NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392511 |
1pzq   |
5885 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pzq
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 975
_Distance_constraint_stats_list.Viol_count 2145
_Distance_constraint_stats_list.Viol_total 75292.594
_Distance_constraint_stats_list.Viol_max 21.225
_Distance_constraint_stats_list.Viol_rms 3.5305
_Distance_constraint_stats_list.Viol_average_all_restraints 1.2066
_Distance_constraint_stats_list.Viol_average_violations_only 4.3877
_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 5 SER 0.000 0.000 . 0 "[ . ]"
1 6 PRO 0.000 0.000 . 0 "[ . ]"
1 7 ALA 1.445 0.161 1 0 "[ . ]"
1 8 VAL 58.722 7.620 1 8 [+-******]
1 9 ASP 2.242 0.338 5 0 "[ . ]"
1 10 ILE 1424.852 15.865 2 8 [*+*-****]
1 11 GLY 127.239 8.975 2 8 [-+******]
1 12 ASP 0.000 0.000 . 0 "[ . ]"
1 13 ARG 112.803 5.856 2 8 [*+**-***]
1 14 LEU 208.742 4.873 2 8 [*+*****-]
1 15 ASP 0.240 0.106 5 0 "[ . ]"
1 16 GLU 22.057 3.149 2 8 [*+**-***]
1 17 LEU 80.061 3.713 2 8 [*+*****-]
1 18 GLU 82.518 5.162 1 8 [+******-]
1 19 LYS 29.339 4.084 1 8 [+******-]
1 20 ALA 323.954 8.582 2 8 [*+*-****]
1 21 LEU 1525.863 16.325 4 8 [***+*-**]
1 22 GLU 74.071 9.555 2 8 [*+-*****]
1 23 ALA 1.909 0.179 4 0 "[ . ]"
1 24 LEU 1025.604 21.157 3 8 [**+*****]
1 25 SER 886.744 20.450 4 8 [***+*-**]
1 26 ALA 594.746 21.225 4 8 [-**+****]
1 27 GLU 1.350 0.145 4 0 "[ . ]"
1 28 ASP 1.416 0.145 4 0 "[ . ]"
1 29 GLY 0.399 0.056 4 0 "[ . ]"
1 30 HIS 543.389 20.771 2 8 [-+******]
1 31 ASP 143.948 17.959 4 8 [**-+****]
1 32 ASP 0.000 0.000 . 0 "[ . ]"
1 33 VAL 1293.334 15.250 2 8 [*+*****-]
1 34 GLY 488.117 14.865 2 8 [-+******]
1 35 GLN 0.120 0.031 8 0 "[ . ]"
1 36 ARG 234.470 8.975 2 8 [*+******]
1 37 LEU 322.600 6.919 3 8 [**+**-**]
1 38 GLU 34.072 1.834 2 8 [-+******]
1 39 SER 0.215 0.037 3 0 "[ . ]"
1 40 LEU 158.173 5.162 1 8 [+****-**]
1 41 LEU 119.719 2.484 2 8 [*+***-**]
1 42 ARG 0.000 0.000 . 0 "[ . ]"
1 43 ARG 0.645 0.083 5 0 "[ . ]"
1 44 TRP 5044.972 21.225 4 8 [***+-***]
1 45 ASN 54.731 4.821 2 8 [*+*****-]
1 46 SER 0.548 0.059 1 0 "[ . ]"
1 47 ARG 279.176 17.776 1 8 [+****-**]
1 48 ARG 118.297 15.984 3 8 [-*+*****]
1 49 ALA 0.186 0.026 7 0 "[ . ]"
1 50 ASP 0.000 0.000 . 0 "[ . ]"
1 51 ALA 0.342 0.063 2 0 "[ . ]"
1 52 PRO 0.106 0.056 8 0 "[ . ]"
1 53 SER 0.096 0.056 8 0 "[ . ]"
1 57 ILE 0.166 0.163 8 0 "[ . ]"
1 59 GLU 0.000 0.000 . 0 "[ . ]"
1 60 ASP 0.000 0.000 . 0 "[ . ]"
2 2 SER 11.339 1.850 3 7 "[**+ ***-]"
2 3 ALA 7.239 1.165 5 7 "[*** +**-]"
2 4 ALA 88.827 6.484 5 8 [****+-**]
2 5 SER 2.834 0.562 1 4 "[+ - * * ]"
2 6 PRO 0.000 0.000 . 0 "[ . ]"
2 7 ALA 445.111 14.933 5 8 [****+-**]
2 8 VAL 55.800 3.663 2 8 [-+******]
2 9 ASP 134.661 14.452 5 8 [-***+***]
2 10 ILE 216.457 15.388 2 8 [*+*****-]
2 11 GLY 141.178 16.058 5 8 [**-*+***]
2 12 ASP 10.082 1.306 2 8 [*+-*****]
2 13 ARG 7.741 0.596 2 2 "[ + . -]"
2 14 LEU 53.318 3.845 5 8 [***-+***]
2 15 ASP 0.546 0.250 8 0 "[ . ]"
2 16 GLU 0.000 0.000 . 0 "[ . ]"
2 17 LEU 17.716 1.721 1 8 [+*-*****]
2 18 GLU 28.494 1.721 1 8 [+*-*****]
2 19 LYS 2.332 0.347 6 0 "[ . ]"
2 20 ALA 1.770 0.347 6 0 "[ . ]"
2 21 LEU 2.847 0.379 4 0 "[ . ]"
2 23 ALA 8.439 0.762 6 8 [-****+**]
2 24 LEU 5.923 0.762 6 8 [-****+**]
2 25 SER 0.000 0.000 . 0 "[ . ]"
2 26 ALA 0.000 0.000 . 0 "[ . ]"
2 27 GLU 6.055 0.737 5 8 [***-+***]
2 28 ASP 19.731 1.767 2 8 [*+*-****]
2 29 GLY 0.000 0.000 . 0 "[ . ]"
2 30 HIS 0.000 0.000 . 0 "[ . ]"
2 31 ASP 13.233 1.767 2 8 [*+*-****]
2 32 ASP 12.489 1.502 7 7 "[***-**+ ]"
2 33 VAL 0.457 0.182 1 0 "[ . ]"
2 34 GLY 13.783 2.092 2 8 [*+*****-]
2 35 GLN 11.677 1.552 8 6 "[ *-*.**+]"
2 36 ARG 773.283 16.058 5 8 [**-*+***]
2 37 LEU 32.691 1.508 3 8 [*-+*****]
2 38 GLU 0.658 0.106 1 0 "[ . ]"
2 39 SER 0.779 0.582 1 1 "[+ . ]"
2 40 LEU 24.211 2.483 1 8 [+-******]
2 41 LEU 5.781 1.369 5 5 "[ - +***]"
2 42 ARG 134.972 14.452 5 8 [***-+***]
2 43 ARG 124.807 3.845 5 8 [-***+***]
2 44 TRP 91.167 3.580 2 8 [*+***-**]
2 45 ASN 16.541 1.431 2 8 [*+*-****]
2 46 SER 6.344 1.338 8 3 "[* . -+]"
2 47 ARG 34.006 1.149 2 8 [*+-*****]
2 48 ARG 26.593 2.732 2 8 [*+***-**]
2 49 ALA 70.852 4.699 4 8 [***+*-**]
2 50 ASP 11.299 0.674 3 7 "[-*+** **]"
2 51 ALA 106.450 7.629 5 8 [-***+***]
2 52 PRO 79.429 4.699 4 8 [***+*-**]
2 53 SER 44.420 3.876 6 8 [***-*+**]
2 54 THR 219.439 8.167 1 8 [+**-****]
2 55 SER 109.710 7.162 2 8 [*+****-*]
2 56 ALA 14.055 3.876 6 5 "[ * **+ -]"
2 57 ILE 0.099 0.050 7 0 "[ . ]"
2 58 SER 86.172 8.167 1 8 [+*****-*]
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 ILE MD 1 22 GLU H 5.000 . 5.000 14.259 14.103 14.555 9.555 2 8 [*+-*****] 1
2 1 33 VAL HB 1 44 TRP HE1 5.000 . 5.000 18.408 18.318 18.493 13.493 2 8 [-+******] 1
3 1 33 VAL QG 1 44 TRP HE1 5.000 . 5.000 13.236 13.170 13.306 8.306 3 8 [-*+*****] 1
4 1 34 GLY QA 1 44 TRP HE1 5.000 . 5.000 14.040 13.942 14.148 9.148 2 8 [-+******] 1
5 1 34 GLY H 1 44 TRP HE1 5.000 . 5.000 17.842 17.739 17.948 12.948 2 8 [-+******] 1
6 1 18 GLU H 1 40 LEU QD 5.000 . 5.000 6.893 6.643 7.269 2.269 1 8 [+******-] 1
7 1 37 LEU H 1 41 LEU QD 5.000 . 5.000 7.021 6.929 7.140 2.140 2 8 [-+******] 1
8 1 38 GLU H 1 41 LEU QD 5.000 . 5.000 5.702 5.588 5.841 0.841 2 8 [-+******] 1
9 1 41 LEU QD 1 42 ARG H 5.000 . 5.000 3.871 3.822 3.898 . 0 0 "[ . ]" 1
10 1 24 LEU H 1 44 TRP HH2 5.000 . 5.000 23.877 23.802 23.937 18.937 4 8 [***+-***] 1
11 1 25 SER H 1 44 TRP HH2 5.000 . 5.000 25.281 25.112 25.450 20.450 4 8 [***+*-**] 1
12 2 44 TRP H 2 44 TRP QB . . 3.500 2.226 2.218 2.237 . 0 0 "[ . ]" 1
13 2 51 ALA H 2 54 THR HG1 5.000 . 5.000 9.322 5.550 12.629 7.629 5 8 [****+**-] 1
14 2 54 THR H 2 55 SER QB 5.000 . 5.000 5.011 3.742 6.374 1.374 5 2 "[ - + ]" 1
15 1 5 SER QB 1 8 VAL HB 5.000 . 5.000 4.370 3.294 4.568 . 0 0 "[ . ]" 1
16 1 6 PRO HA 1 6 PRO HB3 2.800 . 2.800 2.253 2.242 2.262 . 0 0 "[ . ]" 1
17 1 7 ALA HA 1 8 VAL QG 5.000 . 5.000 4.150 3.990 4.439 . 0 0 "[ . ]" 1
18 1 7 ALA HA 1 10 ILE HB 5.000 . 5.000 3.116 3.068 3.177 . 0 0 "[ . ]" 1
19 1 7 ALA HA 1 10 ILE MG 5.000 . 5.000 4.626 4.597 4.675 . 0 0 "[ . ]" 1
20 1 6 PRO HA 1 7 ALA MB 5.000 . 5.000 4.247 4.140 4.400 . 0 0 "[ . ]" 1
21 1 6 PRO HB3 1 7 ALA MB 5.000 . 5.000 4.351 4.270 4.453 . 0 0 "[ . ]" 1
22 1 7 ALA MB 1 8 VAL HA 5.000 . 5.000 4.202 4.167 4.239 . 0 0 "[ . ]" 1
23 1 6 PRO HA 1 7 ALA H . . 2.800 2.426 2.250 2.689 . 0 0 "[ . ]" 1
24 1 6 PRO HB3 1 7 ALA H 5.000 . 5.000 3.031 2.583 3.417 . 0 0 "[ . ]" 1
25 1 7 ALA H 1 7 ALA MB . . 2.800 2.826 2.737 2.880 0.080 4 0 "[ . ]" 1
26 1 8 VAL HA 1 8 VAL QG 2.800 . 2.800 2.310 2.140 2.347 . 0 0 "[ . ]" 1
27 1 8 VAL HA 1 9 ASP QB 5.000 . 5.000 4.189 3.949 4.298 . 0 0 "[ . ]" 1
28 1 8 VAL HA 1 12 ASP QB 5.000 . 5.000 4.503 4.433 4.557 . 0 0 "[ . ]" 1
29 1 8 VAL HB 1 12 ASP QB 5.000 . 5.000 4.041 2.850 4.369 . 0 0 "[ . ]" 1
30 1 6 PRO HA 1 8 VAL QG 5.000 . 5.000 3.734 3.634 3.866 . 0 0 "[ . ]" 1
31 1 8 VAL QG 1 9 ASP HA 5.000 . 5.000 4.496 4.472 4.602 . 0 0 "[ . ]" 1
32 1 8 VAL QG 1 9 ASP QB 5.000 . 5.000 3.130 3.040 3.200 . 0 0 "[ . ]" 1
33 1 8 VAL QG 1 13 ARG QD 5.000 . 5.000 2.649 2.071 3.477 . 0 0 "[ . ]" 1
34 1 6 PRO HA 1 8 VAL H 5.000 . 5.000 3.469 3.407 3.539 . 0 0 "[ . ]" 1
35 1 7 ALA HA 1 8 VAL H 2.800 . 2.800 2.746 2.711 2.784 . 0 0 "[ . ]" 1
36 1 8 VAL H 1 8 VAL HA 2.800 . 2.800 2.857 2.849 2.866 0.066 5 0 "[ . ]" 1
37 1 8 VAL H 1 8 VAL HB . . 2.800 2.678 2.502 2.720 . 0 0 "[ . ]" 1
38 1 8 VAL H 1 8 VAL QG . . 2.800 2.154 1.863 2.454 . 0 0 "[ . ]" 1
39 1 8 VAL H 1 10 ILE MD 5.000 . 5.000 3.347 3.129 3.486 . 0 0 "[ . ]" 1
40 1 8 VAL HA 1 9 ASP HA 5.000 . 5.000 4.530 4.508 4.541 . 0 0 "[ . ]" 1
41 1 9 ASP HA 1 9 ASP QB 2.800 . 2.800 2.389 2.383 2.405 . 0 0 "[ . ]" 1
42 1 9 ASP HA 1 10 ILE HB 5.000 . 5.000 4.153 4.113 4.190 . 0 0 "[ . ]" 1
43 1 9 ASP QB 1 10 ILE MG 5.000 . 5.000 4.265 4.147 4.488 . 0 0 "[ . ]" 1
44 1 8 VAL HA 1 9 ASP H 2.800 . 2.800 2.512 2.435 2.541 . 0 0 "[ . ]" 1
45 1 8 VAL HB 1 9 ASP H 5.000 . 5.000 4.549 4.416 4.578 . 0 0 "[ . ]" 1
46 1 8 VAL QG 1 9 ASP H . . 3.500 3.462 3.441 3.492 . 0 0 "[ . ]" 1
47 1 9 ASP H 1 9 ASP QB 3.500 . 3.500 3.310 3.112 3.390 . 0 0 "[ . ]" 1
48 1 9 ASP H 1 10 ILE MD 5.000 . 5.000 4.591 4.533 4.664 . 0 0 "[ . ]" 1
49 1 10 ILE HA 1 10 ILE HB . . 2.800 2.581 2.560 2.625 . 0 0 "[ . ]" 1
50 1 10 ILE HA 1 10 ILE MD 2.800 . 2.800 1.669 1.589 1.718 . 0 0 "[ . ]" 1
51 1 10 ILE HA 1 10 ILE MG 3.500 . 3.500 3.124 3.115 3.135 . 0 0 "[ . ]" 1
52 1 10 ILE HA 1 33 VAL QG 5.000 . 5.000 12.551 12.450 12.775 7.775 2 8 [*+*-****] 1
53 1 10 ILE HB 1 10 ILE MD 2.800 . 2.800 2.400 2.366 2.426 . 0 0 "[ . ]" 1
54 1 6 PRO HB3 1 10 ILE MD 5.000 . 5.000 4.597 4.481 4.702 . 0 0 "[ . ]" 1
55 1 6 PRO HB2 1 10 ILE MD 5.000 . 5.000 4.588 4.547 4.698 . 0 0 "[ . ]" 1
56 1 7 ALA HA 1 10 ILE MD 5.000 . 5.000 2.027 1.742 2.094 . 0 0 "[ . ]" 1
57 1 7 ALA MB 1 10 ILE MD 3.500 . 3.500 3.199 3.006 3.276 . 0 0 "[ . ]" 1
58 1 10 ILE MD 1 13 ARG QD 3.500 . 3.500 2.463 1.820 2.981 . 0 0 "[ . ]" 1
59 1 10 ILE QG 1 10 ILE MG . . 2.800 2.093 2.078 2.112 . 0 0 "[ . ]" 1
60 1 10 ILE QG 1 21 LEU QD 5.000 . 5.000 9.841 9.742 10.038 5.038 2 8 [*+*-****] 1
61 1 10 ILE QG 1 33 VAL HA 5.000 . 5.000 14.554 14.375 14.891 9.891 2 8 [*+*-****] 1
62 1 10 ILE QG 1 14 LEU QD 3.500 . 3.500 2.340 1.998 2.585 . 0 0 "[ . ]" 1
63 1 10 ILE QG 1 33 VAL QG 5.000 . 5.000 10.871 10.730 11.111 6.111 2 8 [*+*-****] 1
64 1 10 ILE MG 1 11 GLY QA 5.000 . 5.000 2.783 2.664 2.862 . 0 0 "[ . ]" 1
65 1 8 VAL HA 1 10 ILE H 5.000 . 5.000 3.685 3.615 3.714 . 0 0 "[ . ]" 1
66 1 8 VAL QG 1 10 ILE H 5.000 . 5.000 2.907 2.654 3.822 . 0 0 "[ . ]" 1
67 1 9 ASP QB 1 10 ILE H . . 3.500 3.411 3.324 3.505 0.005 2 0 "[ . ]" 1
68 1 10 ILE H 1 10 ILE HB . . 2.800 2.837 2.751 2.888 0.088 5 0 "[ . ]" 1
69 1 10 ILE H 1 10 ILE MD . . 3.500 3.169 3.047 3.218 . 0 0 "[ . ]" 1
70 1 10 ILE H 1 10 ILE QG 5.000 . 5.000 4.189 4.127 4.208 . 0 0 "[ . ]" 1
71 1 11 GLY QA 1 12 ASP HA 5.000 . 5.000 4.008 3.997 4.020 . 0 0 "[ . ]" 1
72 1 11 GLY QA 1 14 LEU QB 5.000 . 5.000 1.932 1.838 2.024 . 0 0 "[ . ]" 1
73 1 11 GLY QA 1 14 LEU QD 5.000 . 5.000 1.770 1.696 1.888 . 0 0 "[ . ]" 1
74 1 11 GLY QA 1 14 LEU HG 5.000 . 5.000 3.743 3.668 3.790 . 0 0 "[ . ]" 1
75 1 11 GLY H 1 11 GLY QA . . 2.800 2.208 2.196 2.221 . 0 0 "[ . ]" 1
76 1 11 GLY H 1 12 ASP QB 5.000 . 5.000 4.321 4.113 4.542 . 0 0 "[ . ]" 1
77 1 12 ASP HA 1 12 ASP QB . . 2.800 2.391 2.336 2.435 . 0 0 "[ . ]" 1
78 1 12 ASP HA 1 15 ASP HB2 3.500 . 3.500 3.202 3.152 3.254 . 0 0 "[ . ]" 1
79 1 8 VAL QG 1 12 ASP QB 3.500 . 3.500 1.869 1.680 2.453 . 0 0 "[ . ]" 1
80 1 10 ILE HA 1 12 ASP QB 5.000 . 5.000 4.124 4.051 4.172 . 0 0 "[ . ]" 1
81 1 12 ASP QB 1 13 ARG QB 5.000 . 5.000 4.330 4.247 4.405 . 0 0 "[ . ]" 1
82 1 12 ASP QB 1 13 ARG QG 3.500 . 3.500 3.017 2.939 3.103 . 0 0 "[ . ]" 1
83 1 8 VAL QG 1 12 ASP H 5.000 . 5.000 3.427 3.160 4.388 . 0 0 "[ . ]" 1
84 1 9 ASP QB 1 12 ASP H 5.000 . 5.000 3.234 3.125 3.327 . 0 0 "[ . ]" 1
85 1 10 ILE HA 1 12 ASP H 5.000 . 5.000 3.563 3.508 3.608 . 0 0 "[ . ]" 1
86 1 10 ILE MD 1 12 ASP H 5.000 . 5.000 4.760 4.724 4.840 . 0 0 "[ . ]" 1
87 1 10 ILE MG 1 12 ASP H 5.000 . 5.000 3.738 3.673 3.800 . 0 0 "[ . ]" 1
88 1 11 GLY QA 1 12 ASP H . . 3.500 2.854 2.840 2.866 . 0 0 "[ . ]" 1
89 1 12 ASP H 1 12 ASP QB . . 2.800 2.217 2.199 2.233 . 0 0 "[ . ]" 1
90 1 13 ARG HA 1 13 ARG QG 3.500 . 3.500 2.553 2.278 2.862 . 0 0 "[ . ]" 1
91 1 13 ARG QB 1 13 ARG QD 3.500 . 3.500 2.278 2.103 2.672 . 0 0 "[ . ]" 1
92 1 13 ARG QB 1 17 LEU HA 3.500 . 3.500 6.275 5.959 6.654 3.154 5 8 [***-+***] 1
93 1 10 ILE HA 1 13 ARG QD 5.000 . 5.000 3.255 2.593 3.726 . 0 0 "[ . ]" 1
94 1 13 ARG QD 1 17 LEU HA 5.000 . 5.000 8.230 7.890 8.713 3.713 2 8 [*+*-****] 1
95 1 13 ARG QD 1 20 ALA MB . . 3.500 8.868 8.636 9.356 5.856 2 8 [*+*-****] 1
96 1 10 ILE HA 1 13 ARG QG 5.000 . 5.000 2.531 1.947 3.107 . 0 0 "[ . ]" 1
97 1 10 ILE MD 1 13 ARG QG 3.500 . 3.500 2.450 1.423 3.234 . 0 0 "[ . ]" 1
98 1 8 VAL QG 1 13 ARG H 5.000 . 5.000 3.006 2.723 4.344 . 0 0 "[ . ]" 1
99 1 10 ILE HA 1 13 ARG H . . 3.500 3.261 3.060 3.411 . 0 0 "[ . ]" 1
100 1 10 ILE MD 1 13 ARG H 5.000 . 5.000 4.026 3.875 4.276 . 0 0 "[ . ]" 1
101 1 10 ILE MG 1 13 ARG H 5.000 . 5.000 4.625 4.553 4.700 . 0 0 "[ . ]" 1
102 1 11 GLY QA 1 13 ARG H 5.000 . 5.000 3.770 3.704 3.831 . 0 0 "[ . ]" 1
103 1 12 ASP HA 1 13 ARG H 5.000 . 5.000 3.463 3.447 3.487 . 0 0 "[ . ]" 1
104 1 12 ASP QB 1 13 ARG H . . 3.500 2.546 2.486 2.642 . 0 0 "[ . ]" 1
105 1 13 ARG H 1 13 ARG QB 3.500 . 3.500 2.304 2.209 2.372 . 0 0 "[ . ]" 1
106 1 13 ARG H 1 13 ARG QD 5.000 . 5.000 3.842 3.705 4.054 . 0 0 "[ . ]" 1
107 1 13 ARG H 1 13 ARG QG . . 2.800 2.048 1.878 2.216 . 0 0 "[ . ]" 1
108 1 13 ARG H 1 14 LEU QB 5.000 . 5.000 3.869 3.789 3.955 . 0 0 "[ . ]" 1
109 1 14 LEU HA 1 14 LEU QD 2.800 . 2.800 2.501 2.471 2.542 . 0 0 "[ . ]" 1
110 1 14 LEU HA 1 14 LEU HG 2.800 . 2.800 2.473 2.424 2.526 . 0 0 "[ . ]" 1
111 1 14 LEU QB 1 15 ASP HB2 5.000 . 5.000 3.808 3.784 3.861 . 0 0 "[ . ]" 1
112 1 14 LEU QB 1 14 LEU QD 2.800 . 2.800 1.836 1.815 1.856 . 0 0 "[ . ]" 1
113 1 14 LEU QD 1 37 LEU QB 2.800 . 2.800 6.267 6.129 6.397 3.597 2 8 [*+-*****] 1
114 1 13 ARG QB 1 14 LEU QD 3.500 . 3.500 3.162 3.088 3.237 . 0 0 "[ . ]" 1
115 1 14 LEU QD 1 36 ARG QD 5.000 . 5.000 8.990 8.783 9.162 4.162 5 8 [*-**+***] 1
116 1 14 LEU QD 1 36 ARG QB . . 2.800 7.504 7.377 7.563 4.763 5 8 [-***+***] 1
117 1 13 ARG QB 1 14 LEU H 3.500 . 3.500 2.073 1.983 2.213 . 0 0 "[ . ]" 1
118 1 14 LEU H 1 14 LEU HA . . 2.800 2.769 2.732 2.790 . 0 0 "[ . ]" 1
119 1 14 LEU H 1 14 LEU QB 3.500 . 3.500 2.031 1.994 2.059 . 0 0 "[ . ]" 1
120 1 14 LEU H 1 14 LEU QD . . 2.800 2.697 2.608 2.757 . 0 0 "[ . ]" 1
121 1 14 LEU H 1 14 LEU HG 2.800 . 2.800 2.490 2.421 2.557 . 0 0 "[ . ]" 1
122 1 14 LEU QB 1 15 ASP HA 5.000 . 5.000 3.706 3.668 3.751 . 0 0 "[ . ]" 1
123 1 15 ASP HB3 1 16 GLU HA 5.000 . 5.000 3.994 3.927 4.047 . 0 0 "[ . ]" 1
124 1 12 ASP HA 1 15 ASP H 5.000 . 5.000 3.578 3.466 3.688 . 0 0 "[ . ]" 1
125 1 14 LEU QB 1 15 ASP H . . 3.500 2.172 2.110 2.221 . 0 0 "[ . ]" 1
126 1 14 LEU QD 1 15 ASP H 5.000 . 5.000 3.712 3.673 3.743 . 0 0 "[ . ]" 1
127 1 15 ASP H 1 15 ASP HA . . 2.800 2.752 2.733 2.775 . 0 0 "[ . ]" 1
