NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438263 |
2k4i   |
16889 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4i
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 792
_Distance_constraint_stats_list.Viol_count 1198
_Distance_constraint_stats_list.Viol_total 630.523
_Distance_constraint_stats_list.Viol_max 0.637
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_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 6 VAL 0.206 0.052 19 0 "[ . 1 . 2]"
1 7 LEU 1.895 0.637 19 2 "[ . 1 . +-]"
1 8 ARG 0.442 0.123 20 0 "[ . 1 . 2]"
1 9 GLY 0.629 0.168 20 0 "[ . 1 . 2]"
1 10 LYS 0.417 0.168 20 0 "[ . 1 . 2]"
1 11 LYS 0.496 0.252 19 0 "[ . 1 . 2]"
1 12 ALA 0.536 0.079 12 0 "[ . 1 . 2]"
1 13 ASP 0.399 0.105 12 0 "[ . 1 . 2]"
1 14 GLU 0.187 0.059 2 0 "[ . 1 . 2]"
1 15 LEU 1.399 0.101 12 0 "[ . 1 . 2]"
1 16 GLU 0.304 0.105 12 0 "[ . 1 . 2]"
1 17 ARG 0.210 0.062 15 0 "[ . 1 . 2]"
1 18 ILE 0.356 0.101 12 0 "[ . 1 . 2]"
1 19 ARG 0.181 0.161 18 0 "[ . 1 . 2]"
1 20 LEU 0.470 0.166 16 0 "[ . 1 . 2]"
1 21 ARG 0.580 0.218 10 0 "[ . 1 . 2]"
1 22 PRO 1.553 0.588 12 1 "[ . 1 + . 2]"
1 23 GLY 1.104 0.588 12 1 "[ . 1 + . 2]"
1 24 GLY 0.812 0.218 10 0 "[ . 1 . 2]"
1 25 LYS 0.634 0.185 10 0 "[ . 1 . 2]"
1 26 LYS 0.412 0.189 10 0 "[ . 1 . 2]"
1 27 LYS 0.392 0.166 16 0 "[ . 1 . 2]"
1 28 TYR 0.868 0.064 11 0 "[ . 1 . 2]"
1 29 ARG 0.718 0.324 11 0 "[ . 1 . 2]"
1 30 LEU 1.088 0.324 11 0 "[ . 1 . 2]"
1 31 LYS 0.574 0.191 11 0 "[ . 1 . 2]"
1 32 HIS 0.834 0.203 11 0 "[ . 1 . 2]"
1 33 ILE 1.240 0.103 16 0 "[ . 1 . 2]"
1 34 VAL 0.794 0.158 11 0 "[ . 1 . 2]"
1 35 TRP 0.332 0.048 20 0 "[ . 1 . 2]"
1 36 ALA 0.367 0.089 19 0 "[ . 1 . 2]"
1 37 ALA 0.566 0.065 14 0 "[ . 1 . 2]"
1 38 ASN 0.172 0.048 20 0 "[ . 1 . 2]"
1 39 LYS 0.780 0.089 19 0 "[ . 1 . 2]"
1 40 LEU 1.591 0.257 19 0 "[ . 1 . 2]"
1 41 ASP 1.279 0.325 19 0 "[ . 1 . 2]"
1 42 ARG 0.531 0.064 11 0 "[ . 1 . 2]"
1 43 PHE 0.254 0.028 6 0 "[ . 1 . 2]"
1 44 GLY 0.063 0.027 18 0 "[ . 1 . 2]"
1 45 LEU 2.765 0.325 19 0 "[ . 1 . 2]"
1 46 ALA 1.009 0.200 14 0 "[ . 1 . 2]"
1 47 GLU 0.994 0.200 14 0 "[ . 1 . 2]"
1 48 SER 0.310 0.111 14 0 "[ . 1 . 2]"
1 49 LEU 0.795 0.168 14 0 "[ . 1 . 2]"
1 50 LEU 2.013 0.219 14 0 "[ . 1 . 2]"
1 51 GLU 0.641 0.244 14 0 "[ . 1 . 2]"
1 52 SER 0.352 0.244 14 0 "[ . 1 . 2]"
1 53 LYS 0.336 0.049 14 0 "[ . 1 . 2]"
1 54 GLU 0.079 0.046 14 0 "[ . 1 . 2]"
1 55 GLY 0.152 0.031 10 0 "[ . 1 . 2]"
1 56 CYS 0.038 0.009 8 0 "[ . 1 . 2]"
1 57 GLN 0.119 0.032 14 0 "[ . 1 . 2]"
1 58 LYS 1.278 0.083 10 0 "[ . 1 . 2]"
1 59 ILE 0.840 0.134 17 0 "[ . 1 . 2]"
1 60 LEU 0.384 0.134 17 0 "[ . 1 . 2]"
1 61 THR 1.135 0.083 10 0 "[ . 1 . 2]"
1 62 VAL 0.391 0.047 19 0 "[ . 1 . 2]"
1 63 LEU 0.116 0.042 9 0 "[ . 1 . 2]"
1 64 ASP 0.042 0.016 17 0 "[ . 1 . 2]"
1 65 PRO 0.016 0.016 17 0 "[ . 1 . 2]"
1 66 MET 0.245 0.132 11 0 "[ . 1 . 2]"
1 67 VAL 0.611 0.065 11 0 "[ . 1 . 2]"
1 68 PRO 0.359 0.081 13 0 "[ . 1 . 2]"
1 69 THR 0.927 0.174 17 0 "[ . 1 . 2]"
1 70 GLY 1.095 0.174 17 0 "[ . 1 . 2]"
1 71 SER 0.063 0.018 13 0 "[ . 1 . 2]"
1 72 GLU 0.076 0.018 13 0 "[ . 1 . 2]"
1 73 ASN 0.014 0.010 9 0 "[ . 1 . 2]"
1 74 LEU 0.540 0.052 9 0 "[ . 1 . 2]"
1 75 LYS 0.500 0.044 13 0 "[ . 1 . 2]"
1 76 SER 0.087 0.043 6 0 "[ . 1 . 2]"
1 77 LEU 0.337 0.052 9 0 "[ . 1 . 2]"
1 78 PHE 0.473 0.065 11 0 "[ . 1 . 2]"
1 79 ASN 0.418 0.065 12 0 "[ . 1 . 2]"
1 80 THR 0.331 0.043 7 0 "[ . 1 . 2]"
1 81 VAL 0.272 0.042 12 0 "[ . 1 . 2]"
1 82 CYS 0.304 0.049 12 0 "[ . 1 . 2]"
1 83 VAL 0.745 0.065 12 0 "[ . 1 . 2]"
1 84 ILE 1.487 0.081 12 0 "[ . 1 . 2]"
1 85 TRP 0.689 0.074 11 0 "[ . 1 . 2]"
1 86 CYS 0.589 0.067 11 0 "[ . 1 . 2]"
1 87 ILE 1.068 0.108 15 0 "[ . 1 . 2]"
1 88 HIS 0.817 0.108 15 0 "[ . 1 . 2]"
1 89 ALA 1.168 0.071 20 0 "[ . 1 . 2]"
1 90 GLU 0.908 0.160 11 0 "[ . 1 . 2]"
1 91 GLU 1.496 0.160 11 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.115 0.018 16 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.278 0.031 20 0 "[ . 1 . 2]"
1 96 THR 0.596 0.060 15 0 "[ . 1 . 2]"
1 97 GLU 0.088 0.025 17 0 "[ . 1 . 2]"
1 98 GLY 0.065 0.040 16 0 "[ . 1 . 2]"
1 99 ALA 0.178 0.022 13 0 "[ . 1 . 2]"
1 100 LYS 0.264 0.034 15 0 "[ . 1 . 2]"
1 101 GLN 0.065 0.040 16 0 "[ . 1 . 2]"
1 102 ILE 0.054 0.017 14 0 "[ . 1 . 2]"
1 103 VAL 0.392 0.033 19 0 "[ . 1 . 2]"
1 104 ARG 0.293 0.041 19 0 "[ . 1 . 2]"
1 105 ARG 0.166 0.041 19 0 "[ . 1 . 2]"
1 106 HIS 0.005 0.005 12 0 "[ . 1 . 2]"
1 107 LEU 0.132 0.057 20 0 "[ . 1 . 2]"
1 108 VAL 0.099 0.085 20 0 "[ . 1 . 2]"
1 109 ALA 0.042 0.042 20 0 "[ . 1 . 2]"
1 110 GLU 0.092 0.057 20 0 "[ . 1 . 2]"
1 111 THR 0.470 0.342 20 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 THR 0.020 0.020 20 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 GLY H 1 10 LYS H . . 2.900 2.678 2.279 3.066 0.166 20 0 "[ . 1 . 2]" 1
2 1 10 LYS H 1 11 LYS H . . 2.900 2.592 2.234 2.879 . 0 0 "[ . 1 . 2]" 1
3 1 11 LYS H 1 12 ALA H . . 2.900 2.585 2.267 2.906 0.006 15 0 "[ . 1 . 2]" 1
4 1 12 ALA H 1 13 ASP H . . 2.900 2.758 2.633 2.877 . 0 0 "[ . 1 . 2]" 1
5 1 13 ASP H 1 14 GLU H . . 2.900 2.812 2.595 2.959 0.059 2 0 "[ . 1 . 2]" 1
6 1 14 GLU H 1 15 LEU H . . 2.900 2.546 2.055 2.822 . 0 0 "[ . 1 . 2]" 1
7 1 15 LEU H 1 16 GLU H . . 2.900 2.666 2.505 2.768 . 0 0 "[ . 1 . 2]" 1
8 1 16 GLU H 1 17 ARG H . . 2.900 2.518 2.235 2.623 . 0 0 "[ . 1 . 2]" 1
9 1 17 ARG H 1 18 ILE H . . 2.900 2.292 2.104 2.451 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLY H 1 11 LYS H . . 5.000 3.696 2.410 4.334 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS H 1 12 ALA H . . 5.000 4.175 3.485 4.598 . 0 0 "[ . 1 . 2]" 1
12 1 11 LYS H 1 13 ASP H . . 5.000 4.043 3.701 4.310 . 0 0 "[ . 1 . 2]" 1
13 1 12 ALA H 1 14 GLU H . . 5.000 4.493 4.038 4.919 . 0 0 "[ . 1 . 2]" 1
14 1 13 ASP H 1 15 LEU H . . 5.000 4.098 3.862 4.368 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLU H 1 16 GLU H . . 5.000 4.135 3.634 4.428 . 0 0 "[ . 1 . 2]" 1
16 1 16 GLU H 1 18 ILE H . . 5.000 4.325 3.937 4.528 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 11 LYS H . . 5.000 4.456 2.533 5.058 0.058 19 0 "[ . 1 . 2]" 1
18 1 12 ALA H 1 15 LEU H . . 5.000 4.828 4.555 5.017 0.017 11 0 "[ . 1 . 2]" 1
19 1 13 ASP H 1 16 GLU H . . 5.000 4.766 4.623 4.996 . 0 0 "[ . 1 . 2]" 1
20 1 15 LEU H 1 18 ILE H . . 5.000 4.915 4.695 5.101 0.101 12 0 "[ . 1 . 2]" 1
21 1 8 ARG HA 1 9 GLY H . . 2.700 2.611 2.156 2.823 0.123 20 0 "[ . 1 . 2]" 1
22 1 9 GLY HA3 1 10 LYS H . . 2.700 2.632 2.442 2.868 0.168 20 0 "[ . 1 . 2]" 1
23 1 12 ALA HA 1 14 GLU H . . 5.000 4.398 3.615 5.006 0.006 1 0 "[ . 1 . 2]" 1
24 1 13 ASP HA 1 15 LEU H . . 5.000 4.499 4.191 4.870 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU HA 1 16 GLU H . . 5.000 4.487 3.940 4.728 . 0 0 "[ . 1 . 2]" 1
26 1 15 LEU HA 1 17 ARG H . . 5.000 3.758 3.571 3.964 . 0 0 "[ . 1 . 2]" 1
27 1 16 GLU HA 1 18 ILE H . . 5.000 4.345 3.956 4.780 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLY HA2 1 12 ALA H . . 5.000 3.875 3.294 4.632 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS HA 1 13 ASP H . . 5.000 3.767 3.511 4.186 . 0 0 "[ . 1 . 2]" 1
30 1 11 LYS HA 1 14 GLU H . . 5.000 3.610 3.459 3.732 . 0 0 "[ . 1 . 2]" 1
31 1 12 ALA HA 1 15 LEU H . . 5.000 3.348 2.968 3.637 . 0 0 "[ . 1 . 2]" 1
32 1 13 ASP HA 1 16 GLU H . . 5.000 3.768 3.386 4.225 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLU HA 1 17 ARG H . . 5.000 3.466 3.062 3.770 . 0 0 "[ . 1 . 2]" 1
34 1 15 LEU HA 1 18 ILE H . . 5.000 3.567 3.328 3.794 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HA 1 12 ALA H . . 5.000 4.755 3.459 5.052 0.052 20 0 "[ . 1 . 2]" 1
36 1 9 GLY HA2 1 13 ASP H . . 5.000 4.498 3.857 5.022 0.022 12 0 "[ . 1 . 2]" 1
37 1 11 LYS HA 1 15 LEU H . . 5.000 4.423 4.121 4.839 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLY HA2 1 12 ALA MB . . 3.300 2.914 2.203 3.329 0.029 19 0 "[ . 1 . 2]" 1
39 1 10 LYS HA 1 13 ASP QB . . 3.300 3.023 2.552 3.327 0.027 12 0 "[ . 1 . 2]" 1
40 1 11 LYS HA 1 14 GLU QB . . 3.300 3.142 2.892 3.311 0.011 20 0 "[ . 1 . 2]" 1
41 1 12 ALA HA 1 15 LEU HB2 . . 3.300 3.249 2.388 3.379 0.079 12 0 "[ . 1 . 2]" 1
42 1 12 ALA HA 1 15 LEU HB3 . . 3.300 2.627 2.252 3.359 0.059 19 0 "[ . 1 . 2]" 1
43 1 13 ASP HA 1 16 GLU QB . . 3.300 3.148 2.880 3.405 0.105 12 0 "[ . 1 . 2]" 1
44 1 18 ILE HA 1 19 ARG H . . 2.700 2.183 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
45 1 19 ARG HA 1 20 LEU H . . 2.700 2.265 2.150 2.437 . 0 0 "[ . 1 . 2]" 1
46 1 20 LEU H 1 21 ARG H . . 2.700 2.579 2.358 2.763 0.063 18 0 "[ . 1 . 2]" 1
47 1 23 GLY H 1 24 GLY H . . 3.300 2.442 2.001 2.943 . 0 0 "[ . 1 . 2]" 1
48 1 24 GLY HA2 1 25 LYS H . . 2.700 2.621 2.286 2.836 0.136 7 0 "[ . 1 . 2]" 1
49 1 24 GLY HA3 1 25 LYS H . . 2.700 2.511 2.323 2.885 0.185 10 0 "[ . 1 . 2]" 1
50 1 25 LYS H 1 26 LYS H . . 2.700 2.108 1.784 2.805 0.105 7 0 "[ . 1 . 2]" 1
51 1 26 LYS HA 1 27 LYS H . . 2.700 2.180 2.140 2.312 . 0 0 "[ . 1 . 2]" 1
52 1 27 LYS HA 1 28 TYR H . . 2.700 2.324 2.193 2.617 . 0 0 "[ . 1 . 2]" 1
53 1 28 TYR HA 1 29 ARG H . . 2.700 2.232 2.169 2.326 . 0 0 "[ . 1 . 2]" 1
54 1 16 GLU HA 1 29 ARG HA . . 5.000 4.427 3.729 5.041 0.041 16 0 "[ . 1 . 2]" 1
