Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388646 | 1n7t RC | 5631 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n7t
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 1428
_Distance_constraint_stats_list.Viol_count 296
_Distance_constraint_stats_list.Viol_total 179.739
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.191 0.113 3 0 "[ . 1 . 2]"
1 9 ALA 0.056 0.042 8 0 "[ . 1 . 2]"
1 10 LYS 0.154 0.068 12 0 "[ . 1 . 2]"
1 11 GLN 0.216 0.068 12 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.039 0.039 15 0 "[ . 1 . 2]"
1 14 ARG 0.485 0.059 2 0 "[ . 1 . 2]"
1 15 VAL 0.118 0.043 13 0 "[ . 1 . 2]"
1 16 ARG 0.216 0.094 2 0 "[ . 1 . 2]"
1 17 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.126 0.032 14 0 "[ . 1 . 2]"
1 20 ASP 0.009 0.009 5 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.072 0.024 7 0 "[ . 1 . 2]"
1 23 LEU 0.044 0.021 19 0 "[ . 1 . 2]"
1 24 GLY 0.069 0.018 19 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.119 0.038 12 0 "[ . 1 . 2]"
1 27 ILE 0.202 0.053 1 0 "[ . 1 . 2]"
1 28 SER 0.317 0.063 12 0 "[ . 1 . 2]"
1 29 GLY 0.070 0.070 19 0 "[ . 1 . 2]"
1 30 GLY 0.243 0.083 19 0 "[ . 1 . 2]"
1 31 VAL 0.645 0.147 15 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.044 0.025 15 0 "[ . 1 . 2]"
1 34 ARG 0.440 0.098 9 0 "[ . 1 . 2]"
1 35 GLY 0.189 0.070 19 0 "[ . 1 . 2]"
1 36 ASN 0.167 0.048 12 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.004 0.004 7 0 "[ . 1 . 2]"
1 39 ARG 0.310 0.059 10 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.105 0.046 12 0 "[ . 1 . 2]"
1 43 ASP 0.083 0.074 15 0 "[ . 1 . 2]"
1 44 GLY 0.155 0.039 20 0 "[ . 1 . 2]"
1 45 ILE 0.083 0.083 19 0 "[ . 1 . 2]"
1 46 PHE 0.656 0.100 19 0 "[ . 1 . 2]"
1 47 VAL 0.339 0.127 15 0 "[ . 1 . 2]"
1 48 THR 0.131 0.038 12 0 "[ . 1 . 2]"
1 49 ARG 0.135 0.033 7 0 "[ . 1 . 2]"
1 50 VAL 0.086 0.034 13 0 "[ . 1 . 2]"
1 51 GLN 0.026 0.012 8 0 "[ . 1 . 2]"
1 52 PRO 0.018 0.018 19 0 "[ . 1 . 2]"
1 53 GLU 0.062 0.062 10 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.039 0.016 18 0 "[ . 1 . 2]"
1 56 ALA 1.290 0.078 12 0 "[ . 1 . 2]"
1 57 SER 0.062 0.062 10 0 "[ . 1 . 2]"
1 58 LYS 0.141 0.047 8 0 "[ . 1 . 2]"
1 59 LEU 0.794 0.078 12 0 "[ . 1 . 2]"
1 60 LEU 0.527 0.075 15 0 "[ . 1 . 2]"
1 61 GLN 0.013 0.012 2 0 "[ . 1 . 2]"
1 62 PRO 0.091 0.034 13 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.134 0.066 5 0 "[ . 1 . 2]"
1 65 LYS 1.016 0.100 19 0 "[ . 1 . 2]"
1 66 ILE 0.455 0.127 15 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.278 0.057 11 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.107 0.057 11 0 "[ . 1 . 2]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.170 0.047 17 0 "[ . 1 . 2]"
1 74 PHE 0.082 0.033 4 0 "[ . 1 . 2]"
1 75 ILE 0.002 0.002 3 0 "[ . 1 . 2]"
1 76 ASN 0.530 0.147 15 0 "[ . 1 . 2]"
1 77 ILE 0.140 0.035 3 0 "[ . 1 . 2]"
1 78 GLU 0.038 0.025 15 0 "[ . 1 . 2]"
1 79 HIS 0.088 0.048 17 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.245 0.238 10 0 "[ . 1 . 2]"
1 82 ALA 0.064 0.035 3 0 "[ . 1 . 2]"
1 83 VAL 0.377 0.070 13 0 "[ . 1 . 2]"