128 1 15 ASP H 1 15 ASP HB2 . . 2.800 2.264 2.209 2.313 . 0 0 "[ . ]" 1
129 1 15 ASP H 1 15 ASP HB3 . . 2.800 2.763 2.716 2.812 0.012 8 0 "[ . ]" 1
130 1 16 GLU HA 1 16 GLU HG2 2.800 . 2.800 2.505 2.476 2.522 . 0 0 "[ . ]" 1
131 1 13 ARG QD 1 16 GLU QB 3.500 . 3.500 6.227 5.894 6.649 3.149 2 8 [*+**-***] 1
132 1 16 GLU HA 1 16 GLU QB 2.800 . 2.800 2.355 2.348 2.363 . 0 0 "[ . ]" 1
133 1 16 GLU HB3 1 20 ALA MB 5.000 . 5.000 4.264 4.172 4.397 . 0 0 "[ . ]" 1
134 1 16 GLU HA 1 16 GLU HG3 3.500 . 3.500 3.148 3.128 3.182 . 0 0 "[ . ]" 1
135 1 16 GLU QB 1 16 GLU HG3 2.800 . 2.800 2.313 2.293 2.322 . 0 0 "[ . ]" 1
136 1 12 ASP HA 1 16 GLU H 5.000 . 5.000 3.982 3.632 4.269 . 0 0 "[ . ]" 1
137 1 14 LEU QB 1 16 GLU H 5.000 . 5.000 4.496 4.446 4.531 . 0 0 "[ . ]" 1
138 1 15 ASP HA 1 16 GLU H 5.000 . 5.000 3.531 3.523 3.539 . 0 0 "[ . ]" 1
139 1 15 ASP HB2 1 16 GLU H . . 3.500 3.519 3.459 3.606 0.106 5 0 "[ . ]" 1
140 1 15 ASP HB3 1 16 GLU H 3.500 . 3.500 2.267 2.143 2.354 . 0 0 "[ . ]" 1
141 1 16 GLU H 1 16 GLU HA 2.800 . 2.800 2.795 2.766 2.812 0.012 2 0 "[ . ]" 1
142 1 16 GLU H 1 16 GLU QB 2.800 . 2.800 2.470 2.453 2.486 . 0 0 "[ . ]" 1
143 1 16 GLU H 1 16 GLU HG3 3.500 . 3.500 2.138 2.120 2.203 . 0 0 "[ . ]" 1
144 1 16 GLU H 1 16 GLU HG2 3.500 . 3.500 3.239 3.228 3.254 . 0 0 "[ . ]" 1
145 1 17 LEU HA 1 17 LEU QD . . 2.800 1.941 1.640 2.534 . 0 0 "[ . ]" 1
146 1 17 LEU HA 1 20 ALA MB 2.800 . 2.800 2.583 2.553 2.644 . 0 0 "[ . ]" 1
147 1 14 LEU HA 1 17 LEU QB 2.800 . 2.800 2.353 2.202 2.461 . 0 0 "[ . ]" 1
148 1 17 LEU QB 1 17 LEU QD 2.800 . 2.800 1.953 1.888 2.092 . 0 0 "[ . ]" 1
149 1 16 GLU QB 1 17 LEU QD 5.000 . 5.000 4.482 4.238 4.900 . 0 0 "[ . ]" 1
150 1 17 LEU H 1 17 LEU HA . . 2.800 2.830 2.809 2.842 0.042 5 0 "[ . ]" 1
151 1 17 LEU H 1 17 LEU QB . . 2.800 2.183 2.108 2.234 . 0 0 "[ . ]" 1
152 1 17 LEU H 1 17 LEU QD . . 3.500 3.598 3.520 3.739 0.239 3 0 "[ . ]" 1
153 1 18 GLU HA 1 21 LEU QB . . 3.500 2.249 2.214 2.344 . 0 0 "[ . ]" 1
154 1 18 GLU HA 1 21 LEU QD . . 3.500 2.959 2.853 3.115 . 0 0 "[ . ]" 1
155 1 18 GLU HA 1 21 LEU HG 5.000 . 5.000 4.260 4.167 4.366 . 0 0 "[ . ]" 1
156 1 15 ASP HA 1 18 GLU QB 3.500 . 3.500 3.099 2.748 3.235 . 0 0 "[ . ]" 1
157 1 18 GLU HA 1 18 GLU QB 2.800 . 2.800 2.355 2.321 2.367 . 0 0 "[ . ]" 1
158 1 18 GLU QG 1 19 LYS HG2 5.000 . 5.000 3.796 3.521 4.059 . 0 0 "[ . ]" 1
159 1 14 LEU HA 1 18 GLU H 5.000 . 5.000 4.209 4.118 4.285 . 0 0 "[ . ]" 1
160 1 15 ASP HA 1 18 GLU H 5.000 . 5.000 3.608 3.411 3.733 . 0 0 "[ . ]" 1
161 1 16 GLU HA 1 18 GLU H 5.000 . 5.000 4.415 4.149 4.563 . 0 0 "[ . ]" 1
162 1 17 LEU HA 1 18 GLU H . . 3.500 3.489 3.460 3.514 0.014 4 0 "[ . ]" 1
163 1 17 LEU QB 1 18 GLU H . . 3.500 2.392 2.307 2.645 . 0 0 "[ . ]" 1
164 1 18 GLU H 1 18 GLU QB . . 2.800 2.230 2.194 2.241 . 0 0 "[ . ]" 1
165 1 18 GLU H 1 18 GLU QG 5.000 . 5.000 3.950 3.930 3.991 . 0 0 "[ . ]" 1
166 1 18 GLU HA 1 19 LYS HA 5.000 . 5.000 4.700 4.682 4.721 . 0 0 "[ . ]" 1
167 1 19 LYS HA 1 19 LYS QB 2.800 . 2.800 2.330 2.283 2.343 . 0 0 "[ . ]" 1
168 1 19 LYS HA 1 19 LYS QE 5.000 . 5.000 3.614 3.026 4.319 . 0 0 "[ . ]" 1
169 1 19 LYS HA 1 19 LYS HG2 . . 2.800 2.725 2.602 2.766 . 0 0 "[ . ]" 1
170 1 19 LYS QB 1 19 LYS HG2 . . 2.800 2.423 2.405 2.447 . 0 0 "[ . ]" 1
171 1 19 LYS QB 1 19 LYS HG3 . . 2.800 2.159 2.141 2.249 . 0 0 "[ . ]" 1
172 1 19 LYS QB 1 20 ALA HA 5.000 . 5.000 3.930 3.865 3.957 . 0 0 "[ . ]" 1
173 1 19 LYS QE 1 19 LYS HG3 . . 3.500 2.601 2.400 3.291 . 0 0 "[ . ]" 1
174 1 18 GLU HA 1 19 LYS QG 5.000 . 5.000 4.844 4.808 4.867 . 0 0 "[ . ]" 1
175 1 15 ASP HA 1 19 LYS HG2 5.000 . 5.000 4.006 3.697 4.533 . 0 0 "[ . ]" 1
176 1 15 ASP HA 1 19 LYS H 5.000 . 5.000 4.224 4.021 4.345 . 0 0 "[ . ]" 1
177 1 17 LEU HA 1 19 LYS H 5.000 . 5.000 4.457 4.413 4.492 . 0 0 "[ . ]" 1
178 1 18 GLU HA 1 19 LYS H 5.000 . 5.000 3.481 3.474 3.491 . 0 0 "[ . ]" 1
179 1 18 GLU QB 1 19 LYS H . . 2.800 2.468 2.449 2.507 . 0 0 "[ . ]" 1
180 1 18 GLU QG 1 19 LYS H 5.000 . 5.000 3.497 3.360 3.570 . 0 0 "[ . ]" 1
181 1 19 LYS H 1 19 LYS HA 2.800 . 2.800 2.765 2.757 2.773 . 0 0 "[ . ]" 1
182 1 19 LYS H 1 19 LYS QB 2.800 . 2.800 2.481 2.440 2.610 . 0 0 "[ . ]" 1
183 1 19 LYS H 1 19 LYS QE 5.000 . 5.000 4.390 4.015 4.574 . 0 0 "[ . ]" 1
184 1 19 LYS H 1 19 LYS HG2 . . 2.800 1.962 1.808 2.603 . 0 0 "[ . ]" 1
185 1 19 LYS H 1 19 LYS HG3 . . 3.500 2.994 1.855 3.215 . 0 0 "[ . ]" 1
186 1 19 LYS H 1 20 ALA MB 5.000 . 5.000 4.160 4.129 4.183 . 0 0 "[ . ]" 1
187 1 19 LYS H 1 40 LEU QD 5.000 . 5.000 8.667 8.460 9.084 4.084 1 8 [+******-] 1
188 1 20 ALA HA 1 23 ALA MB 3.500 . 3.500 2.933 2.840 3.023 . 0 0 "[ . ]" 1
189 1 8 VAL HB 1 20 ALA MB 5.000 . 5.000 12.143 11.372 12.620 7.620 1 8 [+-******] 1
190 1 10 ILE HA 1 20 ALA MB 5.000 . 5.000 11.449 11.333 11.621 6.621 2 8 [*+*-****] 1
191 1 10 ILE HB 1 20 ALA MB 5.000 . 5.000 13.403 13.266 13.582 8.582 2 8 [*+*-****] 1
192 1 10 ILE MD 1 20 ALA MB 2.800 . 2.800 9.996 9.839 10.312 7.512 2 8 [*+*-****] 1
193 1 10 ILE QG 1 20 ALA MB 5.000 . 5.000 10.769 10.615 10.955 5.955 2 8 [*+*-****] 1
194 1 16 GLU HA 1 20 ALA MB 5.000 . 5.000 4.483 4.346 4.561 . 0 0 "[ . ]" 1
195 1 17 LEU HA 1 20 ALA H 3.500 . 3.500 3.438 3.400 3.501 0.001 2 0 "[ . ]" 1
196 1 18 GLU HA 1 20 ALA H 5.000 . 5.000 4.128 4.037 4.193 . 0 0 "[ . ]" 1
197 1 19 LYS QB 1 20 ALA H . . 2.800 2.591 2.578 2.624 . 0 0 "[ . ]" 1
198 1 19 LYS HG2 1 20 ALA H 5.000 . 5.000 4.100 3.996 4.549 . 0 0 "[ . ]" 1
199 1 19 LYS HG3 1 20 ALA H 5.000 . 5.000 4.530 3.723 4.678 . 0 0 "[ . ]" 1
200 1 20 ALA H 1 20 ALA HA 2.800 . 2.800 2.822 2.819 2.829 0.029 6 0 "[ . ]" 1
201 1 20 ALA H 1 20 ALA MB 2.800 . 2.800 2.103 2.046 2.149 . 0 0 "[ . ]" 1
202 1 10 ILE MD 1 21 LEU HA 3.500 . 3.500 14.235 14.064 14.636 11.136 2 8 [*+*****-] 1
203 1 21 LEU HA 1 21 LEU QB . . 2.800 2.486 2.484 2.488 . 0 0 "[ . ]" 1
204 1 21 LEU HA 1 21 LEU QD . . 2.800 1.563 1.549 1.582 . 0 0 "[ . ]" 1
205 1 21 LEU HA 1 21 LEU HG 3.500 . 3.500 3.297 3.280 3.314 . 0 0 "[ . ]" 1
206 1 21 LEU HA 1 24 LEU QB 5.000 . 5.000 2.321 2.123 2.479 . 0 0 "[ . ]" 1
207 1 21 LEU HA 1 44 TRP HH2 5.000 . 5.000 21.232 21.112 21.325 16.325 4 8 [***+*-**] 1
208 1 10 ILE MD 1 21 LEU QB 3.500 . 3.500 11.584 11.454 11.885 8.385 2 8 [*+-*****] 1
209 1 20 ALA MB 1 21 LEU QB 3.500 . 3.500 3.410 3.388 3.427 . 0 0 "[ . ]" 1
210 1 21 LEU QB 1 21 LEU QD 2.800 . 2.800 1.929 1.880 1.950 . 0 0 "[ . ]" 1
211 1 21 LEU QB 1 21 LEU HG 2.800 . 2.800 2.087 2.084 2.090 . 0 0 "[ . ]" 1
212 1 21 LEU QB 1 44 TRP HE3 5.000 . 5.000 16.023 15.846 16.141 11.141 1 8 [+****-**] 1
213 1 21 LEU MD1 1 21 LEU MD2 2.800 . 2.800 2.005 1.976 2.021 . 0 0 "[ . ]" 1
214 1 21 LEU QD 1 44 TRP HA 5.000 . 5.000 12.615 12.501 12.722 7.722 1 8 [+****-**] 1
215 1 21 LEU QD 1 44 TRP QB 5.000 . 5.000 9.711 9.623 9.786 4.786 1 8 [+****-**] 1
216 1 21 LEU QD 1 44 TRP HD1 5.000 . 5.000 11.324 11.252 11.376 6.376 2 8 [*+**-***] 1
217 1 21 LEU QD 1 44 TRP HE3 5.000 . 5.000 12.606 12.489 12.667 7.667 1 8 [+****-**] 1
218 1 21 LEU QD 1 44 TRP HZ3 5.000 . 5.000 13.706 13.602 13.774 8.774 4 8 [***+*-**] 1
219 1 10 ILE HA 1 21 LEU QD 5.000 . 5.000 11.303 11.228 11.461 6.461 2 8 [*+-*****] 1
220 1 10 ILE HB 1 21 LEU QD 5.000 . 5.000 12.686 12.608 12.860 7.860 2 8 [*+*-****] 1
221 1 10 ILE MD 1 21 LEU QD 2.800 . 2.800 9.520 9.401 9.811 7.011 2 8 [*+*-****] 1
222 1 10 ILE MG 1 21 LEU QD 5.000 . 5.000 9.892 9.814 9.958 4.958 3 8 [-*+*****] 1
223 1 20 ALA MB 1 21 LEU QD 5.000 . 5.000 3.224 3.196 3.241 . 0 0 "[ . ]" 1
224 1 21 LEU QD 1 22 GLU HA 5.000 . 5.000 4.594 4.573 4.622 . 0 0 "[ . ]" 1
225 1 21 LEU QD 1 24 LEU QB 5.000 . 5.000 2.127 1.904 2.301 . 0 0 "[ . ]" 1
226 1 21 LEU QD 1 24 LEU QD 3.500 . 3.500 2.926 2.871 2.999 . 0 0 "[ . ]" 1
227 1 21 LEU QD 1 33 VAL HA 5.000 . 5.000 4.038 4.015 4.048 . 0 0 "[ . ]" 1
228 1 21 LEU QD 1 33 VAL HB 5.000 . 5.000 2.859 2.814 2.893 . 0 0 "[ . ]" 1
229 1 21 LEU QD 1 33 VAL QG 3.500 . 3.500 1.422 1.393 1.445 . 0 0 "[ . ]" 1
230 1 21 LEU QD 1 37 LEU QD 3.500 . 3.500 1.692 1.611 1.740 . 0 0 "[ . ]" 1
231 1 21 LEU QD 1 44 TRP HH2 5.000 . 5.000 14.086 14.008 14.169 9.169 4 8 [***+-***] 1
232 1 21 LEU HG 1 44 TRP HZ3 5.000 . 5.000 19.369 19.196 19.489 14.489 7 8 [*****-+*] 1
233 1 20 ALA HA 1 21 LEU H 5.000 . 5.000 3.443 3.435 3.459 . 0 0 "[ . ]" 1
234 1 20 ALA MB 1 21 LEU H . . 2.800 2.166 2.147 2.187 . 0 0 "[ . ]" 1
235 1 21 LEU H 1 21 LEU HA . . 2.800 2.738 2.728 2.748 . 0 0 "[ . ]" 1
236 1 21 LEU H 1 21 LEU QB . . 2.800 1.868 1.859 1.886 . 0 0 "[ . ]" 1
237 1 21 LEU H 1 21 LEU QD 3.500 . 3.500 2.949 2.940 2.960 . 0 0 "[ . ]" 1
238 1 21 LEU H 1 21 LEU HG 5.000 . 5.000 4.416 4.406 4.436 . 0 0 "[ . ]" 1
239 1 21 LEU H 1 22 GLU QG 5.000 . 5.000 4.412 4.361 4.461 . 0 0 "[ . ]" 1
240 1 21 LEU H 1 23 ALA MB 5.000 . 5.000 4.634 4.601 4.678 . 0 0 "[ . ]" 1
241 1 22 GLU HA 1 22 GLU QB 2.800 . 2.800 2.421 2.411 2.432 . 0 0 "[ . ]" 1
242 1 22 GLU HA 1 22 GLU QG 2.800 . 2.800 2.415 2.373 2.640 . 0 0 "[ . ]" 1
243 1 22 GLU HA 1 23 ALA HA 5.000 . 5.000 4.672 4.664 4.683 . 0 0 "[ . ]" 1
244 1 20 ALA HA 1 22 GLU QB 5.000 . 5.000 4.660 4.628 4.697 . 0 0 "[ . ]" 1
245 1 22 GLU QB 1 23 ALA HA 5.000 . 5.000 3.931 3.908 3.949 . 0 0 "[ . ]" 1
246 1 22 GLU QB 1 23 ALA MB 5.000 . 5.000 3.804 3.784 3.821 . 0 0 "[ . ]" 1
247 1 21 LEU QB 1 22 GLU QG 5.000 . 5.000 3.520 3.463 3.554 . 0 0 "[ . ]" 1
248 1 18 GLU HA 1 22 GLU H 5.000 . 5.000 3.782 3.648 3.881 . 0 0 "[ . ]" 1
249 1 21 LEU HA 1 22 GLU H 5.000 . 5.000 3.489 3.481 3.497 . 0 0 "[ . ]" 1
250 1 21 LEU QB 1 22 GLU H . . 2.800 2.487 2.464 2.513 . 0 0 "[ . ]" 1
251 1 21 LEU QD 1 22 GLU H 5.000 . 5.000 3.854 3.846 3.858 . 0 0 "[ . ]" 1
252 1 21 LEU HG 1 22 GLU H 5.000 . 5.000 4.706 4.667 4.738 . 0 0 "[ . ]" 1
253 1 22 GLU H 1 22 GLU HA 2.800 . 2.800 2.707 2.697 2.712 . 0 0 "[ . ]" 1
254 1 22 GLU H 1 22 GLU QB 2.800 . 2.800 2.409 2.354 2.443 . 0 0 "[ . ]" 1
255 1 22 GLU H 1 22 GLU QG 3.500 . 3.500 2.272 2.230 2.324 . 0 0 "[ . ]" 1
256 1 22 GLU H 1 23 ALA MB 5.000 . 5.000 4.268 4.238 4.298 . 0 0 "[ . ]" 1
257 1 20 ALA HA 1 23 ALA H . . 3.500 3.645 3.617 3.679 0.179 4 0 "[ . ]" 1
258 1 22 GLU HA 1 23 ALA H 3.500 . 3.500 3.409 3.400 3.416 . 0 0 "[ . ]" 1
259 1 22 GLU QB 1 23 ALA H . . 2.800 2.715 2.682 2.751 . 0 0 "[ . ]" 1
260 1 23 ALA H 1 23 ALA HA . . 2.800 2.858 2.850 2.863 0.063 8 0 "[ . ]" 1
261 1 23 ALA H 1 23 ALA MB 2.800 . 2.800 2.069 2.054 2.085 . 0 0 "[ . ]" 1
262 1 23 ALA H 1 24 LEU QB 5.000 . 5.000 4.404 4.380 4.435 . 0 0 "[ . ]" 1
263 1 10 ILE MD 1 24 LEU HA 5.000 . 5.000 18.110 17.785 18.585 13.585 2 8 [*+*-****] 1
264 1 24 LEU HA 1 24 LEU QD . . 2.800 2.482 1.929 2.781 . 0 0 "[ . ]" 1
265 1 24 LEU HA 1 30 HIS HD2 5.000 . 5.000 2.994 2.726 3.229 . 0 0 "[ . ]" 1
266 1 10 ILE MG 1 24 LEU QB 5.000 . 5.000 15.187 14.954 15.370 10.370 3 8 [**+-****] 1
267 1 23 ALA MB 1 24 LEU QB 5.000 . 5.000 4.056 3.948 4.181 . 0 0 "[ . ]" 1
268 1 24 LEU QB 1 24 LEU QD 2.800 . 2.800 1.898 1.805 2.042 . 0 0 "[ . ]" 1
269 1 24 LEU QB 1 44 TRP HH2 5.000 . 5.000 21.023 20.889 21.181 16.181 3 8 [**+****-] 1
270 1 24 LEU QB 1 44 TRP HZ3 5.000 . 5.000 20.450 20.296 20.589 15.589 2 8 [*+*****-] 1
271 1 24 LEU QB 1 30 HIS HD2 5.000 . 5.000 2.456 2.355 2.526 . 0 0 "[ . ]" 1
272 1 24 LEU QD 1 27 GLU HB3 5.000 . 5.000 4.654 4.509 4.755 . 0 0 "[ . ]" 1
273 1 24 LEU QD 1 27 GLU HB2 5.000 . 5.000 3.707 3.413 3.917 . 0 0 "[ . ]" 1
274 1 24 LEU QD 1 27 GLU QG 5.000 . 5.000 3.800 3.595 4.448 . 0 0 "[ . ]" 1
275 1 24 LEU QD 1 30 HIS HD2 5.000 . 5.000 2.952 2.582 3.213 . 0 0 "[ . ]" 1
276 1 24 LEU QD 1 30 HIS HE1 5.000 . 5.000 2.756 2.635 2.930 . 0 0 "[ . ]" 1
277 1 24 LEU QD 1 44 TRP HH2 5.000 . 5.000 17.884 17.689 18.103 13.103 4 8 [-**+****] 1
278 1 24 LEU QD 1 44 TRP HZ3 5.000 . 5.000 17.339 17.152 17.573 12.573 4 8 [***+-***] 1
279 1 20 ALA HA 1 24 LEU QD 5.000 . 5.000 3.773 3.569 4.041 . 0 0 "[ . ]" 1
280 1 23 ALA HA 1 24 LEU QD 5.000 . 5.000 4.138 3.979 4.386 . 0 0 "[ . ]" 1
281 1 23 ALA MB 1 24 LEU QD 5.000 . 5.000 2.162 2.088 2.232 . 0 0 "[ . ]" 1
282 1 10 ILE QG 1 24 LEU QD 5.000 . 5.000 12.912 12.843 13.122 8.122 2 8 [*+-*****] 1
283 1 24 LEU HG 1 30 HIS HD2 5.000 . 5.000 3.879 3.439 4.576 . 0 0 "[ . ]" 1
284 1 20 ALA HA 1 24 LEU H 5.000 . 5.000 4.685 4.640 4.727 . 0 0 "[ . ]" 1
285 1 20 ALA MB 1 24 LEU H 5.000 . 5.000 4.563 4.518 4.611 . 0 0 "[ . ]" 1
286 1 21 LEU HA 1 24 LEU H 3.500 . 3.500 2.804 2.774 2.843 . 0 0 "[ . ]" 1
287 1 23 ALA HA 1 24 LEU H . . 3.500 3.536 3.529 3.543 0.043 1 0 "[ . ]" 1
288 1 23 ALA MB 1 24 LEU H . . 2.800 2.563 2.540 2.594 . 0 0 "[ . ]" 1
289 1 24 LEU H 1 24 LEU HA . . 2.800 2.875 2.864 2.882 0.082 3 0 "[ . ]" 1
290 1 24 LEU H 1 24 LEU QB . . 2.800 2.309 2.252 2.369 . 0 0 "[ . ]" 1
291 1 24 LEU H 1 24 LEU QD . . 3.500 2.095 1.876 2.330 . 0 0 "[ . ]" 1
292 1 24 LEU H 1 24 LEU HG 5.000 . 5.000 3.729 3.654 3.843 . 0 0 "[ . ]" 1
293 1 25 SER HA 1 26 ALA MB 5.000 . 5.000 3.787 3.762 3.805 . 0 0 "[ . ]" 1
294 1 25 SER HA 1 44 TRP HH2 5.000 . 5.000 24.560 24.335 24.807 19.807 4 8 [***+*-**] 1
295 1 25 SER HA 1 44 TRP HZ3 5.000 . 5.000 24.248 24.006 24.479 19.479 7 8 [*****-+*] 1
296 1 23 ALA HA 1 25 SER H 5.000 . 5.000 3.616 3.483 3.726 . 0 0 "[ . ]" 1
297 1 23 ALA MB 1 25 SER H 5.000 . 5.000 4.099 4.025 4.173 . 0 0 "[ . ]" 1
298 1 24 LEU HA 1 25 SER H . . 2.800 3.090 3.070 3.118 0.318 8 0 "[ . ]" 1
299 1 24 LEU QB 1 25 SER H 5.000 . 5.000 3.567 3.511 3.604 . 0 0 "[ . ]" 1
300 1 24 LEU QD 1 25 SER H 5.000 . 5.000 4.025 3.797 4.236 . 0 0 "[ . ]" 1
301 1 25 SER H 1 25 SER HA . . 2.800 2.722 2.717 2.729 . 0 0 "[ . ]" 1
302 1 25 SER H 1 25 SER QB . . 2.800 2.445 2.267 2.557 . 0 0 "[ . ]" 1
303 1 26 ALA HA 1 44 TRP HZ3 5.000 . 5.000 26.157 26.005 26.225 21.225 4 8 [***+-***] 1
304 1 26 ALA MB 1 27 GLU HA 5.000 . 5.000 4.183 4.135 4.209 . 0 0 "[ . ]" 1
305 1 26 ALA MB 1 27 GLU QG 5.000 . 5.000 4.556 4.516 4.588 . 0 0 "[ . ]" 1
306 1 26 ALA MB 1 44 TRP HZ3 5.000 . 5.000 22.701 22.606 22.793 17.793 2 8 [*+**-***] 1
307 1 25 SER HA 1 26 ALA H . . 2.800 2.279 2.259 2.303 . 0 0 "[ . ]" 1
308 1 25 SER QB 1 26 ALA H 5.000 . 5.000 3.834 3.786 4.024 . 0 0 "[ . ]" 1
309 1 26 ALA H 1 26 ALA HA . . 2.800 2.282 2.279 2.291 . 0 0 "[ . ]" 1