55 1 19 ARG HA 1 27 LYS HA . . 2.700 2.014 1.708 2.720 0.020 10 0 "[ . 1 . 2]" 1
56 1 19 ARG QB 1 27 LYS HA . . 5.000 3.894 3.453 4.802 . 0 0 "[ . 1 . 2]" 1
57 1 16 GLU HA 1 28 TYR H . . 5.000 4.077 3.376 4.399 . 0 0 "[ . 1 . 2]" 1
58 1 19 ARG HA 1 28 TYR H . . 5.000 3.420 2.897 4.030 . 0 0 "[ . 1 . 2]" 1
59 1 20 LEU H 1 27 LYS HA . . 3.300 3.127 1.910 3.466 0.166 16 0 "[ . 1 . 2]" 1
60 1 21 ARG H 1 24 GLY HA3 . . 5.000 4.106 3.782 5.218 0.218 10 0 "[ . 1 . 2]" 1
61 1 22 PRO HA 1 24 GLY H . . 5.000 4.203 3.433 4.564 . 0 0 "[ . 1 . 2]" 1
62 1 18 ILE H 1 28 TYR H . . 5.000 4.605 3.947 4.985 . 0 0 "[ . 1 . 2]" 1
63 1 19 ARG H 1 96 THR H . . 5.000 4.318 3.735 4.726 . 0 0 "[ . 1 . 2]" 1
64 1 20 LEU H 1 26 LYS H . . 5.000 4.258 3.028 4.923 . 0 0 "[ . 1 . 2]" 1
65 1 21 ARG H 1 24 GLY H . . 5.000 4.052 3.726 4.444 . 0 0 "[ . 1 . 2]" 1
66 1 29 ARG H 1 30 LEU H . . 5.000 4.285 2.223 4.431 . 0 0 "[ . 1 . 2]" 1
67 1 30 LEU H 1 31 LYS H . . 2.900 2.820 2.118 3.091 0.191 11 0 "[ . 1 . 2]" 1
68 1 31 LYS H 1 32 HIS H . . 2.900 2.811 2.569 2.919 0.019 8 0 "[ . 1 . 2]" 1
69 1 32 HIS H 1 33 ILE H . . 2.900 2.671 2.532 2.841 . 0 0 "[ . 1 . 2]" 1
70 1 33 ILE H 1 34 VAL H . . 2.900 2.660 2.538 2.755 . 0 0 "[ . 1 . 2]" 1
71 1 34 VAL H 1 35 TRP H . . 2.900 2.607 2.443 2.713 . 0 0 "[ . 1 . 2]" 1
72 1 35 TRP H 1 36 ALA H . . 2.900 2.560 2.469 2.663 . 0 0 "[ . 1 . 2]" 1
73 1 36 ALA H 1 37 ALA H . . 2.900 2.609 2.454 2.809 . 0 0 "[ . 1 . 2]" 1
74 1 37 ALA H 1 38 ASN H . . 2.900 2.692 2.588 2.802 . 0 0 "[ . 1 . 2]" 1
75 1 38 ASN H 1 39 LYS H . . 2.900 2.661 2.465 2.784 . 0 0 "[ . 1 . 2]" 1
76 1 39 LYS H 1 40 LEU H . . 2.900 2.537 2.461 2.618 . 0 0 "[ . 1 . 2]" 1
77 1 40 LEU H 1 41 ASP H . . 2.900 2.807 2.673 2.924 0.024 9 0 "[ . 1 . 2]" 1
78 1 41 ASP H 1 42 ARG H . . 2.900 2.824 2.596 2.922 0.022 7 0 "[ . 1 . 2]" 1
79 1 42 ARG H 1 43 PHE H . . 2.900 2.792 2.396 2.915 0.015 9 0 "[ . 1 . 2]" 1
80 1 43 PHE H 1 44 GLY H . . 2.900 2.737 2.201 2.927 0.027 18 0 "[ . 1 . 2]" 1
81 1 44 GLY H 1 45 LEU H . . 2.900 2.121 1.814 2.678 . 0 0 "[ . 1 . 2]" 1
82 1 30 LEU H 1 32 HIS H . . 5.000 4.434 3.319 4.667 . 0 0 "[ . 1 . 2]" 1
83 1 31 LYS H 1 33 ILE H . . 5.000 4.242 4.118 4.420 . 0 0 "[ . 1 . 2]" 1
84 1 32 HIS H 1 34 VAL H . . 5.000 4.203 3.897 4.488 . 0 0 "[ . 1 . 2]" 1
85 1 33 ILE H 1 35 TRP H . . 5.000 4.169 3.993 4.332 . 0 0 "[ . 1 . 2]" 1
86 1 34 VAL H 1 36 ALA H . . 5.000 3.918 3.796 4.135 . 0 0 "[ . 1 . 2]" 1
87 1 35 TRP H 1 37 ALA H . . 5.000 4.454 4.302 4.700 . 0 0 "[ . 1 . 2]" 1
88 1 36 ALA H 1 38 ASN H . . 5.000 3.884 3.726 4.025 . 0 0 "[ . 1 . 2]" 1
89 1 37 ALA H 1 39 LYS H . . 5.000 4.166 4.011 4.299 . 0 0 "[ . 1 . 2]" 1
90 1 38 ASN H 1 40 LEU H . . 5.000 4.213 3.934 4.473 . 0 0 "[ . 1 . 2]" 1
91 1 39 LYS H 1 41 ASP H . . 5.000 4.297 3.733 4.696 . 0 0 "[ . 1 . 2]" 1
92 1 40 LEU H 1 42 ARG H . . 5.000 4.324 3.964 4.721 . 0 0 "[ . 1 . 2]" 1
93 1 41 ASP H 1 43 PHE H . . 5.000 4.380 3.777 4.889 . 0 0 "[ . 1 . 2]" 1
94 1 42 ARG H 1 44 GLY H . . 5.000 4.214 3.892 4.449 . 0 0 "[ . 1 . 2]" 1
95 1 43 PHE H 1 45 LEU H . . 5.000 4.330 3.194 5.013 0.013 19 0 "[ . 1 . 2]" 1
96 1 29 ARG H 1 32 HIS H . . 5.000 3.210 3.044 3.871 . 0 0 "[ . 1 . 2]" 1
97 1 30 LEU H 1 33 ILE H . . 5.000 4.911 3.967 5.103 0.103 16 0 "[ . 1 . 2]" 1
98 1 31 LYS H 1 34 VAL H . . 5.000 4.943 4.764 5.158 0.158 11 0 "[ . 1 . 2]" 1
99 1 34 VAL H 1 37 ALA H . . 5.000 4.932 4.792 5.034 0.034 9 0 "[ . 1 . 2]" 1
100 1 35 TRP H 1 38 ASN H . . 5.000 4.886 4.648 5.048 0.048 20 0 "[ . 1 . 2]" 1
101 1 36 ALA H 1 39 LYS H . . 5.000 4.825 4.560 5.089 0.089 19 0 "[ . 1 . 2]" 1
102 1 37 ALA H 1 40 LEU H . . 5.000 4.918 4.728 5.056 0.056 8 0 "[ . 1 . 2]" 1
103 1 39 LYS H 1 42 ARG H . . 5.000 4.997 4.847 5.064 0.064 11 0 "[ . 1 . 2]" 1
104 1 29 ARG HA 1 30 LEU H . . 2.700 2.488 2.357 3.024 0.324 11 0 "[ . 1 . 2]" 1
105 1 37 ALA HA 1 39 LYS H . . 5.000 4.096 3.793 4.361 . 0 0 "[ . 1 . 2]" 1
106 1 38 ASN HA 1 40 LEU H . . 5.000 4.454 4.215 4.803 . 0 0 "[ . 1 . 2]" 1
107 1 42 ARG HA 1 44 GLY H . . 5.000 4.560 3.419 4.972 . 0 0 "[ . 1 . 2]" 1
108 1 30 LEU HA 1 33 ILE H . . 5.000 3.191 3.014 3.427 . 0 0 "[ . 1 . 2]" 1
109 1 31 LYS HA 1 34 VAL H . . 5.000 3.778 3.584 4.020 . 0 0 "[ . 1 . 2]" 1
110 1 32 HIS HA 1 35 TRP H . . 5.000 3.414 3.159 3.690 . 0 0 "[ . 1 . 2]" 1
111 1 33 ILE HA 1 36 ALA H . . 5.000 3.527 3.364 3.739 . 0 0 "[ . 1 . 2]" 1
112 1 34 VAL HA 1 37 ALA H . . 5.000 3.619 3.295 3.881 . 0 0 "[ . 1 . 2]" 1
113 1 35 TRP HA 1 38 ASN H . . 5.000 3.709 3.372 3.888 . 0 0 "[ . 1 . 2]" 1
114 1 36 ALA HA 1 39 LYS H . . 5.000 3.610 3.452 3.776 . 0 0 "[ . 1 . 2]" 1
115 1 37 ALA HA 1 40 LEU H . . 5.000 3.314 3.182 3.535 . 0 0 "[ . 1 . 2]" 1
116 1 38 ASN HA 1 41 ASP H . . 5.000 3.825 3.693 4.055 . 0 0 "[ . 1 . 2]" 1
117 1 39 LYS HA 1 42 ARG H . . 5.000 3.610 3.246 3.793 . 0 0 "[ . 1 . 2]" 1
118 1 40 LEU HA 1 43 PHE H . . 5.000 3.723 3.159 3.930 . 0 0 "[ . 1 . 2]" 1
119 1 41 ASP HA 1 44 GLY H . . 5.000 3.776 3.107 4.307 . 0 0 "[ . 1 . 2]" 1
120 1 31 LYS HA 1 35 TRP H . . 5.000 4.359 3.744 4.596 . 0 0 "[ . 1 . 2]" 1
121 1 32 HIS HA 1 36 ALA H . . 5.000 4.267 3.722 4.483 . 0 0 "[ . 1 . 2]" 1
122 1 30 LEU HA 1 33 ILE HB . . 3.300 2.912 2.531 3.363 0.063 11 0 "[ . 1 . 2]" 1
123 1 31 LYS HA 1 34 VAL HB . . 3.300 3.228 2.883 3.318 0.018 9 0 "[ . 1 . 2]" 1
124 1 32 HIS HA 1 35 TRP QB . . 3.300 2.620 2.399 2.791 . 0 0 "[ . 1 . 2]" 1
125 1 33 ILE HA 1 36 ALA MB . . 3.300 2.576 2.384 2.920 . 0 0 "[ . 1 . 2]" 1
126 1 34 VAL HA 1 37 ALA MB . . 3.300 3.106 2.743 3.313 0.013 12 0 "[ . 1 . 2]" 1
127 1 35 TRP HA 1 38 ASN QB . . 3.300 2.691 2.293 3.030 . 0 0 "[ . 1 . 2]" 1
128 1 36 ALA HA 1 39 LYS QB . . 3.300 3.031 2.689 3.302 0.002 7 0 "[ . 1 . 2]" 1
129 1 37 ALA HA 1 40 LEU QB . . 5.000 2.826 2.398 3.164 . 0 0 "[ . 1 . 2]" 1
130 1 38 ASN HA 1 41 ASP QB . . 3.300 3.099 2.765 3.308 0.008 5 0 "[ . 1 . 2]" 1
131 1 39 LYS HA 1 42 ARG QB . . 3.300 2.950 2.673 3.325 0.025 14 0 "[ . 1 . 2]" 1
132 1 40 LEU HA 1 43 PHE HB2 . . 5.000 2.746 2.012 3.251 . 0 0 "[ . 1 . 2]" 1
133 1 41 ASP HA 1 45 LEU H . . 5.000 4.510 3.630 5.325 0.325 19 0 "[ . 1 . 2]" 1
134 1 44 GLY QA 1 45 LEU H . . 3.300 2.840 2.600 2.915 . 0 0 "[ . 1 . 2]" 1
135 1 45 LEU HA 1 46 ALA H . . 2.700 2.330 2.151 2.443 . 0 0 "[ . 1 . 2]" 1
136 1 46 ALA H 1 47 GLU H . . 5.000 4.480 2.784 4.628 . 0 0 "[ . 1 . 2]" 1
137 1 46 ALA HA 1 47 GLU H . . 2.700 2.386 2.198 2.900 0.200 14 0 "[ . 1 . 2]" 1
138 1 47 GLU H 1 48 SER H . . 2.700 2.383 2.074 2.761 0.061 14 0 "[ . 1 . 2]" 1
139 1 48 SER H 1 49 LEU H . . 2.700 2.632 2.566 2.722 0.022 9 0 "[ . 1 . 2]" 1
140 1 49 LEU H 1 50 LEU H . . 2.700 2.545 2.158 2.839 0.139 9 0 "[ . 1 . 2]" 1
141 1 50 LEU H 1 51 GLU H . . 2.700 2.343 1.871 2.919 0.219 14 0 "[ . 1 . 2]" 1
142 1 51 GLU H 1 52 SER H . . 2.700 2.584 2.105 2.944 0.244 14 0 "[ . 1 . 2]" 1
143 1 48 SER H 1 50 LEU H . . 5.000 4.311 4.179 4.573 . 0 0 "[ . 1 . 2]" 1
144 1 49 LEU H 1 51 GLU H . . 5.000 4.268 3.629 4.575 . 0 0 "[ . 1 . 2]" 1
145 1 50 LEU H 1 52 SER H . . 5.000 4.225 3.481 4.743 . 0 0 "[ . 1 . 2]" 1
146 1 51 GLU HA 1 52 SER H . . 5.000 3.019 2.852 3.537 . 0 0 "[ . 1 . 2]" 1
147 1 47 GLU HA 1 49 LEU H . . 5.000 3.417 3.189 3.662 . 0 0 "[ . 1 . 2]" 1
148 1 49 LEU HA 1 52 SER H . . 5.000 4.044 3.473 4.454 . 0 0 "[ . 1 . 2]" 1
149 1 53 LYS H 1 54 GLU H . . 2.900 2.774 2.319 2.946 0.046 14 0 "[ . 1 . 2]" 1
150 1 54 GLU H 1 55 GLY H . . 2.900 2.672 2.412 2.865 . 0 0 "[ . 1 . 2]" 1
151 1 55 GLY H 1 56 CYS H . . 2.900 2.647 2.448 2.761 . 0 0 "[ . 1 . 2]" 1
152 1 56 CYS H 1 57 GLN H . . 2.900 2.653 2.463 2.792 . 0 0 "[ . 1 . 2]" 1
153 1 57 GLN H 1 58 LYS H . . 2.900 2.594 2.491 2.689 . 0 0 "[ . 1 . 2]" 1
154 1 58 LYS H 1 59 ILE H . . 2.900 2.485 2.406 2.571 . 0 0 "[ . 1 . 2]" 1
155 1 59 ILE H 1 60 LEU H . . 2.900 2.383 2.313 2.485 . 0 0 "[ . 1 . 2]" 1
156 1 60 LEU H 1 61 THR H . . 2.900 2.632 2.473 2.718 . 0 0 "[ . 1 . 2]" 1
157 1 61 THR H 1 62 VAL H . . 2.900 2.535 2.439 2.643 . 0 0 "[ . 1 . 2]" 1
158 1 62 VAL H 1 63 LEU H . . 2.900 2.343 2.244 2.461 . 0 0 "[ . 1 . 2]" 1
159 1 63 LEU H 1 64 ASP H . . 2.900 2.349 2.165 2.485 . 0 0 "[ . 1 . 2]" 1
160 1 53 LYS H 1 55 GLY H . . 5.000 4.128 3.671 4.401 . 0 0 "[ . 1 . 2]" 1
161 1 54 GLU H 1 56 CYS H . . 5.000 4.309 4.108 4.479 . 0 0 "[ . 1 . 2]" 1
162 1 55 GLY H 1 57 GLN H . . 5.000 3.986 3.823 4.150 . 0 0 "[ . 1 . 2]" 1
163 1 56 CYS H 1 58 LYS H . . 5.000 4.220 4.106 4.361 . 0 0 "[ . 1 . 2]" 1
164 1 57 GLN H 1 59 ILE H . . 5.000 3.934 3.788 4.106 . 0 0 "[ . 1 . 2]" 1
165 1 58 LYS H 1 60 LEU H . . 5.000 4.354 4.030 4.563 . 0 0 "[ . 1 . 2]" 1
166 1 59 ILE H 1 61 THR H . . 5.000 3.698 3.526 3.996 . 0 0 "[ . 1 . 2]" 1
167 1 60 LEU H 1 62 VAL H . . 5.000 4.178 3.902 4.288 . 0 0 "[ . 1 . 2]" 1
168 1 61 THR H 1 63 LEU H . . 5.000 4.023 3.829 4.232 . 0 0 "[ . 1 . 2]" 1
169 1 62 VAL H 1 64 ASP H . . 5.000 3.617 3.480 3.720 . 0 0 "[ . 1 . 2]" 1
170 1 52 SER H 1 55 GLY H . . 5.000 4.545 4.222 5.015 0.015 14 0 "[ . 1 . 2]" 1
171 1 52 SER H 1 56 CYS H . . 5.000 4.116 3.726 5.001 0.001 1 0 "[ . 1 . 2]" 1
172 1 52 SER HA 1 53 LYS H . . 2.700 2.168 2.137 2.400 . 0 0 "[ . 1 . 2]" 1