1 84 SER 0.007 0.005 2 0 "[ . 1 . 2]"
1 85 LEU 0.005 0.005 8 0 "[ . 1 . 2]"
1 86 LEU 0.286 0.045 10 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.286 0.045 10 0 "[ . 1 . 2]"
1 90 GLN 0.114 0.048 2 0 "[ . 1 . 2]"
1 91 ASN 0.264 0.264 5 0 "[ . 1 . 2]"
1 92 THR 0.308 0.094 2 0 "[ . 1 . 2]"
1 93 VAL 0.032 0.032 14 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.116 0.116 17 0 "[ . 1 . 2]"
1 96 ILE 0.234 0.059 2 0 "[ . 1 . 2]"
1 97 ILE 0.203 0.057 14 0 "[ . 1 . 2]"
1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ARG 0.200 0.058 2 0 "[ . 1 . 2]"
1 100 GLU 0.354 0.066 5 0 "[ . 1 . 2]"
1 101 VAL 0.030 0.018 7 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 TRP 0.387 0.098 9 0 "[ . 1 . 2]"
2 4 GLU 0.500 0.084 15 0 "[ . 1 . 2]"
2 5 THR 0.175 0.070 13 0 "[ . 1 . 2]"
2 6 TRP 0.130 0.033 7 0 "[ . 1 . 2]"
2 7 VAL 0.077 0.024 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 7 GLU HA 1 8 LEU H 3.100 . 3.100 2.490 2.139 2.958 . 0 0 "[ . 1 . 2]" 1
2 1 8 LEU MD1 1 9 ALA H 5.600 . 6.100 4.046 2.369 5.106 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU MD2 1 9 ALA H 5.600 . 6.100 3.951 2.312 4.949 . 0 0 "[ . 1 . 2]" 1
4 1 8 LEU H 1 8 LEU MD1 5.600 . 6.100 3.743 1.971 4.839 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 8 LEU MD2 5.600 . 6.100 3.994 2.070 4.847 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU H 1 8 LEU HG 4.600 . 4.600 3.935 2.379 4.713 0.113 3 0 "[ . 1 . 2]" 1
7 1 9 ALA HA 1 10 LYS H 3.100 . 3.100 2.640 2.139 3.142 0.042 8 0 "[ . 1 . 2]" 1
8 1 9 ALA MB 1 10 LYS HA 5.600 . 6.100 4.211 3.846 4.474 . 0 0 "[ . 1 . 2]" 1
9 1 9 ALA MB 1 101 VAL HB 4.600 . 5.100 3.531 2.051 4.272 . 0 0 "[ . 1 . 2]" 1
10 1 10 LYS HA 1 11 GLN H 3.100 . 3.100 2.279 2.124 2.629 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS HG2 1 11 GLN H 5.600 . 5.600 4.269 2.134 5.345 . 0 0 "[ . 1 . 2]" 1
12 1 10 LYS HG3 1 11 GLN H 5.600 . 5.600 4.294 2.212 5.668 0.068 12 0 "[ . 1 . 2]" 1
13 1 10 LYS HG2 1 100 GLU HA 5.600 . 5.600 3.994 2.283 5.480 . 0 0 "[ . 1 . 2]" 1
14 1 10 LYS HG3 1 100 GLU HA 5.600 . 5.600 4.051 2.407 5.545 . 0 0 "[ . 1 . 2]" 1
15 1 10 LYS QG 1 101 VAL MG2 5.600 . 7.100 3.182 1.965 4.731 . 0 0 "[ . 1 . 2]" 1
16 1 10 LYS HG3 1 101 VAL H 5.600 . 5.600 4.066 2.580 5.151 . 0 0 "[ . 1 . 2]" 1
17 1 10 LYS HG2 1 101 VAL H 5.600 . 5.600 4.177 2.799 5.618 0.018 7 0 "[ . 1 . 2]" 1
18 1 10 LYS H 1 101 VAL MG1 5.600 . 6.100 4.471 3.132 5.050 . 0 0 "[ . 1 . 2]" 1
19 1 10 LYS H 1 101 VAL MG2 5.600 . 6.100 3.438 2.137 4.945 . 0 0 "[ . 1 . 2]" 1
20 1 11 GLN HB3 1 99 ARG H 5.600 . 5.600 4.430 2.651 5.653 0.053 20 0 "[ . 1 . 2]" 1
21 1 11 GLN HB2 1 99 ARG H 5.600 . 5.600 4.129 2.652 5.470 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLN HE22 1 101 VAL MG1 5.600 . 6.100 4.105 2.457 5.813 . 0 0 "[ . 1 . 2]" 1
23 1 11 GLN HE22 1 101 VAL MG2 5.600 . 6.100 4.447 1.935 5.785 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLN H 1 12 GLU H 4.600 . 4.600 4.226 3.734 4.571 . 0 0 "[ . 1 . 2]" 1