310 1 26 ALA H 1 26 ALA MB . . 2.800 2.745 2.704 2.777 . 0 0 "[ . ]" 1
311 1 27 GLU HA 1 27 GLU QG 2.800 . 2.800 2.562 2.205 2.659 . 0 0 "[ . ]" 1
312 1 24 LEU HA 1 27 GLU HB3 5.000 . 5.000 3.889 3.587 4.423 . 0 0 "[ . ]" 1
313 1 27 GLU HB3 1 30 HIS HD2 5.000 . 5.000 3.822 3.554 4.324 . 0 0 "[ . ]" 1
314 1 27 GLU HB2 1 30 HIS HD2 5.000 . 5.000 2.213 1.923 2.821 . 0 0 "[ . ]" 1
315 1 24 LEU HA 1 27 GLU QG 5.000 . 5.000 2.324 1.735 3.607 . 0 0 "[ . ]" 1
316 1 27 GLU HB3 1 27 GLU QG 2.800 . 2.800 2.392 2.374 2.405 . 0 0 "[ . ]" 1
317 1 27 GLU HB2 1 27 GLU QG 2.800 . 2.800 2.169 2.150 2.278 . 0 0 "[ . ]" 1
318 1 27 GLU QG 1 30 HIS HD2 5.000 . 5.000 3.710 3.406 4.378 . 0 0 "[ . ]" 1
319 1 26 ALA MB 1 27 GLU H 3.500 . 3.500 3.540 3.529 3.554 0.054 2 0 "[ . ]" 1
320 1 27 GLU H 1 27 GLU HA . . 2.800 2.783 2.772 2.806 0.006 4 0 "[ . ]" 1
321 1 27 GLU H 1 27 GLU HB3 . . 3.500 3.524 3.511 3.537 0.037 7 0 "[ . ]" 1
322 1 27 GLU H 1 27 GLU HB2 . . 3.500 2.278 2.244 2.318 . 0 0 "[ . ]" 1
323 1 27 GLU H 1 27 GLU QG . . 2.800 2.406 2.321 2.622 . 0 0 "[ . ]" 1
324 1 28 ASP HA 1 29 GLY HA2 5.000 . 5.000 4.632 4.618 4.647 . 0 0 "[ . ]" 1
325 1 28 ASP HA 1 29 GLY HA3 5.000 . 5.000 4.267 4.261 4.271 . 0 0 "[ . ]" 1
326 1 28 ASP HA 1 28 ASP QB 2.800 . 2.800 2.433 2.424 2.443 . 0 0 "[ . ]" 1
327 1 28 ASP HB3 1 30 HIS HD2 5.000 . 5.000 4.297 4.123 4.435 . 0 0 "[ . ]" 1
328 1 27 GLU HA 1 28 ASP HB2 5.000 . 5.000 4.579 4.531 4.670 . 0 0 "[ . ]" 1
329 1 27 GLU HB3 1 28 ASP H . . 3.500 3.579 3.525 3.645 0.145 4 0 "[ . ]" 1
330 1 27 GLU HB2 1 28 ASP H . . 3.500 2.872 2.809 3.045 . 0 0 "[ . ]" 1
331 1 27 GLU QG 1 28 ASP H 5.000 . 5.000 4.299 4.250 4.398 . 0 0 "[ . ]" 1
332 1 28 ASP H 1 28 ASP HA . . 2.800 2.873 2.863 2.887 0.087 4 0 "[ . ]" 1
333 1 28 ASP H 1 28 ASP HB2 3.500 . 3.500 3.149 3.105 3.180 . 0 0 "[ . ]" 1
334 1 28 ASP H 1 30 HIS HD2 5.000 . 5.000 2.552 2.466 2.653 . 0 0 "[ . ]" 1
335 1 26 ALA MB 1 29 GLY HA2 5.000 . 5.000 4.408 4.226 4.493 . 0 0 "[ . ]" 1
336 1 28 ASP HA 1 29 GLY H 2.800 . 2.800 2.595 2.584 2.608 . 0 0 "[ . ]" 1
337 1 28 ASP HB3 1 29 GLY H 5.000 . 5.000 4.218 4.214 4.224 . 0 0 "[ . ]" 1
338 1 28 ASP HB2 1 29 GLY H 5.000 . 5.000 4.519 4.516 4.524 . 0 0 "[ . ]" 1
339 1 29 GLY H 1 29 GLY HA2 2.800 . 2.800 2.280 2.278 2.283 . 0 0 "[ . ]" 1
340 1 29 GLY H 1 29 GLY HA3 . . 2.800 2.787 2.765 2.803 0.003 1 0 "[ . ]" 1
341 1 29 GLY HA2 1 30 HIS HA 5.000 . 5.000 4.575 4.568 4.579 . 0 0 "[ . ]" 1
342 1 30 HIS HA 1 30 HIS HD2 5.000 . 5.000 4.510 4.483 4.544 . 0 0 "[ . ]" 1
343 1 30 HIS QB 1 33 VAL HA 5.000 . 5.000 4.579 4.572 4.601 . 0 0 "[ . ]" 1
344 1 30 HIS QB 1 33 VAL HB 5.000 . 5.000 3.038 2.964 3.160 . 0 0 "[ . ]" 1
345 1 30 HIS QB 1 33 VAL QG . . 3.500 1.503 1.464 1.549 . 0 0 "[ . ]" 1
346 1 30 HIS QB 1 44 TRP HZ2 5.000 . 5.000 20.887 20.749 20.962 15.962 8 8 [-******+] 1
347 1 30 HIS QB 1 44 TRP HZ3 5.000 . 5.000 20.677 20.578 20.763 15.763 2 8 [*+**-***] 1
348 1 28 ASP HB2 1 30 HIS HD2 5.000 . 5.000 4.634 4.602 4.665 . 0 0 "[ . ]" 1
349 1 10 ILE MG 1 30 HIS HE1 5.000 . 5.000 20.652 20.465 20.865 15.865 2 8 [-+******] 1
350 1 29 GLY HA2 1 30 HIS H . . 3.500 2.680 2.668 2.703 . 0 0 "[ . ]" 1
351 1 29 GLY HA3 1 30 HIS H . . 3.500 3.550 3.546 3.556 0.056 4 0 "[ . ]" 1
352 1 30 HIS QB 1 31 ASP H 5.000 . 5.000 3.896 3.891 3.900 . 0 0 "[ . ]" 1
353 1 31 ASP H 1 31 ASP HA . . 2.800 2.791 2.785 2.801 0.001 8 0 "[ . ]" 1
354 1 31 ASP H 1 31 ASP HB3 . . 3.500 2.784 2.476 3.580 0.080 2 0 "[ . ]" 1
355 1 31 ASP H 1 31 ASP HB2 . . 2.800 2.798 2.500 3.592 0.792 8 2 "[ - . +]" 1
356 1 32 ASP HA 1 32 ASP QB 2.800 . 2.800 2.336 2.189 2.373 . 0 0 "[ . ]" 1
357 1 32 ASP HA 1 33 VAL HA 5.000 . 5.000 4.737 4.710 4.762 . 0 0 "[ . ]" 1
358 1 32 ASP QB 1 33 VAL HA 5.000 . 5.000 4.031 3.857 4.365 . 0 0 "[ . ]" 1
359 1 31 ASP HA 1 32 ASP H . . 3.500 3.406 3.379 3.421 . 0 0 "[ . ]" 1
360 1 31 ASP HB3 1 32 ASP H 5.000 . 5.000 3.605 3.057 4.220 . 0 0 "[ . ]" 1
361 1 31 ASP HB2 1 32 ASP H 5.000 . 5.000 3.881 3.103 4.178 . 0 0 "[ . ]" 1
362 1 32 ASP H 1 32 ASP QB . . 2.800 2.406 2.258 2.617 . 0 0 "[ . ]" 1
363 1 32 ASP H 1 33 VAL HB 5.000 . 5.000 4.677 4.646 4.699 . 0 0 "[ . ]" 1
364 1 32 ASP H 1 33 VAL QG 5.000 . 5.000 3.619 3.553 3.671 . 0 0 "[ . ]" 1
365 1 10 ILE MG 1 33 VAL HA 5.000 . 5.000 15.109 14.957 15.244 10.244 6 8 [-****+**] 1
366 1 14 LEU QD 1 33 VAL HA 5.000 . 5.000 9.718 9.551 9.873 4.873 2 8 [-+******] 1
367 1 33 VAL HA 1 33 VAL QG 2.800 . 2.800 2.147 2.142 2.152 . 0 0 "[ . ]" 1
368 1 33 VAL HA 1 36 ARG QB 3.500 . 3.500 2.964 2.777 3.113 . 0 0 "[ . ]" 1
369 1 33 VAL HB 1 34 GLY QA 5.000 . 5.000 3.792 3.779 3.817 . 0 0 "[ . ]" 1
370 1 33 VAL HB 1 37 LEU QD 5.000 . 5.000 3.645 3.573 3.741 . 0 0 "[ . ]" 1
371 1 33 VAL HB 1 44 TRP HD1 5.000 . 5.000 16.620 16.551 16.731 11.731 2 8 [*+**-***] 1
372 1 33 VAL HB 1 44 TRP HZ2 5.000 . 5.000 20.184 20.038 20.250 15.250 2 8 [-+******] 1
373 1 30 HIS HD2 1 33 VAL QG 5.000 . 5.000 4.208 4.173 4.240 . 0 0 "[ . ]" 1
374 1 32 ASP HA 1 33 VAL QG 5.000 . 5.000 4.557 4.546 4.573 . 0 0 "[ . ]" 1
375 1 32 ASP QB 1 33 VAL QG 5.000 . 5.000 3.129 2.954 3.937 . 0 0 "[ . ]" 1
376 1 33 VAL MG1 1 33 VAL MG2 2.800 . 2.800 1.964 1.953 1.975 . 0 0 "[ . ]" 1
377 1 33 VAL QG 1 37 LEU QD . . 3.500 1.990 1.921 2.091 . 0 0 "[ . ]" 1
378 1 33 VAL QG 1 44 TRP HZ2 5.000 . 5.000 14.432 14.321 14.489 9.489 3 8 [-*+*****] 1
379 1 10 ILE MD 1 33 VAL QG 5.000 . 5.000 10.309 10.146 10.660 5.660 2 8 [*+*-****] 1
380 1 10 ILE MG 1 33 VAL QG 5.000 . 5.000 11.104 11.004 11.183 6.183 6 8 [-****+**] 1
381 1 14 LEU QD 1 33 VAL QG 3.500 . 3.500 6.892 6.773 7.012 3.512 2 8 [-+******] 1
382 1 20 ALA MB 1 33 VAL QG 5.000 . 5.000 4.360 4.317 4.401 . 0 0 "[ . ]" 1
383 1 21 LEU HA 1 33 VAL QG 5.000 . 5.000 3.573 3.549 3.615 . 0 0 "[ . ]" 1
384 1 21 LEU HG 1 33 VAL QG 5.000 . 5.000 2.953 2.851 3.028 . 0 0 "[ . ]" 1
385 1 24 LEU QB 1 33 VAL QG 5.000 . 5.000 2.853 2.715 2.963 . 0 0 "[ . ]" 1
386 1 24 LEU QD 1 33 VAL QG 5.000 . 5.000 2.689 2.334 3.265 . 0 0 "[ . ]" 1
387 1 33 VAL QG 1 34 GLY QA 5.000 . 5.000 3.347 3.333 3.352 . 0 0 "[ . ]" 1
388 1 33 VAL QG 1 36 ARG QB 5.000 . 5.000 3.491 3.341 3.668 . 0 0 "[ . ]" 1
389 1 33 VAL QG 1 37 LEU HA 5.000 . 5.000 4.670 4.629 4.723 . 0 0 "[ . ]" 1
390 1 33 VAL QG 1 37 LEU QB 5.000 . 5.000 3.448 3.419 3.501 . 0 0 "[ . ]" 1
391 1 33 VAL QG 1 37 LEU HG . . 3.500 2.535 2.494 2.565 . 0 0 "[ . ]" 1
392 1 33 VAL QG 1 41 LEU QD 5.000 . 5.000 7.396 7.315 7.484 2.484 2 8 [*+*****-] 1
393 1 33 VAL QG 1 44 TRP QB 5.000 . 5.000 9.986 9.940 10.061 5.061 2 8 [*+**-***] 1
394 1 33 VAL QG 1 44 TRP HD1 5.000 . 5.000 12.012 11.964 12.096 7.096 2 8 [*+**-***] 1
395 1 33 VAL QG 1 44 TRP HZ3 5.000 . 5.000 14.238 14.178 14.303 9.303 2 8 [*+**-***] 1
396 1 33 VAL H 1 33 VAL HB . . 2.800 2.491 2.465 2.514 . 0 0 "[ . ]" 1
397 1 33 VAL H 1 33 VAL QG 2.800 . 2.800 1.946 1.902 2.026 . 0 0 "[ . ]" 1
398 1 34 GLY QA 1 37 LEU QB 5.000 . 5.000 1.757 1.726 1.804 . 0 0 "[ . ]" 1
399 1 34 GLY QA 1 44 TRP HD1 5.000 . 5.000 12.189 12.131 12.311 7.311 2 8 [*+**-***] 1
400 1 34 GLY QA 1 37 LEU QD 5.000 . 5.000 2.258 2.155 2.357 . 0 0 "[ . ]" 1
401 1 34 GLY QA 1 37 LEU HG 5.000 . 5.000 3.517 3.456 3.581 . 0 0 "[ . ]" 1
402 1 33 VAL HA 1 34 GLY H 5.000 . 5.000 3.549 3.538 3.563 . 0 0 "[ . ]" 1
403 1 33 VAL HB 1 34 GLY H . . 3.500 2.383 2.360 2.413 . 0 0 "[ . ]" 1
404 1 33 VAL QG 1 34 GLY H 5.000 . 5.000 3.135 3.122 3.149 . 0 0 "[ . ]" 1
405 1 34 GLY H 1 34 GLY QA . . 2.800 2.205 2.197 2.214 . 0 0 "[ . ]" 1
406 1 34 GLY H 1 44 TRP HD1 5.000 . 5.000 15.823 15.760 15.951 10.951 2 8 [*+**-***] 1
407 1 34 GLY H 1 44 TRP HZ2 5.000 . 5.000 19.781 19.623 19.865 14.865 2 8 [-+******] 1
408 1 32 ASP HA 1 35 GLN QB 2.800 . 2.800 2.445 2.037 2.658 . 0 0 "[ . ]" 1
409 1 34 GLY QA 1 35 GLN QB 5.000 . 5.000 4.365 4.240 4.494 . 0 0 "[ . ]" 1
410 1 32 ASP HA 1 35 GLN QG 3.500 . 3.500 2.895 2.399 3.357 . 0 0 "[ . ]" 1
411 1 32 ASP HA 1 35 GLN H 5.000 . 5.000 3.322 3.239 3.434 . 0 0 "[ . ]" 1
412 1 33 VAL HA 1 35 GLN H 5.000 . 5.000 4.206 4.016 4.340 . 0 0 "[ . ]" 1
413 1 34 GLY QA 1 35 GLN H 5.000 . 5.000 2.764 2.698 2.800 . 0 0 "[ . ]" 1
414 1 35 GLN H 1 35 GLN HA . . 2.800 2.813 2.788 2.831 0.031 8 0 "[ . ]" 1
415 1 35 GLN H 1 35 GLN HG3 5.000 . 5.000 3.962 3.693 4.413 . 0 0 "[ . ]" 1
416 1 35 GLN H 1 35 GLN HG2 5.000 . 5.000 3.077 2.388 4.469 . 0 0 "[ . ]" 1
417 1 36 ARG HA 1 36 ARG QD 2.800 . 2.800 2.184 2.010 2.460 . 0 0 "[ . ]" 1
418 1 11 GLY QA 1 36 ARG QB 5.000 . 5.000 12.102 11.937 12.221 7.221 6 8 [-****+**] 1
419 1 36 ARG QB 1 36 ARG QD 2.800 . 2.800 2.188 2.113 2.247 . 0 0 "[ . ]" 1
420 1 11 GLY QA 1 36 ARG QG 5.000 . 5.000 13.803 13.596 13.975 8.975 2 8 [-+******] 1
421 1 33 VAL HA 1 36 ARG QG 5.000 . 5.000 2.963 2.660 3.250 . 0 0 "[ . ]" 1
422 1 14 LEU QD 1 36 ARG H 5.000 . 5.000 9.682 9.553 9.799 4.799 2 8 [-+******] 1
423 1 35 GLN HA 1 36 ARG H 3.500 . 3.500 3.471 3.464 3.481 . 0 0 "[ . ]" 1
424 1 36 ARG H 1 36 ARG HA 2.800 . 2.800 2.828 2.812 2.839 0.039 7 0 "[ . ]" 1
425 1 36 ARG H 1 36 ARG QB . . 2.800 2.421 2.290 2.474 . 0 0 "[ . ]" 1
426 1 36 ARG H 1 36 ARG QD 5.000 . 5.000 3.677 3.506 3.896 . 0 0 "[ . ]" 1
427 1 36 ARG H 1 36 ARG QG . . 2.800 2.204 2.112 2.299 . 0 0 "[ . ]" 1
428 1 36 ARG H 1 37 LEU HG 5.000 . 5.000 4.753 4.709 4.794 . 0 0 "[ . ]" 1
429 1 37 LEU HA 1 37 LEU QB . . 2.800 2.466 2.462 2.476 . 0 0 "[ . ]" 1
430 1 37 LEU HA 1 37 LEU QD 2.800 . 2.800 1.753 1.666 1.837 . 0 0 "[ . ]" 1
431 1 37 LEU HA 1 37 LEU HG . . 2.800 2.577 2.553 2.626 . 0 0 "[ . ]" 1
432 1 37 LEU HA 1 40 LEU QB 3.500 . 3.500 2.952 2.783 3.081 . 0 0 "[ . ]" 1
433 1 37 LEU HA 1 40 LEU HG 5.000 . 5.000 2.986 2.676 3.199 . 0 0 "[ . ]" 1
434 1 37 LEU QB 1 37 LEU HG 2.800 . 2.800 2.293 2.282 2.301 . 0 0 "[ . ]" 1
435 1 37 LEU QB 1 41 LEU QD . . 2.800 4.837 4.726 4.976 2.176 2 8 [-+******] 1
436 1 37 LEU QB 1 38 GLU HA 5.000 . 5.000 3.758 3.728 3.804 . 0 0 "[ . ]" 1
437 1 37 LEU QB 1 44 TRP HD1 5.000 . 5.000 9.600 9.545 9.708 4.708 2 8 [-+******] 1
438 1 37 LEU QD 1 38 GLU HA 5.000 . 5.000 4.683 4.655 4.740 . 0 0 "[ . ]" 1
439 1 37 LEU QD 1 40 LEU HG 5.000 . 5.000 3.979 3.763 4.191 . 0 0 "[ . ]" 1
440 1 37 LEU QD 1 41 LEU QB 5.000 . 5.000 5.109 5.042 5.154 0.154 5 0 "[ . ]" 1
441 1 37 LEU QD 1 41 LEU QD 3.500 . 3.500 4.351 4.273 4.418 0.918 2 8 [*+*****-] 1
442 1 33 VAL HA 1 37 LEU QD 5.000 . 5.000 4.243 4.153 4.332 . 0 0 "[ . ]" 1
443 1 37 LEU QD 1 40 LEU QB 5.000 . 5.000 3.462 3.385 3.571 . 0 0 "[ . ]" 1
444 1 37 LEU QD 1 44 TRP HA 5.000 . 5.000 9.273 9.186 9.332 4.332 3 8 [**+*-***] 1
445 1 37 LEU QD 1 44 TRP QB . . 3.500 6.655 6.584 6.717 3.217 2 8 [*+**-***] 1
446 1 37 LEU QD 1 44 TRP HD1 5.000 . 5.000 7.930 7.866 7.996 2.996 2 8 [*+**-***] 1
447 1 37 LEU HG 1 44 TRP HD1 5.000 . 5.000 11.824 11.743 11.919 6.919 3 8 [**+*-***] 1
448 1 33 VAL HA 1 37 LEU H 5.000 . 5.000 4.000 3.888 4.058 . 0 0 "[ . ]" 1
449 1 33 VAL QG 1 37 LEU H 5.000 . 5.000 3.619 3.537 3.709 . 0 0 "[ . ]" 1
450 1 34 GLY QA 1 37 LEU H 5.000 . 5.000 3.090 3.052 3.113 . 0 0 "[ . ]" 1
451 1 36 ARG QB 1 37 LEU H . . 2.800 2.338 2.263 2.426 . 0 0 "[ . ]" 1
452 1 37 LEU H 1 37 LEU HA . . 2.800 2.715 2.708 2.724 . 0 0 "[ . ]" 1
453 1 37 LEU H 1 37 LEU QB . . 2.800 1.976 1.946 2.019 . 0 0 "[ . ]" 1
454 1 37 LEU H 1 37 LEU QD . . 3.500 3.262 3.243 3.280 . 0 0 "[ . ]" 1
455 1 37 LEU H 1 37 LEU HG 2.800 . 2.800 2.684 2.659 2.704 . 0 0 "[ . ]" 1
456 1 37 LEU H 1 40 LEU HG 5.000 . 5.000 4.330 4.173 4.483 . 0 0 "[ . ]" 1
457 1 38 GLU HA 1 38 GLU HB2 . . 2.800 2.582 2.552 2.617 . 0 0 "[ . ]" 1
458 1 38 GLU HA 1 38 GLU QG 3.500 . 3.500 2.347 2.306 2.391 . 0 0 "[ . ]" 1
459 1 38 GLU HA 1 41 LEU QB . . 3.500 2.966 2.826 3.041 . 0 0 "[ . ]" 1
460 1 38 GLU HA 1 41 LEU QD . . 2.800 3.770 3.626 3.918 1.118 2 8 [-+******] 1
461 1 38 GLU QB 1 41 LEU QD 3.500 . 3.500 5.221 5.084 5.334 1.834 2 8 [-+******] 1
462 1 38 GLU HB3 1 39 SER HA 5.000 . 5.000 3.907 3.899 3.923 . 0 0 "[ . ]" 1
463 1 34 GLY QA 1 38 GLU HB2 5.000 . 5.000 4.058 4.010 4.112 . 0 0 "[ . ]" 1
464 1 37 LEU QB 1 38 GLU HB2 5.000 . 5.000 3.834 3.787 3.875 . 0 0 "[ . ]" 1
465 1 38 GLU QG 1 41 LEU QD . . 3.500 4.354 4.209 4.498 0.998 2 8 [-+******] 1
466 1 38 GLU QG 1 41 LEU QB 5.000 . 5.000 3.869 3.798 3.907 . 0 0 "[ . ]" 1
467 1 38 GLU H 1 38 GLU HA . . 2.800 2.812 2.799 2.835 0.035 1 0 "[ . ]" 1
468 1 38 GLU H 1 38 GLU HB3 3.500 . 3.500 2.729 2.680 2.789 . 0 0 "[ . ]" 1
469 1 38 GLU H 1 38 GLU HB2 2.800 . 2.800 2.277 2.219 2.325 . 0 0 "[ . ]" 1
470 1 38 GLU H 1 38 GLU QG 5.000 . 5.000 3.886 3.852 3.910 . 0 0 "[ . ]" 1
471 1 39 SER HA 1 39 SER QB 2.800 . 2.800 2.402 2.392 2.423 . 0 0 "[ . ]" 1
472 1 38 GLU HA 1 39 SER H 3.500 . 3.500 3.467 3.459 3.479 . 0 0 "[ . ]" 1
473 1 38 GLU HB3 1 39 SER H 3.500 . 3.500 2.290 2.185 2.391 . 0 0 "[ . ]" 1
474 1 38 GLU HB2 1 39 SER H 3.500 . 3.500 3.424 3.403 3.452 . 0 0 "[ . ]" 1
475 1 39 SER H 1 39 SER HA . . 2.800 2.766 2.747 2.779 . 0 0 "[ . ]" 1
476 1 37 LEU QD 1 40 LEU HA 5.000 . 5.000 5.897 5.792 6.068 1.068 1 8 [+****-**] 1
477 1 40 LEU HA 1 40 LEU QB . . 2.800 2.395 2.373 2.427 . 0 0 "[ . ]" 1
478 1 40 LEU HA 1 40 LEU QD 2.800 . 2.800 1.821 1.624 2.008 . 0 0 "[ . ]" 1
479 1 40 LEU HA 1 40 LEU HG 3.500 . 3.500 3.052 2.911 3.158 . 0 0 "[ . ]" 1
480 1 40 LEU HA 1 44 TRP QB 5.000 . 5.000 4.314 4.283 4.355 . 0 0 "[ . ]" 1
481 1 40 LEU QB 1 40 LEU QD 2.800 . 2.800 1.923 1.880 1.958 . 0 0 "[ . ]" 1
482 1 17 LEU QB 1 40 LEU QD . . 2.800 4.410 4.256 4.731 1.931 1 8 [+****-**] 1
483 1 18 GLU HA 1 40 LEU QD 3.500 . 3.500 7.310 7.050 7.732 4.232 1 8 [+******-] 1
484 1 18 GLU QG 1 40 LEU QD 3.500 . 3.500 8.110 7.810 8.662 5.162 1 8 [+******-] 1
485 1 37 LEU HA 1 40 LEU QD 2.800 . 2.800 2.179 1.809 2.544 . 0 0 "[ . ]" 1
486 1 37 LEU HA 1 40 LEU H 5.000 . 5.000 3.741 3.637 3.902 . 0 0 "[ . ]" 1
487 1 37 LEU QD 1 40 LEU H 5.000 . 5.000 4.794 4.725 4.887 . 0 0 "[ . ]" 1
488 1 39 SER HA 1 40 LEU H . . 3.500 3.527 3.518 3.537 0.037 3 0 "[ . ]" 1
489 1 40 LEU H 1 40 LEU HA 2.800 . 2.800 2.719 2.711 2.730 . 0 0 "[ . ]" 1
490 1 40 LEU H 1 40 LEU QB . . 2.800 2.348 2.262 2.420 . 0 0 "[ . ]" 1
491 1 40 LEU H 1 40 LEU QD . . 3.500 3.052 2.954 3.148 . 0 0 "[ . ]" 1
