . 1 . 2]" 1
658 1 80 LYS QB 1 80 LYS QE 4.000 . 5.000 3.386 1.981 3.936 . 0 0 "[ . 1 . 2]" 1
659 1 80 LYS QD 1 80 LYS QE 2.000 . 2.700 2.058 2.005 2.116 . 0 0 "[ . 1 . 2]" 1
660 1 80 LYS QD 1 80 LYS QG 2.000 . 2.700 2.093 2.020 2.121 . 0 0 "[ . 1 . 2]" 1
661 1 81 PHE H 1 81 PHE HB2 3.000 . 3.500 2.649 2.536 2.774 . 0 0 "[ . 1 . 2]" 1
662 1 81 PHE H 1 81 PHE QD 3.000 . 3.500 2.843 2.576 3.022 . 0 0 "[ . 1 . 2]" 1
663 1 81 PHE H 1 81 PHE QE 4.000 . 5.000 4.899 4.492 5.039 0.039 12 0 "[ . 1 . 2]" 1
664 1 81 PHE H 1 87 VAL QG 3.000 . 3.500 3.178 2.742 3.588 0.088 2 0 "[ . 1 . 2]" 1
665 1 81 PHE HA 1 81 PHE QD 3.000 . 3.500 3.016 2.914 3.128 . 0 0 "[ . 1 . 2]" 1
666 1 81 PHE HA 1 86 SER QB 4.000 . 5.000 4.157 3.931 4.387 . 0 0 "[ . 1 . 2]" 1
667 1 81 PHE HB2 1 82 GLU H 4.000 . 5.000 3.759 3.559 3.920 . 0 0 "[ . 1 . 2]" 1
668 1 81 PHE HB2 1 83 LYS H 3.000 . 3.500 3.402 3.046 3.581 0.081 2 0 "[ . 1 . 2]" 1
669 1 81 PHE HB2 1 86 SER QB 3.000 . 3.500 2.967 2.698 3.151 . 0 0 "[ . 1 . 2]" 1
670 1 81 PHE HB2 1 87 VAL QG 3.000 . 3.500 1.979 1.870 2.149 . 0 0 "[ . 1 . 2]" 1
671 1 81 PHE HB3 1 82 GLU H 4.000 . 5.000 2.580 2.230 2.843 . 0 0 "[ . 1 . 2]" 1
672 1 81 PHE HB3 1 83 LYS H 3.000 . 3.500 2.740 2.499 3.007 . 0 0 "[ . 1 . 2]" 1
673 1 81 PHE HB3 1 86 SER QB 3.000 . 3.500 1.981 1.920 2.076 . 0 0 "[ . 1 . 2]" 1
674 1 81 PHE HB3 1 87 VAL QG 3.000 . 3.500 3.178 2.919 3.416 . 0 0 "[ . 1 . 2]" 1
675 1 81 PHE QD 1 82 GLU H 4.000 . 5.000 3.758 3.322 4.127 . 0 0 "[ . 1 . 2]" 1
676 1 81 PHE QD 1 86 SER QB 3.000 . 3.500 2.454 1.985 3.442 . 0 0 "[ . 1 . 2]" 1
677 1 81 PHE QD 1 87 VAL HA 4.000 . 5.000 3.209 2.743 3.753 . 0 0 "[ . 1 . 2]" 1
678 1 81 PHE QD 1 87 VAL HB 4.000 . 5.000 4.771 4.554 5.054 0.054 5 0 "[ . 1 . 2]" 1
679 1 81 PHE QD 1 87 VAL QG 3.000 . 3.500 1.969 1.786 2.239 0.014 19 0 "[ . 1 . 2]" 1
680 1 82 GLU H 1 82 GLU QB 3.000 . 3.500 2.391 2.177 2.833 . 0 0 "[ . 1 . 2]" 1
681 1 82 GLU H 1 82 GLU QG 4.000 . 5.000 3.026 1.947 4.064 . 0 0 "[ . 1 . 2]" 1
682 1 82 GLU H 1 83 LYS H 3.000 . 3.500 2.746 2.626 2.893 . 0 0 "[ . 1 . 2]" 1