173 1 52 SER HA 1 55 GLY H . . 5.000 4.385 4.053 4.735 . 0 0 "[ . 1 . 2]" 1
174 1 53 LYS HA 1 56 CYS H . . 5.000 3.564 3.347 3.796 . 0 0 "[ . 1 . 2]" 1
175 1 54 GLU HA 1 57 GLN H . . 5.000 3.692 3.418 3.873 . 0 0 "[ . 1 . 2]" 1
176 1 55 GLY HA2 1 58 LYS H . . 5.000 3.511 3.314 3.747 . 0 0 "[ . 1 . 2]" 1
177 1 56 CYS HA 1 59 ILE H . . 5.000 3.416 3.211 3.592 . 0 0 "[ . 1 . 2]" 1
178 1 57 GLN HA 1 60 LEU H . . 5.000 3.488 3.318 3.635 . 0 0 "[ . 1 . 2]" 1
179 1 58 LYS HA 1 61 THR H . . 5.000 3.727 3.492 3.838 . 0 0 "[ . 1 . 2]" 1
180 1 59 ILE HA 1 62 VAL H . . 5.000 3.455 3.344 3.534 . 0 0 "[ . 1 . 2]" 1
181 1 60 LEU HA 1 63 LEU H . . 5.000 3.287 3.182 3.389 . 0 0 "[ . 1 . 2]" 1
182 1 61 THR HA 1 64 ASP H . . 5.000 3.629 3.317 3.889 . 0 0 "[ . 1 . 2]" 1
183 1 57 GLN HA 1 61 THR H . . 5.000 4.512 4.223 4.729 . 0 0 "[ . 1 . 2]" 1
184 1 58 LYS HA 1 62 VAL H . . 5.000 4.917 4.671 5.029 0.029 7 0 "[ . 1 . 2]" 1
185 1 54 GLU HA 1 57 GLN QB . . 3.300 2.884 2.430 3.317 0.017 14 0 "[ . 1 . 2]" 1
186 1 55 GLY HA2 1 58 LYS QB . . 3.300 3.041 2.699 3.318 0.018 10 0 "[ . 1 . 2]" 1
187 1 56 CYS HA 1 59 ILE HB . . 5.000 3.080 2.512 3.574 . 0 0 "[ . 1 . 2]" 1
188 1 57 GLN HA 1 60 LEU HB3 . . 5.000 4.836 4.700 5.032 0.032 14 0 "[ . 1 . 2]" 1
189 1 59 ILE HA 1 62 VAL HB . . 3.300 3.230 2.918 3.336 0.036 1 0 "[ . 1 . 2]" 1
190 1 60 LEU HA 1 63 LEU HB3 . . 5.000 4.410 4.030 5.042 0.042 9 0 "[ . 1 . 2]" 1
191 1 61 THR HA 1 64 ASP HB2 . . 5.000 2.847 2.197 3.807 . 0 0 "[ . 1 . 2]" 1
192 1 66 MET H 1 67 VAL H . . 2.900 2.285 2.062 2.414 . 0 0 "[ . 1 . 2]" 1
193 1 69 THR H 1 70 GLY H . . 2.900 2.766 2.449 3.074 0.174 17 0 "[ . 1 . 2]" 1
194 1 67 VAL H 1 69 THR H . . 5.000 3.938 3.714 4.284 . 0 0 "[ . 1 . 2]" 1
195 1 70 GLY HA2 1 71 SER H . . 2.700 2.438 2.151 2.662 . 0 0 "[ . 1 . 2]" 1
196 1 70 GLY HA3 1 71 SER H . . 3.300 2.728 2.467 3.156 . 0 0 "[ . 1 . 2]" 1
197 1 64 ASP HA 1 66 MET H . . 5.000 3.977 3.811 4.138 . 0 0 "[ . 1 . 2]" 1
198 1 65 PRO HA 1 67 VAL H . . 5.000 3.895 3.659 4.130 . 0 0 "[ . 1 . 2]" 1
199 1 67 VAL HA 1 69 THR H . . 5.000 4.123 3.672 5.004 0.004 8 0 "[ . 1 . 2]" 1
200 1 63 LEU HA 1 66 MET H . . 5.000 3.253 3.127 3.355 . 0 0 "[ . 1 . 2]" 1
201 1 64 ASP HA 1 67 VAL H . . 5.000 3.820 3.660 4.102 . 0 0 "[ . 1 . 2]" 1
202 1 66 MET HA 1 69 THR H . . 5.000 3.429 3.042 3.586 . 0 0 "[ . 1 . 2]" 1
203 1 67 VAL HA 1 70 GLY H . . 5.000 4.369 4.102 4.598 . 0 0 "[ . 1 . 2]" 1
204 1 66 MET HA 1 70 GLY H . . 5.000 4.855 4.550 5.132 0.132 11 0 "[ . 1 . 2]" 1
205 1 72 GLU H 1 73 ASN H . . 2.900 2.629 2.353 2.807 . 0 0 "[ . 1 . 2]" 1
206 1 73 ASN H 1 74 LEU H . . 2.900 2.644 2.496 2.762 . 0 0 "[ . 1 . 2]" 1
207 1 74 LEU H 1 75 LYS H . . 2.900 2.401 2.245 2.537 . 0 0 "[ . 1 . 2]" 1
208 1 75 LYS H 1 76 SER H . . 2.900 2.776 2.612 2.845 . 0 0 "[ . 1 . 2]" 1
209 1 76 SER H 1 77 LEU H . . 2.900 2.799 2.728 2.884 . 0 0 "[ . 1 . 2]" 1
210 1 77 LEU H 1 78 PHE H . . 2.900 2.636 2.477 2.755 . 0 0 "[ . 1 . 2]" 1
211 1 78 PHE H 1 79 ASN H . . 2.900 2.712 2.479 2.934 0.034 17 0 "[ . 1 . 2]" 1
212 1 79 ASN H 1 80 THR H . . 2.900 2.561 2.391 2.847 . 0 0 "[ . 1 . 2]" 1
213 1 80 THR H 1 81 VAL H . . 2.900 2.587 2.313 2.762 . 0 0 "[ . 1 . 2]" 1
214 1 81 VAL H 1 82 CYS H . . 2.900 2.712 2.420 2.924 0.024 6 0 "[ . 1 . 2]" 1
215 1 82 CYS H 1 83 VAL H . . 2.900 2.609 2.498 2.889 . 0 0 "[ . 1 . 2]" 1
216 1 83 VAL H 1 84 ILE H . . 2.900 2.544 2.075 2.752 . 0 0 "[ . 1 . 2]" 1
217 1 84 ILE H 1 85 TRP H . . 2.900 2.769 2.596 2.974 0.074 11 0 "[ . 1 . 2]" 1
218 1 85 TRP H 1 86 CYS H . . 2.900 2.678 2.474 2.854 . 0 0 "[ . 1 . 2]" 1
219 1 86 CYS H 1 87 ILE H . . 2.900 2.792 2.549 2.967 0.067 11 0 "[ . 1 . 2]" 1
220 1 87 ILE H 1 88 HIS H . . 2.900 2.686 2.390 2.882 . 0 0 "[ . 1 . 2]" 1
221 1 88 HIS H 1 89 ALA H . . 2.900 2.491 2.372 2.583 . 0 0 "[ . 1 . 2]" 1
222 1 89 ALA H 1 90 GLU H . . 2.900 2.609 2.515 2.736 . 0 0 "[ . 1 . 2]" 1
223 1 74 LEU H 1 76 SER H . . 5.000 3.678 3.459 3.918 . 0 0 "[ . 1 . 2]" 1
224 1 75 LYS H 1 77 LEU H . . 5.000 4.537 4.374 4.764 . 0 0 "[ . 1 . 2]" 1
225 1 76 SER H 1 78 PHE H . . 5.000 4.060 3.865 4.333 . 0 0 "[ . 1 . 2]" 1
226 1 77 LEU H 1 79 ASN H . . 5.000 4.255 4.088 4.579 . 0 0 "[ . 1 . 2]" 1
227 1 78 PHE H 1 80 THR H . . 5.000 4.086 3.814 4.374 . 0 0 "[ . 1 . 2]" 1
228 1 79 ASN H 1 81 VAL H . . 5.000 4.227 4.041 4.422 . 0 0 "[ . 1 . 2]" 1
229 1 80 THR H 1 82 CYS H . . 5.000 3.969 3.743 4.520 . 0 0 "[ . 1 . 2]" 1
230 1 81 VAL H 1 83 VAL H . . 5.000 4.264 3.961 4.517 . 0 0 "[ . 1 . 2]" 1
231 1 82 CYS H 1 84 ILE H . . 5.000 4.232 3.918 4.715 . 0 0 "[ . 1 . 2]" 1
232 1 83 VAL H 1 85 TRP H . . 5.000 4.065 3.505 4.401 . 0 0 "[ . 1 . 2]" 1
233 1 84 ILE H 1 86 CYS H . . 5.000 4.268 4.096 4.607 . 0 0 "[ . 1 . 2]" 1
234 1 85 TRP H 1 87 ILE H . . 5.000 4.282 3.872 4.679 . 0 0 "[ . 1 . 2]" 1
235 1 86 CYS H 1 88 HIS H . . 5.000 4.199 4.022 4.379 . 0 0 "[ . 1 . 2]" 1
236 1 87 ILE H 1 89 ALA H . . 5.000 4.039 3.653 4.275 . 0 0 "[ . 1 . 2]" 1
237 1 88 HIS H 1 90 GLU H . . 5.000 3.962 3.723 4.163 . 0 0 "[ . 1 . 2]" 1
238 1 89 ALA H 1 91 GLU H . . 5.000 3.660 3.240 4.226 . 0 0 "[ . 1 . 2]" 1
239 1 71 SER H 1 74 LEU H . . 5.000 3.846 3.042 4.306 . 0 0 "[ . 1 . 2]" 1
240 1 72 GLU H 1 75 LYS H . . 5.000 4.883 4.630 5.009 0.009 10 0 "[ . 1 . 2]" 1
241 1 74 LEU H 1 77 LEU H . . 5.000 4.965 4.772 5.052 0.052 9 0 "[ . 1 . 2]" 1
242 1 75 LYS H 1 78 PHE H . . 5.000 4.898 4.676 5.030 0.030 11 0 "[ . 1 . 2]" 1
243 1 76 SER H 1 79 ASN H . . 5.000 4.938 4.778 5.043 0.043 6 0 "[ . 1 . 2]" 1
244 1 71 SER HA 1 72 GLU H . . 2.700 2.589 2.426 2.718 0.018 13 0 "[ . 1 . 2]" 1
245 1 71 SER HB2 1 73 ASN H . . 5.000 3.408 2.694 3.892 . 0 0 "[ . 1 . 2]" 1
246 1 72 GLU HA 1 75 LYS H . . 5.000 3.338 3.067 3.627 . 0 0 "[ . 1 . 2]" 1
247 1 73 ASN HA 1 76 SER H . . 5.000 4.075 3.746 4.288 . 0 0 "[ . 1 . 2]" 1
248 1 74 LEU HA 1 77 LEU H . . 5.000 3.553 3.462 3.773 . 0 0 "[ . 1 . 2]" 1
249 1 75 LYS HA 1 78 PHE H . . 5.000 3.361 3.165 3.545 . 0 0 "[ . 1 . 2]" 1
250 1 76 SER HA 1 79 ASN H . . 5.000 3.670 3.548 3.882 . 0 0 "[ . 1 . 2]" 1
251 1 77 LEU HA 1 80 THR H . . 5.000 3.325 3.137 3.679 . 0 0 "[ . 1 . 2]" 1
252 1 78 PHE HA 1 81 VAL H . . 5.000 3.615 3.304 3.854 . 0 0 "[ . 1 . 2]" 1
253 1 79 ASN HA 1 82 CYS H . . 5.000 3.719 3.417 3.926 . 0 0 "[ . 1 . 2]" 1
254 1 80 THR HA 1 83 VAL H . . 5.000 3.448 3.294 3.899 . 0 0 "[ . 1 . 2]" 1
255 1 81 VAL HA 1 84 ILE H . . 5.000 3.471 3.224 3.755 . 0 0 "[ . 1 . 2]" 1
256 1 82 CYS HA 1 85 TRP H . . 5.000 3.874 3.592 4.223 . 0 0 "[ . 1 . 2]" 1
257 1 83 VAL HA 1 86 CYS H . . 5.000 3.454 3.239 3.820 . 0 0 "[ . 1 . 2]" 1
258 1 84 ILE HA 1 87 ILE H . . 5.000 3.700 3.471 3.898 . 0 0 "[ . 1 . 2]" 1
259 1 85 TRP HA 1 88 HIS H . . 5.000 3.491 3.323 3.682 . 0 0 "[ . 1 . 2]" 1
260 1 86 CYS HA 1 89 ALA H . . 5.000 3.239 2.989 3.516 . 0 0 "[ . 1 . 2]" 1
261 1 87 ILE HA 1 90 GLU H . . 5.000 4.043 3.840 4.246 . 0 0 "[ . 1 . 2]" 1
262 1 74 LEU HA 1 78 PHE H . . 5.000 4.563 4.123 4.928 . 0 0 "[ . 1 . 2]" 1
263 1 75 LYS HA 1 79 ASN H . . 5.000 4.354 3.896 4.746 . 0 0 "[ . 1 . 2]" 1
264 1 79 ASN HA 1 83 VAL H . . 5.000 4.936 4.696 5.065 0.065 12 0 "[ . 1 . 2]" 1
265 1 80 THR HA 1 84 ILE H . . 5.000 4.357 3.954 4.717 . 0 0 "[ . 1 . 2]" 1
266 1 81 VAL HA 1 85 TRP H . . 5.000 4.123 3.703 4.609 . 0 0 "[ . 1 . 2]" 1
267 1 84 ILE HA 1 88 HIS H . . 5.000 4.723 4.409 5.001 0.001 15 0 "[ . 1 . 2]" 1
268 1 85 TRP HA 1 89 ALA H . . 5.000 4.268 3.972 4.515 . 0 0 "[ . 1 . 2]" 1
269 1 72 GLU HA 1 75 LYS QB . . 3.300 2.682 2.358 2.958 . 0 0 "[ . 1 . 2]" 1
270 1 73 ASN HA 1 76 SER QB . . 3.300 3.151 2.949 3.304 0.004 14 0 "[ . 1 . 2]" 1
271 1 74 LEU HA 1 77 LEU QB . . 3.300 3.187 2.850 3.329 0.029 20 0 "[ . 1 . 2]" 1
272 1 75 LYS HA 1 78 PHE QB . . 3.300 2.491 2.188 2.660 . 0 0 "[ . 1 . 2]" 1
273 1 76 SER HA 1 79 ASN QB . . 3.300 3.092 2.845 3.304 0.004 7 0 "[ . 1 . 2]" 1
274 1 77 LEU HA 1 80 THR HB . . 3.300 2.873 2.408 3.167 . 0 0 "[ . 1 . 2]" 1
275 1 78 PHE HA 1 81 VAL HB . . 3.300 3.035 2.739 3.308 0.008 6 0 "[ . 1 . 2]" 1
276 1 79 ASN HA 1 82 CYS QB . . 3.300 3.022 2.642 3.308 0.008 10 0 "[ . 1 . 2]" 1
277 1 80 THR HA 1 83 VAL HB . . 3.300 3.221 2.963 3.343 0.043 7 0 "[ . 1 . 2]" 1
278 1 81 VAL HA 1 84 ILE HB . . 3.300 2.846 2.407 3.225 . 0 0 "[ . 1 . 2]" 1
279 1 82 CYS HA 1 85 TRP QB . . 3.300 3.150 2.676 3.349 0.049 12 0 "[ . 1 . 2]" 1
280 1 83 VAL HA 1 86 CYS QB . . 3.300 2.642 2.374 2.886 . 0 0 "[ . 1 . 2]" 1
281 1 84 ILE HA 1 87 ILE HB . . 3.300 3.237 3.061 3.332 0.032 19 0 "[ . 1 . 2]" 1
282 1 85 TRP HA 1 88 HIS QB . . 3.300 3.013 2.704 3.314 0.014 8 0 "[ . 1 . 2]" 1
283 1 86 CYS HA 1 89 ALA MB . . 2.700 2.684 2.362 2.763 0.063 20 0 "[ . 1 . 2]" 1
284 1 90 GLU H 1 91 GLU H . . 2.700 2.687 2.564 2.860 0.160 11 0 "[ . 1 . 2]" 1
285 1 91 GLU HA 1 92 LYS H . . 2.700 2.181 2.137 2.251 . 0 0 "[ . 1 . 2]" 1
286 1 92 LYS HA 1 93 VAL H . . 2.700 2.161 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
287 1 93 VAL HA 1 94 LYS H . . 2.700 2.299 2.153 2.683 . 0 0 "[ . 1 . 2]" 1
288 1 94 LYS H 1 95 ASP H . . 2.700 2.283 1.890 2.532 . 0 0 "[ . 1 . 2]" 1
289 1 18 ILE HA 1 94 LYS HA . . 5.000 3.645 3.236 4.084 . 0 0 "[ . 1 . 2]" 1