492 1 40 LEU H 1 40 LEU HG 3.500 . 3.500 2.284 2.170 2.486 . 0 0 "[ . ]" 1
493 1 41 LEU QB 1 41 LEU QD . . 2.800 1.955 1.948 1.961 . 0 0 "[ . ]" 1
494 1 41 LEU HA 1 41 LEU QB 2.800 . 2.800 2.456 2.447 2.470 . 0 0 "[ . ]" 1
495 1 34 GLY QA 1 41 LEU QD 5.000 . 5.000 6.702 6.616 6.850 1.850 2 8 [-+******] 1
496 1 37 LEU HA 1 41 LEU QD 5.000 . 5.000 5.505 5.411 5.611 0.611 2 4 "[ + *.-* ]" 1
497 1 41 LEU MD1 1 41 LEU MD2 2.800 . 2.800 2.015 1.983 2.032 . 0 0 "[ . ]" 1
498 1 41 LEU QD 1 44 TRP HA 5.000 . 5.000 4.539 4.513 4.563 . 0 0 "[ . ]" 1
499 1 41 LEU QD 1 44 TRP QB . . 3.500 1.922 1.874 1.955 . 0 0 "[ . ]" 1
500 1 41 LEU QD 1 44 TRP HD1 5.000 . 5.000 1.878 1.829 1.935 . 0 0 "[ . ]" 1
501 1 41 LEU QD 1 45 ASN HA 5.000 . 5.000 3.945 3.906 4.026 . 0 0 "[ . ]" 1
502 1 37 LEU QB 1 41 LEU HG 5.000 . 5.000 5.760 5.655 5.881 0.881 2 8 [-+******] 1
503 1 37 LEU QD 1 41 LEU HG 5.000 . 5.000 4.849 4.805 4.899 . 0 0 "[ . ]" 1
504 1 41 LEU HG 1 44 TRP QB 5.000 . 5.000 3.780 3.755 3.816 . 0 0 "[ . ]" 1
505 1 37 LEU QD 1 41 LEU H 5.000 . 5.000 4.914 4.891 4.941 . 0 0 "[ . ]" 1
506 1 38 GLU HA 1 41 LEU H 3.500 . 3.500 3.389 3.369 3.418 . 0 0 "[ . ]" 1
507 1 40 LEU QB 1 41 LEU H . . 2.800 2.206 2.123 2.291 . 0 0 "[ . ]" 1
508 1 40 LEU QD 1 41 LEU H . . 3.500 3.837 3.773 3.908 0.408 5 0 "[ . ]" 1
509 1 40 LEU HG 1 41 LEU H 5.000 . 5.000 4.289 4.180 4.430 . 0 0 "[ . ]" 1
510 1 41 LEU H 1 41 LEU QB . . 2.800 2.041 2.021 2.053 . 0 0 "[ . ]" 1
511 1 41 LEU H 1 41 LEU QD 5.000 . 5.000 3.450 3.419 3.487 . 0 0 "[ . ]" 1
512 1 42 ARG HA 1 45 ASN HB3 5.000 . 5.000 4.611 4.575 4.634 . 0 0 "[ . ]" 1
513 1 42 ARG HA 1 45 ASN HB2 5.000 . 5.000 3.056 3.019 3.082 . 0 0 "[ . ]" 1
514 1 42 ARG QD 1 46 SER QB 5.000 . 5.000 3.759 3.023 4.648 . 0 0 "[ . ]" 1
515 1 39 SER HA 1 42 ARG H 5.000 . 5.000 3.780 3.715 3.824 . 0 0 "[ . ]" 1
516 1 41 LEU QB 1 42 ARG H . . 2.800 2.382 2.355 2.399 . 0 0 "[ . ]" 1
517 1 42 ARG H 1 42 ARG QD 5.000 . 5.000 4.123 3.421 4.407 . 0 0 "[ . ]" 1
518 1 42 ARG H 1 43 ARG QG 5.000 . 5.000 4.480 4.465 4.497 . 0 0 "[ . ]" 1
519 1 43 ARG HA 1 43 ARG QB 2.800 . 2.800 2.369 2.364 2.377 . 0 0 "[ . ]" 1
520 1 43 ARG QB 1 44 TRP HA 5.000 . 5.000 3.943 3.929 3.959 . 0 0 "[ . ]" 1
521 1 39 SER HA 1 43 ARG QD 5.000 . 5.000 4.572 4.508 4.596 . 0 0 "[ . ]" 1
522 1 43 ARG HA 1 43 ARG QD 2.800 . 2.800 2.023 2.007 2.038 . 0 0 "[ . ]" 1
523 1 41 LEU QB 1 43 ARG H 5.000 . 5.000 4.121 4.110 4.134 . 0 0 "[ . ]" 1
524 1 43 ARG H 1 43 ARG HA 2.800 . 2.800 2.881 2.877 2.883 0.083 5 0 "[ . ]" 1
525 1 43 ARG H 1 43 ARG QB 2.800 . 2.800 2.450 2.429 2.460 . 0 0 "[ . ]" 1
526 1 43 ARG H 1 43 ARG QG . . 2.800 2.564 2.537 2.589 . 0 0 "[ . ]" 1
527 1 43 ARG H 1 44 TRP QB 5.000 . 5.000 3.895 3.881 3.915 . 0 0 "[ . ]" 1
528 1 44 TRP HA 1 44 TRP HE3 . . 3.500 2.258 2.176 2.347 . 0 0 "[ . ]" 1
529 1 44 TRP HA 1 47 ARG QD 5.000 . 5.000 2.624 2.382 2.941 . 0 0 "[ . ]" 1
530 1 44 TRP QB 1 44 TRP HD1 3.500 . 3.500 2.404 2.400 2.409 . 0 0 "[ . ]" 1
531 1 44 TRP QB 1 45 ASN HA 5.000 . 5.000 4.065 4.038 4.084 . 0 0 "[ . ]" 1
532 1 41 LEU QB 1 44 TRP QB 5.000 . 5.000 3.531 3.514 3.567 . 0 0 "[ . ]" 1
533 1 44 TRP HA 1 44 TRP HD1 5.000 . 5.000 4.544 4.525 4.569 . 0 0 "[ . ]" 1
534 1 44 TRP HD1 1 45 ASN HA 5.000 . 5.000 3.867 3.828 3.964 . 0 0 "[ . ]" 1
535 1 44 TRP HD1 1 48 ARG QD 5.000 . 5.000 3.654 3.280 4.535 . 0 0 "[ . ]" 1
536 1 44 TRP HD1 1 48 ARG QG 5.000 . 5.000 4.453 4.150 4.547 . 0 0 "[ . ]" 1
537 1 33 VAL HA 1 44 TRP HE1 5.000 . 5.000 17.535 17.416 17.651 12.651 2 8 [-+******] 1
538 1 37 LEU QD 1 44 TRP HE1 5.000 . 5.000 9.106 8.996 9.153 4.153 3 8 [-*+*****] 1
539 1 41 LEU QD 1 44 TRP HE1 5.000 . 5.000 3.684 3.626 3.739 . 0 0 "[ . ]" 1
540 1 44 TRP HE1 1 48 ARG QD 5.000 . 5.000 3.036 2.832 3.543 . 0 0 "[ . ]" 1
541 1 21 LEU HG 1 44 TRP HE3 5.000 . 5.000 17.881 17.697 17.988 12.988 7 8 [*****-+*] 1
542 1 25 SER QB 1 44 TRP HE3 5.000 . 5.000 21.620 21.197 21.995 16.995 7 8 [*****-+*] 1
543 1 44 TRP HE3 1 47 ARG QD 5.000 . 5.000 2.963 2.702 3.349 . 0 0 "[ . ]" 1
544 1 21 LEU QB 1 44 TRP HH2 5.000 . 5.000 17.314 17.180 17.438 12.438 7 8 [*****-+*] 1
545 1 24 LEU HA 1 44 TRP HH2 5.000 . 5.000 26.018 25.900 26.157 21.157 3 8 [**+****-] 1
546 1 21 LEU QD 1 44 TRP H 5.000 . 5.000 11.351 11.245 11.487 6.487 1 8 [+****-**] 1
547 1 41 LEU QD 1 44 TRP H 5.000 . 5.000 3.731 3.702 3.767 . 0 0 "[ . ]" 1
548 1 44 TRP H 1 44 TRP HA . . 2.800 2.823 2.817 2.829 0.029 1 0 "[ . ]" 1
549 1 44 TRP H 1 44 TRP QB . . 2.800 2.208 2.196 2.217 . 0 0 "[ . ]" 1
550 1 44 TRP H 1 44 TRP HD1 5.000 . 5.000 4.841 4.826 4.857 . 0 0 "[ . ]" 1
551 1 21 LEU QD 1 44 TRP HZ2 5.000 . 5.000 13.461 13.384 13.536 8.536 4 8 [-**+****] 1
552 1 26 ALA HA 1 44 TRP HZ2 5.000 . 5.000 25.748 25.591 25.856 20.856 4 8 [***+-***] 1
553 1 31 ASP HA 1 44 TRP HZ2 5.000 . 5.000 22.777 22.595 22.959 17.959 4 8 [-**+****] 1
554 1 44 TRP HZ2 1 48 ARG QD 5.000 . 5.000 4.123 3.647 4.451 . 0 0 "[ . ]" 1
555 1 21 LEU HA 1 44 TRP HZ3 5.000 . 5.000 20.794 20.637 20.880 15.880 1 8 [+****-**] 1
556 1 30 HIS HD2 1 44 TRP HZ3 5.000 . 5.000 25.658 25.583 25.771 20.771 2 8 [*+**-***] 1
557 1 33 VAL HB 1 44 TRP HZ3 5.000 . 5.000 20.011 19.909 20.088 15.088 2 8 [-+******] 1
558 1 45 ASN HA 1 45 ASN HB2 . . 2.800 2.992 2.989 2.993 0.193 6 0 "[ . ]" 1
559 1 45 ASN HA 1 48 ARG HB3 5.000 . 5.000 4.311 4.155 4.447 . 0 0 "[ . ]" 1
560 1 45 ASN HA 1 48 ARG HB2 5.000 . 5.000 2.981 2.788 3.066 . 0 0 "[ . ]" 1
561 1 45 ASN HA 1 48 ARG QG 5.000 . 5.000 2.653 2.020 2.829 . 0 0 "[ . ]" 1
562 1 45 ASN HA 1 48 ARG QD 5.000 . 5.000 2.207 1.630 3.781 . 0 0 "[ . ]" 1
563 1 41 LEU QD 1 45 ASN QB 5.000 . 5.000 3.477 3.413 3.514 . 0 0 "[ . ]" 1
564 1 44 TRP HD1 1 45 ASN QB 5.000 . 5.000 4.630 4.606 4.653 . 0 0 "[ . ]" 1
565 1 45 ASN QB 1 46 SER HA 5.000 . 5.000 3.905 3.864 3.925 . 0 0 "[ . ]" 1
566 1 45 ASN HB3 1 46 SER QB 5.000 . 5.000 4.855 4.800 4.951 . 0 0 "[ . ]" 1
567 1 37 LEU QD 1 45 ASN QD 5.000 . 5.000 6.990 6.916 7.086 2.086 2 8 [*+*****-] 1
568 1 41 LEU QB 1 45 ASN QD 5.000 . 5.000 1.875 1.773 1.984 . 0 0 "[ . ]" 1
569 1 41 LEU QD 1 45 ASN QD . . 3.500 1.640 1.619 1.663 . 0 0 "[ . ]" 1
570 1 34 GLY QA 1 45 ASN QD 5.000 . 5.000 9.639 9.552 9.821 4.821 2 8 [*+*-****] 1
571 1 41 LEU QD 1 45 ASN H 5.000 . 5.000 2.683 2.616 2.736 . 0 0 "[ . ]" 1
572 1 44 TRP HA 1 45 ASN H 5.000 . 5.000 3.567 3.561 3.572 . 0 0 "[ . ]" 1
573 1 44 TRP QB 1 45 ASN H . . 2.800 2.127 2.067 2.160 . 0 0 "[ . ]" 1
574 1 44 TRP HD1 1 45 ASN H 5.000 . 5.000 3.428 3.400 3.483 . 0 0 "[ . ]" 1
575 1 45 ASN H 1 45 ASN HB3 3.500 . 3.500 3.520 3.511 3.527 0.027 3 0 "[ . ]" 1
576 1 45 ASN H 1 46 SER QB 5.000 . 5.000 4.474 4.463 4.482 . 0 0 "[ . ]" 1
577 1 46 SER HA 1 46 SER QB 2.800 . 2.800 2.347 2.343 2.360 . 0 0 "[ . ]" 1
578 1 46 SER HA 1 49 ALA MB 3.500 . 3.500 2.900 2.861 2.959 . 0 0 "[ . ]" 1
579 1 44 TRP HA 1 46 SER H 5.000 . 5.000 4.321 4.229 4.443 . 0 0 "[ . ]" 1
580 1 45 ASN HA 1 46 SER H 3.500 . 3.500 3.461 3.454 3.472 . 0 0 "[ . ]" 1
581 1 46 SER H 1 46 SER HA . . 2.800 2.816 2.800 2.832 0.032 2 0 "[ . ]" 1
582 1 46 SER H 1 46 SER QB 2.800 . 2.800 2.259 2.251 2.268 . 0 0 "[ . ]" 1
583 1 47 ARG HA 1 47 ARG QB 2.800 . 2.800 2.388 2.361 2.421 . 0 0 "[ . ]" 1
584 1 47 ARG HA 1 47 ARG QD 5.000 . 5.000 4.023 4.003 4.033 . 0 0 "[ . ]" 1
585 1 25 SER QB 1 47 ARG QB 5.000 . 5.000 22.321 21.957 22.633 17.633 7 8 [*****-+*] 1
586 1 44 TRP HA 1 47 ARG QB 5.000 . 5.000 3.193 3.118 3.352 . 0 0 "[ . ]" 1
587 1 47 ARG QB 1 47 ARG QD 2.800 . 2.800 2.105 2.099 2.113 . 0 0 "[ . ]" 1
588 1 25 SER HA 1 47 ARG QD 5.000 . 5.000 22.524 22.214 22.776 17.776 1 8 [+***-***] 1
589 1 44 TRP HA 1 47 ARG QG 5.000 . 5.000 3.789 3.511 4.117 . 0 0 "[ . ]" 1
590 1 47 ARG HA 1 47 ARG QG 2.800 . 2.800 2.423 2.373 2.459 . 0 0 "[ . ]" 1
591 1 44 TRP HA 1 47 ARG H 5.000 . 5.000 3.692 3.613 3.772 . 0 0 "[ . ]" 1
592 1 45 ASN HA 1 47 ARG H 5.000 . 5.000 4.540 4.482 4.588 . 0 0 "[ . ]" 1
593 1 46 SER HA 1 47 ARG H . . 3.500 3.552 3.547 3.559 0.059 1 0 "[ . ]" 1
594 1 46 SER QB 1 47 ARG H . . 3.500 2.440 2.424 2.452 . 0 0 "[ . ]" 1
595 1 47 ARG H 1 47 ARG HA . . 2.800 2.795 2.787 2.804 0.004 1 0 "[ . ]" 1
596 1 47 ARG H 1 47 ARG QB . . 2.800 2.399 2.321 2.461 . 0 0 "[ . ]" 1
597 1 47 ARG H 1 47 ARG QD 5.000 . 5.000 3.528 3.484 3.588 . 0 0 "[ . ]" 1
598 1 47 ARG H 1 47 ARG QG . . 2.800 2.208 2.041 2.415 . 0 0 "[ . ]" 1
599 1 48 ARG HA 1 48 ARG QG 3.500 . 3.500 2.488 2.394 3.023 . 0 0 "[ . ]" 1
600 1 48 ARG HB3 1 48 ARG QD 3.500 . 3.500 2.907 2.775 2.989 . 0 0 "[ . ]" 1
601 1 48 ARG HB2 1 48 ARG QD 3.500 . 3.500 2.569 2.413 3.405 . 0 0 "[ . ]" 1
602 1 48 ARG HB2 1 48 ARG QG 2.800 . 2.800 2.315 2.154 2.371 . 0 0 "[ . ]" 1
603 1 26 ALA MB 1 48 ARG QD 5.000 . 5.000 19.698 19.334 20.984 15.984 3 8 [-*+*****] 1
604 1 48 ARG HA 1 48 ARG QD 5.000 . 5.000 3.917 1.903 4.210 . 0 0 "[ . ]" 1
605 1 45 ASN HA 1 48 ARG H 5.000 . 5.000 3.515 3.395 3.620 . 0 0 "[ . ]" 1
606 1 46 SER HA 1 48 ARG H 5.000 . 5.000 4.198 4.117 4.245 . 0 0 "[ . ]" 1
607 1 46 SER QB 1 48 ARG H 5.000 . 5.000 4.562 4.518 4.593 . 0 0 "[ . ]" 1
608 1 47 ARG HA 1 48 ARG H . . 3.500 3.495 3.489 3.499 . 0 0 "[ . ]" 1
609 1 47 ARG QB 1 48 ARG H 5.000 . 5.000 2.690 2.656 2.722 . 0 0 "[ . ]" 1
610 1 47 ARG QG 1 48 ARG H 5.000 . 5.000 4.145 4.054 4.252 . 0 0 "[ . ]" 1
611 1 48 ARG H 1 48 ARG HA . . 2.800 2.785 2.779 2.794 . 0 0 "[ . ]" 1
612 1 48 ARG H 1 48 ARG HB3 . . 3.500 3.566 3.559 3.576 0.076 2 0 "[ . ]" 1
613 1 48 ARG H 1 48 ARG HB2 3.500 . 3.500 2.453 2.419 2.522 . 0 0 "[ . ]" 1
614 1 48 ARG H 1 48 ARG QG . . 2.800 2.196 2.088 2.220 . 0 0 "[ . ]" 1
615 1 48 ARG H 1 49 ALA MB 5.000 . 5.000 4.290 4.272 4.304 . 0 0 "[ . ]" 1
616 1 46 SER QB 1 49 ALA MB 5.000 . 5.000 4.560 4.549 4.577 . 0 0 "[ . ]" 1
617 1 48 ARG HB3 1 49 ALA H 3.500 . 3.500 3.280 3.268 3.302 . 0 0 "[ . ]" 1
618 1 48 ARG HB2 1 49 ALA H . . 2.800 2.260 2.168 2.314 . 0 0 "[ . ]" 1
619 1 48 ARG QD 1 49 ALA H 5.000 . 5.000 4.531 4.504 4.624 . 0 0 "[ . ]" 1
620 1 49 ALA H 1 49 ALA MB 2.800 . 2.800 2.117 2.107 2.143 . 0 0 "[ . ]" 1
621 1 47 ARG HA 1 50 ASP H 3.500 . 3.500 3.228 3.216 3.253 . 0 0 "[ . ]" 1
622 1 49 ALA MB 1 50 ASP H 3.500 . 3.500 2.715 2.634 2.763 . 0 0 "[ . ]" 1
623 1 51 ALA HA 1 52 PRO HD3 3.500 . 3.500 2.337 1.856 3.137 . 0 0 "[ . ]" 1
624 1 51 ALA HA 1 52 PRO HD2 3.500 . 3.500 2.262 1.945 2.672 . 0 0 "[ . ]" 1
625 1 51 ALA MB 1 52 PRO HD3 5.000 . 5.000 3.692 3.346 4.174 . 0 0 "[ . ]" 1
626 1 51 ALA MB 1 52 PRO HD2 5.000 . 5.000 2.927 2.605 3.868 . 0 0 "[ . ]" 1
627 1 50 ASP HA 1 51 ALA H 3.500 . 3.500 2.638 2.298 2.833 . 0 0 "[ . ]" 1
628 1 51 ALA H 1 51 ALA HA . . 2.800 2.818 2.774 2.854 0.054 1 0 "[ . ]" 1
629 1 51 ALA H 1 51 ALA MB . . 2.800 2.629 2.029 2.863 0.063 2 0 "[ . ]" 1
630 1 51 ALA H 1 52 PRO HD3 5.000 . 5.000 4.210 2.349 5.010 0.010 7 0 "[ . ]" 1
631 1 52 PRO HA 1 52 PRO HB3 2.800 . 2.800 2.289 2.279 2.310 . 0 0 "[ . ]" 1
632 1 52 PRO HD3 1 52 PRO QG 2.800 . 2.800 2.225 2.186 2.252 . 0 0 "[ . ]" 1
633 1 51 ALA HA 1 52 PRO QG 5.000 . 5.000 3.854 3.735 4.035 . 0 0 "[ . ]" 1
634 1 52 PRO HA 1 53 SER H . . 3.500 2.709 2.156 3.556 0.056 8 0 "[ . ]" 1
635 1 57 ILE HA 1 57 ILE MD 3.500 . 3.500 2.754 1.999 3.663 0.163 8 0 "[ . ]" 1
636 1 57 ILE HA 1 57 ILE MG 3.500 . 3.500 2.769 2.131 3.200 . 0 0 "[ . ]" 1
637 1 57 ILE HB 1 57 ILE MD 3.500 . 3.500 2.682 2.246 3.215 . 0 0 "[ . ]" 1
638 1 59 GLU HA 1 59 GLU QG 3.500 . 3.500 2.729 2.433 3.321 . 0 0 "[ . ]" 1
639 1 59 GLU HA 1 60 ASP H . . 2.800 2.251 2.174 2.748 . 0 0 "[ . ]" 1
640 2 2 SER H 2 2 SER QB . . 3.500 2.692 2.259 2.990 . 0 0 "[ . ]" 1
641 2 2 SER HA 2 3 ALA MB 5.000 . 5.000 4.204 3.777 5.013 0.013 7 0 "[ . ]" 1
642 2 2 SER HA 2 3 ALA H . . 2.800 2.847 2.167 3.545 0.745 7 2 "[ . +-]" 1
643 2 2 SER QB 2 3 ALA H . . 2.800 3.233 1.751 3.965 1.165 5 5 "[-** +* ]" 1
644 2 3 ALA H 2 3 ALA HA . . 2.800 2.744 2.273 2.827 0.027 8 0 "[ . ]" 1
645 2 3 ALA H 2 3 ALA MB . . 3.500 2.486 2.033 2.879 . 0 0 "[ . ]" 1
646 2 2 SER QB 2 4 ALA H 5.000 . 5.000 5.478 4.546 6.850 1.850 3 3 "[- + * ]" 1
647 2 3 ALA HA 2 4 ALA H . . 3.500 2.651 2.168 3.552 0.052 7 0 "[ . ]" 1
648 2 3 ALA MB 2 4 ALA H . . 3.500 2.716 1.681 3.702 0.202 8 0 "[ . ]" 1
649 2 4 ALA H 2 4 ALA MB . . 2.800 2.441 2.058 2.891 0.091 1 0 "[ . ]" 1
650 2 4 ALA HA 2 5 SER HA 5.000 . 5.000 4.740 4.447 5.350 0.350 3 0 "[ . ]" 1
651 2 5 SER HA 2 5 SER QB 2.800 . 2.800 2.318 2.190 2.384 . 0 0 "[ . ]" 1
652 2 4 ALA HA 2 5 SER H 5.000 . 5.000 2.732 2.174 3.545 . 0 0 "[ . ]" 1
653 2 4 ALA MB 2 5 SER H 5.000 . 5.000 2.824 1.776 3.699 . 0 0 "[ . ]" 1
654 2 5 SER H 2 5 SER HA 2.800 . 2.800 2.681 2.268 2.831 0.031 2 0 "[ . ]" 1
655 2 5 SER H 2 5 SER QB . . 2.800 2.961 2.257 3.362 0.562 1 4 "[+ - * * ]" 1
656 2 7 ALA HA 2 36 ARG HE 5.000 . 5.000 19.598 18.612 19.933 14.933 5 8 [****+*-*] 1
657 2 4 ALA HA 2 7 ALA MB 5.000 . 5.000 8.021 5.576 9.362 4.362 5 8 [****+-**] 1
658 2 6 PRO HB3 2 7 ALA MB 5.000 . 5.000 4.415 4.071 4.676 . 0 0 "[ . ]" 1
659 2 7 ALA MB 2 36 ARG HE 5.000 . 5.000 17.610 16.644 18.081 13.081 1 8 [+*****-*] 1
660 2 4 ALA HA 2 7 ALA H . . 2.800 8.453 7.310 9.284 6.484 5 8 [****+-**] 1
661 2 6 PRO HB3 2 7 ALA H 5.000 . 5.000 3.106 2.520 3.687 . 0 0 "[ . ]" 1
662 2 7 ALA H 2 7 ALA MB . . 3.500 2.853 2.751 2.922 . 0 0 "[ . ]" 1
663 2 7 ALA MB 2 8 VAL HA 5.000 . 5.000 4.182 4.140 4.215 . 0 0 "[ . ]" 1
664 2 8 VAL HA 2 8 VAL HB . . 2.800 2.560 2.476 3.028 0.228 2 0 "[ . ]" 1
665 2 4 ALA MB 2 8 VAL HB 5.000 . 5.000 6.769 5.761 8.663 3.663 2 8 [*+***-**] 1
666 2 7 ALA MB 2 8 VAL H 5.000 . 5.000 3.654 3.633 3.670 . 0 0 "[ . ]" 1
667 2 8 VAL H 2 8 VAL HB . . 2.800 2.565 2.479 2.592 . 0 0 "[ . ]" 1
668 2 8 VAL HB 2 9 ASP QB 5.000 . 5.000 5.362 4.594 5.554 0.554 7 5 "[- *.*+*]" 1
669 2 8 VAL HA 2 9 ASP H 5.000 . 5.000 2.565 2.466 2.613 . 0 0 "[ . ]" 1
670 2 8 VAL HB 2 9 ASP H . . 2.800 4.599 4.445 4.632 1.832 1 8 [+-******] 1
671 2 9 ASP H 2 9 ASP HA 2.800 . 2.800 2.279 2.272 2.290 . 0 0 "[ . ]" 1
672 2 9 ASP H 2 9 ASP QB . . 2.800 3.339 3.093 3.429 0.629 6 6 "[*- *.+**]" 1
673 2 10 ILE HA 2 13 ARG HB2 5.000 . 5.000 3.592 3.180 4.091 . 0 0 "[ . ]" 1