25 1 11 GLN H 1 98 VAL HA 5.600 . 5.600 4.556 3.911 5.090 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLN H 1 98 VAL MG1 5.600 . 6.100 2.911 2.360 3.360 . 0 0 "[ . 1 . 2]" 1
27 1 11 GLN H 1 99 ARG HB3 5.600 . 5.600 4.780 3.131 5.658 0.058 2 0 "[ . 1 . 2]" 1
28 1 11 GLN H 1 99 ARG HB2 5.600 . 5.600 4.035 2.913 5.431 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLN H 1 99 ARG H 3.700 . 3.700 3.144 2.454 3.595 . 0 0 "[ . 1 . 2]" 1
30 1 12 GLU HA 1 13 ILE H 3.100 . 3.100 2.183 2.134 2.249 . 0 0 "[ . 1 . 2]" 1
31 1 12 GLU HA 1 98 VAL HA 3.700 . 3.700 2.899 2.444 3.544 . 0 0 "[ . 1 . 2]" 1
32 1 12 GLU HA 1 99 ARG H 5.600 . 5.600 4.423 3.877 5.162 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLU QG 1 96 ILE MD 5.600 . 7.100 4.532 3.749 5.174 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLU QG 1 96 ILE QG 5.600 . 7.600 5.120 3.859 5.980 . 0 0 "[ . 1 . 2]" 1
35 1 13 ILE HA 1 14 ARG H 3.100 . 3.100 2.353 2.291 2.436 . 0 0 "[ . 1 . 2]" 1
36 1 13 ILE MD 1 14 ARG H 5.600 . 6.100 4.594 4.232 4.803 . 0 0 "[ . 1 . 2]" 1
37 1 13 ILE MD 1 99 ARG HD2 5.600 . 6.100 4.190 3.091 4.895 . 0 0 "[ . 1 . 2]" 1
38 1 13 ILE MD 1 99 ARG HD3 5.600 . 6.100 3.390 2.404 4.472 . 0 0 "[ . 1 . 2]" 1
39 1 13 ILE MD 1 99 ARG H 5.600 . 6.100 4.257 3.263 5.046 . 0 0 "[ . 1 . 2]" 1
40 1 13 ILE QG 1 14 ARG H 5.600 . 6.600 3.736 3.507 3.837 . 0 0 "[ . 1 . 2]" 1
41 1 13 ILE QG 1 15 VAL H 5.600 . 6.600 5.515 5.277 5.698 . 0 0 "[ . 1 . 2]" 1
42 1 13 ILE QG 1 99 ARG HD3 5.600 . 6.600 4.761 3.680 5.821 . 0 0 "[ . 1 . 2]" 1
43 1 13 ILE QG 1 99 ARG HD2 5.600 . 6.600 5.360 3.489 5.956 . 0 0 "[ . 1 . 2]" 1
44 1 13 ILE QG 1 99 ARG H 5.600 . 6.600 5.250 4.373 5.935 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE MG 1 14 ARG H 4.600 . 5.100 3.506 3.392 3.610 . 0 0 "[ . 1 . 2]" 1
46 1 13 ILE H 1 97 ILE MD 5.600 . 6.100 4.622 3.961 5.079 . 0 0 "[ . 1 . 2]" 1
47 1 13 ILE H 1 97 ILE H 4.600 . 4.600 3.525 3.255 3.943 . 0 0 "[ . 1 . 2]" 1
48 1 13 ILE H 1 98 VAL HA 5.600 . 5.600 3.468 3.030 3.845 . 0 0 "[ . 1 . 2]" 1
49 1 13 ILE H 1 99 ARG H 5.600 . 5.600 5.201 4.694 5.639 0.039 15 0 "[ . 1 . 2]" 1
50 1 14 ARG HA 1 15 VAL MG2 5.600 . 6.100 3.381 3.184 3.510 . 0 0 "[ . 1 . 2]" 1
51 1 14 ARG HA 1 96 ILE HA 4.600 . 4.600 2.494 2.021 2.851 . 0 0 "[ . 1 . 2]" 1
52 1 14 ARG QB 1 97 ILE H 5.600 . 6.600 5.183 4.724 5.601 . 0 0 "[ . 1 . 2]" 1
53 1 14 ARG HG3 1 15 VAL H 5.600 . 5.600 3.980 3.075 4.982 . 0 0 "[ . 1 . 2]" 1
54 1 14 ARG HG2 1 15 VAL H 5.600 . 5.600 2.702 1.994 4.228 . 0 0 "[ . 1 . 2]" 1
55 1 14 ARG HG2 1 96 ILE MD 5.600 . 6.100 3.266 1.906 4.880 . 0 0 "[ . 1 . 2]" 1
56 1 14 ARG HG3 1 96 ILE MD 5.600 . 6.100 2.857 1.841 4.345 0.059 2 0 "[ . 1 . 2]" 1
57 1 14 ARG QG 1 96 ILE H 5.600 . 6.600 4.585 4.102 5.408 . 0 0 "[ . 1 . 2]" 1
58 1 14 ARG HG3 1 97 ILE H 5.600 . 5.600 5.258 4.577 5.632 0.032 13 0 "[ . 1 . 2]" 1
59 1 14 ARG HG2 1 97 ILE H 5.600 . 5.600 5.098 3.986 5.657 0.057 14 0 "[ . 1 . 2]" 1
60 1 14 ARG H 1 14 ARG HB3 3.700 . 3.700 3.164 2.656 3.749 0.049 8 0 "[ . 1 . 2]" 1
61 1 14 ARG H 1 14 ARG HB2 3.700 . 3.700 2.511 2.180 2.839 . 0 0 "[ . 1 . 2]" 1