683 1 82 GLU HA 1 83 LYS H 3.000 . 3.500 3.511 3.375 3.579 0.079 2 0 "[ . 1 . 2]" 1
684 1 83 LYS H 1 83 LYS HA 3.000 . 3.500 2.904 2.818 2.960 . 0 0 "[ . 1 . 2]" 1
685 1 83 LYS H 1 83 LYS QG 3.000 . 3.500 2.553 2.251 3.281 . 0 0 "[ . 1 . 2]" 1
686 1 83 LYS H 1 84 LYS H 3.000 . 3.500 4.328 4.166 4.401 0.901 2 20 [*+**********-*******] 1
687 1 83 LYS H 1 86 SER H 3.000 . 3.500 3.756 3.558 3.903 0.403 13 0 "[ . 1 . 2]" 1
688 1 83 LYS H 1 86 SER QB 3.000 . 3.500 2.790 2.441 3.082 . 0 0 "[ . 1 . 2]" 1
689 1 83 LYS HA 1 83 LYS QG 3.000 . 3.500 3.392 2.686 3.556 0.056 10 0 "[ . 1 . 2]" 1
690 1 83 LYS HA 1 84 LYS H 3.000 . 3.500 2.286 2.161 2.489 . 0 0 "[ . 1 . 2]" 1
691 1 83 LYS HA 1 84 LYS HA 4.000 . 5.000 4.333 4.189 4.503 . 0 0 "[ . 1 . 2]" 1
692 1 83 LYS HA 1 84 LYS QG 4.000 . 5.000 3.855 3.564 4.468 . 0 0 "[ . 1 . 2]" 1
693 1 83 LYS QB 1 84 LYS H 3.000 . 3.500 2.608 2.058 3.011 . 0 0 "[ . 1 . 2]" 1
694 1 83 LYS QB 1 85 ASP H 3.000 . 3.500 2.761 2.462 3.212 . 0 0 "[ . 1 . 2]" 1
695 1 83 LYS QE 1 83 LYS QG 3.000 . 3.500 2.475 2.198 2.871 . 0 0 "[ . 1 . 2]" 1
696 1 83 LYS QG 1 86 SER H 3.000 . 3.500 2.112 1.726 3.847 0.347 17 0 "[ . 1 . 2]" 1
697 1 84 LYS H 1 84 LYS HB2 3.000 . 3.500 2.727 2.419 3.627 0.127 11 0 "[ . 1 . 2]" 1
698 1 84 LYS H 1 84 LYS QB 2.000 . 2.700 2.475 2.383 2.607 . 0 0 "[ . 1 . 2]" 1
699 1 84 LYS H 1 84 LYS HB3 3.000 . 3.500 3.394 2.505 3.615 0.115 10 0 "[ . 1 . 2]" 1
700 1 84 LYS H 1 85 ASP H 4.000 . 5.000 2.680 2.528 2.829 . 0 0 "[ . 1 . 2]" 1
701 1 84 LYS H 1 86 SER H 4.000 . 5.000 4.344 4.117 4.576 . 0 0 "[ . 1 . 2]" 1
702 1 84 LYS HA 1 84 LYS QB 2.000 . 2.700 2.357 2.170 2.444 . 0 0 "[ . 1 . 2]" 1
703 1 84 LYS HA 1 84 LYS QG 3.000 . 3.500 2.737 2.401 3.524 0.024 11 0 "[ . 1 . 2]" 1
704 1 84 LYS HA 1 86 SER H 4.000 . 5.000 4.243 4.042 4.459 . 0 0 "[ . 1 . 2]" 1
705 1 84 LYS HA 1 87 VAL H 3.000 . 3.500 3.188 2.972 3.470 . 0 0 "[ . 1 . 2]" 1
706 1 84 LYS HA 1 87 VAL HB 4.000 . 5.000 2.712 2.325 3.246 . 0 0 "[ . 1 . 2]" 1
707 1 84 LYS QB 1 85 ASP H 4.000 . 5.000 2.896 2.521 3.655 . 0 0 "[ . 1 . 2]" 1