674 2 10 ILE HA 2 13 ARG HB3 5.000 . 5.000 5.124 4.556 5.596 0.596 2 1 "[ + . ]" 1
675 2 9 ASP QB 2 10 ILE H . . 3.500 3.274 3.185 3.376 . 0 0 "[ . ]" 1
676 2 10 ILE H 2 10 ILE MD 5.000 . 5.000 3.349 3.307 3.433 . 0 0 "[ . ]" 1
677 2 10 ILE H 2 36 ARG HE 5.000 . 5.000 20.012 19.306 20.388 15.388 2 8 [*+****-*] 1
678 2 8 VAL HA 2 11 GLY H 5.000 . 5.000 6.829 6.699 7.130 2.130 2 8 [*+-*****] 1
679 2 10 ILE HA 2 11 GLY H 5.000 . 5.000 3.562 3.540 3.602 . 0 0 "[ . ]" 1
680 2 10 ILE MD 2 11 GLY H 5.000 . 5.000 4.671 4.596 4.721 . 0 0 "[ . ]" 1
681 2 11 GLY H 2 36 ARG HE 5.000 . 5.000 20.818 20.341 21.058 16.058 5 8 [****+*-*] 1
682 2 8 VAL HA 2 12 ASP H 5.000 . 5.000 6.137 6.010 6.306 1.306 2 8 [*+-*****] 1
683 2 12 ASP H 2 12 ASP HA . . 2.800 2.796 2.754 2.824 0.024 3 0 "[ . ]" 1
684 2 12 ASP H 2 12 ASP HB2 2.800 . 2.800 2.491 2.430 2.548 . 0 0 "[ . ]" 1
685 2 12 ASP H 2 13 ARG HB2 5.000 . 5.000 5.010 4.868 5.277 0.277 2 0 "[ . ]" 1
686 2 13 ARG QB 2 14 LEU QD 5.000 . 5.000 3.296 2.194 4.027 . 0 0 "[ . ]" 1
687 2 13 ARG HB2 2 14 LEU HA 5.000 . 5.000 4.163 4.052 4.470 . 0 0 "[ . ]" 1
688 2 13 ARG HB3 2 14 LEU HA 5.000 . 5.000 4.494 4.390 4.615 . 0 0 "[ . ]" 1
689 2 10 ILE HA 2 13 ARG HD3 5.000 . 5.000 5.047 3.953 5.563 0.563 8 1 "[ . +]" 1
690 2 10 ILE HA 2 13 ARG HD2 5.000 . 5.000 4.471 3.579 5.393 0.393 2 0 "[ . ]" 1
691 2 10 ILE HA 2 13 ARG H 5.000 . 5.000 3.691 3.364 3.888 . 0 0 "[ . ]" 1
692 2 12 ASP HA 2 13 ARG H 3.500 . 3.500 3.556 3.534 3.574 0.074 8 0 "[ . ]" 1
693 2 13 ARG H 2 13 ARG HA . . 2.800 2.820 2.799 2.842 0.042 2 0 "[ . ]" 1
694 2 13 ARG H 2 13 ARG HB2 . . 2.800 2.572 2.390 2.691 . 0 0 "[ . ]" 1
695 2 13 ARG H 2 13 ARG HB3 . . 3.500 3.591 3.577 3.611 0.111 2 0 "[ . ]" 1
696 2 14 LEU HA 2 14 LEU QD . . 2.800 2.168 1.656 2.523 . 0 0 "[ . ]" 1
697 2 10 ILE HA 2 14 LEU QD 5.000 . 5.000 3.650 3.375 3.879 . 0 0 "[ . ]" 1
698 2 13 ARG HB2 2 14 LEU QD 5.000 . 5.000 3.426 2.226 4.300 . 0 0 "[ . ]" 1
699 2 13 ARG HB3 2 14 LEU QD 5.000 . 5.000 4.349 3.326 4.913 . 0 0 "[ . ]" 1
700 2 12 ASP HA 2 14 LEU H 5.000 . 5.000 4.539 4.417 4.676 . 0 0 "[ . ]" 1
701 2 13 ARG HA 2 14 LEU H 5.000 . 5.000 3.530 3.503 3.572 . 0 0 "[ . ]" 1
702 2 13 ARG HB2 2 14 LEU H 5.000 . 5.000 2.502 2.312 2.800 . 0 0 "[ . ]" 1
703 2 13 ARG HB3 2 14 LEU H . . 3.500 3.642 3.540 3.764 0.264 2 0 "[ . ]" 1
704 2 14 LEU H 2 14 LEU HB2 . . 3.500 2.345 2.272 2.463 . 0 0 "[ . ]" 1
705 2 14 LEU H 2 14 LEU QD . . 3.500 2.587 1.828 3.181 . 0 0 "[ . ]" 1
706 2 13 ARG HB2 2 15 ASP H 5.000 . 5.000 5.018 4.850 5.250 0.250 8 0 "[ . ]" 1
707 2 14 LEU HA 2 15 ASP H 5.000 . 5.000 3.540 3.532 3.547 . 0 0 "[ . ]" 1
708 2 14 LEU HB3 2 15 ASP H 5.000 . 5.000 3.389 3.235 3.504 . 0 0 "[ . ]" 1
709 2 14 LEU HB2 2 15 ASP H 5.000 . 5.000 2.563 2.509 2.692 . 0 0 "[ . ]" 1
710 2 17 LEU H 2 17 LEU HA 2.800 . 2.800 2.808 2.779 2.820 0.020 5 0 "[ . ]" 1
711 2 18 GLU HA 2 18 GLU HB3 2.800 . 2.800 3.008 2.997 3.019 0.219 1 0 "[ . ]" 1
712 2 17 LEU HA 2 18 GLU QG 5.000 . 5.000 6.458 6.380 6.721 1.721 1 8 [+******-] 1
713 2 18 GLU HA 2 18 GLU QG 3.500 . 3.500 2.418 2.324 2.909 . 0 0 "[ . ]" 1
714 2 17 LEU HA 2 18 GLU H 2.800 . 2.800 3.545 3.519 3.562 0.762 2 8 [*+-*****] 1
715 2 18 GLU H 2 18 GLU HA 2.800 . 2.800 2.827 2.816 2.843 0.043 3 0 "[ . ]" 1
716 2 18 GLU H 2 18 GLU QG . . 2.800 3.923 3.872 4.044 1.244 1 8 [+******-] 1
717 2 19 LYS HA 2 19 LYS HB3 2.800 . 2.800 2.524 2.426 2.806 0.006 8 0 "[ . ]" 1
718 2 19 LYS H 2 19 LYS HB3 . . 3.500 3.553 3.370 3.589 0.089 6 0 "[ . ]" 1
719 2 19 LYS H 2 19 LYS HB2 . . 3.500 2.489 2.077 2.655 . 0 0 "[ . ]" 1
720 2 19 LYS HB2 2 20 ALA HA 5.000 . 5.000 4.369 4.147 4.970 . 0 0 "[ . ]" 1
721 2 19 LYS HB2 2 20 ALA MB 5.000 . 5.000 3.989 3.837 4.368 . 0 0 "[ . ]" 1
722 2 18 GLU HA 2 20 ALA H 5.000 . 5.000 4.135 4.103 4.196 . 0 0 "[ . ]" 1
723 2 19 LYS HA 2 20 ALA H 3.500 . 3.500 3.491 3.474 3.513 0.013 2 0 "[ . ]" 1
724 2 19 LYS HB3 2 20 ALA H 3.500 . 3.500 3.654 3.049 3.847 0.347 6 0 "[ . ]" 1
725 2 20 ALA H 2 20 ALA MB 3.500 . 3.500 2.140 2.061 2.187 . 0 0 "[ . ]" 1
726 2 21 LEU HA 2 21 LEU QD 3.500 . 3.500 2.154 1.814 2.574 . 0 0 "[ . ]" 1
727 2 21 LEU H 2 21 LEU HB3 3.500 . 3.500 3.613 3.542 3.642 0.142 3 0 "[ . ]" 1
728 2 21 LEU H 2 21 LEU HB2 3.500 . 3.500 2.548 2.265 2.661 . 0 0 "[ . ]" 1
729 2 21 LEU H 2 21 LEU QD 3.500 . 3.500 2.057 1.866 2.274 . 0 0 "[ . ]" 1
730 2 21 LEU HB3 2 23 ALA H 5.000 . 5.000 5.243 5.169 5.379 0.379 4 0 "[ . ]" 1
731 2 23 ALA H 2 23 ALA HA . . 2.800 2.872 2.858 2.902 0.102 1 0 "[ . ]" 1
732 2 23 ALA HA 2 24 LEU H . . 2.800 3.540 3.495 3.562 0.762 6 8 [-****+**] 1
733 2 25 SER H 2 25 SER QB . . 2.800 2.391 2.368 2.415 . 0 0 "[ . ]" 1
734 2 25 SER HA 2 26 ALA H 2.800 . 2.800 2.276 2.245 2.306 . 0 0 "[ . ]" 1
735 2 27 GLU H 2 27 GLU HA . . 2.800 2.839 2.808 2.866 0.066 4 0 "[ . ]" 1
736 2 27 GLU HA 2 28 ASP H . . 2.800 3.518 3.497 3.537 0.737 5 8 [***-+***] 1
737 2 28 ASP H 2 28 ASP HA . . 2.800 2.894 2.870 2.914 0.114 4 0 "[ . ]" 1
738 2 28 ASP H 2 28 ASP QB . . 3.500 2.779 2.727 2.837 . 0 0 "[ . ]" 1
739 2 28 ASP HA 2 29 GLY H . . 2.800 2.600 2.556 2.637 . 0 0 "[ . ]" 1
740 2 30 HIS H 2 30 HIS QB . . 3.500 2.245 2.226 2.258 . 0 0 "[ . ]" 1
741 2 28 ASP QB 2 31 ASP H 5.000 . 5.000 6.654 6.578 6.767 1.767 2 8 [*+*-****] 1
742 2 30 HIS HA 2 31 ASP H 5.000 . 5.000 2.829 2.798 2.867 . 0 0 "[ . ]" 1
743 2 32 ASP HA 2 36 ARG QD 5.000 . 5.000 5.633 5.373 5.937 0.937 2 7 "[*+*-*** ]" 1
744 2 32 ASP HA 2 36 ARG HE 5.000 . 5.000 5.465 4.845 6.502 1.502 7 4 "[ * *.-+ ]" 1
745 2 32 ASP QB 2 36 ARG QD 5.000 . 5.000 5.043 4.094 6.027 1.027 2 2 "[ + - ]" 1
746 2 32 ASP QB 2 36 ARG HE 5.000 . 5.000 4.377 3.449 6.083 1.083 2 1 "[ + . ]" 1
747 2 32 ASP H 2 32 ASP HA . . 2.800 2.775 2.764 2.787 . 0 0 "[ . ]" 1
748 2 32 ASP H 2 32 ASP QB . . 2.800 2.411 2.249 2.552 . 0 0 "[ . ]" 1
749 2 33 VAL HA 2 37 LEU HB2 5.000 . 5.000 4.354 4.253 4.454 . 0 0 "[ . ]" 1
750 2 33 VAL HA 2 37 LEU QD 5.000 . 5.000 5.023 4.854 5.182 0.182 1 0 "[ . ]" 1
751 2 30 HIS HA 2 33 VAL H 5.000 . 5.000 3.794 3.763 3.836 . 0 0 "[ . ]" 1
752 2 32 ASP HA 2 33 VAL H 5.000 . 5.000 3.547 3.528 3.554 . 0 0 "[ . ]" 1
753 2 32 ASP QB 2 33 VAL H 5.000 . 5.000 2.673 2.537 3.476 . 0 0 "[ . ]" 1
754 2 32 ASP HA 2 34 GLY H 5.000 . 5.000 4.155 4.043 4.270 . 0 0 "[ . ]" 1
755 2 34 GLY H 2 36 ARG QD 5.000 . 5.000 6.723 6.239 7.092 2.092 2 8 [*+*****-] 1
756 2 35 GLN QB 2 36 ARG HE 5.000 . 5.000 5.395 4.390 6.552 1.552 8 2 "[ . -+]" 1
757 2 35 GLN QG 2 36 ARG QD 5.000 . 5.000 4.447 2.824 5.950 0.950 2 3 "[ +- .* ]" 1
758 2 35 GLN QG 2 36 ARG QB 5.000 . 5.000 4.612 3.524 5.834 0.834 3 2 "[ -+ . ]" 1
759 2 35 GLN H 2 35 GLN QG . . 2.800 2.891 2.186 4.043 1.243 6 3 "[ *.+- ]" 1
760 2 35 GLN H 2 36 ARG QB 5.000 . 5.000 4.696 4.584 4.752 . 0 0 "[ . ]" 1
761 2 36 ARG HA 2 36 ARG QD 5.000 . 5.000 2.774 2.027 3.995 . 0 0 "[ . ]" 1
762 2 10 ILE MD 2 36 ARG QB 5.000 . 5.000 10.319 10.088 10.530 5.530 2 8 [*+****-*] 1
763 2 36 ARG QB 2 36 ARG HE 5.000 . 5.000 4.144 4.029 4.402 . 0 0 "[ . ]" 1
764 2 36 ARG QB 2 37 LEU QD . . 3.500 4.579 4.234 4.781 1.281 8 8 [****-**+] 1
765 2 7 ALA HA 2 36 ARG QD 5.000 . 5.000 15.583 15.379 15.768 10.768 5 8 [***-+***] 1
766 2 7 ALA MB 2 36 ARG QD 5.000 . 5.000 14.174 13.928 14.399 9.399 1 8 [+*****-*] 1
767 2 10 ILE MD 2 36 ARG QD 5.000 . 5.000 11.196 10.998 11.357 6.357 3 8 [**+***-*] 1
768 2 36 ARG QD 2 36 ARG HE 2.800 . 2.800 2.298 2.176 2.491 . 0 0 "[ . ]" 1
769 2 36 ARG HA 2 36 ARG HE 5.000 . 5.000 5.045 4.247 5.854 0.854 8 3 "[ *.- +]" 1
770 2 32 ASP HA 2 36 ARG H 5.000 . 5.000 4.195 4.075 4.247 . 0 0 "[ . ]" 1
771 2 33 VAL HA 2 36 ARG H 5.000 . 5.000 3.594 3.478 3.765 . 0 0 "[ . ]" 1
772 2 35 GLN QG 2 36 ARG H 5.000 . 5.000 3.104 2.049 4.025 . 0 0 "[ . ]" 1
773 2 36 ARG H 2 36 ARG QB . . 3.500 2.441 2.408 2.474 . 0 0 "[ . ]" 1
774 2 36 ARG H 2 36 ARG QD . . 3.500 3.655 3.401 3.910 0.410 8 0 "[ . ]" 1
775 2 36 ARG H 2 36 ARG HE 5.000 . 5.000 5.032 4.521 5.590 0.590 7 1 "[ . + ]" 1
776 2 36 ARG H 2 39 SER QB 5.000 . 5.000 4.693 4.470 5.197 0.197 1 0 "[ . ]" 1
777 2 37 LEU HA 2 37 LEU QD . . 2.800 2.108 1.797 2.257 . 0 0 "[ . ]" 1
778 2 37 LEU QD 2 40 LEU HA 5.000 . 5.000 5.656 5.414 5.977 0.977 1 6 "[+-* *** ]" 1
779 2 33 VAL HA 2 37 LEU H 5.000 . 5.000 3.810 3.742 3.859 . 0 0 "[ . ]" 1
780 2 36 ARG HA 2 37 LEU H 5.000 . 5.000 3.537 3.527 3.545 . 0 0 "[ . ]" 1
781 2 36 ARG QB 2 37 LEU H 5.000 . 5.000 2.346 2.135 2.461 . 0 0 "[ . ]" 1
782 2 36 ARG QD 2 37 LEU H 5.000 . 5.000 4.688 4.591 4.782 . 0 0 "[ . ]" 1
783 2 37 LEU H 2 37 LEU HB2 . . 3.500 2.136 2.033 2.361 . 0 0 "[ . ]" 1
784 2 37 LEU H 2 37 LEU HB3 . . 2.800 2.906 2.626 3.039 0.239 7 0 "[ . ]" 1
785 2 37 LEU H 2 37 LEU QD . . 3.500 3.656 3.513 3.728 0.228 8 0 "[ . ]" 1
786 2 37 LEU H 2 37 LEU HG 5.000 . 5.000 4.111 3.871 4.554 . 0 0 "[ . ]" 1
787 2 37 LEU HA 2 38 GLU H 5.000 . 5.000 3.521 3.506 3.536 . 0 0 "[ . ]" 1
788 2 37 LEU HB2 2 38 GLU H 5.000 . 5.000 3.463 3.266 3.784 . 0 0 "[ . ]" 1
789 2 37 LEU HB3 2 38 GLU H 5.000 . 5.000 2.602 2.529 2.678 . 0 0 "[ . ]" 1
790 2 37 LEU QD 2 38 GLU H 5.000 . 5.000 3.773 3.643 4.086 . 0 0 "[ . ]" 1
791 2 37 LEU HG 2 38 GLU H 5.000 . 5.000 4.833 4.105 5.106 0.106 1 0 "[ . ]" 1
792 2 38 GLU H 2 38 GLU HA . . 2.800 2.840 2.826 2.862 0.062 5 0 "[ . ]" 1
793 2 39 SER HA 2 39 SER QB 2.800 . 2.800 2.344 2.189 2.391 . 0 0 "[ . ]" 1
794 2 39 SER HA 2 40 LEU HA 5.000 . 5.000 4.854 4.811 4.878 . 0 0 "[ . ]" 1
795 2 36 ARG HA 2 39 SER QB 5.000 . 5.000 2.604 2.276 3.538 . 0 0 "[ . ]" 1
796 2 36 ARG HA 2 39 SER H 5.000 . 5.000 3.381 3.222 3.591 . 0 0 "[ . ]" 1
797 2 38 GLU HA 2 39 SER H 5.000 . 5.000 3.530 3.509 3.556 . 0 0 "[ . ]" 1
798 2 39 SER H 2 39 SER QB . . 2.800 2.318 2.252 2.531 . 0 0 "[ . ]" 1
799 2 40 LEU HA 2 44 TRP HD1 5.000 . 5.000 7.253 7.138 7.483 2.483 1 8 [+*****-*] 1
800 2 36 ARG HA 2 40 LEU H 5.000 . 5.000 4.124 3.970 4.374 . 0 0 "[ . ]" 1
801 2 37 LEU HA 2 40 LEU H 5.000 . 5.000 3.630 3.516 3.891 . 0 0 "[ . ]" 1
802 2 39 SER QB 2 40 LEU H . . 2.800 2.736 2.541 3.382 0.582 1 1 "[+ . ]" 1
803 2 40 LEU H 2 40 LEU HA . . 2.800 2.784 2.773 2.806 0.006 1 0 "[ . ]" 1
804 2 41 LEU HA 2 44 TRP QB 5.000 . 5.000 1.754 1.658 1.949 . 0 0 "[ . ]" 1
805 2 41 LEU HA 2 44 TRP HD1 5.000 . 5.000 3.221 3.157 3.281 . 0 0 "[ . ]" 1
806 2 37 LEU QD 2 41 LEU H 3.500 . 3.500 4.179 3.806 4.869 1.369 5 5 "[ - +***]" 1
807 2 40 LEU HA 2 41 LEU H . . 3.500 3.544 3.528 3.555 0.055 2 0 "[ . ]" 1
808 2 42 ARG HA 2 42 ARG QG 3.500 . 3.500 2.794 2.367 3.009 . 0 0 "[ . ]" 1
809 2 42 ARG HA 2 45 ASN QB 5.000 . 5.000 3.520 3.224 3.692 . 0 0 "[ . ]" 1
810 2 42 ARG QG 2 43 ARG HA 5.000 . 5.000 4.601 3.618 5.919 0.919 8 2 "[- . +]" 1
811 2 42 ARG QG 2 45 ASN QB 5.000 . 5.000 5.420 5.064 5.689 0.689 8 4 "[ * -* +]" 1
812 2 41 LEU HA 2 42 ARG H 5.000 . 5.000 3.559 3.540 3.573 . 0 0 "[ . ]" 1
813 2 42 ARG H 2 42 ARG QG . . 3.500 3.616 2.285 4.074 0.574 2 4 "[ +-** ]" 1
814 2 40 LEU HA 2 43 ARG QB 5.000 . 5.000 3.377 3.128 3.523 . 0 0 "[ . ]" 1
815 2 14 LEU QD 2 43 ARG QB 5.000 . 5.000 7.871 7.713 8.013 3.013 5 8 [***-+***] 1
816 2 43 ARG QG 2 44 TRP HD1 5.000 . 5.000 8.335 8.301 8.378 3.378 2 8 [*+*-****] 1
817 2 14 LEU QD 2 43 ARG QG 5.000 . 5.000 8.652 8.439 8.845 3.845 5 8 [***-+***] 1
818 2 40 LEU HA 2 43 ARG H 5.000 . 5.000 3.989 3.823 4.092 . 0 0 "[ . ]" 1
819 2 43 ARG H 2 43 ARG HA 2.800 . 2.800 2.891 2.854 2.910 0.110 8 0 "[ . ]" 1
820 2 43 ARG H 2 43 ARG QB 3.500 . 3.500 2.475 2.452 2.489 . 0 0 "[ . ]" 1
821 2 43 ARG H 2 43 ARG QG . . 3.500 2.297 2.183 2.399 . 0 0 "[ . ]" 1
822 2 43 ARG H 2 44 TRP HD1 5.000 . 5.000 6.884 6.777 6.989 1.989 3 8 [**+****-] 1
823 2 43 ARG H 2 46 SER QB 5.000 . 5.000 4.558 4.484 4.867 . 0 0 "[ . ]" 1
824 2 44 TRP HA 2 44 TRP HD1 5.000 . 5.000 4.752 4.726 4.771 . 0 0 "[ . ]" 1
825 2 44 TRP HA 2 47 ARG QG 3.500 . 3.500 3.795 3.519 4.153 0.653 8 2 "[ .- +]" 1
826 2 44 TRP HA 2 48 ARG QG 5.000 . 5.000 4.355 4.243 4.489 . 0 0 "[ . ]" 1
827 2 44 TRP QB 2 44 TRP HD1 3.500 . 3.500 2.490 2.481 2.496 . 0 0 "[ . ]" 1
828 2 44 TRP QB 2 48 ARG QG 5.000 . 5.000 4.736 4.646 4.822 . 0 0 "[ . ]" 1
829 2 43 ARG QB 2 44 TRP HD1 3.500 . 3.500 7.042 7.025 7.080 3.580 2 8 [*+*****-] 1
830 2 41 LEU HA 2 44 TRP H 5.000 . 5.000 2.995 2.877 3.235 . 0 0 "[ . ]" 1
831 2 43 ARG HA 2 44 TRP H 5.000 . 5.000 3.511 3.494 3.521 . 0 0 "[ . ]" 1
832 2 43 ARG QB 2 44 TRP H 5.000 . 5.000 2.589 2.562 2.621 . 0 0 "[ . ]" 1
833 2 43 ARG QG 2 44 TRP H 5.000 . 5.000 3.934 3.901 3.956 . 0 0 "[ . ]" 1
834 2 44 TRP H 2 44 TRP HD1 5.000 . 5.000 5.018 4.985 5.041 0.041 6 0 "[ . ]" 1
835 2 44 TRP H 2 46 SER QB 5.000 . 5.000 4.646 4.585 4.846 . 0 0 "[ . ]" 1
836 2 44 TRP H 2 47 ARG QG 5.000 . 5.000 4.913 4.731 5.180 0.180 6 0 "[ . ]" 1
837 2 42 ARG HA 2 45 ASN HA 5.000 . 5.000 6.273 5.936 6.431 1.431 2 8 [-+******] 1
838 2 44 TRP HD1 2 45 ASN QB 5.000 . 5.000 5.014 4.938 5.108 0.108 4 0 "[ . ]" 1
839 2 45 ASN QB 2 46 SER HA 5.000 . 5.000 3.868 3.853 3.884 . 0 0 "[ . ]" 1
840 2 45 ASN QB 2 49 ALA MB 5.000 . 5.000 4.723 4.561 4.864 . 0 0 "[ . ]" 1
841 2 41 LEU HA 2 45 ASN H 5.000 . 5.000 3.189 2.960 3.614 . 0 0 "[ . ]" 1
842 2 42 ARG HA 2 45 ASN H 5.000 . 5.000 4.135 3.744 4.313 . 0 0 "[ . ]" 1
843 2 44 TRP HA 2 45 ASN H 5.000 . 5.000 3.563 3.561 3.566 . 0 0 "[ . ]" 1
844 2 44 TRP QB 2 45 ASN H . . 3.500 2.207 2.118 2.318 . 0 0 "[ . ]" 1
845 2 45 ASN H 2 45 ASN QB . . 2.800 2.433 2.398 2.459 . 0 0 "[ . ]" 1
846 2 45 ASN H 2 46 SER QB 5.000 . 5.000 4.454 4.337 4.683 . 0 0 "[ . ]" 1
847 2 46 SER HA 2 46 SER QB 2.800 . 2.800 2.359 2.351 2.404 . 0 0 "[ . ]" 1
848 2 46 SER HA 2 49 ALA MB 3.500 . 3.500 2.983 2.935 3.070 . 0 0 "[ . ]" 1
849 2 42 ARG QG 2 46 SER H 5.000 . 5.000 5.439 4.691 6.338 1.338 8 3 "[* . -+]" 1
850 2 45 ASN HA 2 46 SER H 5.000 . 5.000 3.540 3.527 3.550 . 0 0 "[ . ]" 1
851 2 45 ASN QB 2 46 SER H 5.000 . 5.000 2.583 2.550 2.639 . 0 0 "[ . ]" 1
852 2 46 SER H 2 46 SER HA . . 2.800 2.775 2.764 2.783 . 0 0 "[ . ]" 1
853 2 46 SER H 2 46 SER QB 2.800 . 2.800 2.284 2.262 2.425 . 0 0 "[ . ]" 1
854 2 46 SER H 2 47 ARG QG 5.000 . 5.000 4.463 4.291 4.708 . 0 0 "[ . ]" 1
855 2 46 SER H 2 48 ARG QG 5.000 . 5.000 4.804 4.514 4.902 . 0 0 "[ . ]" 1