62 1 15 VAL HA 1 59 LEU MD1 5.600 . 6.100 3.534 2.458 5.110 . 0 0 "[ . 1 . 2]" 1
63 1 15 VAL HB 1 16 ARG H 4.600 . 4.600 3.162 2.360 4.326 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL HB 1 59 LEU HB3 5.600 . 5.600 2.899 1.994 4.710 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL HB 1 59 LEU HB2 5.600 . 5.600 4.008 2.915 5.643 0.043 13 0 "[ . 1 . 2]" 1
66 1 15 VAL HB 1 60 LEU MD1 5.600 . 6.100 4.088 3.460 4.562 . 0 0 "[ . 1 . 2]" 1
67 1 15 VAL HB 1 60 LEU MD2 5.600 . 6.100 3.925 2.794 4.959 . 0 0 "[ . 1 . 2]" 1
68 1 15 VAL MG1 1 16 ARG H 5.600 . 6.100 3.296 2.012 3.798 . 0 0 "[ . 1 . 2]" 1
69 1 15 VAL MG1 1 59 LEU HA 5.600 . 6.100 3.374 2.458 4.248 . 0 0 "[ . 1 . 2]" 1
70 1 15 VAL MG1 1 59 LEU HB3 5.600 . 6.100 2.094 1.868 2.478 0.032 18 0 "[ . 1 . 2]" 1
71 1 15 VAL MG1 1 59 LEU HB2 5.600 . 6.100 3.197 1.859 3.921 0.041 16 0 "[ . 1 . 2]" 1
72 1 15 VAL MG1 1 59 LEU MD1 5.600 . 6.600 2.902 1.899 4.122 0.001 18 0 "[ . 1 . 2]" 1
73 1 15 VAL MG1 1 60 LEU HA 5.600 . 6.100 3.862 3.059 4.480 . 0 0 "[ . 1 . 2]" 1
74 1 15 VAL MG1 1 60 LEU MD1 5.600 . 6.600 3.723 2.061 4.440 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL MG1 1 60 LEU H 5.600 . 6.100 3.961 3.393 4.359 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL MG2 1 16 ARG H 5.600 . 6.100 3.877 3.529 4.150 . 0 0 "[ . 1 . 2]" 1
77 1 15 VAL MG2 1 59 LEU HA 5.600 . 6.100 4.733 3.759 5.169 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL MG2 1 59 LEU HB3 5.600 . 6.100 2.972 2.311 3.453 . 0 0 "[ . 1 . 2]" 1
79 1 15 VAL MG2 1 59 LEU HB2 5.600 . 6.100 3.937 3.481 4.474 . 0 0 "[ . 1 . 2]" 1
80 1 15 VAL MG2 1 59 LEU MD1 5.600 . 6.600 3.700 3.241 4.443 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL MG2 1 60 LEU HA 5.600 . 6.100 3.998 3.316 4.589 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL MG2 1 60 LEU MD1 5.600 . 6.600 3.029 2.425 3.715 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL MG2 1 60 LEU HG 5.600 . 6.100 2.495 2.013 3.088 . 0 0 "[ . 1 . 2]" 1
84 1 15 VAL MG2 1 60 LEU H 5.600 . 6.100 4.446 4.074 4.827 . 0 0 "[ . 1 . 2]" 1
85 1 15 VAL MG2 1 95 LEU HB3 5.600 . 6.100 3.773 3.076 4.684 . 0 0 "[ . 1 . 2]" 1
86 1 15 VAL MG2 1 95 LEU HB2 5.600 . 6.100 2.680 2.029 3.959 . 0 0 "[ . 1 . 2]" 1
87 1 15 VAL H 1 95 LEU HB3 5.600 . 5.600 4.993 4.419 5.465 . 0 0 "[ . 1 . 2]" 1
88 1 15 VAL H 1 95 LEU H 4.600 . 4.600 3.018 2.681 3.598 . 0 0 "[ . 1 . 2]" 1
89 1 15 VAL H 1 96 ILE HA 4.600 . 4.600 3.865 3.458 4.250 . 0 0 "[ . 1 . 2]" 1
90 1 15 VAL H 1 97 ILE MG 5.600 . 6.100 4.838 4.656 4.932 . 0 0 "[ . 1 . 2]" 1
91 1 16 ARG HA 1 17 VAL H 3.100 . 3.100 2.157 2.146 2.177 . 0 0 "[ . 1 . 2]" 1
92 1 16 ARG HA 1 92 THR MG 5.600 . 6.100 4.334 3.562 4.875 . 0 0 "[ . 1 . 2]" 1
93 1 16 ARG HA 1 93 VAL H 5.600 . 5.600 4.110 3.614 4.621 . 0 0 "[ . 1 . 2]" 1
94 1 16 ARG HA 1 94 GLU HA 3.700 . 3.700 2.681 2.316 2.951 . 0 0 "[ . 1 . 2]" 1
95 1 16 ARG HA 1 94 GLU QB 5.600 . 6.600 4.505 3.586 4.829 . 0 0 "[ . 1 . 2]" 1
96 1 16 ARG HA 1 94 GLU H 5.600 . 5.600 4.804 4.418 5.087 . 0 0 "[ . 1 . 2]" 1
97 1 16 ARG QB 1 18 GLU H 5.600 . 6.600 5.216 4.626 5.732 . 0 0 "[ . 1 . 2]" 1