708 1 84 LYS QD 1 84 LYS QG 2.000 . 2.700 2.055 2.015 2.118 . 0 0 "[ . 1 . 2]" 1
709 1 84 LYS QE 1 84 LYS QG 3.000 . 3.500 2.453 2.184 2.831 . 0 0 "[ . 1 . 2]" 1
710 1 84 LYS QG 1 85 ASP H 4.000 . 5.000 3.817 2.318 4.376 . 0 0 "[ . 1 . 2]" 1
711 1 85 ASP H 1 85 ASP QB 3.000 . 3.500 2.362 2.216 2.607 . 0 0 "[ . 1 . 2]" 1
712 1 85 ASP H 1 86 SER H 3.000 . 3.500 2.834 2.595 2.912 . 0 0 "[ . 1 . 2]" 1
713 1 85 ASP H 1 87 VAL H 4.000 . 5.000 4.041 3.904 4.171 . 0 0 "[ . 1 . 2]" 1
714 1 85 ASP HA 1 85 ASP QB 2.000 . 2.700 2.363 2.182 2.410 . 0 0 "[ . 1 . 2]" 1
715 1 85 ASP QB 1 86 SER H 3.000 . 3.500 2.623 2.433 3.669 0.169 10 0 "[ . 1 . 2]" 1
716 1 85 ASP QB 1 86 SER HA 4.000 . 5.000 4.167 3.856 4.768 . 0 0 "[ . 1 . 2]" 1
717 1 86 SER H 1 86 SER HA 2.000 . 2.700 2.825 2.797 2.852 0.152 19 0 "[ . 1 . 2]" 1
718 1 86 SER H 1 86 SER QB 2.000 . 2.700 2.431 2.269 2.529 . 0 0 "[ . 1 . 2]" 1
719 1 86 SER H 1 87 VAL QG 4.000 . 5.000 3.799 3.565 3.945 . 0 0 "[ . 1 . 2]" 1
720 1 86 SER HA 1 87 VAL H 4.000 . 5.000 3.493 3.459 3.526 . 0 0 "[ . 1 . 2]" 1
721 1 86 SER HA 1 87 VAL QG 4.000 . 5.000 4.780 4.683 4.850 . 0 0 "[ . 1 . 2]" 1
722 1 86 SER HA 1 89 ALA H 4.000 . 5.000 3.734 3.461 4.233 . 0 0 "[ . 1 . 2]" 1
723 1 86 SER HA 1 89 ALA MB 3.000 . 3.500 2.599 2.275 3.017 . 0 0 "[ . 1 . 2]" 1
724 1 86 SER QB 1 87 VAL H 3.000 . 3.500 2.931 2.845 3.038 . 0 0 "[ . 1 . 2]" 1
725 1 87 VAL H 1 87 VAL HA 3.000 . 3.500 2.890 2.874 2.903 . 0 0 "[ . 1 . 2]" 1
726 1 87 VAL H 1 87 VAL HB 3.000 . 3.500 2.585 2.442 2.798 . 0 0 "[ . 1 . 2]" 1
727 1 87 VAL H 1 87 VAL QG 2.000 . 2.700 2.213 2.034 2.329 . 0 0 "[ . 1 . 2]" 1
728 1 87 VAL H 1 89 ALA H 3.000 . 3.500 3.772 3.728 3.836 0.336 7 0 "[ . 1 . 2]" 1
729 1 87 VAL H 1 90 HIS H 4.000 . 5.000 4.446 4.372 4.525 . 0 0 "[ . 1 . 2]" 1
730 1 87 VAL HA 1 87 VAL QG 2.000 . 2.700 2.210 2.188 2.229 . 0 0 "[ . 1 . 2]" 1
731 1 87 VAL HA 1 89 ALA H 4.000 . 5.000 4.511 4.412 4.589 . 0 0 "[ . 1 . 2]" 1
732 1 87 VAL HA 1 90 HIS H 3.000 . 3.500 3.601 3.474 3.676 0.176 2 0 "[ . 1 . 2]" 1
733 1 87 VAL HB 1 88 VAL H 3.000 . 3.500 2.549 2.463 2.684 . 0 0 "[ . 1 . 2]" 1