856 2 46 SER H 2 49 ALA MB 5.000 . 5.000 5.124 5.047 5.216 0.216 3 0 "[ . ]" 1
857 2 47 ARG HA 2 47 ARG QG 3.500 . 3.500 2.420 2.368 2.463 . 0 0 "[ . ]" 1
858 2 46 SER HA 2 47 ARG QG 5.000 . 5.000 5.191 5.113 5.295 0.295 8 0 "[ . ]" 1
859 2 46 SER QB 2 47 ARG QG 5.000 . 5.000 3.241 3.170 3.325 . 0 0 "[ . ]" 1
860 2 47 ARG QG 2 48 ARG HA 5.000 . 5.000 5.794 5.779 5.808 0.808 6 8 [**-**+**] 1
861 2 47 ARG QG 2 48 ARG QG 5.000 . 5.000 5.141 5.036 5.264 0.264 6 0 "[ . ]" 1
862 2 44 TRP HA 2 47 ARG H 5.000 . 5.000 3.897 3.777 3.977 . 0 0 "[ . ]" 1
863 2 46 SER HA 2 47 ARG H 5.000 . 5.000 3.543 3.532 3.551 . 0 0 "[ . ]" 1
864 2 46 SER QB 2 47 ARG H 2.800 . 2.800 2.497 2.446 2.527 . 0 0 "[ . ]" 1
865 2 47 ARG H 2 47 ARG QG . . 2.800 2.232 2.124 2.388 . 0 0 "[ . ]" 1
866 2 48 ARG HA 2 48 ARG QG 3.500 . 3.500 2.515 2.426 2.973 . 0 0 "[ . ]" 1
867 2 48 ARG HA 2 49 ALA MB 5.000 . 5.000 5.027 5.023 5.034 0.034 2 0 "[ . ]" 1
868 2 48 ARG HA 2 51 ALA MB 5.000 . 5.000 4.998 3.307 7.732 2.732 2 2 "[ +- . ]" 1
869 2 45 ASN HA 2 48 ARG QG 5.000 . 5.000 2.431 2.004 2.560 . 0 0 "[ . ]" 1
870 2 45 ASN HA 2 48 ARG H 5.000 . 5.000 3.277 3.167 3.380 . 0 0 "[ . ]" 1
871 2 46 SER HA 2 48 ARG H 5.000 . 5.000 4.293 4.220 4.359 . 0 0 "[ . ]" 1
872 2 46 SER QB 2 48 ARG H 5.000 . 5.000 4.638 4.578 4.688 . 0 0 "[ . ]" 1
873 2 47 ARG HA 2 48 ARG H 5.000 . 5.000 3.520 3.512 3.530 . 0 0 "[ . ]" 1
874 2 47 ARG QG 2 48 ARG H . . 3.500 4.128 4.037 4.239 0.739 8 8 [**-****+] 1
875 2 48 ARG H 2 48 ARG QG . . 3.500 2.110 2.022 2.132 . 0 0 "[ . ]" 1
876 2 48 ARG H 2 49 ALA MB 5.000 . 5.000 4.360 4.344 4.392 . 0 0 "[ . ]" 1
877 2 48 ARG HA 2 49 ALA HA 5.000 . 5.000 4.789 4.771 4.799 . 0 0 "[ . ]" 1
878 2 45 ASN HA 2 49 ALA MB 5.000 . 5.000 5.353 5.219 5.481 0.481 3 0 "[ . ]" 1
879 2 47 ARG HA 2 49 ALA MB 5.000 . 5.000 4.883 4.807 5.018 0.018 2 0 "[ . ]" 1
880 2 47 ARG QG 2 49 ALA MB 5.000 . 5.000 6.052 6.016 6.149 1.149 2 8 [-+******] 1
881 2 45 ASN HA 2 49 ALA H 5.000 . 5.000 4.480 4.313 4.596 . 0 0 "[ . ]" 1
882 2 46 SER HA 2 49 ALA H 5.000 . 5.000 3.603 3.535 3.647 . 0 0 "[ . ]" 1
883 2 47 ARG HA 2 49 ALA H 5.000 . 5.000 4.438 4.388 4.533 . 0 0 "[ . ]" 1
884 2 47 ARG QG 2 49 ALA H 5.000 . 5.000 5.805 5.771 5.868 0.868 2 8 [*+-*****] 1
885 2 48 ARG HA 2 49 ALA H 5.000 . 5.000 3.551 3.547 3.556 . 0 0 "[ . ]" 1
886 2 48 ARG QG 2 49 ALA H . . 3.500 3.975 3.888 4.017 0.517 1 2 "[+ .- ]" 1
887 2 49 ALA H 2 49 ALA HA . . 2.800 2.812 2.807 2.820 0.020 2 0 "[ . ]" 1
888 2 49 ALA H 2 49 ALA MB 2.800 . 2.800 2.108 2.097 2.135 . 0 0 "[ . ]" 1
889 2 46 SER HA 2 50 ASP H 5.000 . 5.000 4.481 4.216 4.685 . 0 0 "[ . ]" 1
890 2 47 ARG HA 2 50 ASP H . . 3.500 3.304 3.244 3.379 . 0 0 "[ . ]" 1
891 2 47 ARG QG 2 50 ASP H 5.000 . 5.000 5.298 5.221 5.357 0.357 3 0 "[ . ]" 1
892 2 48 ARG HA 2 50 ASP H 5.000 . 5.000 4.429 4.268 4.537 . 0 0 "[ . ]" 1
893 2 48 ARG QG 2 50 ASP H 5.000 . 5.000 5.581 5.499 5.674 0.674 3 7 "[**+** -*]" 1
894 2 49 ALA HA 2 50 ASP H . . 3.500 3.527 3.509 3.540 0.040 4 0 "[ . ]" 1
895 2 49 ALA MB 2 50 ASP H . . 2.800 2.667 2.603 2.754 . 0 0 "[ . ]" 1
896 2 50 ASP H 2 50 ASP HA 2.800 . 2.800 2.708 2.273 2.880 0.080 4 0 "[ . ]" 1
897 2 50 ASP H 2 50 ASP QB . . 2.800 2.483 2.250 2.904 0.104 3 0 "[ . ]" 1
898 2 51 ALA MB 2 54 THR HG1 5.000 . 5.000 7.079 3.225 11.060 6.060 3 5 "[**+-* ]" 1
899 2 51 ALA MB 2 54 THR MG 5.000 . 5.000 5.372 2.700 7.464 2.464 2 4 "[ +* * -]" 1
900 2 49 ALA HA 2 51 ALA H 5.000 . 5.000 4.155 3.582 4.805 . 0 0 "[ . ]" 1
901 2 51 ALA H 2 51 ALA MB . . 2.800 2.643 2.033 2.882 0.082 2 0 "[ . ]" 1
902 2 49 ALA HA 2 52 PRO QD 5.000 . 5.000 7.163 6.396 7.694 2.694 1 8 [+*-*****] 1
903 2 52 PRO QB 2 52 PRO QD 2.800 . 2.800 2.754 2.744 2.798 . 0 0 "[ . ]" 1
904 2 52 PRO QD 2 53 SER QB 5.000 . 5.000 5.326 3.906 6.563 1.563 5 4 "[* * +- ]" 1
905 2 53 SER HA 2 53 SER QB 2.800 . 2.800 2.316 2.191 2.379 . 0 0 "[ . ]" 1
906 2 53 SER HA 2 56 ALA MB 5.000 . 5.000 6.454 4.231 8.876 3.876 6 5 "[ * **+ -]" 1
907 2 53 SER H 2 53 SER HA 2.800 . 2.800 2.681 2.271 2.863 0.063 4 0 "[ . ]" 1
908 2 53 SER H 2 53 SER QB . . 2.800 2.755 2.259 3.347 0.547 2 2 "[ + .- ]" 1
909 2 53 SER H 2 54 THR HA 5.000 . 5.000 5.250 4.559 5.720 0.720 8 4 "[* * -+]" 1
910 2 53 SER H 2 54 THR HG1 5.000 . 5.000 6.066 4.435 8.319 3.319 5 5 "[**-*+ ]" 1
911 2 53 SER H 2 54 THR MG 5.000 . 5.000 4.981 2.484 6.661 1.661 7 3 "[ - +*]" 1
912 2 54 THR HA 2 54 THR MG 3.500 . 3.500 2.760 2.253 3.208 . 0 0 "[ . ]" 1
913 2 54 THR HB 2 54 THR HG1 2.800 . 2.800 2.496 2.108 2.833 0.033 5 0 "[ . ]" 1
914 2 54 THR HA 2 54 THR HG1 3.500 . 3.500 3.143 2.320 3.907 0.407 4 0 "[ . ]" 1
915 2 53 SER QB 2 54 THR H 3.500 . 3.500 3.157 1.720 4.001 0.501 4 1 "[ +. ]" 1
916 2 54 THR H 2 54 THR HB 3.500 . 3.500 3.328 2.595 3.617 0.117 4 0 "[ . ]" 1
917 2 54 THR H 2 54 THR HG1 . . 2.800 3.908 2.100 5.083 2.283 3 6 "[**+ * *-]" 1
918 2 54 THR H 2 54 THR MG . . 3.500 2.771 2.018 3.994 0.494 8 0 "[ . ]" 1
919 2 54 THR MG 2 55 SER HA 3.500 . 3.500 4.476 3.242 5.408 1.908 6 7 "[-* **+**]" 1
920 2 55 SER HA 2 55 SER QB 2.800 . 2.800 2.320 2.190 2.373 . 0 0 "[ . ]" 1
921 2 55 SER QB 2 56 ALA MB 5.000 . 5.000 4.213 3.298 5.136 0.136 7 0 "[ . ]" 1
922 2 54 THR HA 2 55 SER H . . 3.500 2.866 2.178 3.559 0.059 8 0 "[ . ]" 1
923 2 54 THR HB 2 55 SER H . . 2.800 3.385 2.446 4.080 1.280 5 4 "[-** + ]" 1
924 2 54 THR HG1 2 55 SER H 3.500 . 3.500 4.249 2.977 5.175 1.675 4 6 "[* *+.**-]" 1
925 2 54 THR MG 2 55 SER H . . 3.500 3.302 2.017 3.963 0.463 5 0 "[ . ]" 1
926 2 55 SER H 2 55 SER HA 2.800 . 2.800 2.824 2.797 2.864 0.064 1 0 "[ . ]" 1
927 2 55 SER H 2 55 SER QB . . 2.800 2.819 2.478 3.337 0.537 7 1 "[ . + ]" 1
928 2 55 SER H 2 56 ALA MB 5.000 . 5.000 4.169 3.428 4.810 . 0 0 "[ . ]" 1
929 2 56 ALA H 2 56 ALA MB . . 2.800 2.605 2.071 2.903 0.103 8 0 "[ . ]" 1
930 2 55 SER QB 2 58 SER HA 3.500 . 3.500 8.529 7.139 10.662 7.162 2 8 [*+**-***] 1
931 2 58 SER HA 2 58 SER QB 2.800 . 2.800 2.364 2.352 2.390 . 0 0 "[ . ]" 1
932 2 54 THR HA 2 58 SER QB 5.000 . 5.000 10.589 6.458 13.167 8.167 1 8 [+*-*****] 1
933 2 57 ILE HA 2 58 SER H . . 3.500 2.533 2.169 3.550 0.050 7 0 "[ . ]" 1
934 2 58 SER H 2 58 SER HA 2.800 . 2.800 2.756 2.274 2.837 0.037 4 0 "[ . ]" 1
935 2 58 SER H 2 58 SER QB . . 2.800 2.726 2.254 3.325 0.525 7 1 "[ . + ]" 1
936 1 7 ALA MB 1 8 VAL H . . 3.500 3.640 3.619 3.661 0.161 1 0 "[ . ]" 1
937 1 8 VAL QG 1 10 ILE MD 5.000 . 5.000 3.702 3.434 4.434 . 0 0 "[ . ]" 1
938 1 9 ASP HA 1 10 ILE H . . 2.800 3.080 3.012 3.138 0.338 5 0 "[ . ]" 1
939 1 10 ILE H 1 10 ILE MG . . 3.500 3.588 3.554 3.613 0.113 2 0 "[ . ]" 1
940 1 12 ASP HA 1 15 ASP HB3 3.500 . 3.500 2.976 2.747 3.193 . 0 0 "[ . ]" 1
941 1 14 LEU QB 1 17 LEU QD 3.500 . 3.500 4.641 4.375 4.924 1.424 7 8 [******+-] 1
942 1 14 LEU QD 1 40 LEU QB 5.000 . 5.000 4.523 4.402 4.671 . 0 0 "[ . ]" 1
943 1 16 GLU QB 1 17 LEU HA 5.000 . 5.000 3.927 3.909 3.956 . 0 0 "[ . ]" 1
944 1 18 GLU QB 1 19 LYS QB 5.000 . 5.000 4.451 4.415 4.523 . 0 0 "[ . ]" 1
945 1 20 ALA MB 1 21 LEU HA 5.000 . 5.000 3.487 3.422 3.530 . 0 0 "[ . ]" 1
946 1 27 GLU HA 1 28 ASP H . . 3.500 3.523 3.489 3.535 0.035 1 0 "[ . ]" 1
947 1 32 ASP HA 1 34 GLY H 5.000 . 5.000 4.451 4.346 4.487 . 0 0 "[ . ]" 1
948 1 35 GLN HA 1 38 GLU HB3 3.500 . 3.500 3.216 3.194 3.237 . 0 0 "[ . ]" 1
949 1 37 LEU QB 1 40 LEU QB 5.000 . 5.000 4.170 4.080 4.275 . 0 0 "[ . ]" 1
950 1 37 LEU HG 1 40 LEU QB 3.500 . 3.500 5.300 5.135 5.478 1.978 1 8 [+****-**] 1
951 1 17 LEU HA 1 40 LEU QD 5.000 . 5.000 6.120 5.963 6.546 1.546 1 8 [+**-****] 1
952 1 37 LEU HA 1 41 LEU H 5.000 . 5.000 4.638 4.606 4.688 . 0 0 "[ . ]" 1
953 1 40 LEU HA 1 41 LEU H 5.000 . 5.000 3.543 3.539 3.551 . 0 0 "[ . ]" 1
954 1 41 LEU QB 1 42 ARG HA 5.000 . 5.000 3.555 3.515 3.586 . 0 0 "[ . ]" 1
955 1 43 ARG HA 1 44 TRP H . . 3.500 3.482 3.463 3.491 . 0 0 "[ . ]" 1
956 1 48 ARG HA 1 49 ALA H . . 3.500 3.523 3.507 3.526 0.026 7 0 "[ . ]" 1
957 1 49 ALA HA 1 50 ASP H 3.500 . 3.500 3.472 3.464 3.487 . 0 0 "[ . ]" 1
958 1 49 ALA HA 1 51 ALA H 5.000 . 5.000 4.065 3.594 4.523 . 0 0 "[ . ]" 1
959 1 50 ASP HA 1 51 ALA MB 5.000 . 5.000 4.315 4.184 4.377 . 0 0 "[ . ]" 1
960 2 13 ARG HA 2 16 GLU H 5.000 . 5.000 3.634 3.309 3.910 . 0 0 "[ . ]" 1
961 2 31 ASP HA 2 32 ASP H 3.500 . 3.500 3.482 3.467 3.495 . 0 0 "[ . ]" 1
962 2 36 ARG QD 2 37 LEU QD 5.000 . 5.000 6.269 5.758 6.508 1.508 3 8 [**+**-**] 1
963 2 37 LEU QD 2 40 LEU H 5.000 . 5.000 4.392 4.143 4.760 . 0 0 "[ . ]" 1
964 2 9 ASP QB 2 42 ARG HA 5.000 . 5.000 19.082 18.566 19.452 14.452 5 8 [-***+***] 1
965 2 51 ALA HA 2 54 THR HB 5.000 . 5.000 8.923 6.764 10.819 5.819 2 8 [*+***-**] 1
966 2 50 ASP HA 2 51 ALA H 3.500 . 3.500 2.612 2.227 2.792 . 0 0 "[ . ]" 1
967 2 50 ASP QB 2 51 ALA H 3.500 . 3.500 3.943 3.889 4.033 0.533 5 2 "[- + ]" 1
968 2 51 ALA H 2 52 PRO QG 5.000 . 5.000 5.553 4.172 6.122 1.122 7 6 "[* **-+*]" 1
969 2 49 ALA HA 2 52 PRO QB 5.000 . 5.000 8.816 7.607 9.699 4.699 4 8 [***+*-**] 1
970 2 53 SER QB 2 54 THR HG1 5.000 . 5.000 5.823 4.662 6.700 1.700 1 5 "[+***- ]" 1
971 2 54 THR HG1 2 55 SER HA 3.500 . 3.500 5.619 4.605 6.564 3.064 7 8 [****-*+*] 1
972 2 54 THR MG 2 55 SER QB 5.000 . 5.000 4.163 2.767 5.275 0.275 5 0 "[ . ]" 1
973 2 54 THR HG1 2 55 SER QB 5.000 . 5.000 5.393 4.424 6.383 1.383 3 4 "[ +-. **]" 1
974 2 52 PRO HA 2 55 SER H 5.000 . 5.000 7.713 5.977 8.527 3.527 2 8 [*+-*****] 1
975 2 55 SER HA 2 56 ALA H 3.500 . 3.500 2.663 2.153 3.559 0.059 1 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 240
_Distance_constraint_stats_list.Viol_count 483
_Distance_constraint_stats_list.Viol_total 4569.384
_Distance_constraint_stats_list.Viol_max 11.243
_Distance_constraint_stats_list.Viol_rms 1.3106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2975
_Distance_constraint_stats_list.Viol_average_violations_only 1.1826
_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 4 ALA 0.048 0.048 3 0 "[ . ]"
1 5 SER 0.140 0.048 3 0 "[ . ]"
1 6 PRO 0.000 0.000 . 0 "[ . ]"
1 7 ALA 88.408 11.243 2 8 [*+-*****]
1 8 VAL 27.417 4.183 2 8 [*+****-*]
1 9 ASP 0.044 0.044 2 0 "[ . ]"
1 10 ILE 158.261 11.089 2 8 [*+*-****]
1 11 GLY 0.000 0.000 . 0 "[ . ]"
1 12 ASP 0.000 0.000 . 0 "[ . ]"
1 13 ARG 1.322 0.285 1 0 "[ . ]"
1 14 LEU 30.130 2.776 6 8 [**-**+**]
1 15 ASP 0.586 0.106 3 0 "[ . ]"
1 16 GLU 0.814 0.208 3 0 "[ . ]"
1 17 LEU 4.352 0.381 8 0 "[ . ]"
1 18 GLU 19.452 2.314 1 8 [+******-]
1 19 LYS 3.784 0.381 8 0 "[ . ]"
1 20 ALA 30.015 4.183 2 8 [*+****-*]
1 21 LEU 21.792 2.776 6 8 [-****+**]
1 22 GLU 0.000 0.000 . 0 "[ . ]"
1 23 ALA 0.000 0.000 . 0 "[ . ]"
1 24 LEU 175.261 11.243 2 8 [*+-*****]
1 25 SER 0.000 0.000 . 0 "[ . ]"
1 26 ALA 0.423 0.104 4 0 "[ . ]"
1 27 GLU 0.440 0.104 4 0 "[ . ]"
1 28 ASP 3.049 0.380 2 0 "[ . ]"
1 29 GLY 4.337 0.380 2 0 "[ . ]"
1 30 HIS 0.376 0.052 8 0 "[ . ]"
1 31 ASP 1.327 0.205 7 0 "[ . ]"
1 32 ASP 0.000 0.000 . 0 "[ . ]"
1 33 VAL 71.407 9.174 2 8 [*+*-****]
1 34 GLY 0.000 0.000 . 0 "[ . ]"
1 35 GLN 1.214 0.362 4 0 "[ . ]"
1 36 ARG 0.055 0.028 2 0 "[ . ]"
1 37 LEU 22.325 1.960 2 8 [*+-*****]
1 38 GLU 0.417 0.083 4 0 "[ . ]"
1 39 SER 3.318 0.759 5 3 "[- * + ]"
1 40 LEU 19.512 2.314 1 8 [+*******]
1 41 LEU 16.221 1.960 2 8 [*+*****-]
1 42 ARG 3.741 0.442 4 0 "[ . ]"
1 43 ARG 0.000 0.000 . 0 "[ . ]"
1 44 TRP 0.000 0.000 . 0 "[ . ]"
1 45 ASN 3.249 0.442 4 0 "[ . ]"
1 46 SER 0.000 0.000 . 0 "[ . ]"
1 47 ARG 0.000 0.000 . 0 "[ . ]"
1 48 ARG 0.000 0.000 . 0 "[ . ]"
1 49 ALA 0.000 0.000 . 0 "[ . ]"
1 50 ASP 0.665 0.156 3 0 "[ . ]"
1 51 ALA 0.000 0.000 . 0 "[ . ]"
1 53 SER 0.000 0.000 . 0 "[ . ]"
1 54 THR 0.000 0.000 . 0 "[ . ]"
1 59 GLU 0.000 0.000 . 0 "[ . ]"
1 60 ASP 0.156 0.081 7 0 "[ . ]"
2 2 SER 0.208 0.075 2 0 "[ . ]"
2 3 ALA 5.564 1.118 5 6 "[***-+* ]"
2 4 ALA 9.561 1.118 5 8 [****+***]
2 5 SER 4.062 1.093 7 5 "[** - +*]"
2 6 PRO 0.000 0.000 . 0 "[ . ]"
2 7 ALA 0.000 0.000 . 0 "[ . ]"
2 8 VAL 0.285 0.157 2 0 "[ . ]"
2 9 ASP 12.865 1.635 4 8 [*-*+****]
2 10 ILE 0.250 0.233 2 0 "[ . ]"
2 11 GLY 0.250 0.233 2 0 "[ . ]"
2 12 ASP 12.579 1.635 4 8 [*-*+****]
2 13 ARG 0.000 0.000 . 0 "[ . ]"
2 14 LEU 2.667 0.797 2 1 "[ + . ]"
2 15 ASP 0.018 0.018 2 0 "[ . ]"
2 16 GLU 0.000 0.000 . 0 "[ . ]"
2 18 GLU 2.421 0.736 4 1 "[ +. ]"
2 19 LYS 2.421 0.736 4 1 "[ +. ]"
2 20 ALA 6.391 0.786 3 8 [**+-****]
2 21 LEU 6.228 0.786 3 8 [**+-****]
2 22 GLU 0.024 0.018 4 0 "[ . ]"
2 23 ALA 0.024 0.018 4 0 "[ . ]"
2 24 LEU 3.646 0.368 3 0 "[ . ]"
2 25 SER 12.737 1.307 1 8 [+**-****]
2 26 ALA 10.093 1.307 1 8 [+**-****]
2 27 GLU 0.124 0.047 4 0 "[ . ]"
2 28 ASP 0.000 0.000 . 0 "[ . ]"
2 29 GLY 0.000 0.000 . 0 "[ . ]"
2 30 HIS 8.486 1.084 2 8 [*+-*****]
2 31 ASP 8.486 1.084 2 8 [*+-*****]
2 32 ASP 0.000 0.000 . 0 "[ . ]"
2 33 VAL 0.040 0.016 6 0 "[ . ]"
2 34 GLY 0.040 0.016 6 0 "[ . ]"
2 35 GLN 0.000 0.000 . 0 "[ . ]"
2 36 ARG 0.000 0.000 . 0 "[ . ]"
2 37 LEU 0.000 0.000 . 0 "[ . ]"
2 38 GLU 0.000 0.000 . 0 "[ . ]"
2 39 SER 0.133 0.037 3 0 "[ . ]"
2 40 LEU 0.122 0.037 3 0 "[ . ]"
2 41 LEU 0.000 0.000 . 0 "[ . ]"
2 42 ARG 0.010 0.010 2 0 "[ . ]"
2 43 ARG 0.905 0.259 8 0 "[ . ]"
2 44 TRP 13.340 1.373 3 8 [*-+*****]
2 45 ASN 0.669 0.143 7 0 "[ . ]"
2 46 SER 5.754 0.665 2 8 [*+-*****]
2 47 ARG 0.000 0.000 . 0 "[ . ]"
2 48 ARG 34.999 3.732 3 8 [**+*****]
2 49 ALA 0.000 0.000 . 0 "[ . ]"
2 50 ASP 58.461 10.815 5 8 [****+**-]
2 51 ALA 50.980 4.610 2 8 [*+*****-]
2 52 PRO 0.000 0.000 . 0 "[ . ]"
2 53 SER 28.625 2.022 6 8 [***-*+**]
2 54 THR 87.580 10.815 5 8 [***-+***]
2 55 SER 19.666 2.022 6 7 "[** **+-*]"
2 56 ALA 1.196 0.547 7 1 "[ . + ]"
2 57 ILE 5.674 1.131 3 6 "[**+*-* ]"
2 58 SER 5.782 1.131 3 6 "[**+*-* ]"
2 59 GLU 0.359 0.099 3 0 "[ . ]"
2 60 ASP 0.000 0.000 . 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ILE HB 1 24 LEU QD 5.000 . 5.000 15.857 15.749 16.089 11.089 2 8 [*+-*****] 2
2 1 10 ILE HB 1 33 VAL QG 5.000 . 5.000 13.926 13.792 14.174 9.174 2 8 [*+*-****] 2
3 1 14 LEU HA 1 17 LEU QD 5.000 . 5.000 3.263 2.993 3.674 . 0 0 "[ . ]" 2
4 1 8 VAL QG 1 20 ALA MB 5.000 . 5.000 8.422 8.178 9.183 4.183 2 8 [*+****-*] 2
5 1 14 LEU HG 1 21 LEU QD 5.000 . 5.000 7.712 7.607 7.776 2.776 6 8 [-****+**] 2
6 1 7 ALA HA 1 24 LEU QD 5.000 . 5.000 16.051 15.771 16.243 11.243 2 8 [*+-*****] 2