98 1 16 ARG QB 1 92 THR HB 5.600 . 6.600 4.949 2.817 5.983 . 0 0 "[ . 1 . 2]" 1
99 1 16 ARG HB2 1 92 THR MG 5.600 . 6.100 4.324 2.389 5.064 . 0 0 "[ . 1 . 2]" 1
100 1 16 ARG HB3 1 92 THR MG 5.600 . 6.100 3.838 2.756 4.603 . 0 0 "[ . 1 . 2]" 1
101 1 16 ARG QB 1 94 GLU HA 5.600 . 6.600 4.229 3.407 4.841 . 0 0 "[ . 1 . 2]" 1
102 1 16 ARG QD 1 92 THR HB 5.600 . 6.600 4.121 2.317 5.936 . 0 0 "[ . 1 . 2]" 1
103 1 16 ARG HD3 1 92 THR MG 5.600 . 6.100 3.607 1.878 5.000 0.022 18 0 "[ . 1 . 2]" 1
104 1 16 ARG HD2 1 92 THR MG 5.600 . 6.100 3.608 1.960 5.020 . 0 0 "[ . 1 . 2]" 1
105 1 16 ARG HG3 1 17 VAL H 5.600 . 5.600 3.870 2.798 4.985 . 0 0 "[ . 1 . 2]" 1
106 1 16 ARG HG2 1 17 VAL H 5.600 . 5.600 4.197 3.206 5.346 . 0 0 "[ . 1 . 2]" 1
107 1 16 ARG HG2 1 92 THR HB 5.600 . 5.600 4.361 3.123 5.694 0.094 2 0 "[ . 1 . 2]" 1
108 1 16 ARG HG3 1 92 THR HB 5.600 . 5.600 4.314 2.811 5.602 0.002 1 0 "[ . 1 . 2]" 1
109 1 16 ARG HG2 1 92 THR MG 5.600 . 6.100 2.962 2.086 4.966 . 0 0 "[ . 1 . 2]" 1
110 1 16 ARG HG3 1 92 THR MG 5.600 . 6.100 3.247 2.441 4.964 . 0 0 "[ . 1 . 2]" 1
111 1 16 ARG H 1 16 ARG HG3 5.600 . 5.600 4.169 2.448 4.805 . 0 0 "[ . 1 . 2]" 1
112 1 16 ARG H 1 16 ARG HG2 5.600 . 5.600 4.285 2.256 4.873 . 0 0 "[ . 1 . 2]" 1
113 1 16 ARG H 1 17 VAL H 4.600 . 4.600 4.297 4.142 4.452 . 0 0 "[ . 1 . 2]" 1
114 1 16 ARG H 1 94 GLU HA 5.600 . 5.600 4.969 4.727 5.298 . 0 0 "[ . 1 . 2]" 1
115 1 17 VAL HA 1 18 GLU H 3.100 . 3.100 2.155 2.140 2.199 . 0 0 "[ . 1 . 2]" 1
116 1 17 VAL HA 1 55 PRO HB2 5.600 . 5.600 4.496 3.852 4.993 . 0 0 "[ . 1 . 2]" 1
117 1 17 VAL HA 1 55 PRO HB3 5.600 . 5.600 5.002 4.410 5.532 . 0 0 "[ . 1 . 2]" 1
118 1 17 VAL HA 1 59 LEU MD1 5.600 . 6.100 3.671 2.992 5.029 . 0 0 "[ . 1 . 2]" 1
119 1 17 VAL HA 1 92 THR MG 5.600 . 6.100 4.652 4.281 4.897 . 0 0 "[ . 1 . 2]" 1
120 1 17 VAL HB 1 23 LEU MD2 5.600 . 6.100 2.925 2.431 3.270 . 0 0 "[ . 1 . 2]" 1
121 1 17 VAL HB 1 56 ALA MB 5.600 . 6.100 4.260 3.962 4.796 . 0 0 "[ . 1 . 2]" 1
122 1 17 VAL HB 1 93 VAL H 5.600 . 5.600 3.582 3.225 4.139 . 0 0 "[ . 1 . 2]" 1
123 1 17 VAL MG1 1 18 GLU HA 5.600 . 6.100 4.015 3.867 4.125 . 0 0 "[ . 1 . 2]" 1
124 1 17 VAL MG1 1 18 GLU H 5.600 . 6.100 2.759 2.438 3.053 . 0 0 "[ . 1 . 2]" 1
125 1 17 VAL MG1 1 19 LYS HA 5.600 . 6.100 3.973 3.733 4.325 . 0 0 "[ . 1 . 2]" 1
126 1 17 VAL MG1 1 23 LEU HA 5.600 . 6.100 2.411 2.047 2.737 . 0 0 "[ . 1 . 2]" 1
127 1 17 VAL MG1 1 24 GLY HA3 5.600 . 6.100 4.609 4.139 5.089 . 0 0 "[ . 1 . 2]" 1
128 1 17 VAL MG1 1 25 PHE HZ 5.600 . 6.100 4.533 4.196 4.860 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL MG1 1 55 PRO HA 5.600 . 6.100 3.828 3.427 4.192 . 0 0 "[ . 1 . 2]" 1
130 1 17 VAL MG1 1 55 PRO HB2 5.600 . 6.100 2.448 1.995 2.951 . 0 0 "[ . 1 . 2]" 1
131 1 17 VAL MG1 1 55 PRO HB3 5.600 . 6.100 3.399 3.097 3.931 . 0 0 "[ . 1 . 2]" 1
132 1 17 VAL MG1 1 55 PRO HG2 5.600 . 6.100 4.237 3.626 4.688 . 0 0 "[ . 1 . 2]" 1
133 1 17 VAL MG1 1 55 PRO HG3 5.600 . 6.100 4.542 3.990 5.096 . 0 0 "[ . 1 . 2]" 1