734 1 88 VAL H 1 88 VAL HB 3.000 . 3.500 2.492 2.440 2.582 . 0 0 "[ . 1 . 2]" 1
735 1 88 VAL H 1 88 VAL QG 2.000 . 2.700 2.242 2.169 2.305 . 0 0 "[ . 1 . 2]" 1
736 1 88 VAL H 1 89 ALA H 3.000 . 3.500 2.397 2.361 2.424 . 0 0 "[ . 1 . 2]" 1
737 1 88 VAL H 1 90 HIS H 3.000 . 3.500 3.783 3.721 3.841 0.341 2 0 "[ . 1 . 2]" 1
738 1 88 VAL H 1 91 LYS H 4.000 . 5.000 4.498 4.334 4.743 . 0 0 "[ . 1 . 2]" 1
739 1 88 VAL HA 1 88 VAL QG 2.000 . 2.700 2.195 2.178 2.207 . 0 0 "[ . 1 . 2]" 1
740 1 88 VAL HA 1 89 ALA H 4.000 . 5.000 3.519 3.502 3.534 . 0 0 "[ . 1 . 2]" 1
741 1 88 VAL HA 1 89 ALA HA 4.000 . 5.000 4.850 4.825 4.884 . 0 0 "[ . 1 . 2]" 1
742 1 88 VAL HA 1 91 LYS H 4.000 . 5.000 3.266 2.945 3.582 . 0 0 "[ . 1 . 2]" 1
743 1 88 VAL HB 1 89 ALA H 2.000 . 2.700 2.729 2.605 2.830 0.130 4 0 "[ . 1 . 2]" 1
744 1 88 VAL HB 1 89 ALA HA 4.000 . 5.000 4.431 4.328 4.555 . 0 0 "[ . 1 . 2]" 1
745 1 88 VAL QG 1 89 ALA H 3.000 . 3.500 3.301 3.235 3.352 . 0 0 "[ . 1 . 2]" 1
746 1 88 VAL QG 1 89 ALA HA 4.000 . 5.000 3.636 3.527 3.740 . 0 0 "[ . 1 . 2]" 1
747 1 88 VAL QG 1 92 ALA H 4.000 . 5.000 4.103 3.788 4.322 . 0 0 "[ . 1 . 2]" 1
748 1 88 VAL QG 1 92 ALA MB 3.000 . 3.500 3.458 3.230 3.602 0.102 12 0 "[ . 1 . 2]" 1
749 1 89 ALA H 1 89 ALA HA 2.000 . 2.700 2.847 2.833 2.860 0.160 13 0 "[ . 1 . 2]" 1
750 1 89 ALA H 1 89 ALA MB 2.000 . 2.700 2.274 2.252 2.319 . 0 0 "[ . 1 . 2]" 1
751 1 89 ALA H 1 90 HIS H 3.000 . 3.500 2.513 2.464 2.566 . 0 0 "[ . 1 . 2]" 1
752 1 89 ALA H 1 90 HIS QB 4.000 . 5.000 4.205 4.116 4.279 . 0 0 "[ . 1 . 2]" 1
753 1 89 ALA MB 1 90 HIS H 3.000 . 3.500 2.577 2.510 2.631 . 0 0 "[ . 1 . 2]" 1
754 1 89 ALA MB 1 90 HIS HA 4.000 . 5.000 3.915 3.798 4.021 . 0 0 "[ . 1 . 2]" 1
755 1 90 HIS H 1 90 HIS QB 2.000 . 2.700 2.127 2.088 2.202 . 0 0 "[ . 1 . 2]" 1
756 1 90 HIS H 1 90 HIS HD2 4.000 . 5.000 4.422 4.216 4.755 . 0 0 "[ . 1 . 2]" 1
757 1 90 HIS H 1 91 LYS H 3.000 . 3.500 2.561 2.503 2.719 . 0 0 "[ . 1 . 2]" 1
758 1 90 HIS H 1 91 LYS QB 4.000 . 5.000 4.320 4.199 4.553 . 0 0 "[ . 1 . 2]" 1
759 1 90 HIS HA 1 90 HIS QB 2.000 . 2.700 2.249 2.225 2.290 . 0 0 "[ . 1 . 2]" 1