7 1 14 LEU QD 1 37 LEU HA 5.000 . 5.000 5.878 5.744 5.966 0.966 2 8 [*+-*****] 2
8 1 37 LEU HG 1 41 LEU QD 5.000 . 5.000 6.867 6.772 6.960 1.960 2 8 [*+*****-] 2
9 1 18 GLU QB 1 40 LEU QD 5.000 . 5.000 6.954 6.704 7.314 2.314 1 8 [+******-] 2
10 2 14 LEU QD 2 44 TRP HD1 5.000 . 5.000 5.331 5.142 5.797 0.797 2 1 "[ + . ]" 2
11 2 43 ARG QB 2 44 TRP QB 5.000 . 5.000 3.951 3.927 3.989 . 0 0 "[ . ]" 2
12 2 51 ALA HA 2 54 THR MG 5.000 . 5.000 7.084 3.607 9.610 4.610 2 6 "[-+* * **]" 2
13 1 13 ARG QG 1 14 LEU H 3.500 . 3.500 3.641 3.530 3.785 0.285 1 0 "[ . ]" 2
14 1 19 LYS H 1 19 LYS QD 3.500 . 3.500 3.576 3.498 3.710 0.210 3 0 "[ . ]" 2
15 1 28 ASP QB 1 29 GLY H 3.500 . 3.500 3.876 3.873 3.880 0.380 2 0 "[ . ]" 2
16 1 35 GLN QB 1 36 ARG H 3.500 . 3.500 2.938 2.606 3.364 . 0 0 "[ . ]" 2
17 1 35 GLN QB 1 37 LEU H 5.000 . 5.000 4.840 4.609 5.134 0.134 1 0 "[ . ]" 2
18 1 36 ARG HA 1 37 LEU H 3.500 . 3.500 3.498 3.494 3.503 0.003 1 0 "[ . ]" 2
19 1 41 LEU HA 1 42 ARG H 3.500 . 3.500 3.560 3.551 3.567 0.067 8 0 "[ . ]" 2
20 1 41 LEU HG 1 42 ARG H 5.000 . 5.000 4.733 4.703 4.756 . 0 0 "[ . ]" 2
21 1 42 ARG HA 1 43 ARG H 3.500 . 3.500 3.428 3.419 3.439 . 0 0 "[ . ]" 2
22 1 43 ARG QB 1 44 TRP H 3.500 . 3.500 2.709 2.680 2.746 . 0 0 "[ . ]" 2
23 1 50 ASP H 1 50 ASP HB3 3.500 . 3.500 3.174 2.498 3.603 0.103 8 0 "[ . ]" 2
24 2 6 PRO HA 2 7 ALA H 3.500 . 3.500 2.464 2.251 2.788 . 0 0 "[ . ]" 2
25 2 18 GLU H 2 18 GLU HB2 3.500 . 3.500 2.334 2.260 2.435 . 0 0 "[ . ]" 2
26 2 22 GLU HA 2 23 ALA H 3.500 . 3.500 3.498 3.488 3.518 0.018 4 0 "[ . ]" 2
27 2 30 HIS QB 2 31 ASP H . . 2.800 3.861 3.842 3.884 1.084 2 8 [*+-*****] 2
28 2 38 GLU H 2 40 LEU H 5.000 . 5.000 3.996 3.901 4.117 . 0 0 "[ . ]" 2
29 2 43 ARG HA 2 46 SER H 3.500 . 3.500 3.601 3.407 3.759 0.259 8 0 "[ . ]" 2
30 2 51 ALA H 2 53 SER H 5.000 . 5.000 5.875 4.396 6.966 1.966 7 7 "[***-* +*]" 2
31 2 52 PRO QB 2 53 SER H 5.000 . 5.000 2.983 1.412 4.009 . 0 0 "[ . ]" 2
32 2 55 SER QB 2 56 ALA H 3.500 . 3.500 3.216 2.385 4.047 0.547 7 1 "[ . + ]" 2
33 1 4 ALA HA 1 5 SER H 3.500 . 3.500 2.720 2.166 3.548 0.048 3 0 "[ . ]" 2
34 1 4 ALA MB 1 5 SER H 5.000 . 5.000 2.823 1.786 3.715 . 0 0 "[ . ]" 2
35 1 5 SER H 1 5 SER HA 2.800 . 2.800 2.680 2.272 2.828 0.028 8 0 "[ . ]" 2
36 1 6 PRO HB2 1 7 ALA H 5.000 . 5.000 2.731 2.316 3.032 . 0 0 "[ . ]" 2
37 1 7 ALA H 1 8 VAL H . . 3.500 2.716 2.599 2.897 . 0 0 "[ . ]" 2
38 1 7 ALA H 1 8 VAL QG 5.000 . 5.000 3.972 3.859 4.110 . 0 0 "[ . ]" 2
39 1 8 VAL H 1 9 ASP H 3.500 . 3.500 3.371 3.273 3.544 0.044 2 0 "[ . ]" 2
40 1 10 ILE HB 1 11 GLY H 5.000 . 5.000 3.672 3.509 3.771 . 0 0 "[ . ]" 2
41 1 10 ILE MG 1 11 GLY H 2.800 . 2.800 1.672 1.446 1.886 . 0 0 "[ . ]" 2
42 1 11 GLY QA 1 14 LEU H 5.000 . 5.000 3.093 3.040 3.206 . 0 0 "[ . ]" 2
43 1 11 GLY H 1 12 ASP H 2.800 . 2.800 2.534 2.409 2.668 . 0 0 "[ . ]" 2
44 1 12 ASP H 1 13 ARG H 2.800 . 2.800 2.335 2.235 2.437 . 0 0 "[ . ]" 2
45 1 13 ARG H 1 13 ARG HA 2.800 . 2.800 2.824 2.794 2.851 0.051 8 0 "[ . ]" 2
46 1 13 ARG HA 1 14 LEU H 3.500 . 3.500 3.438 3.425 3.447 . 0 0 "[ . ]" 2
47 1 13 ARG H 1 14 LEU H . . 2.800 2.445 2.350 2.536 . 0 0 "[ . ]" 2
48 1 13 ARG H 1 15 ASP H 5.000 . 5.000 4.027 3.948 4.142 . 0 0 "[ . ]" 2
49 1 14 LEU HA 1 15 ASP H 3.500 . 3.500 3.536 3.527 3.545 0.045 3 0 "[ . ]" 2
50 1 14 LEU HG 1 15 ASP H 5.000 . 5.000 4.465 4.444 4.489 . 0 0 "[ . ]" 2
51 1 15 ASP H 1 16 GLU H . . 2.800 2.836 2.795 2.906 0.106 3 0 "[ . ]" 2
52 1 16 GLU QB 1 17 LEU H 2.800 . 2.800 2.834 2.763 2.866 0.066 7 0 "[ . ]" 2
53 1 14 LEU H 1 16 GLU H 5.000 . 5.000 4.319 4.279 4.384 . 0 0 "[ . ]" 2
54 1 17 LEU QD 1 18 GLU H 3.500 . 3.500 3.641 3.448 3.850 0.350 1 0 "[ . ]" 2
55 1 17 LEU H 1 18 GLU H 2.800 . 2.800 2.539 2.429 2.622 . 0 0 "[ . ]" 2
56 1 17 LEU H 1 19 LYS H 3.500 . 3.500 3.855 3.833 3.881 0.381 8 0 "[ . ]" 2
57 1 18 GLU HA 1 21 LEU H 5.000 . 5.000 3.250 3.157 3.309 . 0 0 "[ . ]" 2
58 1 17 LEU H 1 18 GLU QB 5.000 . 5.000 4.265 4.182 4.320 . 0 0 "[ . ]" 2
59 1 18 GLU QG 1 21 LEU H 5.000 . 5.000 4.848 4.713 5.098 0.098 4 0 "[ . ]" 2
60 1 18 GLU H 1 19 LYS H 3.500 . 3.500 2.491 2.404 2.544 . 0 0 "[ . ]" 2
61 1 19 LYS HA 1 20 ALA H 3.500 . 3.500 3.482 3.469 3.499 . 0 0 "[ . ]" 2
62 1 19 LYS QD 1 20 ALA H 5.000 . 5.000 4.959 4.805 5.073 0.073 6 0 "[ . ]" 2
63 1 16 GLU H 1 19 LYS HG2 5.000 . 5.000 4.950 4.816 5.208 0.208 3 0 "[ . ]" 2
64 1 19 LYS H 1 20 ALA H 2.800 . 2.800 2.550 2.528 2.605 . 0 0 "[ . ]" 2
65 1 18 GLU H 1 20 ALA H 3.500 . 3.500 3.814 3.734 3.849 0.349 8 0 "[ . ]" 2
66 1 20 ALA H 1 21 LEU H 2.800 . 2.800 2.512 2.496 2.546 . 0 0 "[ . ]" 2
67 1 20 ALA H 1 21 LEU QD 5.000 . 5.000 4.613 4.585 4.637 . 0 0 "[ . ]" 2
68 1 21 LEU H 1 22 GLU H . . 2.800 2.697 2.659 2.733 . 0 0 "[ . ]" 2
69 1 21 LEU H 1 23 ALA H 5.000 . 5.000 3.953 3.908 3.999 . 0 0 "[ . ]" 2
70 1 22 GLU QG 1 23 ALA H 5.000 . 5.000 4.151 4.116 4.179 . 0 0 "[ . ]" 2
71 1 22 GLU H 1 23 ALA H 2.800 . 2.800 2.663 2.639 2.684 . 0 0 "[ . ]" 2
72 1 23 ALA H 1 24 LEU H 2.800 . 2.800 2.438 2.408 2.464 . 0 0 "[ . ]" 2
73 1 24 LEU H 1 25 SER H 3.500 . 3.500 2.730 2.708 2.766 . 0 0 "[ . ]" 2
74 1 26 ALA HA 1 27 GLU H 2.800 . 2.800 2.853 2.825 2.904 0.104 4 0 "[ . ]" 2
75 1 27 GLU H 1 28 ASP H 2.800 . 2.800 2.771 2.694 2.807 0.007 1 0 "[ . ]" 2
76 1 28 ASP H 1 28 ASP QB 2.800 . 2.800 2.782 2.741 2.813 0.013 5 0 "[ . ]" 2
77 1 28 ASP H 1 29 GLY H 3.500 . 3.500 2.504 2.469 2.554 . 0 0 "[ . ]" 2
78 1 29 GLY HA2 1 31 ASP H 5.000 . 5.000 3.473 3.430 3.521 . 0 0 "[ . ]" 2
79 1 29 GLY HA3 1 31 ASP H 5.000 . 5.000 3.739 3.725 3.749 . 0 0 "[ . ]" 2
80 1 29 GLY H 1 30 HIS H 3.500 . 3.500 2.790 2.740 2.872 . 0 0 "[ . ]" 2
81 1 29 GLY H 1 31 ASP H 5.000 . 5.000 5.166 5.136 5.205 0.205 7 0 "[ . ]" 2
82 1 30 HIS H 1 30 HIS HA 2.800 . 2.800 2.847 2.842 2.852 0.052 8 0 "[ . ]" 2
83 1 30 HIS HA 1 31 ASP H 3.500 . 3.500 2.707 2.682 2.733 . 0 0 "[ . ]" 2
84 1 30 HIS QB 1 33 VAL H 5.000 . 5.000 3.042 2.993 3.116 . 0 0 "[ . ]" 2
85 1 30 HIS H 1 31 ASP HA 5.000 . 5.000 4.944 4.920 4.961 . 0 0 "[ . ]" 2
86 1 31 ASP HA 1 33 VAL H 5.000 . 5.000 3.816 3.648 3.894 . 0 0 "[ . ]" 2
87 1 31 ASP H 1 32 ASP H 3.500 . 3.500 2.634 2.615 2.672 . 0 0 "[ . ]" 2
88 1 32 ASP HA 1 33 VAL H 5.000 . 5.000 3.424 3.391 3.438 . 0 0 "[ . ]" 2
89 1 32 ASP QB 1 33 VAL H 5.000 . 5.000 2.844 2.669 3.580 . 0 0 "[ . ]" 2
90 1 32 ASP H 1 33 VAL H 2.800 . 2.800 2.465 2.421 2.488 . 0 0 "[ . ]" 2
91 1 33 VAL H 1 34 GLY H 3.500 . 3.500 2.678 2.573 2.753 . 0 0 "[ . ]" 2
92 1 33 VAL H 1 36 ARG H 5.000 . 5.000 4.728 4.601 4.813 . 0 0 "[ . ]" 2
93 1 34 GLY H 1 35 GLN H 2.800 . 2.800 2.570 2.499 2.633 . 0 0 "[ . ]" 2
94 1 35 GLN HA 1 38 GLU H 3.500 . 3.500 3.552 3.518 3.583 0.083 4 0 "[ . ]" 2
95 1 35 GLN H 1 35 GLN QB 2.800 . 2.800 2.175 2.052 2.283 . 0 0 "[ . ]" 2
96 1 35 GLN H 1 35 GLN QG 3.500 . 3.500 2.932 2.360 3.862 0.362 4 0 "[ . ]" 2
97 1 35 GLN QG 1 36 ARG H 5.000 . 5.000 3.220 2.222 4.311 . 0 0 "[ . ]" 2
98 1 35 GLN H 1 36 ARG H 2.800 . 2.800 2.532 2.450 2.627 . 0 0 "[ . ]" 2
99 1 35 GLN H 1 37 LEU H 5.000 . 5.000 3.904 3.824 4.010 . 0 0 "[ . ]" 2
100 1 36 ARG QD 1 37 LEU H 5.000 . 5.000 4.746 4.694 4.826 . 0 0 "[ . ]" 2
101 1 36 ARG H 1 37 LEU H 2.800 . 2.800 2.383 2.343 2.430 . 0 0 "[ . ]" 2
102 1 36 ARG H 1 38 GLU H 5.000 . 5.000 3.909 3.830 3.946 . 0 0 "[ . ]" 2
103 1 36 ARG H 1 37 LEU HA 5.000 . 5.000 4.990 4.956 5.028 0.028 2 0 "[ . ]" 2
104 1 37 LEU QB 1 38 GLU H 2.800 . 2.800 2.490 2.434 2.565 . 0 0 "[ . ]" 2
105 1 37 LEU QB 1 39 SER H 5.000 . 5.000 4.576 4.490 4.657 . 0 0 "[ . ]" 2
106 1 37 LEU QD 1 38 GLU H 5.000 . 5.000 3.958 3.914 4.015 . 0 0 "[ . ]" 2
107 1 38 GLU HA 1 42 ARG H 5.000 . 5.000 3.705 3.572 3.809 . 0 0 "[ . ]" 2
108 1 38 GLU H 1 38 GLU QB 2.800 . 2.800 2.168 2.137 2.191 . 0 0 "[ . ]" 2
109 1 38 GLU H 1 39 SER H 2.800 . 2.800 2.537 2.461 2.586 . 0 0 "[ . ]" 2
110 1 39 SER H 1 39 SER QB 2.800 . 2.800 2.332 2.248 2.507 . 0 0 "[ . ]" 2
111 1 39 SER HB3 1 40 LEU H 2.800 . 2.800 2.866 2.434 3.559 0.759 5 3 "[- * + ]" 2
112 1 39 SER HB2 1 40 LEU H 3.500 . 3.500 3.290 2.543 3.719 0.219 4 0 "[ . ]" 2
113 1 40 LEU H 1 41 LEU H . . 2.800 2.870 2.827 2.911 0.111 2 0 "[ . ]" 2
114 1 41 LEU H 1 41 LEU HA 2.800 . 2.800 2.829 2.812 2.836 0.036 6 0 "[ . ]" 2
115 1 41 LEU HA 1 45 ASN H 3.500 . 3.500 2.922 2.864 3.010 . 0 0 "[ . ]" 2
116 1 41 LEU H 1 42 ARG H 2.800 . 2.800 2.761 2.738 2.815 0.015 1 0 "[ . ]" 2
117 1 41 LEU H 1 44 TRP H 5.000 . 5.000 4.182 4.160 4.211 . 0 0 "[ . ]" 2
118 1 42 ARG H 1 42 ARG HA 2.800 . 2.800 2.719 2.710 2.727 . 0 0 "[ . ]" 2
119 1 42 ARG HA 1 45 ASN QD 5.000 . 5.000 3.299 3.264 3.326 . 0 0 "[ . ]" 2
120 1 42 ARG HA 1 45 ASN H 3.500 . 3.500 3.906 3.846 3.942 0.442 4 0 "[ . ]" 2
121 1 42 ARG H 1 42 ARG QB 2.800 . 2.800 2.307 2.224 2.494 . 0 0 "[ . ]" 2
122 1 43 ARG H 1 43 ARG QD 5.000 . 5.000 3.457 3.397 3.604 . 0 0 "[ . ]" 2
123 1 43 ARG QG 1 44 TRP H 5.000 . 5.000 4.076 4.053 4.097 . 0 0 "[ . ]" 2
124 1 43 ARG H 1 44 TRP H 2.800 . 2.800 2.157 2.135 2.185 . 0 0 "[ . ]" 2
125 1 44 TRP H 1 44 TRP HE3 5.000 . 5.000 4.677 4.623 4.722 . 0 0 "[ . ]" 2
126 1 44 TRP H 1 45 ASN H 3.500 . 3.500 2.733 2.722 2.745 . 0 0 "[ . ]" 2
127 1 45 ASN QB 1 45 ASN QD 2.800 . 2.800 2.031 2.025 2.035 . 0 0 "[ . ]" 2
128 1 45 ASN H 1 45 ASN QB 2.800 . 2.800 2.271 2.252 2.286 . 0 0 "[ . ]" 2
129 1 45 ASN QB 1 46 SER H 3.500 . 3.500 2.696 2.612 2.761 . 0 0 "[ . ]" 2
130 1 45 ASN H 1 45 ASN QD 5.000 . 5.000 2.614 2.576 2.668 . 0 0 "[ . ]" 2
131 1 45 ASN H 1 46 SER H 3.500 . 3.500 2.719 2.699 2.737 . 0 0 "[ . ]" 2
132 1 44 TRP H 1 46 SER H 5.000 . 5.000 3.835 3.773 3.879 . 0 0 "[ . ]" 2
133 1 46 SER H 1 47 ARG H 2.800 . 2.800 2.709 2.668 2.772 . 0 0 "[ . ]" 2
134 1 46 SER H 1 47 ARG QB 5.000 . 5.000 4.635 4.591 4.722 . 0 0 "[ . ]" 2
135 1 47 ARG H 1 48 ARG H 2.800 . 2.800 2.649 2.619 2.665 . 0 0 "[ . ]" 2
136 1 48 ARG H 1 48 ARG QD 5.000 . 5.000 3.655 3.030 3.920 . 0 0 "[ . ]" 2
137 1 46 SER H 1 48 ARG H 5.000 . 5.000 3.990 3.938 4.018 . 0 0 "[ . ]" 2
138 1 48 ARG H 1 49 ALA H 2.800 . 2.800 2.769 2.763 2.779 . 0 0 "[ . ]" 2
139 1 49 ALA H 1 49 ALA HA 2.800 . 2.800 2.779 2.773 2.786 . 0 0 "[ . ]" 2
140 1 50 ASP HB3 1 51 ALA H 5.000 . 5.000 4.379 4.193 4.494 . 0 0 "[ . ]" 2
141 1 50 ASP H 1 50 ASP HB2 2.800 . 2.800 2.629 2.429 2.956 0.156 3 0 "[ . ]" 2
142 1 50 ASP HB2 1 51 ALA H 5.000 . 5.000 4.495 4.304 4.651 . 0 0 "[ . ]" 2
143 1 53 SER HA 1 54 THR H 5.000 . 5.000 2.608 2.179 3.154 . 0 0 "[ . ]" 2
144 1 59 GLU HB3 1 60 ASP H 5.000 . 5.000 3.771 3.114 4.434 . 0 0 "[ . ]" 2
145 1 60 ASP H 1 60 ASP HB3 3.500 . 3.500 2.891 2.517 3.522 0.022 2 0 "[ . ]" 2
146 1 60 ASP H 1 60 ASP HB2 3.500 . 3.500 3.102 2.503 3.581 0.081 7 0 "[ . ]" 2
147 2 2 SER H 2 2 SER HA 2.800 . 2.800 2.694 2.272 2.875 0.075 2 0 "[ . ]" 2
148 2 3 ALA H 2 4 ALA H . . 3.500 3.946 2.250 4.618 1.118 5 6 "[***-+* ]" 2
149 2 4 ALA H 2 5 SER H . . 3.500 3.840 2.712 4.593 1.093 7 5 "[** - +*]" 2
150 2 5 SER H 2 5 SER HG 5.000 . 5.000 4.050 2.649 5.066 0.066 8 0 "[ . ]" 2
151 2 7 ALA HA 2 8 VAL H 3.500 . 3.500 2.844 2.795 2.917 . 0 0 "[ . ]" 2
152 2 7 ALA H 2 8 VAL H . . 3.500 2.692 2.569 2.892 . 0 0 "[ . ]" 2
153 2 8 VAL H 2 10 ILE H 5.000 . 5.000 3.050 2.984 3.151 . 0 0 "[ . ]" 2
154 2 9 ASP HA 2 10 ILE H 3.500 . 3.500 3.299 3.228 3.350 . 0 0 "[ . ]" 2
155 2 9 ASP HA 2 12 ASP H 3.500 . 3.500 5.072 4.926 5.135 1.635 4 8 [*-*+****] 2
156 2 8 VAL H 2 9 ASP H 3.500 . 3.500 3.495 3.380 3.657 0.157 2 0 "[ . ]" 2
157 2 9 ASP H 2 10 ILE H 3.500 . 3.500 2.585 2.514 2.687 . 0 0 "[ . ]" 2
158 2 10 ILE H 2 11 GLY H 3.500 . 3.500 3.427 3.283 3.733 0.233 2 0 "[ . ]" 2
159 2 11 GLY H 2 12 ASP H 3.500 . 3.500 2.606 2.491 2.736 . 0 0 "[ . ]" 2
160 2 12 ASP QB 2 13 ARG H 2.800 . 2.800 2.458 2.373 2.532 . 0 0 "[ . ]" 2
161 2 12 ASP H 2 13 ARG H 3.500 . 3.500 2.766 2.624 2.883 . 0 0 "[ . ]" 2
162 2 13 ARG H 2 14 LEU H 3.500 . 3.500 2.643 2.578 2.699 . 0 0 "[ . ]" 2
163 2 12 ASP H 2 14 LEU H 5.000 . 5.000 4.140 3.973 4.306 . 0 0 "[ . ]" 2
164 2 14 LEU H 2 15 ASP H 2.800 . 2.800 2.724 2.658 2.818 0.018 2 0 "[ . ]" 2
165 2 15 ASP H 2 16 GLU H 3.500 . 3.500 2.756 2.691 2.826 . 0 0 "[ . ]" 2
166 2 18 GLU HB3 2 19 LYS H 2.800 . 2.800 2.256 2.178 2.367 . 0 0 "[ . ]" 2
167 2 18 GLU HB2 2 19 LYS H 3.500 . 3.500 3.505 3.418 3.642 0.142 1 0 "[ . ]" 2
168 2 18 GLU QG 2 19 LYS H 3.500 . 3.500 3.781 3.499 4.236 0.736 4 1 "[ +. ]" 2
169 2 19 LYS QB 2 20 ALA H 5.000 . 5.000 2.664 2.604 2.734 . 0 0 "[ . ]" 2
170 2 19 LYS H 2 20 ALA H . . 2.800 2.697 2.644 2.800 0.000 2 0 "[ . ]" 2
171 2 20 ALA H 2 20 ALA HA 2.800 . 2.800 2.824 2.815 2.829 0.029 1 0 "[ . ]" 2
172 2 20 ALA HA 2 21 LEU H 2.800 . 2.800 3.575 3.566 3.586 0.786 3 8 [**+-****] 2
173 2 20 ALA MB 2 21 LEU H 2.800 . 2.800 2.405 2.351 2.437 . 0 0 "[ . ]" 2
174 2 21 LEU H 2 21 LEU HA 2.800 . 2.800 2.796 2.770 2.817 0.017 2 0 "[ . ]" 2
175 2 22 GLU HB3 2 23 ALA H 5.000 . 5.000 3.726 3.613 3.788 . 0 0 "[ . ]" 2
176 2 22 GLU HB2 2 23 ALA H 5.000 . 5.000 2.708 2.629 2.762 . 0 0 "[ . ]" 2
177 2 23 ALA H 2 23 ALA MB 3.500 . 3.500 2.080 2.069 2.097 . 0 0 "[ . ]" 2
178 2 23 ALA MB 2 24 LEU H 2.800 . 2.800 2.654 2.591 2.789 . 0 0 "[ . ]" 2
179 2 24 LEU H 2 24 LEU HA 2.800 . 2.800 2.910 2.899 2.917 0.117 3 0 "[ . ]" 2
180 2 24 LEU HA 2 25 SER H 2.800 . 2.800 3.146 3.125 3.168 0.368 3 0 "[ . ]" 2
181 2 25 SER H 2 25 SER HA 2.800 . 2.800 2.736 2.724 2.756 . 0 0 "[ . ]" 2
182 2 25 SER QB 2 26 ALA H 5.000 . 5.000 3.827 3.786 3.858 . 0 0 "[ . ]" 2
183 2 24 LEU H 2 25 SER H 5.000 . 5.000 2.596 2.570 2.610 . 0 0 "[ . ]" 2
184 2 25 SER H 2 26 ALA H 2.800 . 2.800 4.046 4.004 4.107 1.307 1 8 [+**-****] 2
185 2 26 ALA HA 2 27 GLU H 2.800 . 2.800 2.805 2.767 2.847 0.047 4 0 "[ . ]" 2
186 2 26 ALA H 2 26 ALA MB 3.500 . 3.500 2.733 2.714 2.745 . 0 0 "[ . ]" 2
187 2 26 ALA MB 2 27 GLU H 5.000 . 5.000 3.679 3.664 3.688 . 0 0 "[ . ]" 2
188 2 27 GLU H 2 28 ASP H 2.800 . 2.800 2.591 2.483 2.672 . 0 0 "[ . ]" 2
189 2 28 ASP H 2 29 GLY H 5.000 . 5.000 2.758 2.698 2.797 . 0 0 "[ . ]" 2
190 2 29 GLY H 2 30 HIS H 5.000 . 5.000 2.814 2.762 2.900 . 0 0 "[ . ]" 2
191 2 30 HIS H 2 31 ASP H 3.500 . 3.500 3.244 3.199 3.302 . 0 0 "[ . ]" 2