134 1 17 VAL MG1 1 56 ALA HA 5.600 . 6.100 3.667 3.110 4.143 . 0 0 "[ . 1 . 2]" 1
135 1 17 VAL MG1 1 56 ALA MB 5.600 . 6.600 2.373 2.017 2.911 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL MG1 1 56 ALA H 5.600 . 6.100 3.542 3.161 3.861 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL MG1 1 60 LEU MD1 5.600 . 6.600 3.887 3.427 4.286 . 0 0 "[ . 1 . 2]" 1
138 1 17 VAL MG2 1 18 GLU H 5.600 . 6.100 4.188 4.100 4.260 . 0 0 "[ . 1 . 2]" 1
139 1 17 VAL MG2 1 55 PRO HB2 5.600 . 6.100 4.300 3.793 4.852 . 0 0 "[ . 1 . 2]" 1
140 1 17 VAL MG2 1 56 ALA HA 5.600 . 6.100 3.153 2.393 3.557 . 0 0 "[ . 1 . 2]" 1
141 1 17 VAL MG2 1 56 ALA MB 5.600 . 6.600 2.309 1.899 2.781 0.001 19 0 "[ . 1 . 2]" 1
142 1 17 VAL MG2 1 56 ALA H 5.600 . 6.100 4.531 4.164 4.919 . 0 0 "[ . 1 . 2]" 1
143 1 17 VAL MG2 1 60 LEU MD1 5.600 . 6.600 2.525 2.200 2.752 . 0 0 "[ . 1 . 2]" 1
144 1 17 VAL MG2 1 93 VAL H 5.600 . 6.100 4.452 4.003 4.794 . 0 0 "[ . 1 . 2]" 1
145 1 17 VAL H 1 92 THR HA 5.600 . 5.600 4.321 3.674 4.850 . 0 0 "[ . 1 . 2]" 1
146 1 17 VAL H 1 93 VAL HB 5.600 . 5.600 3.308 2.977 3.613 . 0 0 "[ . 1 . 2]" 1
147 1 17 VAL H 1 93 VAL H 4.600 . 4.600 2.698 2.102 3.253 . 0 0 "[ . 1 . 2]" 1
148 1 17 VAL H 1 94 GLU HA 5.600 . 5.600 3.802 3.301 4.127 . 0 0 "[ . 1 . 2]" 1
149 1 17 VAL H 1 94 GLU QB 5.600 . 6.600 5.567 4.775 5.857 . 0 0 "[ . 1 . 2]" 1
150 1 17 VAL H 1 95 LEU H 5.600 . 5.600 4.406 3.943 4.767 . 0 0 "[ . 1 . 2]" 1
151 1 18 GLU HA 1 19 LYS H 3.100 . 3.100 2.194 2.139 2.432 . 0 0 "[ . 1 . 2]" 1
152 1 18 GLU HA 1 92 THR HA 3.100 . 3.100 2.160 2.000 2.442 . 0 0 "[ . 1 . 2]" 1
153 1 18 GLU HA 1 92 THR HB 5.600 2.900 5.600 4.820 4.570 5.095 . 0 0 "[ . 1 . 2]" 1
154 1 18 GLU HA 1 92 THR MG 5.600 . 6.100 3.000 2.650 3.253 . 0 0 "[ . 1 . 2]" 1
155 1 18 GLU HB3 1 19 LYS H 4.600 . 4.600 3.262 2.463 3.661 . 0 0 "[ . 1 . 2]" 1
156 1 18 GLU HB3 1 92 THR HA 5.600 . 5.600 4.219 3.768 4.798 . 0 0 "[ . 1 . 2]" 1
157 1 18 GLU HB3 1 92 THR MG 5.600 . 6.100 3.726 3.053 4.232 . 0 0 "[ . 1 . 2]" 1
158 1 18 GLU HB2 1 55 PRO HA 5.600 . 5.600 5.038 4.327 5.580 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLU HB2 1 55 PRO QB 4.600 . 5.600 4.564 3.648 4.982 . 0 0 "[ . 1 . 2]" 1
160 1 18 GLU HB2 1 92 THR HA 5.600 . 5.600 4.806 4.487 5.058 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLU HB2 1 92 THR MG 4.600 . 5.100 4.108 3.992 4.224 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLU H 1 55 PRO HB2 5.600 . 5.600 4.447 3.828 4.804 . 0 0 "[ . 1 . 2]" 1
163 1 18 GLU H 1 55 PRO HB3 5.600 . 5.600 4.199 3.616 4.670 . 0 0 "[ . 1 . 2]" 1
164 1 18 GLU H 1 93 VAL H 5.600 . 5.600 4.664 4.356 5.010 . 0 0 "[ . 1 . 2]" 1
165 1 19 LYS HA 1 19 LYS HE2 5.600 . 5.600 4.777 3.898 5.503 . 0 0 "[ . 1 . 2]" 1
166 1 19 LYS HA 1 19 LYS HE3 5.600 . 5.600 4.504 3.744 5.486 . 0 0 "[ . 1 . 2]" 1
167 1 19 LYS HA 1 20 ASP HB3 5.600 . 5.600 5.046 4.782 5.609 0.009 5 0 "[ . 1 . 2]" 1
168 1 19 LYS HA 1 20 ASP HB2 5.600 . 5.600 4.498 4.298 4.852 . 0 0 "[ . 1 . 2]" 1
169 1 19 LYS HA 1 20 ASP H 3.100 . 3.100 2.201 2.115 2.403 . 0 0 "[ . 1 . 2]" 1