290 1 93 VAL HA 1 95 ASP H . . 5.000 4.131 3.848 4.489 . 0 0 "[ . 1 . 2]" 1
291 1 95 ASP HA 1 96 THR H . . 2.700 2.643 2.446 2.694 . 0 0 "[ . 1 . 2]" 1
292 1 19 ARG H 1 95 ASP HA . . 2.700 2.145 1.934 2.465 . 0 0 "[ . 1 . 2]" 1
293 1 20 LEU HA 1 96 THR H . . 5.000 3.783 3.227 4.200 . 0 0 "[ . 1 . 2]" 1
294 1 22 PRO HD3 1 96 THR H . . 5.000 4.649 3.597 5.060 0.060 15 0 "[ . 1 . 2]" 1
295 1 19 ARG H 1 95 ASP H . . 5.000 4.509 4.146 4.899 . 0 0 "[ . 1 . 2]" 1
296 1 96 THR H 1 97 GLU H . . 2.900 2.512 2.339 2.672 . 0 0 "[ . 1 . 2]" 1
297 1 97 GLU H 1 98 GLY H . . 2.900 2.755 2.503 2.864 . 0 0 "[ . 1 . 2]" 1
298 1 98 GLY H 1 99 ALA H . . 2.900 2.655 2.390 2.791 . 0 0 "[ . 1 . 2]" 1
299 1 99 ALA H 1 100 LYS H . . 2.900 2.619 2.463 2.809 . 0 0 "[ . 1 . 2]" 1
300 1 100 LYS H 1 101 GLN H . . 2.900 2.645 2.478 2.808 . 0 0 "[ . 1 . 2]" 1
301 1 101 GLN H 1 102 ILE H . . 2.900 2.614 2.462 2.850 . 0 0 "[ . 1 . 2]" 1
302 1 102 ILE H 1 103 VAL H . . 2.900 2.776 2.666 2.903 0.003 1 0 "[ . 1 . 2]" 1
303 1 103 VAL H 1 104 ARG H . . 2.900 2.754 2.587 2.900 . 0 0 "[ . 1 . 2]" 1
304 1 104 ARG H 1 105 ARG H . . 2.900 2.844 2.587 2.941 0.041 19 0 "[ . 1 . 2]" 1
305 1 105 ARG H 1 106 HIS H . . 2.900 2.714 2.292 2.895 . 0 0 "[ . 1 . 2]" 1
306 1 106 HIS H 1 107 LEU H . . 2.900 2.683 2.504 2.852 . 0 0 "[ . 1 . 2]" 1
307 1 107 LEU H 1 108 VAL H . . 2.900 2.507 2.247 2.758 . 0 0 "[ . 1 . 2]" 1
308 1 108 VAL H 1 109 ALA H . . 2.900 2.652 2.455 2.805 . 0 0 "[ . 1 . 2]" 1
309 1 109 ALA H 1 110 GLU H . . 2.900 2.617 2.417 2.775 . 0 0 "[ . 1 . 2]" 1
310 1 110 GLU H 1 111 THR H . . 2.900 2.447 2.091 2.726 . 0 0 "[ . 1 . 2]" 1
311 1 111 THR H 1 112 GLY H . . 2.900 2.595 2.043 2.883 . 0 0 "[ . 1 . 2]" 1
312 1 112 GLY H 1 113 THR H . . 2.900 2.534 2.014 2.882 . 0 0 "[ . 1 . 2]" 1
313 1 113 THR H 1 114 ALA H . . 2.900 2.396 1.956 2.778 . 0 0 "[ . 1 . 2]" 1
314 1 114 ALA H 1 115 GLU H . . 2.900 2.469 1.938 2.855 . 0 0 "[ . 1 . 2]" 1
315 1 115 GLU H 1 116 LYS H . . 2.900 2.542 1.922 2.900 . 0 0 "[ . 1 . 2]" 1
316 1 116 LYS H 1 117 MET H . . 2.900 2.521 1.900 2.900 . 0 0 "[ . 1 . 2]" 1
317 1 96 THR H 1 98 GLY H . . 5.000 4.091 3.882 4.436 . 0 0 "[ . 1 . 2]" 1
318 1 97 GLU H 1 99 ALA H . . 5.000 4.316 4.084 4.492 . 0 0 "[ . 1 . 2]" 1
319 1 98 GLY H 1 100 LYS H . . 5.000 4.106 3.820 4.440 . 0 0 "[ . 1 . 2]" 1
320 1 99 ALA H 1 101 GLN H . . 5.000 4.123 3.960 4.328 . 0 0 "[ . 1 . 2]" 1
321 1 100 LYS H 1 102 ILE H . . 5.000 4.302 4.049 4.509 . 0 0 "[ . 1 . 2]" 1
322 1 101 GLN H 1 103 VAL H . . 5.000 4.175 3.912 4.390 . 0 0 "[ . 1 . 2]" 1
323 1 102 ILE H 1 104 ARG H . . 5.000 4.337 4.123 4.519 . 0 0 "[ . 1 . 2]" 1
324 1 103 VAL H 1 105 ARG H . . 5.000 4.304 3.737 4.549 . 0 0 "[ . 1 . 2]" 1
325 1 104 ARG H 1 106 HIS H . . 5.000 4.162 3.811 4.459 . 0 0 "[ . 1 . 2]" 1
326 1 105 ARG H 1 107 LEU H . . 5.000 4.170 3.619 4.514 . 0 0 "[ . 1 . 2]" 1
327 1 106 HIS H 1 108 VAL H . . 5.000 4.305 3.881 4.742 . 0 0 "[ . 1 . 2]" 1
328 1 107 LEU H 1 109 ALA H . . 5.000 3.896 3.649 4.183 . 0 0 "[ . 1 . 2]" 1
329 1 108 VAL H 1 110 GLU H . . 5.000 4.172 3.875 4.586 . 0 0 "[ . 1 . 2]" 1
330 1 109 ALA H 1 111 THR H . . 5.000 4.100 3.868 5.042 0.042 20 0 "[ . 1 . 2]" 1
331 1 110 GLU H 1 112 GLY H . . 5.000 4.093 3.558 4.676 . 0 0 "[ . 1 . 2]" 1
332 1 111 THR H 1 113 THR H . . 5.000 4.401 3.463 4.962 . 0 0 "[ . 1 . 2]" 1
333 1 112 GLY H 1 114 ALA H . . 5.000 4.475 3.842 4.950 . 0 0 "[ . 1 . 2]" 1
334 1 113 THR H 1 115 GLU H . . 5.000 4.472 3.718 4.948 . 0 0 "[ . 1 . 2]" 1
335 1 114 ALA H 1 116 LYS H . . 5.000 4.319 3.167 4.996 . 0 0 "[ . 1 . 2]" 1
336 1 115 GLU H 1 117 MET H . . 5.000 4.221 2.687 4.995 . 0 0 "[ . 1 . 2]" 1
337 1 95 ASP H 1 98 GLY H . . 5.000 3.734 3.408 3.901 . 0 0 "[ . 1 . 2]" 1
338 1 97 GLU H 1 100 LYS H . . 5.000 4.891 4.698 5.024 0.024 20 0 "[ . 1 . 2]" 1
339 1 98 GLY H 1 101 GLN H . . 5.000 4.930 4.732 5.040 0.040 16 0 "[ . 1 . 2]" 1
340 1 99 ALA H 1 102 ILE H . . 5.000 4.935 4.853 5.009 0.009 17 0 "[ . 1 . 2]" 1
341 1 100 LYS H 1 103 VAL H . . 5.000 4.946 4.749 5.018 0.018 12 0 "[ . 1 . 2]" 1
342 1 101 GLN H 1 104 ARG H . . 5.000 4.782 4.639 4.983 . 0 0 "[ . 1 . 2]" 1
343 1 102 ILE H 1 105 ARG H . . 5.000 4.866 4.573 5.017 0.017 14 0 "[ . 1 . 2]" 1
344 1 103 VAL H 1 106 HIS H . . 5.000 4.788 4.649 4.956 . 0 0 "[ . 1 . 2]" 1
345 1 104 ARG H 1 107 LEU H . . 5.000 4.870 4.671 5.031 0.031 15 0 "[ . 1 . 2]" 1
346 1 105 ARG H 1 108 VAL H . . 5.000 4.915 4.657 5.008 0.008 13 0 "[ . 1 . 2]" 1
347 1 106 HIS H 1 109 ALA H . . 5.000 4.852 4.624 4.986 . 0 0 "[ . 1 . 2]" 1
348 1 107 LEU H 1 110 GLU H . . 5.000 4.930 4.741 5.013 0.013 20 0 "[ . 1 . 2]" 1
349 1 95 ASP H 1 99 ALA H . . 5.000 4.359 3.561 4.773 . 0 0 "[ . 1 . 2]" 1
350 1 96 THR HA 1 99 ALA H . . 5.000 3.371 3.107 3.660 . 0 0 "[ . 1 . 2]" 1
351 1 97 GLU HA 1 100 LYS H . . 5.000 3.615 3.403 3.882 . 0 0 "[ . 1 . 2]" 1
352 1 98 GLY QA 1 101 GLN H . . 5.000 3.488 3.230 3.650 . 0 0 "[ . 1 . 2]" 1
353 1 99 ALA HA 1 102 ILE H . . 5.000 3.461 3.281 3.716 . 0 0 "[ . 1 . 2]" 1
354 1 100 LYS HA 1 103 VAL H . . 5.000 3.754 3.418 4.005 . 0 0 "[ . 1 . 2]" 1
355 1 101 GLN HA 1 104 ARG H . . 5.000 3.643 3.336 3.888 . 0 0 "[ . 1 . 2]" 1
356 1 102 ILE HA 1 105 ARG H . . 5.000 3.826 3.500 3.955 . 0 0 "[ . 1 . 2]" 1
357 1 103 VAL HA 1 106 HIS H . . 5.000 3.572 3.438 3.810 . 0 0 "[ . 1 . 2]" 1
358 1 104 ARG HA 1 107 LEU H . . 5.000 3.451 3.176 3.965 . 0 0 "[ . 1 . 2]" 1
359 1 105 ARG HA 1 108 VAL H . . 5.000 3.644 3.365 3.935 . 0 0 "[ . 1 . 2]" 1
360 1 97 GLU HA 1 101 GLN H . . 5.000 4.517 4.108 4.889 . 0 0 "[ . 1 . 2]" 1
361 1 100 LYS HA 1 104 ARG H . . 5.000 4.040 3.644 4.311 . 0 0 "[ . 1 . 2]" 1
362 1 96 THR HA 1 99 ALA MB . . 3.300 2.720 2.501 3.071 . 0 0 "[ . 1 . 2]" 1
363 1 97 GLU HA 1 100 LYS QB . . 3.300 2.804 2.281 3.109 . 0 0 "[ . 1 . 2]" 1
364 1 98 GLY QA 1 101 GLN QB . . 3.300 2.899 2.560 3.245 . 0 0 "[ . 1 . 2]" 1
365 1 99 ALA HA 1 102 ILE HB . . 3.300 2.955 2.736 3.302 0.002 12 0 "[ . 1 . 2]" 1
366 1 100 LYS HA 1 103 VAL HB . . 3.300 3.076 2.624 3.301 0.001 9 0 "[ . 1 . 2]" 1
367 1 101 GLN HA 1 104 ARG QB . . 3.300 2.808 2.659 2.961 . 0 0 "[ . 1 . 2]" 1
368 1 102 ILE HA 1 105 ARG QB . . 3.300 2.900 2.231 3.155 . 0 0 "[ . 1 . 2]" 1
369 1 103 VAL HA 1 106 HIS QB . . 3.300 2.652 2.437 3.305 0.005 12 0 "[ . 1 . 2]" 1
370 1 104 ARG HA 1 107 LEU QB . . 3.300 3.020 2.630 3.292 . 0 0 "[ . 1 . 2]" 1
371 1 105 ARG HA 1 108 VAL HB . . 3.300 3.017 2.634 3.302 0.002 15 0 "[ . 1 . 2]" 1
372 1 106 HIS HA 1 109 ALA MB . . 3.300 2.782 2.260 3.279 . 0 0 "[ . 1 . 2]" 1
373 1 107 LEU HA 1 110 GLU QB . . 3.300 3.078 2.687 3.357 0.057 20 0 "[ . 1 . 2]" 1
374 1 108 VAL HA 1 111 THR HB . . 3.300 3.018 2.334 3.385 0.085 20 0 "[ . 1 . 2]" 1
375 1 110 GLU HA 1 113 THR HB . . 5.000 4.416 3.122 5.020 0.020 20 0 "[ . 1 . 2]" 1
376 1 111 THR HA 1 114 ALA MB . . 5.000 4.005 2.658 4.955 . 0 0 "[ . 1 . 2]" 1
377 1 6 VAL H 1 6 VAL HB . . 2.700 2.615 2.502 2.718 0.018 19 0 "[ . 1 . 2]" 1
378 1 6 VAL H 1 7 LEU H . . 2.700 2.361 2.007 2.646 . 0 0 "[ . 1 . 2]" 1
379 1 6 VAL HB 1 7 LEU H . . 2.700 2.489 1.872 2.713 0.013 12 0 "[ . 1 . 2]" 1
380 1 6 VAL HB 1 33 ILE MG . . 5.000 4.877 4.409 5.043 0.043 20 0 "[ . 1 . 2]" 1
381 1 6 VAL MG2 1 33 ILE MG . . 5.000 4.189 3.103 5.002 0.002 7 0 "[ . 1 . 2]" 1
382 1 6 VAL MG1 1 33 ILE MG . . 5.000 4.449 2.484 5.052 0.052 19 0 "[ . 1 . 2]" 1
383 1 7 LEU HA 1 7 LEU MD2 . . 2.700 2.348 1.951 3.337 0.637 19 2 "[ . 1 . +-]" 1
384 1 7 LEU H 1 7 LEU HG . . 3.300 3.227 2.877 3.618 0.318 19 0 "[ . 1 . 2]" 1
385 1 7 LEU HA 1 8 ARG H . . 2.700 2.464 2.190 2.631 . 0 0 "[ . 1 . 2]" 1
386 1 7 LEU MD2 1 8 ARG H . . 3.300 2.572 1.985 3.313 0.013 12 0 "[ . 1 . 2]" 1
387 1 8 ARG QG 1 11 LYS QG . . 5.000 4.253 2.824 5.050 0.050 20 0 "[ . 1 . 2]" 1
388 1 8 ARG QD 1 11 LYS QD . . 5.000 4.013 2.304 5.018 0.018 19 0 "[ . 1 . 2]" 1
389 1 11 LYS H 1 11 LYS HB2 . . 3.300 2.430 2.080 3.552 0.252 19 0 "[ . 1 . 2]" 1
390 1 11 LYS H 1 11 LYS HG3 . . 5.000 3.360 2.221 4.589 . 0 0 "[ . 1 . 2]" 1
391 1 11 LYS HA 1 87 ILE MG . . 5.000 4.092 2.840 4.820 . 0 0 "[ . 1 . 2]" 1
392 1 12 ALA MB 1 13 ASP H . . 3.300 2.682 2.501 2.830 . 0 0 "[ . 1 . 2]" 1
393 1 12 ALA HA 1 15 LEU QB . . 5.000 2.483 2.217 2.785 . 0 0 "[ . 1 . 2]" 1
394 1 15 LEU HB3 1 15 LEU MD1 . . 3.300 2.088 1.991 2.271 . 0 0 "[ . 1 . 2]" 1
395 1 15 LEU HB3 1 16 GLU H . . 3.300 2.555 2.387 3.043 . 0 0 "[ . 1 . 2]" 1
396 1 15 LEU MD2 1 18 ILE MD . . 3.300 2.434 2.028 2.905 . 0 0 "[ . 1 . 2]" 1
397 1 15 LEU HA 1 18 ILE MD . . 3.300 2.185 1.906 3.012 . 0 0 "[ . 1 . 2]" 1
398 1 15 LEU HA 1 28 TYR QD . . 5.500 4.935 3.621 5.385 . 0 0 "[ . 1 . 2]" 1
399 1 15 LEU MD1 1 28 TYR HB3 . . 2.700 2.389 1.932 2.747 0.047 19 0 "[ . 1 . 2]" 1
400 1 15 LEU MD2 1 28 TYR HB2 . . 2.700 2.539 1.982 2.739 0.039 8 0 "[ . 1 . 2]" 1
401 1 15 LEU MD2 1 28 TYR HB3 . . 2.700 2.663 2.086 2.760 0.060 15 0 "[ . 1 . 2]" 1
402 1 15 LEU H 1 87 ILE MD . . 5.000 4.473 3.212 5.022 0.022 1 0 "[ . 1 . 2]" 1
403 1 15 LEU H 1 87 ILE QG . . 5.000 4.695 3.858 5.022 0.022 19 0 "[ . 1 . 2]" 1
404 1 15 LEU H 1 87 ILE MG . . 5.000 4.722 3.846 5.024 0.024 11 0 "[ . 1 . 2]" 1