760 1 90 HIS HA 1 93 LYS H 4.000 . 5.000 3.543 3.111 3.931 . 0 0 "[ . 1 . 2]" 1
761 1 90 HIS HA 1 93 LYS QB 3.000 . 3.500 2.739 2.023 3.287 . 0 0 "[ . 1 . 2]" 1
762 1 90 HIS HA 1 93 LYS QG 4.000 . 5.000 3.861 2.852 4.379 . 0 0 "[ . 1 . 2]" 1
763 1 90 HIS QB 1 90 HIS HD2 3.000 . 3.500 2.688 2.646 2.732 . 0 0 "[ . 1 . 2]" 1
764 1 90 HIS QB 1 91 LYS H 3.000 . 3.500 3.018 2.716 3.161 . 0 0 "[ . 1 . 2]" 1
765 1 90 HIS HD2 1 91 LYS H 3.000 . 3.500 3.513 3.302 3.592 0.092 6 0 "[ . 1 . 2]" 1
766 1 90 HIS HD2 1 91 LYS HA 3.000 . 3.500 3.466 3.123 3.637 0.137 5 0 "[ . 1 . 2]" 1
767 1 90 HIS HD2 1 91 LYS QB 3.000 . 3.500 3.349 2.966 3.610 0.110 20 0 "[ . 1 . 2]" 1
768 1 90 HIS HD2 1 95 HIS HD2 4.000 . 5.000 3.761 3.429 4.029 . 0 0 "[ . 1 . 2]" 1
769 1 91 LYS H 1 91 LYS QB 2.000 . 2.700 2.284 2.239 2.337 . 0 0 "[ . 1 . 2]" 1
770 1 91 LYS H 1 92 ALA H 3.000 . 3.500 2.446 2.382 2.547 . 0 0 "[ . 1 . 2]" 1
771 1 91 LYS H 1 93 LYS H 3.000 . 3.500 3.783 3.683 3.898 0.398 8 0 "[ . 1 . 2]" 1
772 1 91 LYS H 1 94 SER H 4.000 . 5.000 4.659 4.578 4.788 . 0 0 "[ . 1 . 2]" 1
773 1 91 LYS H 1 95 HIS HD2 4.000 . 5.000 4.717 4.479 4.928 . 0 0 "[ . 1 . 2]" 1
774 1 91 LYS HA 1 91 LYS QB 2.000 . 2.700 2.394 2.341 2.422 . 0 0 "[ . 1 . 2]" 1
775 1 91 LYS HA 1 91 LYS HG2 4.000 . 5.000 2.981 2.413 3.282 . 0 0 "[ . 1 . 2]" 1
776 1 91 LYS HA 1 91 LYS HG3 3.000 . 3.500 2.808 2.556 3.634 0.134 15 0 "[ . 1 . 2]" 1
777 1 91 LYS HA 1 92 ALA H 3.000 . 3.500 3.513 3.489 3.559 0.059 6 0 "[ . 1 . 2]" 1
778 1 91 LYS HA 1 93 LYS H 4.000 . 5.000 3.973 3.868 4.091 . 0 0 "[ . 1 . 2]" 1
779 1 91 LYS HA 1 94 SER H 3.000 . 3.500 3.634 3.508 3.786 0.286 9 0 "[ . 1 . 2]" 1
780 1 91 LYS HA 1 95 HIS H 4.000 . 5.000 3.484 3.266 3.723 . 0 0 "[ . 1 . 2]" 1
781 1 91 LYS HA 1 95 HIS QB 3.000 . 3.500 3.017 2.597 3.451 . 0 0 "[ . 1 . 2]" 1
782 1 91 LYS HA 1 95 HIS HD2 2.000 . 2.700 2.104 1.984 2.250 . 0 0 "[ . 1 . 2]" 1
783 1 91 LYS QB 1 91 LYS QE 4.000 . 5.000 2.609 1.894 3.760 . 0 0 "[ . 1 . 2]" 1
784 1 91 LYS QB 1 92 ALA H 3.000 . 3.500 2.586 2.475 2.717 . 0 0 "[ . 1 . 2]" 1