170 1 19 LYS HA 1 22 GLU HA 5.600 . 5.600 3.433 2.896 3.773 . 0 0 "[ . 1 . 2]" 1
171 1 19 LYS HA 1 22 GLU H 5.600 . 5.600 4.200 3.992 4.381 . 0 0 "[ . 1 . 2]" 1
172 1 19 LYS HA 1 23 LEU HA 4.600 . 4.600 3.337 2.995 3.780 . 0 0 "[ . 1 . 2]" 1
173 1 19 LYS HA 1 91 ASN HA 5.600 . 5.600 4.835 4.571 5.197 . 0 0 "[ . 1 . 2]" 1
174 1 19 LYS HE3 1 22 GLU HA 5.600 . 5.600 5.245 4.783 5.510 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS HE2 1 22 GLU HA 5.600 . 5.600 5.115 4.611 5.540 . 0 0 "[ . 1 . 2]" 1
176 1 19 LYS HE2 1 23 LEU MD1 5.600 . 6.100 2.176 1.937 3.203 . 0 0 "[ . 1 . 2]" 1
177 1 19 LYS HE3 1 23 LEU MD1 5.600 . 6.100 3.540 3.264 4.088 . 0 0 "[ . 1 . 2]" 1
178 1 19 LYS HE2 1 23 LEU MD2 5.600 . 6.100 2.879 2.289 3.571 . 0 0 "[ . 1 . 2]" 1
179 1 19 LYS HE3 1 23 LEU MD2 5.600 . 6.100 4.244 3.570 4.708 . 0 0 "[ . 1 . 2]" 1
180 1 19 LYS HE3 1 23 LEU H 5.600 . 5.600 5.440 5.060 5.621 0.021 19 0 "[ . 1 . 2]" 1
181 1 19 LYS HE2 1 23 LEU H 5.600 . 5.600 4.491 4.017 4.875 . 0 0 "[ . 1 . 2]" 1
182 1 19 LYS HE3 1 90 GLN HA 5.600 . 5.600 5.156 4.674 5.613 0.013 10 0 "[ . 1 . 2]" 1
183 1 19 LYS QE 1 91 ASN HA 5.600 . 6.600 3.773 3.014 4.617 . 0 0 "[ . 1 . 2]" 1
184 1 19 LYS HE3 1 93 VAL MG1 5.600 . 6.100 4.991 4.742 5.079 . 0 0 "[ . 1 . 2]" 1
185 1 19 LYS HE2 1 93 VAL MG1 5.600 . 6.100 4.365 4.087 4.791 . 0 0 "[ . 1 . 2]" 1
186 1 19 LYS HE3 1 93 VAL MG2 5.600 . 6.100 2.830 2.580 3.038 . 0 0 "[ . 1 . 2]" 1
187 1 19 LYS HE2 1 93 VAL MG2 5.600 . 6.100 2.500 1.868 3.085 0.032 14 0 "[ . 1 . 2]" 1
188 1 19 LYS H 1 19 LYS HE3 5.600 . 5.600 4.212 2.981 5.107 . 0 0 "[ . 1 . 2]" 1
189 1 19 LYS H 1 19 LYS HE2 5.600 . 5.600 5.090 3.862 5.612 0.012 16 0 "[ . 1 . 2]" 1
190 1 19 LYS H 1 91 ASN HA 5.600 . 5.600 2.886 2.452 3.263 . 0 0 "[ . 1 . 2]" 1
191 1 19 LYS H 1 91 ASN H 5.600 . 5.600 5.314 5.048 5.552 . 0 0 "[ . 1 . 2]" 1
192 1 19 LYS H 1 92 THR MG 5.600 . 6.100 4.573 4.226 4.872 . 0 0 "[ . 1 . 2]" 1
193 1 19 LYS H 1 92 THR H 5.600 . 5.600 4.453 4.230 4.639 . 0 0 "[ . 1 . 2]" 1
194 1 19 LYS H 1 93 VAL MG2 5.600 . 6.100 3.898 3.273 4.693 . 0 0 "[ . 1 . 2]" 1
195 1 19 LYS H 1 93 VAL H 5.600 . 5.600 4.724 3.985 5.500 . 0 0 "[ . 1 . 2]" 1
196 1 20 ASP HA 1 21 PRO HA 3.700 . 3.700 2.010 1.998 2.033 . 0 0 "[ . 1 . 2]" 1
197 1 20 ASP HA 1 21 PRO HB2 5.600 . 5.600 4.747 4.724 4.782 . 0 0 "[ . 1 . 2]" 1
198 1 20 ASP HA 1 21 PRO HB3 5.600 . 5.600 4.143 4.078 4.214 . 0 0 "[ . 1 . 2]" 1
199 1 20 ASP HA 1 22 GLU H 5.600 . 5.600 4.091 3.923 4.247 . 0 0 "[ . 1 . 2]" 1
200 1 20 ASP QB 1 21 PRO HA 4.600 . 5.600 4.132 3.985 4.163 . 0 0 "[ . 1 . 2]" 1
201 1 20 ASP QB 1 22 GLU H 5.600 . 6.600 4.851 4.606 5.091 . 0 0 "[ . 1 . 2]" 1
202 1 20 ASP QB 1 55 PRO QB 5.600 . 7.600 5.025 4.742 5.213 . 0 0 "[ . 1 . 2]" 1
203 1 20 ASP H 1 21 PRO HA 4.600 . 4.600 3.833 3.486 4.120 . 0 0 "[ . 1 . 2]" 1
204 1 20 ASP H 1 21 PRO QD 5.600 . 6.600 4.089 3.941 4.307 . 0 0 "[ . 1 . 2]" 1
205 1 20 ASP H 1 22 GLU HA 5.600 . 5.600 3.847 3.589 4.290 . 0 0 "[ . 1 . 2]" 1
206 1 20 ASP H 1 22 GLU H 4.600 . 4.600 2.993 2.526 3.613 . 0 0 "[ . 1 . 2]" 1