405 1 15 LEU HA 1 87 ILE MD . . 5.000 3.274 2.198 3.777 . 0 0 "[ . 1 . 2]" 1
406 1 16 GLU QB 1 17 ARG H . . 3.300 3.248 3.107 3.362 0.062 15 0 "[ . 1 . 2]" 1
407 1 16 GLU HA 1 28 TYR HB2 . . 5.000 3.860 2.914 4.503 . 0 0 "[ . 1 . 2]" 1
408 1 17 ARG HA 1 27 LYS QD . . 3.300 3.050 2.546 3.348 0.048 19 0 "[ . 1 . 2]" 1
409 1 17 ARG HA 1 27 LYS QE . . 5.000 4.446 3.091 5.018 0.018 19 0 "[ . 1 . 2]" 1
410 1 18 ILE H 1 27 LYS QB . . 5.000 4.441 3.509 4.903 . 0 0 "[ . 1 . 2]" 1
411 1 18 ILE H 1 28 TYR QD . . 5.000 4.475 3.810 4.919 . 0 0 "[ . 1 . 2]" 1
412 1 18 ILE HB 1 28 TYR QD . . 2.700 2.323 1.980 2.710 0.010 17 0 "[ . 1 . 2]" 1
413 1 18 ILE MG 1 28 TYR QD . . 2.700 2.190 1.938 2.731 0.031 17 0 "[ . 1 . 2]" 1
414 1 18 ILE MG 1 28 TYR QE . . 2.700 2.224 1.951 2.607 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE MG 1 28 TYR H . . 5.000 4.124 3.758 4.468 . 0 0 "[ . 1 . 2]" 1
416 1 18 ILE MG 1 83 VAL MG2 . . 5.000 2.531 2.032 3.179 . 0 0 "[ . 1 . 2]" 1
417 1 18 ILE MG 1 83 VAL MG1 . . 5.000 2.395 1.888 2.973 . 0 0 "[ . 1 . 2]" 1
418 1 18 ILE MD 1 83 VAL MG1 . . 2.700 2.090 1.754 2.646 . 0 0 "[ . 1 . 2]" 1
419 1 18 ILE HG12 1 93 VAL MG2 . . 3.300 2.097 1.868 2.626 . 0 0 "[ . 1 . 2]" 1
420 1 18 ILE MD 1 93 VAL MG2 . . 2.700 2.389 1.967 2.703 0.003 10 0 "[ . 1 . 2]" 1
421 1 18 ILE MG 1 95 ASP HA . . 2.700 2.459 2.083 2.728 0.028 18 0 "[ . 1 . 2]" 1
422 1 18 ILE MG 1 95 ASP H . . 5.000 3.752 3.346 4.004 . 0 0 "[ . 1 . 2]" 1
423 1 18 ILE MG 1 96 THR H . . 5.000 3.554 2.740 3.869 . 0 0 "[ . 1 . 2]" 1
424 1 19 ARG QB 1 21 ARG H . . 3.300 2.555 2.248 3.461 0.161 18 0 "[ . 1 . 2]" 1
425 1 20 LEU HA 1 20 LEU MD2 . . 2.700 2.190 1.963 2.626 . 0 0 "[ . 1 . 2]" 1
426 1 20 LEU H 1 20 LEU HG . . 2.700 2.297 1.852 2.713 0.013 10 0 "[ . 1 . 2]" 1
427 1 20 LEU HG 1 27 LYS HA . . 5.000 3.666 2.388 4.264 . 0 0 "[ . 1 . 2]" 1
428 1 20 LEU MD1 1 27 LYS H . . 5.000 4.452 3.565 5.013 0.013 15 0 "[ . 1 . 2]" 1
429 1 20 LEU MD2 1 28 TYR QE . . 3.300 2.567 2.412 2.831 . 0 0 "[ . 1 . 2]" 1
430 1 20 LEU MD2 1 28 TYR QD . . 3.300 2.877 2.585 3.068 . 0 0 "[ . 1 . 2]" 1
431 1 20 LEU MD2 1 28 TYR HA . . 3.300 3.057 2.299 3.331 0.031 18 0 "[ . 1 . 2]" 1
432 1 20 LEU MD2 1 28 TYR H . . 5.000 4.144 3.186 5.040 0.040 18 0 "[ . 1 . 2]" 1
433 1 20 LEU MD2 1 32 HIS HE1 . . 5.000 3.816 2.858 4.238 . 0 0 "[ . 1 . 2]" 1
434 1 20 LEU MD1 1 32 HIS HE1 . . 3.300 2.946 2.265 3.312 0.012 11 0 "[ . 1 . 2]" 1
435 1 21 ARG HA 1 22 PRO QD . . 2.700 2.151 2.052 2.268 . 0 0 "[ . 1 . 2]" 1
436 1 21 ARG QB 1 22 PRO QD . . 2.700 2.138 1.819 2.678 . 0 0 "[ . 1 . 2]" 1
437 1 21 ARG H 1 95 ASP HB2 . . 5.000 4.180 3.809 4.574 . 0 0 "[ . 1 . 2]" 1
438 1 21 ARG H 1 95 ASP HB3 . . 5.000 4.877 4.558 5.009 0.009 16 0 "[ . 1 . 2]" 1
439 1 21 ARG H 1 96 THR H . . 5.000 4.272 3.874 4.455 . 0 0 "[ . 1 . 2]" 1
440 1 21 ARG HA 1 96 THR H . . 5.000 3.887 3.091 4.345 . 0 0 "[ . 1 . 2]" 1
441 1 21 ARG HA 1 96 THR HB . . 5.000 3.846 3.068 4.474 . 0 0 "[ . 1 . 2]" 1
442 1 22 PRO HB2 1 23 GLY H . . 3.300 3.251 2.868 3.565 0.265 12 0 "[ . 1 . 2]" 1
443 1 22 PRO HD2 1 23 GLY H . . 5.000 2.814 2.647 5.588 0.588 12 1 "[ . 1 + . 2]" 1
444 1 22 PRO HA 1 95 ASP HB2 . . 3.300 2.947 2.322 3.261 . 0 0 "[ . 1 . 2]" 1
445 1 22 PRO HA 1 95 ASP HB3 . . 3.300 2.574 2.023 2.933 . 0 0 "[ . 1 . 2]" 1
446 1 22 PRO HA 1 96 THR H . . 5.000 4.834 3.998 5.050 0.050 16 0 "[ . 1 . 2]" 1
447 1 22 PRO QD 1 97 GLU QG . . 3.300 2.861 1.927 3.325 0.025 17 0 "[ . 1 . 2]" 1
448 1 21 ARG QB 1 24 GLY H . . 3.300 2.560 1.923 3.404 0.104 12 0 "[ . 1 . 2]" 1
449 1 26 LYS H 1 26 LYS QB . . 2.700 2.356 2.118 2.889 0.189 10 0 "[ . 1 . 2]" 1
450 1 28 TYR H 1 28 TYR QD . . 3.300 2.829 2.344 3.076 . 0 0 "[ . 1 . 2]" 1
451 1 28 TYR QD 1 32 HIS HD2 . . 5.000 4.806 4.564 4.962 . 0 0 "[ . 1 . 2]" 1
452 1 28 TYR QE 1 32 HIS HD2 . . 5.000 4.933 4.517 5.064 0.064 11 0 "[ . 1 . 2]" 1
453 1 28 TYR HA 1 32 HIS HE1 . . 3.300 2.900 2.238 3.302 0.002 18 0 "[ . 1 . 2]" 1
454 1 28 TYR QD 1 32 HIS QB . . 2.700 2.357 1.939 2.595 . 0 0 "[ . 1 . 2]" 1
455 1 28 TYR QE 1 32 HIS QB . . 3.300 3.144 2.732 3.309 0.009 7 0 "[ . 1 . 2]" 1
456 1 28 TYR HA 1 32 HIS QB . . 5.000 3.766 3.324 4.328 . 0 0 "[ . 1 . 2]" 1
457 1 28 TYR QE 1 80 THR HA . . 3.300 3.003 2.592 3.323 0.023 11 0 "[ . 1 . 2]" 1
458 1 28 TYR QE 1 80 THR MG . . 3.300 2.566 2.037 3.296 . 0 0 "[ . 1 . 2]" 1
459 1 28 TYR QD 1 80 THR MG . . 5.000 3.472 2.980 4.117 . 0 0 "[ . 1 . 2]" 1
460 1 28 TYR QE 1 83 VAL MG1 . . 5.000 3.031 2.125 3.440 . 0 0 "[ . 1 . 2]" 1
461 1 28 TYR QE 1 83 VAL MG2 . . 5.000 2.153 1.940 2.359 . 0 0 "[ . 1 . 2]" 1
462 1 28 TYR QE 1 83 VAL HB . . 5.000 3.909 3.453 4.262 . 0 0 "[ . 1 . 2]" 1
463 1 28 TYR QE 1 96 THR H . . 5.000 4.279 3.908 4.933 . 0 0 "[ . 1 . 2]" 1
464 1 28 TYR QE 1 96 THR HA . . 5.000 3.487 3.060 4.139 . 0 0 "[ . 1 . 2]" 1
465 1 28 TYR QE 1 96 THR MG . . 5.000 3.571 3.275 3.990 . 0 0 "[ . 1 . 2]" 1
466 1 29 ARG H 1 32 HIS HE1 . . 3.300 3.115 2.496 3.336 0.036 13 0 "[ . 1 . 2]" 1
467 1 29 ARG QB 1 32 HIS HE1 . . 3.300 3.092 2.395 3.343 0.043 17 0 "[ . 1 . 2]" 1
468 1 30 LEU HA 1 30 LEU QD . . 2.700 2.441 1.954 2.734 0.034 19 0 "[ . 1 . 2]" 1
469 1 30 LEU H 1 30 LEU MD1 . . 3.300 2.737 1.868 3.334 0.034 11 0 "[ . 1 . 2]" 1
470 1 30 LEU HA 1 33 ILE MD . . 3.300 2.462 1.921 3.170 . 0 0 "[ . 1 . 2]" 1
471 1 30 LEU QD 1 33 ILE MD . . 5.000 2.682 1.996 3.383 . 0 0 "[ . 1 . 2]" 1
472 1 32 HIS H 1 32 HIS HD2 . . 5.000 4.268 4.047 4.527 . 0 0 "[ . 1 . 2]" 1
473 1 32 HIS HA 1 32 HIS HD2 . . 2.900 2.924 2.842 3.103 0.203 11 0 "[ . 1 . 2]" 1
474 1 32 HIS HA 1 35 TRP HE3 . . 5.000 4.245 3.824 4.647 . 0 0 "[ . 1 . 2]" 1
475 1 33 ILE H 1 33 ILE HB . . 2.700 2.632 2.402 2.706 0.006 4 0 "[ . 1 . 2]" 1
476 1 33 ILE HB 1 34 VAL H . . 2.700 2.655 2.376 2.790 0.090 12 0 "[ . 1 . 2]" 1
477 1 33 ILE MG 1 34 VAL MG2 . . 5.000 3.686 3.199 3.938 . 0 0 "[ . 1 . 2]" 1
478 1 33 ILE HA 1 80 THR MG . . 5.000 3.400 2.855 3.845 . 0 0 "[ . 1 . 2]" 1
479 1 33 ILE HA 1 84 ILE MD . . 5.000 3.880 3.127 4.397 . 0 0 "[ . 1 . 2]" 1
480 1 33 ILE HG12 1 84 ILE MD . . 5.000 2.981 2.375 3.331 . 0 0 "[ . 1 . 2]" 1
481 1 33 ILE MD 1 84 ILE MD . . 3.300 3.316 3.194 3.362 0.062 12 0 "[ . 1 . 2]" 1
482 1 33 ILE MG 1 84 ILE MD . . 3.300 2.967 2.512 3.314 0.014 19 0 "[ . 1 . 2]" 1
483 1 34 VAL HA 1 34 VAL MG1 . . 2.700 2.349 2.305 2.402 . 0 0 "[ . 1 . 2]" 1
484 1 34 VAL HA 1 34 VAL MG2 . . 2.700 2.335 2.262 2.434 . 0 0 "[ . 1 . 2]" 1
485 1 34 VAL H 1 34 VAL MG2 . . 2.700 2.258 2.054 2.442 . 0 0 "[ . 1 . 2]" 1
486 1 34 VAL H 1 34 VAL HB . . 2.700 2.513 2.460 2.563 . 0 0 "[ . 1 . 2]" 1
487 1 34 VAL HB 1 35 TRP H . . 2.700 2.624 2.455 2.714 0.014 19 0 "[ . 1 . 2]" 1
488 1 34 VAL MG1 1 37 ALA MB . . 5.000 3.902 3.400 4.149 . 0 0 "[ . 1 . 2]" 1
489 1 34 VAL MG2 1 37 ALA MB . . 5.000 4.472 4.205 4.695 . 0 0 "[ . 1 . 2]" 1
490 1 35 TRP HE3 1 36 ALA H . . 3.300 3.062 2.713 3.312 0.012 9 0 "[ . 1 . 2]" 1
491 1 35 TRP HZ2 1 39 LYS QE . . 5.000 3.707 2.344 5.000 0.000 19 0 "[ . 1 . 2]" 1
492 1 35 TRP HZ2 1 73 ASN HA . . 5.000 2.882 1.988 4.027 . 0 0 "[ . 1 . 2]" 1
493 1 35 TRP HZ2 1 73 ASN HB3 . . 5.000 3.740 2.971 5.010 0.010 9 0 "[ . 1 . 2]" 1
494 1 35 TRP HH2 1 73 ASN HA . . 5.000 3.730 2.923 4.283 . 0 0 "[ . 1 . 2]" 1
495 1 35 TRP HH2 1 77 LEU H . . 3.300 2.389 2.136 2.721 . 0 0 "[ . 1 . 2]" 1
496 1 35 TRP HZ3 1 77 LEU H . . 3.300 3.126 2.712 3.331 0.031 12 0 "[ . 1 . 2]" 1
497 1 35 TRP HZ3 1 77 LEU HA . . 2.700 2.033 1.985 2.121 . 0 0 "[ . 1 . 2]" 1
498 1 35 TRP HH2 1 77 LEU HA . . 5.000 3.671 3.443 4.171 . 0 0 "[ . 1 . 2]" 1
499 1 35 TRP HZ3 1 77 LEU MD1 . . 5.000 2.903 2.405 3.279 . 0 0 "[ . 1 . 2]" 1
500 1 35 TRP HE3 1 77 LEU MD1 . . 5.000 3.724 3.190 4.083 . 0 0 "[ . 1 . 2]" 1
501 1 35 TRP HZ3 1 80 THR H . . 5.000 4.953 4.778 5.007 0.007 18 0 "[ . 1 . 2]" 1
502 1 35 TRP HE3 1 80 THR MG . . 5.000 4.204 3.235 4.670 . 0 0 "[ . 1 . 2]" 1
503 1 36 ALA MB 1 37 ALA H . . 3.300 2.488 2.382 2.596 . 0 0 "[ . 1 . 2]" 1
504 1 36 ALA HA 1 77 LEU MD1 . . 2.700 2.263 1.934 2.549 . 0 0 "[ . 1 . 2]" 1
505 1 36 ALA MB 1 77 LEU MD1 . . 3.300 2.254 1.902 2.714 . 0 0 "[ . 1 . 2]" 1
506 1 36 ALA MB 1 80 THR MG . . 3.300 2.410 1.921 2.894 . 0 0 "[ . 1 . 2]" 1
507 1 36 ALA MB 1 80 THR HB . . 5.000 2.993 2.557 3.359 . 0 0 "[ . 1 . 2]" 1
508 1 37 ALA MB 1 47 GLU QB . . 2.700 2.332 1.845 2.765 0.065 14 0 "[ . 1 . 2]" 1
509 1 37 ALA HA 1 50 LEU MD1 . . 2.700 2.524 2.151 2.731 0.031 19 0 "[ . 1 . 2]" 1
510 1 37 ALA H 1 50 LEU MD1 . . 3.300 3.262 3.071 3.334 0.034 12 0 "[ . 1 . 2]" 1
511 1 37 ALA MB 1 50 LEU MD1 . . 3.300 2.417 1.921 2.960 . 0 0 "[ . 1 . 2]" 1
512 1 39 LYS QB 1 77 LEU MD1 . . 3.300 2.826 2.341 3.302 0.002 5 0 "[ . 1 . 2]" 1
513 1 40 LEU H 1 40 LEU HG . . 5.000 2.320 1.919 2.795 . 0 0 "[ . 1 . 2]" 1
514 1 40 LEU HA 1 43 PHE HD2 . . 3.300 3.051 2.463 3.325 0.025 9 0 "[ . 1 . 2]" 1
515 1 40 LEU HA 1 45 LEU HB2 . . 3.300 2.806 2.466 3.314 0.014 20 0 "[ . 1 . 2]" 1
516 1 40 LEU MD2 1 45 LEU HB2 . . 3.300 2.221 1.915 2.726 . 0 0 "[ . 1 . 2]" 1
517 1 40 LEU HA 1 45 LEU MD1 . . 5.000 3.531 2.763 4.420 . 0 0 "[ . 1 . 2]" 1