192 2 31 ASP HA 2 34 GLY H 3.500 . 3.500 3.233 3.116 3.304 . 0 0 "[ . ]" 2
193 2 31 ASP H 2 32 ASP H 3.500 . 3.500 2.743 2.695 2.781 . 0 0 "[ . ]" 2
194 2 32 ASP H 2 33 VAL H 3.500 . 3.500 2.789 2.751 2.824 . 0 0 "[ . ]" 2
195 2 33 VAL HA 2 34 GLY H 3.500 . 3.500 3.498 3.473 3.516 0.016 6 0 "[ . ]" 2
196 2 33 VAL H 2 34 GLY H . . 3.500 2.618 2.543 2.702 . 0 0 "[ . ]" 2
197 2 35 GLN HA 2 38 GLU H 5.000 . 5.000 3.689 3.567 3.827 . 0 0 "[ . ]" 2
198 2 35 GLN QB 2 36 ARG H 3.500 . 3.500 2.845 2.425 3.466 . 0 0 "[ . ]" 2
199 2 35 GLN H 2 36 ARG H 3.500 . 3.500 2.667 2.606 2.722 . 0 0 "[ . ]" 2
200 2 36 ARG H 2 37 LEU H 3.500 . 3.500 2.604 2.542 2.679 . 0 0 "[ . ]" 2
201 2 37 LEU QB 2 38 GLU H 2.800 . 2.800 2.529 2.456 2.626 . 0 0 "[ . ]" 2
202 2 37 LEU H 2 38 GLU H . . 3.500 2.700 2.642 2.764 . 0 0 "[ . ]" 2
203 2 38 GLU HA 2 41 LEU H 5.000 . 5.000 3.487 3.448 3.555 . 0 0 "[ . ]" 2
204 2 38 GLU H 2 38 GLU QB 2.800 . 2.800 2.163 2.073 2.217 . 0 0 "[ . ]" 2
205 2 38 GLU QB 2 39 SER H 3.500 . 3.500 2.576 2.473 2.688 . 0 0 "[ . ]" 2
206 2 39 SER HA 2 40 LEU H 3.500 . 3.500 3.515 3.501 3.537 0.037 3 0 "[ . ]" 2
207 2 39 SER HA 2 42 ARG H 3.500 . 3.500 3.402 3.286 3.510 0.010 2 0 "[ . ]" 2
208 2 38 GLU H 2 39 SER H 5.000 . 5.000 2.550 2.490 2.610 . 0 0 "[ . ]" 2
209 2 39 SER H 2 40 LEU H 3.500 . 3.500 2.653 2.598 2.733 . 0 0 "[ . ]" 2
210 2 40 LEU H 2 41 LEU H 3.500 . 3.500 2.775 2.675 2.824 . 0 0 "[ . ]" 2
211 2 41 LEU H 2 42 ARG H 3.500 . 3.500 2.629 2.585 2.672 . 0 0 "[ . ]" 2
212 2 42 ARG QG 2 43 ARG H 5.000 . 5.000 3.998 3.514 4.385 . 0 0 "[ . ]" 2
213 2 43 ARG H 2 44 TRP H 3.500 . 3.500 2.327 2.228 2.439 . 0 0 "[ . ]" 2
214 2 44 TRP HA 2 48 ARG H 3.500 . 3.500 4.753 4.707 4.873 1.373 3 8 [*-+*****] 2
215 2 44 TRP H 2 45 ASN H 2.800 . 2.800 2.884 2.816 2.943 0.143 7 0 "[ . ]" 2
216 2 45 ASN H 2 46 SER H 3.500 . 3.500 2.684 2.591 2.740 . 0 0 "[ . ]" 2
217 2 46 SER H 2 47 ARG H 3.500 . 3.500 2.795 2.762 2.833 . 0 0 "[ . ]" 2
218 2 46 SER H 2 48 ARG H 3.500 . 3.500 4.106 4.076 4.165 0.665 2 8 [*+-*****] 2
219 2 47 ARG H 2 48 ARG H . . 2.800 2.647 2.604 2.680 . 0 0 "[ . ]" 2
220 2 48 ARG HA 2 51 ALA H 3.500 . 3.500 6.016 4.864 7.232 3.732 3 8 [**+-****] 2
221 2 48 ARG H 2 49 ALA H 3.500 . 3.500 2.790 2.770 2.809 . 0 0 "[ . ]" 2
222 2 49 ALA H 2 50 ASP QB 5.000 . 5.000 4.572 4.374 4.762 . 0 0 "[ . ]" 2
223 2 49 ALA H 2 50 ASP H 2.800 . 2.800 2.649 2.628 2.678 . 0 0 "[ . ]" 2
224 2 50 ASP H 2 51 ALA H 2.800 . 2.800 3.410 2.761 4.192 1.392 1 6 "[+ ****-]" 2
225 2 51 ALA H 2 51 ALA HA 2.800 . 2.800 2.813 2.772 2.839 0.039 5 0 "[ . ]" 2
226 2 53 SER HA 2 54 THR H 3.500 . 3.500 2.611 2.177 3.154 . 0 0 "[ . ]" 2
227 2 53 SER H 2 53 SER HG 5.000 . 5.000 3.921 2.256 4.960 . 0 0 "[ . ]" 2
228 2 53 SER H 2 54 THR H 2.800 . 2.800 3.903 2.426 4.622 1.822 1 6 "[+* -* **]" 2
229 2 53 SER H 2 55 SER H 5.000 . 5.000 6.281 3.433 7.022 2.022 6 7 "[-* **+**]" 2
230 2 50 ASP H 2 54 THR HG1 5.000 . 5.000 11.690 7.646 15.815 10.815 5 8 [****+**-] 2
231 2 54 THR H 2 55 SER H 2.800 . 2.800 3.236 1.924 4.601 1.801 4 4 "[ - +** ]" 2
232 2 56 ALA HA 2 57 ILE H 3.500 . 3.500 2.753 2.185 3.551 0.051 5 0 "[ . ]" 2
233 2 56 ALA MB 2 57 ILE H 5.000 . 5.000 3.088 1.622 3.707 . 0 0 "[ . ]" 2
234 2 57 ILE H 2 57 ILE QG 2.800 . 2.800 2.150 1.774 2.622 . 0 0 "[ . ]" 2
235 2 57 ILE H 2 58 SER H 3.500 . 3.500 4.011 2.727 4.631 1.131 3 6 "[**+*-* ]" 2
236 2 58 SER HA 2 59 GLU H 3.500 . 3.500 3.119 2.185 3.567 0.067 5 0 "[ . ]" 2
237 2 58 SER QB 2 59 GLU H 5.000 . 5.000 2.482 1.696 3.944 . 0 0 "[ . ]" 2
238 2 59 GLU H 2 59 GLU HA 2.800 . 2.800 2.825 2.800 2.899 0.099 3 0 "[ . ]" 2
239 2 59 GLU HA 2 60 ASP H 5.000 . 5.000 2.249 2.175 2.745 . 0 0 "[ . ]" 2
240 2 59 GLU H 2 60 ASP H 5.000 . 5.000 4.264 2.464 4.590 . 0 0 "[ . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 99
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 4562.310
_Distance_constraint_stats_list.Viol_max 7.671
_Distance_constraint_stats_list.Viol_rms 1.6052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7201
_Distance_constraint_stats_list.Viol_average_violations_only 2.9396
_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 11 GLY 0.000 0.000 . 0 "[ . ]"
1 12 ASP 0.000 0.000 . 0 "[ . ]"
1 13 ARG 0.000 0.000 . 0 "[ . ]"
1 14 LEU 0.000 0.000 . 0 "[ . ]"
1 15 ASP 0.000 0.000 . 0 "[ . ]"
1 16 GLU 0.000 0.000 . 0 "[ . ]"
1 17 LEU 0.000 0.000 . 0 "[ . ]"
1 18 GLU 0.000 0.000 . 0 "[ . ]"
1 19 LYS 0.647 0.152 3 0 "[ . ]"
1 20 ALA 0.000 0.000 . 0 "[ . ]"
1 21 LEU 0.000 0.000 . 0 "[ . ]"
1 22 GLU 0.000 0.000 . 0 "[ . ]"
1 23 ALA 0.647 0.152 3 0 "[ . ]"
1 24 LEU 0.000 0.000 . 0 "[ . ]"
1 25 SER 0.000 0.000 . 0 "[ . ]"
1 35 GLN 0.000 0.000 . 0 "[ . ]"
1 36 ARG 0.000 0.000 . 0 "[ . ]"
1 37 LEU 0.000 0.000 . 0 "[ . ]"
1 38 GLU 0.000 0.000 . 0 "[ . ]"
1 39 SER 0.000 0.000 . 0 "[ . ]"
1 40 LEU 0.000 0.000 . 0 "[ . ]"
1 41 LEU 0.000 0.000 . 0 "[ . ]"
1 42 ARG 0.349 0.123 4 0 "[ . ]"
1 43 ARG 0.000 0.000 . 0 "[ . ]"
1 44 TRP 0.000 0.000 . 0 "[ . ]"
1 45 ASN 0.000 0.000 . 0 "[ . ]"
1 46 SER 0.349 0.123 4 0 "[ . ]"
1 47 ARG 0.000 0.000 . 0 "[ . ]"
1 48 ARG 0.000 0.000 . 0 "[ . ]"
2 4 ALA 66.249 6.225 8 8 [*****-*+]
2 5 SER 52.264 4.288 2 8 [*+***-**]
2 6 PRO 49.983 3.410 5 8 [-***+***]
2 7 ALA 60.901 4.243 2 8 [*+-*****]
2 8 VAL 70.490 6.225 8 8 [*****-*+]
2 9 ASP 97.363 4.288 2 8 [*+***-**]
2 10 ILE 49.983 3.410 5 8 [-***+***]
2 11 GLY 60.901 4.243 2 8 [*+-*****]
2 12 ASP 4.241 0.493 2 0 "[ . ]"
2 13 ARG 45.099 3.099 8 8 [*-*****+]
2 14 LEU 0.000 0.000 . 0 "[ . ]"
2 30 HIS 1.004 0.217 8 0 "[ . ]"
2 31 ASP 0.000 0.000 . 0 "[ . ]"
2 32 ASP 0.000 0.000 . 0 "[ . ]"
2 33 VAL 0.000 0.000 . 0 "[ . ]"
2 34 GLY 1.004 0.217 8 0 "[ . ]"
2 35 GLN 0.000 0.000 . 0 "[ . ]"
2 36 ARG 0.000 0.000 . 0 "[ . ]"
2 37 LEU 0.027 0.017 5 0 "[ . ]"
2 38 GLU 0.000 0.000 . 0 "[ . ]"
2 39 SER 0.000 0.000 . 0 "[ . ]"
2 40 LEU 0.000 0.000 . 0 "[ . ]"
2 41 LEU 0.027 0.017 5 0 "[ . ]"
2 42 ARG 0.000 0.000 . 0 "[ . ]"
2 43 ARG 0.000 0.000 . 0 "[ . ]"
2 44 TRP 0.000 0.000 . 0 "[ . ]"
2 45 ASN 0.000 0.000 . 0 "[ . ]"
2 46 SER 0.000 0.000 . 0 "[ . ]"
2 47 ARG 22.444 2.690 2 8 [*+**-***]
2 48 ARG 25.303 5.514 2 8 [*+*****-]
2 49 ALA 71.349 7.009 3 8 [**+**-**]
2 50 ASP 95.322 7.671 2 8 [*+*-****]
2 51 ALA 97.552 6.492 5 8 [****+***]
2 52 PRO 25.303 5.514 2 8 [*+*****-]
2 53 SER 71.349 7.009 3 8 [**+**-**]
2 54 THR 95.322 7.671 2 8 [*+*-****]
2 55 SER 75.108 6.492 5 8 [***-+***]
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 11 GLY O 1 15 ASP N 2.800 2.400 3.700 2.692 2.665 2.767 . 0 0 "[ . ]" 3
2 1 11 GLY O 1 15 ASP H 1.800 . 2.700 1.776 1.739 1.863 . 0 0 "[ . ]" 3
3 1 12 ASP O 1 16 GLU N 2.800 2.400 3.700 3.221 3.018 3.361 . 0 0 "[ . ]" 3
4 1 12 ASP O 1 16 GLU H 1.800 . 2.700 2.274 2.077 2.420 . 0 0 "[ . ]" 3
5 1 13 ARG O 1 17 LEU N 2.800 2.400 3.700 2.940 2.757 3.192 . 0 0 "[ . ]" 3
6 1 13 ARG O 1 17 LEU H 1.800 . 2.700 2.240 2.066 2.505 . 0 0 "[ . ]" 3
7 1 14 LEU O 1 18 GLU N 2.800 2.400 3.700 2.883 2.790 2.953 . 0 0 "[ . ]" 3
8 1 14 LEU O 1 18 GLU H 1.800 . 2.700 1.976 1.895 2.036 . 0 0 "[ . ]" 3
9 1 15 ASP O 1 19 LYS N 2.800 2.400 3.700 2.965 2.742 3.045 . 0 0 "[ . ]" 3
10 1 15 ASP O 1 19 LYS H 1.800 . 2.700 2.022 1.811 2.093 . 0 0 "[ . ]" 3
11 1 16 GLU O 1 20 ALA N 2.800 2.400 3.700 2.854 2.733 2.957 . 0 0 "[ . ]" 3
12 1 16 GLU O 1 20 ALA H 1.800 . 2.700 2.034 1.907 2.149 . 0 0 "[ . ]" 3
13 1 17 LEU O 1 21 LEU N 2.800 2.400 3.700 2.792 2.720 2.970 . 0 0 "[ . ]" 3
14 1 17 LEU O 1 21 LEU H 1.800 . 2.700 1.858 1.771 2.028 . 0 0 "[ . ]" 3
15 1 18 GLU O 1 22 GLU N 2.800 2.400 3.700 2.655 2.603 2.713 . 0 0 "[ . ]" 3
16 1 18 GLU O 1 22 GLU H 1.800 . 2.700 1.736 1.686 1.803 . 0 0 "[ . ]" 3
17 1 19 LYS O 1 23 ALA N 2.800 2.400 3.700 3.521 3.413 3.587 . 0 0 "[ . ]" 3
18 1 19 LYS O 1 23 ALA H 1.800 . 2.700 2.777 2.673 2.852 0.152 3 0 "[ . ]" 3
19 1 20 ALA O 1 24 LEU N 2.800 2.400 3.700 3.096 3.048 3.136 . 0 0 "[ . ]" 3
20 1 20 ALA O 1 24 LEU H 1.800 . 2.700 2.188 2.137 2.231 . 0 0 "[ . ]" 3
21 1 21 LEU O 1 25 SER N 2.800 2.400 3.700 2.533 2.506 2.554 . 0 0 "[ . ]" 3
22 1 21 LEU O 1 25 SER H 1.800 . 2.700 2.203 2.172 2.248 . 0 0 "[ . ]" 3
23 1 35 GLN O 1 39 SER N 2.800 2.400 3.700 3.012 2.910 3.113 . 0 0 "[ . ]" 3
24 1 35 GLN O 1 39 SER H 1.800 . 2.700 2.096 1.997 2.195 . 0 0 "[ . ]" 3
25 1 36 ARG O 1 40 LEU N 2.800 2.400 3.700 2.783 2.713 2.897 . 0 0 "[ . ]" 3
26 1 36 ARG O 1 40 LEU H 1.800 . 2.700 1.876 1.809 1.977 . 0 0 "[ . ]" 3
27 1 37 LEU O 1 41 LEU N 2.800 2.400 3.700 3.382 3.331 3.444 . 0 0 "[ . ]" 3
28 1 37 LEU O 1 41 LEU H 1.800 . 2.700 2.436 2.386 2.490 . 0 0 "[ . ]" 3
29 1 38 GLU O 1 42 ARG N 2.800 2.400 3.700 2.670 2.597 2.727 . 0 0 "[ . ]" 3
30 1 38 GLU O 1 42 ARG H 1.800 . 2.700 1.740 1.671 1.791 . 0 0 "[ . ]" 3
31 1 39 SER O 1 43 ARG N 2.800 2.400 3.700 2.935 2.879 2.994 . 0 0 "[ . ]" 3
32 1 39 SER O 1 43 ARG H 1.800 . 2.700 2.161 2.092 2.223 . 0 0 "[ . ]" 3
33 1 40 LEU O 1 44 TRP N 2.800 2.400 3.700 2.718 2.687 2.742 . 0 0 "[ . ]" 3
34 1 40 LEU O 1 44 TRP H 1.800 . 2.700 1.991 1.970 2.013 . 0 0 "[ . ]" 3
35 1 41 LEU O 1 45 ASN N 2.800 2.400 3.700 2.450 2.440 2.484 . 0 0 "[ . ]" 3
36 1 41 LEU O 1 45 ASN H 1.800 . 2.700 1.601 1.586 1.616 . 0 0 "[ . ]" 3
37 1 42 ARG O 1 46 SER N 2.800 2.400 3.700 3.494 3.430 3.585 . 0 0 "[ . ]" 3
38 1 42 ARG O 1 46 SER H 1.800 . 2.700 2.738 2.653 2.823 0.123 4 0 "[ . ]" 3
39 1 43 ARG O 1 47 ARG N 2.800 2.400 3.700 3.206 3.046 3.355 . 0 0 "[ . ]" 3
40 1 43 ARG O 1 47 ARG H 1.800 . 2.700 2.289 2.123 2.443 . 0 0 "[ . ]" 3
41 1 44 TRP O 1 48 ARG N 2.800 2.400 3.700 3.194 3.147 3.285 . 0 0 "[ . ]" 3
42 1 44 TRP O 1 48 ARG H 1.800 . 2.700 2.296 2.248 2.408 . 0 0 "[ . ]" 3
43 2 4 ALA O 2 8 VAL N 2.800 2.400 3.700 7.412 5.153 9.095 5.395 8 8 [*****-*+] 3
44 2 4 ALA O 2 8 VAL H 1.800 . 2.700 7.269 5.323 8.925 6.225 8 8 [*****-*+] 3
45 2 5 SER O 2 9 ASP N 2.800 2.400 3.700 6.571 6.096 6.997 3.297 2 8 [*+***-**] 3
46 2 5 SER O 2 9 ASP H 1.800 . 2.700 6.362 5.935 6.988 4.288 2 8 [*+***-**] 3
47 2 6 PRO O 2 10 ILE N 2.800 2.400 3.700 6.769 6.579 6.953 3.253 5 8 [-***+***] 3
48 2 6 PRO O 2 10 ILE H 1.800 . 2.700 5.879 5.681 6.110 3.410 5 8 [**-*+***] 3
49 2 7 ALA O 2 11 GLY N 2.800 2.400 3.700 7.235 7.134 7.299 3.599 6 8 [**-**+**] 3
50 2 7 ALA O 2 11 GLY H 1.800 . 2.700 6.778 6.648 6.943 4.243 2 8 [*+-*****] 3
51 2 8 VAL O 2 12 ASP N 2.800 2.400 3.700 3.855 3.739 3.908 0.208 4 0 "[ . ]" 3
52 2 8 VAL O 2 12 ASP H 1.800 . 2.700 3.075 2.942 3.193 0.493 2 0 "[ . ]" 3
53 2 9 ASP O 2 13 ARG N 2.800 2.400 3.700 6.446 6.212 6.612 2.912 8 8 [*-*****+] 3
54 2 9 ASP O 2 13 ARG H 1.800 . 2.700 5.591 5.375 5.799 3.099 8 8 [*-*****+] 3
55 2 10 ILE O 2 14 LEU N 2.800 2.400 3.700 3.258 3.054 3.440 . 0 0 "[ . ]" 3
56 2 10 ILE O 2 14 LEU H 1.800 . 2.700 2.310 2.090 2.478 . 0 0 "[ . ]" 3
57 2 30 HIS O 2 34 GLY N 2.800 2.400 3.700 3.683 3.598 3.774 0.074 8 0 "[ . ]" 3
58 2 30 HIS O 2 34 GLY H 1.800 . 2.700 2.806 2.718 2.917 0.217 8 0 "[ . ]" 3
59 2 31 ASP O 2 35 GLN N 2.800 2.400 3.700 3.006 2.915 3.167 . 0 0 "[ . ]" 3
60 2 31 ASP O 2 35 GLN H 1.800 . 2.700 2.103 2.009 2.247 . 0 0 "[ . ]" 3
61 2 32 ASP O 2 36 ARG N 2.800 2.400 3.700 3.053 2.882 3.249 . 0 0 "[ . ]" 3
62 2 32 ASP O 2 36 ARG H 1.800 . 2.700 2.104 1.934 2.288 . 0 0 "[ . ]" 3
63 2 33 VAL O 2 37 LEU N 2.800 2.400 3.700 2.821 2.788 2.868 . 0 0 "[ . ]" 3
64 2 33 VAL O 2 37 LEU H 1.800 . 2.700 1.888 1.858 1.960 . 0 0 "[ . ]" 3
65 2 34 GLY O 2 38 GLU N 2.800 2.400 3.700 2.746 2.716 2.774 . 0 0 "[ . ]" 3
66 2 34 GLY O 2 38 GLU H 1.800 . 2.700 1.856 1.830 1.868 . 0 0 "[ . ]" 3
67 2 35 GLN O 2 39 SER N 2.800 2.400 3.700 2.832 2.782 2.921 . 0 0 "[ . ]" 3
68 2 35 GLN O 2 39 SER H 1.800 . 2.700 1.958 1.883 2.048 . 0 0 "[ . ]" 3
69 2 36 ARG O 2 40 LEU N 2.800 2.400 3.700 2.883 2.814 3.069 . 0 0 "[ . ]" 3
70 2 36 ARG O 2 40 LEU H 1.800 . 2.700 1.994 1.913 2.219 . 0 0 "[ . ]" 3
71 2 37 LEU O 2 41 LEU N 2.800 2.400 3.700 3.493 3.275 3.619 . 0 0 "[ . ]" 3
72 2 37 LEU O 2 41 LEU H 1.800 . 2.700 2.577 2.326 2.717 0.017 5 0 "[ . ]" 3
73 2 38 GLU O 2 42 ARG N 2.800 2.400 3.700 2.818 2.680 2.877 . 0 0 "[ . ]" 3
74 2 38 GLU O 2 42 ARG H 1.800 . 2.700 1.860 1.771 1.899 . 0 0 "[ . ]" 3
75 2 39 SER O 2 43 ARG N 2.800 2.400 3.700 3.001 2.944 3.081 . 0 0 "[ . ]" 3
76 2 39 SER O 2 43 ARG H 1.800 . 2.700 2.094 2.003 2.180 . 0 0 "[ . ]" 3
77 2 40 LEU O 2 44 TRP N 2.800 2.400 3.700 2.708 2.655 2.768 . 0 0 "[ . ]" 3
78 2 40 LEU O 2 44 TRP H 1.800 . 2.700 1.880 1.827 1.940 . 0 0 "[ . ]" 3
79 2 41 LEU O 2 45 ASN N 2.800 2.400 3.700 2.689 2.627 2.752 . 0 0 "[ . ]" 3
80 2 41 LEU O 2 45 ASN H 1.800 . 2.700 1.755 1.728 1.783 . 0 0 "[ . ]" 3
81 2 42 ARG O 2 46 SER N 2.800 2.400 3.700 3.331 2.943 3.490 . 0 0 "[ . ]" 3
82 2 42 ARG O 2 46 SER H 1.800 . 2.700 2.489 2.036 2.683 . 0 0 "[ . ]" 3
83 2 43 ARG O 2 47 ARG N 2.800 2.400 3.700 3.020 2.923 3.106 . 0 0 "[ . ]" 3
84 2 43 ARG O 2 47 ARG H 1.800 . 2.700 2.095 1.987 2.180 . 0 0 "[ . ]" 3
85 2 44 TRP O 2 48 ARG N 2.800 2.400 3.700 3.295 3.242 3.405 . 0 0 "[ . ]" 3
86 2 44 TRP O 2 48 ARG H 1.800 . 2.700 2.418 2.362 2.548 . 0 0 "[ . ]" 3
87 2 45 ASN O 2 49 ALA N 2.800 2.400 3.700 3.179 3.044 3.256 . 0 0 "[ . ]" 3
88 2 45 ASN O 2 49 ALA H 1.800 . 2.700 2.250 2.109 2.339 . 0 0 "[ . ]" 3
89 2 46 SER O 2 50 ASP N 2.800 2.400 3.700 3.133 2.954 3.256 . 0 0 "[ . ]" 3
90 2 46 SER O 2 50 ASP H 1.800 . 2.700 2.212 2.011 2.379 . 0 0 "[ . ]" 3
91 2 47 ARG O 2 51 ALA N 2.800 2.400 3.700 4.504 3.563 5.747 2.047 2 4 "[*+* - ]" 3
92 2 47 ARG O 2 51 ALA H 1.800 . 2.700 4.685 3.858 5.390 2.690 2 8 [*+*-****] 3
93 2 48 ARG O 2 52 PRO N 2.800 2.400 3.700 6.863 5.203 9.214 5.514 2 8 [*+*****-] 3
94 2 49 ALA O 2 53 SER N 2.800 2.400 3.700 7.704 6.544 9.473 5.773 3 8 [**+**-**] 3
95 2 49 ALA O 2 53 SER H 1.800 . 2.700 7.615 5.668 9.709 7.009 3 8 [**+**-**] 3
96 2 50 ASP O 2 54 THR N 2.800 2.400 3.700 9.253 6.750 10.647 6.947 2 8 [*+*-****] 3
97 2 50 ASP O 2 54 THR H 1.800 . 2.700 9.062 6.318 10.371 7.671 2 8 [*+*-****] 3
98 2 51 ALA O 2 55 SER N 2.800 2.400 3.700 8.059 6.264 9.276 5.576 5 8 [***-+***] 3
99 2 51 ALA O 2 55 SER H 1.800 . 2.700 7.729 5.986 9.192 6.492 5 8 [***-+***] 3
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