785 1 91 LYS QB 1 95 HIS HD2 3.000 . 3.500 3.320 3.089 3.539 0.039 18 0 "[ . 1 . 2]" 1
786 1 91 LYS QE 1 91 LYS HG3 3.000 . 3.500 2.841 2.455 3.555 0.055 19 0 "[ . 1 . 2]" 1
787 1 91 LYS HG2 1 92 ALA HA 4.000 . 5.000 4.171 3.472 5.213 0.213 3 0 "[ . 1 . 2]" 1
788 1 91 LYS HG3 1 95 HIS QB 4.000 . 5.000 3.042 2.475 4.174 . 0 0 "[ . 1 . 2]" 1
789 1 92 ALA H 1 92 ALA HA 2.000 . 2.700 2.819 2.778 2.850 0.150 19 0 "[ . 1 . 2]" 1
790 1 92 ALA H 1 92 ALA MB 2.000 . 2.700 2.235 2.203 2.256 . 0 0 "[ . 1 . 2]" 1
791 1 92 ALA H 1 93 LYS H 3.000 . 3.500 2.620 2.542 2.742 . 0 0 "[ . 1 . 2]" 1
792 1 92 ALA H 1 94 SER H 4.000 . 5.000 4.356 4.279 4.473 . 0 0 "[ . 1 . 2]" 1
793 1 93 LYS H 1 93 LYS QB 2.000 . 2.700 2.356 2.112 2.644 . 0 0 "[ . 1 . 2]" 1
794 1 93 LYS H 1 93 LYS QG 3.000 . 3.500 3.132 2.358 3.940 0.440 20 0 "[ . 1 . 2]" 1
795 1 93 LYS H 1 94 SER H 2.000 . 2.700 2.296 2.150 2.445 . 0 0 "[ . 1 . 2]" 1
796 1 93 LYS H 1 95 HIS H 3.000 . 3.500 3.548 3.460 3.634 0.134 6 0 "[ . 1 . 2]" 1
797 1 93 LYS HA 1 93 LYS QB 2.000 . 2.700 2.367 2.288 2.484 . 0 0 "[ . 1 . 2]" 1
798 1 93 LYS HA 1 93 LYS QG 3.000 . 3.500 2.638 2.383 3.169 . 0 0 "[ . 1 . 2]" 1
799 1 93 LYS QB 1 93 LYS QG 2.000 . 2.700 2.083 1.994 2.113 . 0 0 "[ . 1 . 2]" 1
800 1 93 LYS QB 1 94 SER H 2.000 . 2.700 2.554 2.387 2.674 . 0 0 "[ . 1 . 2]" 1
801 1 93 LYS QB 1 94 SER HA 4.000 . 5.000 4.033 3.732 4.428 . 0 0 "[ . 1 . 2]" 1
802 1 93 LYS QE 1 93 LYS QG 3.000 . 3.500 2.356 2.179 2.819 . 0 0 "[ . 1 . 2]" 1
803 1 94 SER H 1 94 SER HA 2.000 . 2.700 2.898 2.867 2.926 0.226 17 0 "[ . 1 . 2]" 1
804 1 94 SER H 1 94 SER HB2 3.000 . 3.500 2.790 2.680 2.898 . 0 0 "[ . 1 . 2]" 1
805 1 94 SER H 1 94 SER HB3 3.000 . 3.500 2.496 2.402 2.586 . 0 0 "[ . 1 . 2]" 1
806 1 94 SER H 1 95 HIS H 2.000 . 2.700 2.285 2.139 2.408 . 0 0 "[ . 1 . 2]" 1
807 1 94 SER HA 1 94 SER HB2 3.000 . 3.500 2.475 2.441 2.504 . 0 0 "[ . 1 . 2]" 1
808 1 94 SER HA 1 95 HIS H 3.000 . 3.500 3.419 3.291 3.508 0.008 3 0 "[ . 1 . 2]" 1
809 1 94 SER HB2 1 95 HIS H 4.000 . 5.000 4.277 4.132 4.371 . 0 0 "[ . 1 . 2]" 1