518 1 40 LEU HA 1 45 LEU MD2 . . 5.000 5.061 5.008 5.257 0.257 19 0 "[ . 1 . 2]" 1
519 1 40 LEU MD1 1 47 GLU HA . . 2.700 2.229 1.872 2.700 0.000 7 0 "[ . 1 . 2]" 1
520 1 40 LEU MD1 1 47 GLU HB3 . . 5.000 3.567 2.852 4.295 . 0 0 "[ . 1 . 2]" 1
521 1 40 LEU MD1 1 50 LEU HG . . 2.700 2.373 1.937 2.647 . 0 0 "[ . 1 . 2]" 1
522 1 40 LEU MD1 1 50 LEU MD2 . . 3.300 3.027 2.608 3.357 0.057 14 0 "[ . 1 . 2]" 1
523 1 40 LEU MD1 1 59 ILE MD . . 3.300 2.538 2.092 2.948 . 0 0 "[ . 1 . 2]" 1
524 1 40 LEU MD2 1 63 LEU MD1 . . 5.000 3.576 2.737 4.676 . 0 0 "[ . 1 . 2]" 1
525 1 40 LEU H 1 77 LEU MD1 . . 5.000 4.019 3.395 4.450 . 0 0 "[ . 1 . 2]" 1
526 1 40 LEU MD2 1 77 LEU MD1 . . 5.000 3.016 2.230 4.378 . 0 0 "[ . 1 . 2]" 1
527 1 40 LEU MD2 1 77 LEU MD2 . . 5.000 2.474 1.969 3.961 . 0 0 "[ . 1 . 2]" 1
528 1 37 ALA HA 1 40 LEU HG . . 5.000 3.142 2.577 3.657 . 0 0 "[ . 1 . 2]" 1
529 1 41 ASP H 1 47 GLU HB3 . . 5.000 4.857 4.296 5.140 0.140 19 0 "[ . 1 . 2]" 1
530 1 43 PHE H 1 43 PHE HB2 . . 2.700 2.316 2.137 2.532 . 0 0 "[ . 1 . 2]" 1
531 1 43 PHE HB3 1 45 LEU MD1 . . 5.000 3.538 2.564 5.018 0.018 14 0 "[ . 1 . 2]" 1
532 1 43 PHE QE 1 74 LEU HA . . 5.000 3.937 2.740 5.028 0.028 6 0 "[ . 1 . 2]" 1
533 1 43 PHE QE 1 74 LEU MD1 . . 5.000 3.706 2.346 5.006 0.006 9 0 "[ . 1 . 2]" 1
534 1 45 LEU H 1 45 LEU HB2 . . 2.700 2.263 2.109 2.484 . 0 0 "[ . 1 . 2]" 1
535 1 45 LEU HA 1 45 LEU MD2 . . 3.300 2.734 1.909 3.164 . 0 0 "[ . 1 . 2]" 1
536 1 45 LEU H 1 45 LEU MD1 . . 5.000 3.172 2.691 4.003 . 0 0 "[ . 1 . 2]" 1
537 1 45 LEU H 1 45 LEU HG . . 3.300 3.181 2.542 3.340 0.040 12 0 "[ . 1 . 2]" 1
538 1 45 LEU MD2 1 46 ALA H . . 3.300 3.091 2.585 3.441 0.141 14 0 "[ . 1 . 2]" 1
539 1 45 LEU MD2 1 49 LEU MD1 . . 3.300 2.088 1.821 2.954 . 0 0 "[ . 1 . 2]" 1
540 1 45 LEU MD1 1 59 ILE HA . . 3.300 3.228 2.615 3.355 0.055 14 0 "[ . 1 . 2]" 1
541 1 45 LEU MD1 1 59 ILE MG . . 5.000 2.622 2.059 3.773 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU MD2 1 62 VAL HB . . 5.000 4.523 2.940 5.047 0.047 19 0 "[ . 1 . 2]" 1
543 1 46 ALA HA 1 48 SER H . . 5.000 4.004 3.817 4.348 . 0 0 "[ . 1 . 2]" 1
544 1 46 ALA MB 1 48 SER H . . 2.700 2.440 2.003 2.811 0.111 14 0 "[ . 1 . 2]" 1
545 1 46 ALA MB 1 49 LEU MD1 . . 5.000 2.990 1.992 5.159 0.159 14 0 "[ . 1 . 2]" 1
546 1 46 ALA H 1 49 LEU MD1 . . 5.000 2.504 1.846 4.227 . 0 0 "[ . 1 . 2]" 1
547 1 46 ALA MB 1 49 LEU H . . 5.000 3.335 2.838 5.107 0.107 14 0 "[ . 1 . 2]" 1
548 1 48 SER H 1 49 LEU HG . . 5.000 3.971 3.727 4.353 . 0 0 "[ . 1 . 2]" 1
549 1 48 SER HA 1 51 GLU QG . . 3.300 2.883 2.110 3.375 0.075 20 0 "[ . 1 . 2]" 1
550 1 48 SER QB 1 51 GLU QG . . 5.000 3.880 3.266 4.881 . 0 0 "[ . 1 . 2]" 1
551 1 49 LEU H 1 49 LEU HG . . 2.700 2.342 1.998 2.655 . 0 0 "[ . 1 . 2]" 1
552 1 49 LEU HA 1 49 LEU HG . . 3.300 3.092 2.835 3.260 . 0 0 "[ . 1 . 2]" 1
553 1 49 LEU HA 1 49 LEU MD2 . . 2.700 2.197 1.968 2.868 0.168 14 0 "[ . 1 . 2]" 1
554 1 49 LEU H 1 49 LEU HB2 . . 2.700 2.547 2.370 2.717 0.017 14 0 "[ . 1 . 2]" 1
555 1 49 LEU HA 1 55 GLY HA3 . . 3.300 2.880 2.183 3.331 0.031 10 0 "[ . 1 . 2]" 1
556 1 49 LEU MD2 1 55 GLY HA3 . . 3.300 2.578 2.045 2.926 . 0 0 "[ . 1 . 2]" 1
557 1 49 LEU MD2 1 55 GLY HA2 . . 3.300 2.776 2.157 3.251 . 0 0 "[ . 1 . 2]" 1
558 1 50 LEU HA 1 50 LEU MD2 . . 2.700 2.146 1.936 2.609 . 0 0 "[ . 1 . 2]" 1
559 1 50 LEU H 1 50 LEU HG . . 3.300 3.271 2.903 3.466 0.166 14 0 "[ . 1 . 2]" 1
560 1 50 LEU HA 1 50 LEU HG . . 3.300 2.693 2.465 2.939 . 0 0 "[ . 1 . 2]" 1
561 1 50 LEU MD2 1 56 CYS HA . . 5.000 4.365 4.129 4.728 . 0 0 "[ . 1 . 2]" 1
562 1 50 LEU HA 1 56 CYS HA . . 5.000 4.316 3.691 4.674 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU HA 1 59 ILE MD . . 5.000 3.609 2.178 4.033 . 0 0 "[ . 1 . 2]" 1
564 1 50 LEU HG 1 59 ILE MD . . 5.000 3.259 2.391 3.669 . 0 0 "[ . 1 . 2]" 1
565 1 50 LEU MD2 1 59 ILE MD . . 3.300 3.232 2.625 3.341 0.041 15 0 "[ . 1 . 2]" 1
566 1 50 LEU HA 1 84 ILE MG . . 5.000 2.983 2.498 3.465 . 0 0 "[ . 1 . 2]" 1
567 1 50 LEU MD2 1 84 ILE MD . . 2.700 2.734 2.702 2.781 0.081 12 0 "[ . 1 . 2]" 1
568 1 52 SER HA 1 52 SER QB . . 2.700 2.181 2.158 2.227 . 0 0 "[ . 1 . 2]" 1
569 1 52 SER QB 1 55 GLY H . . 5.000 3.251 2.940 3.495 . 0 0 "[ . 1 . 2]" 1
570 1 52 SER HA 1 88 HIS HD2 . . 5.000 4.499 3.900 5.017 0.017 9 0 "[ . 1 . 2]" 1
571 1 53 LYS HA 1 85 TRP HD1 . . 3.300 3.145 2.806 3.337 0.037 11 0 "[ . 1 . 2]" 1
572 1 53 LYS QD 1 85 TRP HZ2 . . 5.000 4.130 2.798 5.003 0.003 20 0 "[ . 1 . 2]" 1
573 1 53 LYS QG 1 85 TRP HE1 . . 5.000 3.418 2.282 4.646 . 0 0 "[ . 1 . 2]" 1
574 1 53 LYS QD 1 85 TRP HE1 . . 5.000 4.186 2.704 5.007 0.007 13 0 "[ . 1 . 2]" 1
575 1 53 LYS HA 1 88 HIS HB2 . . 3.300 2.869 2.455 3.265 . 0 0 "[ . 1 . 2]" 1
576 1 53 LYS HA 1 88 HIS HB3 . . 5.000 3.522 3.056 4.180 . 0 0 "[ . 1 . 2]" 1
577 1 53 LYS HA 1 88 HIS HD2 . . 3.300 3.065 2.536 3.307 0.007 17 0 "[ . 1 . 2]" 1
578 1 53 LYS H 1 88 HIS HD2 . . 5.000 4.102 3.719 4.351 . 0 0 "[ . 1 . 2]" 1
579 1 53 LYS H 1 88 HIS HB3 . . 3.300 3.049 2.110 3.349 0.049 14 0 "[ . 1 . 2]" 1
580 1 49 LEU MD2 1 55 GLY H . . 5.000 4.315 3.981 4.767 . 0 0 "[ . 1 . 2]" 1
581 1 56 CYS H 1 85 TRP HD1 . . 5.000 3.863 3.524 4.519 . 0 0 "[ . 1 . 2]" 1
582 1 56 CYS HB2 1 85 TRP HD1 . . 2.700 2.649 2.187 2.709 0.009 8 0 "[ . 1 . 2]" 1
583 1 56 CYS HB3 1 85 TRP H . . 5.000 3.992 3.312 4.435 . 0 0 "[ . 1 . 2]" 1
584 1 56 CYS HB2 1 88 HIS HD2 . . 5.000 3.544 2.823 4.081 . 0 0 "[ . 1 . 2]" 1
585 1 57 GLN H 1 85 TRP HD1 . . 3.300 2.881 2.288 3.307 0.007 5 0 "[ . 1 . 2]" 1
586 1 57 GLN H 1 85 TRP HE1 . . 5.000 3.966 3.416 4.344 . 0 0 "[ . 1 . 2]" 1
587 1 57 GLN QB 1 85 TRP HE1 . . 5.000 2.686 1.931 3.682 . 0 0 "[ . 1 . 2]" 1
588 1 57 GLN QG 1 85 TRP HE1 . . 5.000 2.931 1.930 4.375 . 0 0 "[ . 1 . 2]" 1
589 1 57 GLN QB 1 85 TRP HD1 . . 5.000 3.227 2.716 3.963 . 0 0 "[ . 1 . 2]" 1
590 1 57 GLN QG 1 85 TRP HD1 . . 5.000 3.968 3.239 4.913 . 0 0 "[ . 1 . 2]" 1
591 1 59 ILE H 1 59 ILE MD . . 5.000 3.617 3.502 3.841 . 0 0 "[ . 1 . 2]" 1
592 1 59 ILE H 1 59 ILE HB . . 3.300 2.562 2.430 2.676 . 0 0 "[ . 1 . 2]" 1
593 1 59 ILE H 1 59 ILE HG13 . . 2.700 2.280 2.023 2.566 . 0 0 "[ . 1 . 2]" 1
594 1 59 ILE MG 1 60 LEU H . . 5.000 3.483 3.132 3.800 . 0 0 "[ . 1 . 2]" 1
595 1 59 ILE HB 1 60 LEU H . . 2.700 2.527 2.293 2.834 0.134 17 0 "[ . 1 . 2]" 1
596 1 59 ILE MG 1 63 LEU MD1 . . 3.300 1.940 1.792 2.284 . 0 0 "[ . 1 . 2]" 1
597 1 59 ILE MG 1 63 LEU HG . . 3.300 2.863 2.530 3.198 . 0 0 "[ . 1 . 2]" 1
598 1 60 LEU HA 1 60 LEU MD2 . . 2.700 2.150 1.957 2.639 . 0 0 "[ . 1 . 2]" 1
599 1 60 LEU H 1 60 LEU HB2 . . 2.700 2.433 2.287 2.642 . 0 0 "[ . 1 . 2]" 1
600 1 60 LEU H 1 60 LEU HG . . 2.700 2.359 1.998 2.652 . 0 0 "[ . 1 . 2]" 1
601 1 60 LEU HB2 1 61 THR H . . 3.300 2.919 2.680 3.079 . 0 0 "[ . 1 . 2]" 1
602 1 60 LEU HA 1 63 LEU MD1 . . 5.000 2.896 2.413 3.190 . 0 0 "[ . 1 . 2]" 1
603 1 60 LEU HA 1 78 PHE HE1 . . 3.300 3.008 2.499 3.309 0.009 18 0 "[ . 1 . 2]" 1
604 1 60 LEU HA 1 78 PHE HD1 . . 3.300 2.930 2.549 3.272 . 0 0 "[ . 1 . 2]" 1
605 1 60 LEU MD2 1 78 PHE HE1 . . 3.300 2.598 2.249 3.295 . 0 0 "[ . 1 . 2]" 1
606 1 60 LEU MD2 1 78 PHE HD1 . . 3.300 2.678 2.211 3.309 0.009 17 0 "[ . 1 . 2]" 1
607 1 60 LEU MD2 1 78 PHE HA . . 5.000 3.158 2.618 3.598 . 0 0 "[ . 1 . 2]" 1
608 1 60 LEU MD2 1 81 VAL MG2 . . 3.300 3.203 2.935 3.324 0.024 15 0 "[ . 1 . 2]" 1
609 1 60 LEU MD2 1 81 VAL HB . . 2.700 1.971 1.882 2.409 . 0 0 "[ . 1 . 2]" 1
610 1 60 LEU H 1 81 VAL MG2 . . 5.000 4.804 4.490 5.021 0.021 10 0 "[ . 1 . 2]" 1
611 1 60 LEU MD2 1 82 CYS HA . . 5.000 2.583 1.966 3.492 . 0 0 "[ . 1 . 2]" 1
612 1 60 LEU MD1 1 82 CYS HA . . 3.300 2.338 1.967 3.072 . 0 0 "[ . 1 . 2]" 1
613 1 60 LEU MD2 1 82 CYS H . . 3.300 2.757 2.194 3.310 0.010 20 0 "[ . 1 . 2]" 1
614 1 60 LEU MD1 1 85 TRP HB2 . . 5.000 3.063 2.445 3.833 . 0 0 "[ . 1 . 2]" 1
615 1 60 LEU MD1 1 85 TRP HB3 . . 5.000 3.218 2.520 3.952 . 0 0 "[ . 1 . 2]" 1
616 1 60 LEU MD1 1 85 TRP HD1 . . 5.000 3.876 2.972 5.001 0.001 9 0 "[ . 1 . 2]" 1
617 1 60 LEU MD1 1 103 VAL MG1 . . 3.300 1.843 1.736 2.140 . 0 0 "[ . 1 . 2]" 1
618 1 58 LYS HA 1 61 THR MG . . 3.300 2.456 2.176 2.905 . 0 0 "[ . 1 . 2]" 1
619 1 58 LYS HA 1 61 THR HB . . 3.300 3.357 3.341 3.383 0.083 10 0 "[ . 1 . 2]" 1
620 1 61 THR H 1 61 THR HB . . 2.700 2.387 2.246 2.474 . 0 0 "[ . 1 . 2]" 1
621 1 63 LEU H 1 63 LEU HG . . 2.700 2.500 1.819 2.712 0.012 6 0 "[ . 1 . 2]" 1
622 1 63 LEU HA 1 63 LEU MD2 . . 3.300 2.311 1.975 2.889 . 0 0 "[ . 1 . 2]" 1
623 1 63 LEU HA 1 66 MET HB2 . . 3.300 2.169 1.985 3.061 . 0 0 "[ . 1 . 2]" 1
624 1 63 LEU HA 1 66 MET QG . . 5.000 2.915 1.999 4.134 . 0 0 "[ . 1 . 2]" 1
625 1 63 LEU HA 1 74 LEU MD1 . . 5.000 3.507 2.693 4.718 . 0 0 "[ . 1 . 2]" 1
626 1 63 LEU MD2 1 74 LEU MD1 . . 5.000 2.547 1.908 3.881 . 0 0 "[ . 1 . 2]" 1
627 1 63 LEU MD1 1 77 LEU MD2 . . 5.000 2.277 1.910 2.786 . 0 0 "[ . 1 . 2]" 1
628 1 63 LEU MD2 1 77 LEU MD2 . . 5.000 2.341 1.793 3.036 . 0 0 "[ . 1 . 2]" 1
629 1 63 LEU MD1 1 77 LEU HG . . 3.300 2.212 1.882 2.765 . 0 0 "[ . 1 . 2]" 1
630 1 63 LEU MD1 1 78 PHE H . . 5.000 3.323 2.826 4.223 . 0 0 "[ . 1 . 2]" 1
631 1 63 LEU MD1 1 78 PHE HA . . 3.300 2.248 1.958 2.685 . 0 0 "[ . 1 . 2]" 1
632 1 63 LEU MD1 1 78 PHE HD1 . . 3.300 2.739 1.962 3.280 . 0 0 "[ . 1 . 2]" 1
633 1 63 LEU MD1 1 81 VAL MG1 . . 3.300 3.133 2.675 3.325 0.025 12 0 "[ . 1 . 2]" 1
634 1 64 ASP H 1 65 PRO HD2 . . 3.300 2.164 2.015 2.263 . 0 0 "[ . 1 . 2]" 1
635 1 64 ASP H 1 65 PRO HD3 . . 3.300 3.226 3.092 3.316 0.016 17 0 "[ . 1 . 2]" 1
636 1 64 ASP QB 1 65 PRO QD . . 2.700 1.851 1.822 1.876 . 0 0 "[ . 1 . 2]" 1
637 1 64 ASP QB 1 78 PHE HE1 . . 5.000 3.704 2.787 4.219 . 0 0 "[ . 1 . 2]" 1
638 1 64 ASP H 1 78 PHE HE1 . . 5.000 3.690 3.391 3.996 . 0 0 "[ . 1 . 2]" 1
639 1 64 ASP H 1 78 PHE HD1 . . 5.000 4.130 3.777 4.430 . 0 0 "[ . 1 . 2]" 1
640 1 64 ASP HA 1 78 PHE HE1 . . 3.300 2.984 2.473 3.315 0.015 6 0 "[ . 1 . 2]" 1
641 1 64 ASP HA 1 78 PHE HD1 . . 5.000 4.081 3.490 4.501 . 0 0 "[ . 1 . 2]" 1
642 1 65 PRO HB2 1 66 MET H . . 5.000 3.749 3.632 3.892 . 0 0 "[ . 1 . 2]" 1
643 1 65 PRO HG2 1 66 MET H . . 3.300 2.966 2.779 3.209 . 0 0 "[ . 1 . 2]" 1
644 1 65 PRO HD2 1 66 MET H . . 3.300 2.805 2.724 2.935 . 0 0 "[ . 1 . 2]" 1
645 1 66 MET QB 1 74 LEU MD1 . . 5.000 1.977 1.826 2.348 . 0 0 "[ . 1 . 2]" 1
646 1 66 MET QB 1 74 LEU MD2 . . 5.000 1.945 1.776 2.337 . 0 0 "[ . 1 . 2]" 1
647 1 65 PRO HD2 1 67 VAL H . . 5.000 4.677 4.553 4.946 . 0 0 "[ . 1 . 2]" 1
648 1 67 VAL H 1 67 VAL MG2 . . 3.300 2.655 2.577 2.751 . 0 0 "[ . 1 . 2]" 1
649 1 67 VAL H 1 67 VAL HB . . 2.700 2.265 2.231 2.373 . 0 0 "[ . 1 . 2]" 1
650 1 67 VAL HA 1 67 VAL MG2 . . 2.700 2.114 2.043 2.219 . 0 0 "[ . 1 . 2]" 1
651 1 67 VAL HA 1 74 LEU MD2 . . 2.700 2.641 2.385 2.730 0.030 13 0 "[ . 1 . 2]" 1
652 1 67 VAL MG2 1 74 LEU MD2 . . 3.300 3.101 2.553 3.313 0.013 17 0 "[ . 1 . 2]" 1
653 1 67 VAL MG2 1 75 LYS HA . . 3.300 3.014 2.575 3.322 0.022 12 0 "[ . 1 . 2]" 1
654 1 67 VAL MG2 1 75 LYS QB . . 5.000 3.962 3.346 4.554 . 0 0 "[ . 1 . 2]" 1
655 1 67 VAL MG2 1 75 LYS QG . . 3.300 2.718 1.888 3.268 . 0 0 "[ . 1 . 2]" 1
656 1 67 VAL MG1 1 75 LYS QG . . 3.300 2.810 1.956 3.305 0.005 17 0 "[ . 1 . 2]" 1
657 1 67 VAL MG1 1 75 LYS QE . . 3.300 3.264 3.026 3.323 0.023 13 0 "[ . 1 . 2]" 1
658 1 67 VAL MG2 1 78 PHE QE . . 2.700 2.689 2.563 2.723 0.023 11 0 "[ . 1 . 2]" 1
659 1 67 VAL MG2 1 78 PHE QD . . 2.700 2.460 2.151 2.697 . 0 0 "[ . 1 . 2]" 1
660 1 67 VAL MG2 1 78 PHE HB2 . . 3.300 3.088 2.726 3.311 0.011 7 0 "[ . 1 . 2]" 1
661 1 67 VAL MG2 1 78 PHE HB3 . . 3.300 3.095 2.873 3.365 0.065 11 0 "[ . 1 . 2]" 1
662 1 68 PRO HB2 1 69 THR H . . 5.000 3.621 2.924 3.982 . 0 0 "[ . 1 . 2]" 1
663 1 68 PRO HG2 1 69 THR H . . 3.300 2.859 1.940 3.381 0.081 13 0 "[ . 1 . 2]" 1
664 1 68 PRO HD2 1 69 THR H . . 3.300 2.895 2.649 3.052 . 0 0 "[ . 1 . 2]" 1
665 1 68 PRO HB2 1 69 THR MG . . 5.000 4.117 2.693 5.050 0.050 12 0 "[ . 1 . 2]" 1
666 1 68 PRO HG2 1 69 THR MG . . 5.000 3.911 2.339 5.026 0.026 13 0 "[ . 1 . 2]" 1
667 1 70 GLY H 1 74 LEU MD2 . . 5.000 4.075 3.667 4.865 . 0 0 "[ . 1 . 2]" 1
668 1 70 GLY HA3 1 74 LEU MD2 . . 3.300 2.314 1.972 3.302 0.002 9 0 "[ . 1 . 2]" 1
669 1 70 GLY HA2 1 74 LEU MD2 . . 5.000 3.815 3.459 4.761 . 0 0 "[ . 1 . 2]" 1
670 1 70 GLY H 1 75 LYS QE . . 5.000 4.994 4.776 5.044 0.044 13 0 "[ . 1 . 2]" 1
671 1 71 SER H 1 71 SER HB3 . . 2.700 2.491 2.148 2.702 0.002 11 0 "[ . 1 . 2]" 1
672 1 71 SER HB2 1 72 GLU H . . 2.700 2.348 2.149 2.621 . 0 0 "[ . 1 . 2]" 1
673 1 71 SER H 1 74 LEU MD2 . . 5.000 3.913 3.372 5.001 0.001 2 0 "[ . 1 . 2]" 1
674 1 71 SER H 1 74 LEU QB . . 5.000 2.855 2.136 3.433 . 0 0 "[ . 1 . 2]" 1
675 1 74 LEU H 1 74 LEU QB . . 2.700 2.276 2.185 2.360 . 0 0 "[ . 1 . 2]" 1
676 1 74 LEU HA 1 74 LEU HG . . 2.700 2.580 2.388 2.741 0.041 13 0 "[ . 1 . 2]" 1
677 1 74 LEU HG 1 78 PHE H . . 5.000 4.546 4.085 5.007 0.007 20 0 "[ . 1 . 2]" 1
678 1 35 TRP HH2 1 76 SER QB . . 3.300 2.135 1.925 2.669 . 0 0 "[ . 1 . 2]" 1
679 1 77 LEU HA 1 77 LEU MD1 . . 2.700 2.234 2.042 2.444 . 0 0 "[ . 1 . 2]" 1
680 1 77 LEU QB 1 78 PHE H . . 3.300 2.704 2.470 2.911 . 0 0 "[ . 1 . 2]" 1
681 1 77 LEU HG 1 81 VAL MG2 . . 3.300 2.166 1.949 2.859 . 0 0 "[ . 1 . 2]" 1
682 1 77 LEU MD1 1 81 VAL MG2 . . 3.300 2.179 1.860 2.707 . 0 0 "[ . 1 . 2]" 1
683 1 78 PHE HE2 1 100 LYS QG . . 5.000 3.386 1.987 4.820 . 0 0 "[ . 1 . 2]" 1
684 1 78 PHE HD2 1 100 LYS QG . . 5.000 4.276 3.358 5.010 0.010 20 0 "[ . 1 . 2]" 1
685 1 79 ASN HA 1 96 THR MG . . 5.000 3.144 2.579 4.309 . 0 0 "[ . 1 . 2]" 1
686 1 79 ASN QB 1 96 THR MG . . 3.300 2.129 1.931 3.058 . 0 0 "[ . 1 . 2]" 1
687 1 79 ASN HA 1 100 LYS QG . . 3.300 3.204 2.832 3.334 0.034 15 0 "[ . 1 . 2]" 1
688 1 80 THR HA 1 80 THR MG . . 2.700 2.283 2.211 2.330 . 0 0 "[ . 1 . 2]" 1
689 1 80 THR H 1 80 THR HB . . 2.700 2.644 2.484 2.721 0.021 15 0 "[ . 1 . 2]" 1
690 1 80 THR HB 1 81 VAL H . . 2.700 2.505 2.275 2.742 0.042 12 0 "[ . 1 . 2]" 1
691 1 81 VAL HA 1 81 VAL MG2 . . 2.700 2.377 2.279 2.409 . 0 0 "[ . 1 . 2]" 1
692 1 81 VAL H 1 81 VAL HB . . 2.700 2.605 2.510 2.693 . 0 0 "[ . 1 . 2]" 1
693 1 81 VAL HB 1 82 CYS H . . 3.300 2.825 2.245 3.134 . 0 0 "[ . 1 . 2]" 1
694 1 81 VAL MG1 1 82 CYS H . . 5.000 3.642 3.093 3.826 . 0 0 "[ . 1 . 2]" 1
695 1 82 CYS QB 1 99 ALA MB . . 5.000 2.866 2.388 3.824 . 0 0 "[ . 1 . 2]" 1
696 1 82 CYS QB 1 100 LYS HA . . 5.000 2.592 2.059 3.044 . 0 0 "[ . 1 . 2]" 1
697 1 82 CYS HA 1 103 VAL MG2 . . 2.700 2.690 2.560 2.733 0.033 19 0 "[ . 1 . 2]" 1
698 1 82 CYS QB 1 103 VAL MG2 . . 3.300 2.791 2.319 3.186 . 0 0 "[ . 1 . 2]" 1
699 1 82 CYS QB 1 103 VAL MG1 . . 5.000 4.161 3.291 4.656 . 0 0 "[ . 1 . 2]" 1
700 1 83 VAL H 1 83 VAL HB . . 2.700 2.500 2.441 2.609 . 0 0 "[ . 1 . 2]" 1
701 1 83 VAL H 1 83 VAL MG2 . . 3.300 2.412 2.170 2.912 . 0 0 "[ . 1 . 2]" 1
702 1 83 VAL HA 1 83 VAL MG2 . . 2.700 2.297 2.214 2.393 . 0 0 "[ . 1 . 2]" 1
703 1 83 VAL HA 1 83 VAL MG1 . . 2.700 2.356 2.278 2.433 . 0 0 "[ . 1 . 2]" 1
704 1 83 VAL HB 1 84 ILE H . . 2.700 2.538 2.127 2.761 0.061 16 0 "[ . 1 . 2]" 1
705 1 83 VAL MG1 1 87 ILE MG . . 5.000 4.869 4.657 5.042 0.042 6 0 "[ . 1 . 2]" 1
706 1 83 VAL MG1 1 93 VAL MG2 . . 5.000 3.122 2.719 3.588 . 0 0 "[ . 1 . 2]" 1
707 1 83 VAL HA 1 93 VAL MG2 . . 5.000 3.726 3.431 4.321 . 0 0 "[ . 1 . 2]" 1
708 1 83 VAL MG2 1 96 THR HA . . 2.700 2.615 2.147 2.741 0.041 12 0 "[ . 1 . 2]" 1
709 1 83 VAL MG2 1 96 THR MG . . 2.700 2.483 1.947 2.705 0.005 12 0 "[ . 1 . 2]" 1
710 1 83 VAL MG2 1 99 ALA MB . . 3.300 2.460 2.019 2.901 . 0 0 "[ . 1 . 2]" 1
711 1 83 VAL H 1 99 ALA MB . . 5.000 3.933 3.460 4.483 . 0 0 "[ . 1 . 2]" 1
712 1 83 VAL HA 1 99 ALA MB . . 2.700 2.580 2.141 2.722 0.022 13 0 "[ . 1 . 2]" 1
713 1 84 ILE HA 1 84 ILE MD . . 3.300 2.142 2.016 2.415 . 0 0 "[ . 1 . 2]" 1
714 1 84 ILE H 1 84 ILE HB . . 2.700 2.591 2.475 2.686 . 0 0 "[ . 1 . 2]" 1
715 1 84 ILE H 1 84 ILE QG . . 2.700 1.988 1.882 2.205 . 0 0 "[ . 1 . 2]" 1
716 1 84 ILE HB 1 85 TRP H . . 3.300 2.607 2.279 2.857 . 0 0 "[ . 1 . 2]" 1
717 1 84 ILE MG 1 88 HIS HD2 . . 2.700 2.608 2.293 2.723 0.023 17 0 "[ . 1 . 2]" 1
718 1 85 TRP H 1 85 TRP HB2 . . 2.700 2.529 2.468 2.580 . 0 0 "[ . 1 . 2]" 1
719 1 85 TRP H 1 85 TRP HB3 . . 2.700 2.544 2.496 2.611 . 0 0 "[ . 1 . 2]" 1
720 1 85 TRP HE3 1 86 CYS HA . . 2.700 2.356 2.149 2.703 0.003 8 0 "[ . 1 . 2]" 1
721 1 85 TRP HB3 1 86 CYS H . . 2.700 2.578 2.377 2.749 0.049 14 0 "[ . 1 . 2]" 1
722 1 85 TRP HA 1 88 HIS HD2 . . 3.300 2.923 2.308 3.308 0.008 9 0 "[ . 1 . 2]" 1
723 1 85 TRP QB 1 103 VAL MG2 . . 5.000 2.838 2.439 3.133 . 0 0 "[ . 1 . 2]" 1
724 1 85 TRP HE3 1 103 VAL MG2 . . 2.700 2.503 2.169 2.709 0.009 15 0 "[ . 1 . 2]" 1
725 1 85 TRP HZ3 1 103 VAL MG2 . . 5.000 3.252 2.707 3.833 . 0 0 "[ . 1 . 2]" 1
726 1 86 CYS HB3 1 91 GLU QB . . 5.000 2.663 2.123 3.381 . 0 0 "[ . 1 . 2]" 1
727 1 86 CYS HA 1 91 GLU QB . . 3.300 2.327 1.977 3.021 . 0 0 "[ . 1 . 2]" 1
728 1 86 CYS HB3 1 91 GLU H . . 5.000 4.002 3.199 4.520 . 0 0 "[ . 1 . 2]" 1
729 1 86 CYS HA 1 91 GLU H . . 5.000 3.634 3.165 4.252 . 0 0 "[ . 1 . 2]" 1
730 1 86 CYS HB3 1 93 VAL MG1 . . 5.000 3.193 2.519 3.720 . 0 0 "[ . 1 . 2]" 1
731 1 86 CYS HB2 1 99 ALA MB . . 5.000 3.081 2.741 3.506 . 0 0 "[ . 1 . 2]" 1
732 1 86 CYS HA 1 103 VAL MG2 . . 5.000 4.156 3.730 4.767 . 0 0 "[ . 1 . 2]" 1
733 1 86 CYS H 1 103 VAL MG2 . . 5.000 3.834 3.485 4.328 . 0 0 "[ . 1 . 2]" 1
734 1 87 ILE HA 1 87 ILE QG . . 2.700 2.438 2.317 2.466 . 0 0 "[ . 1 . 2]" 1
735 1 87 ILE HA 1 87 ILE MG . . 2.700 2.327 2.284 2.379 . 0 0 "[ . 1 . 2]" 1
736 1 87 ILE H 1 87 ILE HG13 . . 2.700 2.111 1.933 2.446 . 0 0 "[ . 1 . 2]" 1
737 1 87 ILE H 1 87 ILE HB . . 2.700 2.568 2.444 2.635 . 0 0 "[ . 1 . 2]" 1
738 1 87 ILE HB 1 88 HIS H . . 2.700 2.711 2.493 2.808 0.108 15 0 "[ . 1 . 2]" 1
739 1 88 HIS HB2 1 88 HIS HD2 . . 3.300 2.734 2.689 2.850 . 0 0 "[ . 1 . 2]" 1
740 1 53 LYS QD 1 89 ALA HA . . 2.900 2.496 1.929 2.910 0.010 20 0 "[ . 1 . 2]" 1
741 1 53 LYS QE 1 89 ALA HA . . 3.300 3.071 2.112 3.308 0.008 17 0 "[ . 1 . 2]" 1
742 1 85 TRP HH2 1 89 ALA MB . . 3.300 2.876 2.720 3.158 . 0 0 "[ . 1 . 2]" 1
743 1 85 TRP HZ2 1 89 ALA MB . . 3.300 3.270 3.077 3.329 0.029 17 0 "[ . 1 . 2]" 1
744 1 85 TRP HZ3 1 89 ALA MB . . 3.300 2.841 2.615 3.203 . 0 0 "[ . 1 . 2]" 1