810 1 94 SER HB3 1 95 HIS H 3.000 . 3.500 3.304 3.013 3.536 0.036 17 0 "[ . 1 . 2]" 1
811 1 95 HIS H 1 95 HIS HA 3.000 . 3.500 2.958 2.941 2.975 . 0 0 "[ . 1 . 2]" 1
812 1 95 HIS H 1 95 HIS HD2 4.000 . 5.000 4.166 3.782 4.493 . 0 0 "[ . 1 . 2]" 1
813 1 95 HIS H 1 96 PRO HD2 3.000 . 3.500 3.562 3.398 3.727 0.227 4 0 "[ . 1 . 2]" 1
814 1 95 HIS H 1 96 PRO HD3 2.000 . 2.700 2.555 2.175 2.809 0.109 1 0 "[ . 1 . 2]" 1
815 1 95 HIS H 1 97 GLU H 4.000 . 6.000 5.248 4.950 5.559 . 0 0 "[ . 1 . 2]" 1
816 1 95 HIS HA 1 95 HIS QB 2.000 . 2.700 2.338 2.279 2.386 . 0 0 "[ . 1 . 2]" 1
817 1 95 HIS HA 1 96 PRO HD2 3.000 . 3.500 2.714 2.373 3.294 . 0 0 "[ . 1 . 2]" 1
818 1 95 HIS HA 1 96 PRO HD3 3.000 . 3.500 3.369 3.121 3.575 0.075 15 0 "[ . 1 . 2]" 1
819 1 95 HIS HA 1 97 GLU H 4.000 . 5.000 3.519 3.012 3.969 . 0 0 "[ . 1 . 2]" 1
820 1 95 HIS QB 1 95 HIS HD2 3.000 . 3.500 2.585 2.555 2.627 . 0 0 "[ . 1 . 2]" 1
821 1 95 HIS QB 1 97 GLU H 4.000 . 5.000 4.504 3.848 4.980 . 0 0 "[ . 1 . 2]" 1
822 1 96 PRO HD2 1 97 GLU H 3.000 . 3.500 2.754 2.417 3.282 . 0 0 "[ . 1 . 2]" 1
823 1 96 PRO HD3 1 97 GLU H 4.000 . 5.000 3.956 3.720 4.321 . 0 0 "[ . 1 . 2]" 1
824 1 97 GLU H 1 97 GLU HA 2.000 . 2.700 2.913 2.900 2.930 0.230 7 0 "[ . 1 . 2]" 1
825 1 97 GLU H 1 97 GLU QB 2.000 . 2.700 2.568 2.391 2.753 0.053 16 0 "[ . 1 . 2]" 1
826 1 97 GLU H 1 98 VAL H 3.000 . 3.500 3.765 3.614 3.869 0.369 15 0 "[ . 1 . 2]" 1
827 1 97 GLU HA 1 97 GLU QB 2.000 . 2.700 2.392 2.343 2.444 . 0 0 "[ . 1 . 2]" 1
828 1 97 GLU HA 1 98 VAL H 2.000 . 2.700 2.186 2.132 2.237 . 0 0 "[ . 1 . 2]" 1
829 1 98 VAL H 1 98 VAL HA 3.000 . 3.500 2.908 2.762 2.970 . 0 0 "[ . 1 . 2]" 1
830 1 98 VAL H 1 98 VAL HB 3.000 . 3.500 2.932 2.472 3.628 0.128 17 0 "[ . 1 . 2]" 1
831 1 98 VAL H 1 98 VAL QG 3.000 . 3.500 2.272 1.852 2.818 . 0 0 "[ . 1 . 2]" 1
832 1 98 VAL HA 1 98 VAL MG1 3.000 . 3.500 2.921 2.429 3.291 . 0 0 "[ . 1 . 2]" 1
833 1 98 VAL HA 1 98 VAL QG 3.000 . 3.500 2.321 2.183 2.467 . 0 0 "[ . 1 . 2]" 1
834 1 98 VAL HA 1 98 VAL MG2 3.000 . 3.500 2.475 2.354 2.552 . 0 0 "[ . 1 . 2]" 1
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