745 1 85 TRP HE3 1 89 ALA MB . . 3.300 3.244 3.054 3.347 0.047 11 0 "[ . 1 . 2]" 1
746 1 89 ALA MB 1 91 GLU QB . . 3.300 3.185 2.648 3.371 0.071 20 0 "[ . 1 . 2]" 1
747 1 89 ALA MB 1 91 GLU QG . . 2.700 2.447 2.093 2.730 0.030 19 0 "[ . 1 . 2]" 1
748 1 87 ILE HA 1 90 GLU HA . . 5.000 4.380 4.036 4.753 . 0 0 "[ . 1 . 2]" 1
749 1 91 GLU H 1 91 GLU QB . . 3.300 2.375 2.184 2.545 . 0 0 "[ . 1 . 2]" 1
750 1 91 GLU HA 1 93 VAL MG1 . . 5.000 4.832 4.432 5.003 0.003 8 0 "[ . 1 . 2]" 1
751 1 91 GLU QB 1 93 VAL MG1 . . 5.000 3.087 2.708 3.327 . 0 0 "[ . 1 . 2]" 1
752 1 91 GLU QB 1 102 ILE MG . . 3.300 3.074 2.694 3.306 0.006 6 0 "[ . 1 . 2]" 1
753 1 91 GLU QB 1 102 ILE MD . . 3.300 2.740 2.255 3.236 . 0 0 "[ . 1 . 2]" 1
754 1 91 GLU QG 1 102 ILE MG . . 3.300 2.656 1.917 3.168 . 0 0 "[ . 1 . 2]" 1
755 1 91 GLU QG 1 102 ILE MD . . 5.000 3.773 3.217 4.250 . 0 0 "[ . 1 . 2]" 1
756 1 93 VAL H 1 93 VAL MG1 . . 3.300 3.052 2.780 3.311 0.011 17 0 "[ . 1 . 2]" 1
757 1 93 VAL H 1 93 VAL MG2 . . 2.700 2.149 1.948 2.352 . 0 0 "[ . 1 . 2]" 1
758 1 93 VAL HA 1 93 VAL HB . . 2.700 2.464 2.411 2.539 . 0 0 "[ . 1 . 2]" 1
759 1 93 VAL HB 1 94 LYS H . . 3.300 2.708 1.916 3.240 . 0 0 "[ . 1 . 2]" 1
760 1 93 VAL HB 1 95 ASP H . . 3.300 2.973 2.652 3.306 0.006 15 0 "[ . 1 . 2]" 1
761 1 93 VAL MG2 1 95 ASP H . . 5.000 3.634 3.009 4.316 . 0 0 "[ . 1 . 2]" 1
762 1 93 VAL HB 1 99 ALA MB . . 5.000 3.177 2.327 3.644 . 0 0 "[ . 1 . 2]" 1
763 1 93 VAL HB 1 99 ALA H . . 3.300 3.245 3.072 3.318 0.018 16 0 "[ . 1 . 2]" 1
764 1 93 VAL HB 1 99 ALA HA . . 5.000 3.893 3.522 4.337 . 0 0 "[ . 1 . 2]" 1
765 1 93 VAL MG1 1 99 ALA HA . . 2.700 2.045 1.892 2.285 . 0 0 "[ . 1 . 2]" 1
766 1 93 VAL MG1 1 99 ALA MB . . 3.300 2.217 1.927 2.510 . 0 0 "[ . 1 . 2]" 1
767 1 93 VAL MG2 1 99 ALA MB . . 2.700 2.188 1.893 2.610 . 0 0 "[ . 1 . 2]" 1
768 1 93 VAL MG1 1 102 ILE MD . . 2.700 1.917 1.788 2.220 . 0 0 "[ . 1 . 2]" 1
769 1 95 ASP H 1 95 ASP HB3 . . 3.300 3.306 3.261 3.331 0.031 20 0 "[ . 1 . 2]" 1
770 1 95 ASP HA 1 95 ASP HB2 . . 2.700 2.493 2.447 2.541 . 0 0 "[ . 1 . 2]" 1
771 1 95 ASP HA 1 95 ASP HB3 . . 2.700 2.416 2.373 2.459 . 0 0 "[ . 1 . 2]" 1
772 1 95 ASP HB2 1 96 THR H . . 3.300 1.977 1.923 2.334 . 0 0 "[ . 1 . 2]" 1
773 1 95 ASP HB2 1 97 GLU H . . 3.300 2.975 2.569 3.302 0.002 19 0 "[ . 1 . 2]" 1
774 1 96 THR HB 1 97 GLU H . . 3.300 2.640 2.416 3.065 . 0 0 "[ . 1 . 2]" 1
775 1 99 ALA H 1 99 ALA MB . . 2.700 2.110 2.033 2.243 . 0 0 "[ . 1 . 2]" 1
776 1 100 LYS HA 1 100 LYS QB . . 2.700 2.496 2.404 2.539 . 0 0 "[ . 1 . 2]" 1
777 1 102 ILE H 1 102 ILE HB . . 2.700 2.555 2.510 2.607 . 0 0 "[ . 1 . 2]" 1
778 1 102 ILE H 1 102 ILE HG13 . . 2.700 2.057 1.955 2.130 . 0 0 "[ . 1 . 2]" 1
779 1 102 ILE HA 1 102 ILE HG12 . . 2.700 2.584 2.509 2.696 . 0 0 "[ . 1 . 2]" 1
780 1 102 ILE HB 1 102 ILE HG13 . . 2.700 2.513 2.457 2.579 . 0 0 "[ . 1 . 2]" 1
781 1 103 VAL HB 1 104 ARG H . . 3.300 2.422 2.331 2.626 . 0 0 "[ . 1 . 2]" 1
782 1 103 VAL MG1 1 104 ARG H . . 3.300 3.296 3.194 3.325 0.025 20 0 "[ . 1 . 2]" 1
783 1 103 VAL MG1 1 107 LEU MD1 . . 2.700 2.281 1.890 2.638 . 0 0 "[ . 1 . 2]" 1
784 1 103 VAL MG1 1 107 LEU QB . . 5.000 4.178 3.647 4.556 . 0 0 "[ . 1 . 2]" 1
785 1 104 ARG QG 1 108 VAL MG2 . . 3.300 2.566 1.927 3.301 0.001 4 0 "[ . 1 . 2]" 1
786 1 102 ILE MG 1 106 HIS HD2 . . 2.700 2.207 1.896 2.682 . 0 0 "[ . 1 . 2]" 1
787 1 106 HIS H 1 106 HIS HB2 . . 2.700 2.293 2.181 2.444 . 0 0 "[ . 1 . 2]" 1
788 1 106 HIS HA 1 106 HIS HB3 . . 2.700 2.599 2.524 2.677 . 0 0 "[ . 1 . 2]" 1
789 1 106 HIS HB2 1 106 HIS HD2 . . 3.300 2.736 2.690 2.873 . 0 0 "[ . 1 . 2]" 1
790 1 107 LEU HA 1 107 LEU MD2 . . 2.700 2.299 1.997 2.627 . 0 0 "[ . 1 . 2]" 1
791 1 107 LEU H 1 107 LEU HG . . 2.700 2.499 2.236 2.701 0.001 15 0 "[ . 1 . 2]" 1
792 1 111 THR HA 1 111 THR MG . . 2.700 2.260 1.997 3.042 0.342 20 0 "[ . 1 . 2]" 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 26
_Distance_constraint_stats_list.Viol_count 108
_Distance_constraint_stats_list.Viol_total 21.842
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0101
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 LEU 0.075 0.010 7 0 "[ . 1 . 2]"
1 26 LYS 0.232 0.034 17 0 "[ . 1 . 2]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 HIS 0.105 0.052 11 0 "[ . 1 . 2]"
1 35 TRP 0.265 0.051 11 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 PBU 1.092 0.052 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 1 PBU H2' 3 1 PBU H81 . . 2.700 2.713 2.702 2.729 0.029 16 0 "[ . 1 . 2]" 2
2 3 1 PBU H2' 3 1 PBU H82 . . 2.700 2.702 2.606 2.719 0.019 17 0 "[ . 1 . 2]" 2
3 1 20 LEU MD2 3 1 PBU C10 . . 3.800 3.141 2.459 3.809 0.009 14 0 "[ . 1 . 2]" 2
4 1 28 TYR QE 3 1 PBU C10 . . 3.800 3.388 2.683 3.793 . 0 0 "[ . 1 . 2]" 2
5 1 76 SER QB 3 1 PBU C10 . . 5.500 3.948 3.512 4.479 . 0 0 "[ . 1 . 2]" 2
6 1 35 TRP HD1 3 1 PBU H2' . . 5.000 4.726 4.336 5.010 0.010 11 0 "[ . 1 . 2]" 2
7 1 35 TRP HE1 3 1 PBU H2' . . 5.000 4.979 4.822 5.051 0.051 11 0 "[ . 1 . 2]" 2
8 1 32 HIS HD2 3 1 PBU H2' . . 5.000 3.481 3.173 3.901 . 0 0 "[ . 1 . 2]" 2
9 1 35 TRP HD1 3 1 PBU C1' . . 5.500 4.612 3.125 5.516 0.016 13 0 "[ . 1 . 2]" 2
10 1 32 HIS HD2 3 1 PBU C1' . . 5.500 5.275 4.684 5.552 0.052 11 0 "[ . 1 . 2]" 2
11 1 28 TYR QE 3 1 PBU C8 . . 5.500 5.338 4.750 5.498 . 0 0 "[ . 1 . 2]" 2
12 1 32 HIS HD2 3 1 PBU C8 . . 3.300 2.850 2.632 3.051 . 0 0 "[ . 1 . 2]" 2
13 1 35 TRP HE3 3 1 PBU C8 . . 5.500 3.936 3.392 4.620 . 0 0 "[ . 1 . 2]" 2
14 1 35 TRP HZ3 3 1 PBU C8 . . 5.500 4.450 3.881 5.140 . 0 0 "[ . 1 . 2]" 2
15 1 20 LEU MD1 3 1 PBU H1 . . 3.300 2.963 2.063 3.309 0.009 19 0 "[ . 1 . 2]" 2
16 1 20 LEU MD2 3 1 PBU H1 . . 5.000 3.742 2.369 4.347 . 0 0 "[ . 1 . 2]" 2
17 1 20 LEU MD1 3 1 PBU H2 . . 5.000 2.705 2.126 3.261 . 0 0 "[ . 1 . 2]" 2
18 1 20 LEU MD2 3 1 PBU H2 . . 5.000 4.512 3.665 5.006 0.006 10 0 "[ . 1 . 2]" 2
19 1 26 LYS QE 3 1 PBU H2 . . 3.300 3.007 2.384 3.314 0.014 20 0 "[ . 1 . 2]" 2
20 1 26 LYS QD 3 1 PBU H2 . . 3.300 3.086 2.493 3.334 0.034 17 0 "[ . 1 . 2]" 2
21 1 20 LEU MD1 3 1 PBU H3 . . 3.300 2.980 1.963 3.310 0.010 7 0 "[ . 1 . 2]" 2
22 1 20 LEU MD2 3 1 PBU H3 . . 5.000 3.860 2.951 4.545 . 0 0 "[ . 1 . 2]" 2
23 1 20 LEU MD1 3 1 PBU H5 . . 5.000 4.469 3.605 4.848 . 0 0 "[ . 1 . 2]" 2
24 1 20 LEU MD2 3 1 PBU H5 . . 5.000 4.506 3.617 5.004 0.004 6 0 "[ . 1 . 2]" 2
25 1 26 LYS QD 3 1 PBU H1 . . 5.000 4.817 3.998 5.024 0.024 15 0 "[ . 1 . 2]" 2
26 1 26 LYS QE 3 1 PBU H1 . . 5.000 4.734 4.106 5.016 0.016 18 0 "[ . 1 . 2]" 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 12
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 1976.627
_Distance_constraint_stats_list.Viol_max 2.198
_Distance_constraint_stats_list.Viol_rms 0.7803
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4118
_Distance_constraint_stats_list.Viol_average_violations_only 0.9237
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 LEU 2.980 0.352 15 0 "[ . 1 . 2]"
1 26 LYS 2.980 0.352 15 0 "[ . 1 . 2]"
1 28 TYR 0.322 0.041 7 0 "[ . 1 . 2]"
1 29 ARG 0.883 0.163 11 0 "[ . 1 . 2]"
1 32 HIS 0.883 0.163 11 0 "[ . 1 . 2]"
1 52 SER 0.077 0.018 9 0 "[ . 1 . 2]"
1 55 GLY 0.077 0.018 9 0 "[ . 1 . 2]"
1 91 GLU 82.232 2.198 13 20 [***********-+*******]
1 95 ASP 12.336 1.559 16 5 "[ . *1*- .+ * 2]"
1 96 THR 0.322 0.041 7 0 "[ . 1 . 2]"
1 98 GLY 12.336 1.559 16 5 "[ . *1*- .+ * 2]"
1 106 HIS 82.232 2.198 13 20 [***********-+*******]
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 20 LEU H 1 26 LYS O . . 2.000 1.963 1.779 2.352 0.352 15 0 "[ . 1 . 2]" 3
2 1 20 LEU N 1 26 LYS O . . 3.000 2.892 2.723 3.303 0.303 15 0 "[ . 1 . 2]" 3
3 1 28 TYR OH 1 96 THR HG1 . . 2.000 2.009 1.925 2.041 0.041 7 0 "[ . 1 . 2]" 3
4 1 28 TYR OH 1 96 THR OG1 . . 3.000 2.855 2.728 2.961 . 0 0 "[ . 1 . 2]" 3
5 1 29 ARG H 1 32 HIS ND1 . . 2.000 2.042 2.003 2.163 0.163 11 0 "[ . 1 . 2]" 3
6 1 29 ARG N 1 32 HIS ND1 . . 3.000 2.923 2.860 3.034 0.034 11 0 "[ . 1 . 2]" 3
7 1 52 SER OG 1 55 GLY H . . 2.000 1.979 1.881 2.018 0.018 9 0 "[ . 1 . 2]" 3
8 1 52 SER OG 1 55 GLY N . . 3.000 2.825 2.715 2.954 . 0 0 "[ . 1 . 2]" 3
9 1 91 GLU OE1 1 106 HIS HE2 . . 2.000 4.060 3.744 4.198 2.198 13 20 [***********-+*******] 3
10 1 91 GLU OE1 1 106 HIS NE2 . . 3.000 5.051 4.739 5.196 2.196 13 20 [***********-+*******] 3
11 1 95 ASP OD1 1 98 GLY H . . 2.000 2.270 1.799 3.559 1.559 16 5 "[ . *1*- .+ * 2]" 3
12 1 95 ASP OD1 1 98 GLY N . . 3.000 3.105 2.727 4.272 1.272 18 5 "[ . *1*- .* + 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.171
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0017
_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 21 ARG 0.009 0.004 7 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 PBU 0.009 0.004 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 LYS QZ 3 1 PBU OP2 . . 3.000 2.341 1.834 2.924 . 0 0 "[ . 1 . 2]" 4
2 1 26 LYS QZ 3 1 PBU OP3 . . 3.000 2.676 1.857 2.928 . 0 0 "[ . 1 . 2]" 4
3 1 21 ARG HE 3 1 PBU O41 . . 3.000 2.650 1.986 3.004 0.004 7 0 "[ . 1 . 2]" 4
4 1 75 LYS QZ 3 1 PBU O51 . . 3.000 2.892 2.828 2.919 . 0 0 "[ . 1 . 2]" 4
stop_
save_
Contact the webmaster for help, if required. Friday, June 7, 2024 11:47:30 AM GMT (wattos1)