207 1 20 ASP H 1 23 LEU HA 5.600 . 5.600 4.572 4.416 4.822 . 0 0 "[ . 1 . 2]" 1
208 1 20 ASP H 1 23 LEU H 5.600 . 5.600 5.184 4.947 5.576 . 0 0 "[ . 1 . 2]" 1
209 1 20 ASP H 1 55 PRO QB 5.600 . 6.600 4.675 4.280 5.200 . 0 0 "[ . 1 . 2]" 1
210 1 20 ASP H 1 55 PRO QG 5.600 . 6.600 5.195 4.665 5.720 . 0 0 "[ . 1 . 2]" 1
211 1 21 PRO HD2 1 22 GLU H 5.600 . 5.600 2.070 1.990 2.269 . 0 0 "[ . 1 . 2]" 1
212 1 21 PRO HD3 1 22 GLU H 5.600 . 5.600 3.470 3.418 3.550 . 0 0 "[ . 1 . 2]" 1
213 1 21 PRO HG3 1 22 GLU H 5.600 . 5.600 4.451 4.344 4.618 . 0 0 "[ . 1 . 2]" 1
214 1 21 PRO HG2 1 22 GLU H 5.600 . 5.600 3.858 3.652 4.112 . 0 0 "[ . 1 . 2]" 1
215 1 22 GLU HB3 1 23 LEU H 3.700 . 3.700 2.005 1.988 2.015 . 0 0 "[ . 1 . 2]" 1
216 1 22 GLU HB3 1 24 GLY H 4.600 . 4.600 3.322 3.173 3.536 . 0 0 "[ . 1 . 2]" 1
217 1 22 GLU HB3 2 7 VAL HA 5.600 . 5.600 5.534 5.244 5.624 0.024 7 0 "[ . 1 . 2]" 1
218 1 22 GLU HB2 1 23 LEU H 4.600 . 4.600 3.273 2.977 3.468 . 0 0 "[ . 1 . 2]" 1
219 1 22 GLU HB2 1 24 GLY HA2 5.600 . 5.600 4.326 4.034 4.649 . 0 0 "[ . 1 . 2]" 1
220 1 22 GLU H 1 52 PRO QG 5.600 . 6.600 5.586 5.346 5.849 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU HA 1 55 PRO HB3 5.600 . 5.600 4.751 4.418 5.142 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU HA 1 55 PRO HB2 5.600 . 5.600 4.075 3.756 4.426 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU HA 1 55 PRO QG 5.600 . 6.600 4.664 4.244 5.025 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU HA 2 7 VAL MG2 5.600 . 6.100 4.908 4.780 4.948 . 0 0 "[ . 1 . 2]" 1
225 1 23 LEU MD1 1 24 GLY H 5.600 . 6.100 3.763 3.632 3.923 . 0 0 "[ . 1 . 2]" 1
226 1 23 LEU MD1 1 25 PHE H 5.600 . 6.100 4.541 4.364 4.725 . 0 0 "[ . 1 . 2]" 1
227 1 23 LEU MD1 1 25 PHE HZ 5.600 . 6.100 4.354 4.103 4.591 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU MD1 1 87 LYS HA 5.600 . 6.100 3.483 3.096 3.851 . 0 0 "[ . 1 . 2]" 1
229 1 23 LEU MD1 1 93 VAL MG2 5.600 . 6.600 3.505 3.260 3.907 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU MD1 2 7 VAL HA 5.600 . 6.100 3.870 3.681 4.101 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU MD1 2 7 VAL HB 5.600 . 6.100 2.225 2.097 2.406 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU MD1 2 7 VAL MG1 5.600 . 6.600 3.571 3.379 3.740 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU MD1 2 7 VAL MG2 5.600 . 6.600 2.104 1.927 2.266 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU MD2 1 24 GLY H 5.600 . 6.100 4.631 4.498 4.740 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU MD2 1 25 PHE HZ 5.600 . 6.100 2.264 2.090 2.467 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU MD2 1 86 LEU HB3 5.600 . 6.100 3.098 2.805 3.507 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU MD2 1 86 LEU HB2 5.600 . 6.100 4.512 4.247 4.897 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU MD2 1 86 LEU HG 5.600 . 6.100 4.670 4.499 4.969 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU MD2 1 93 VAL HB 5.600 . 6.100 3.169 2.804 3.498 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU MD2 1 93 VAL MG2 5.600 . 6.600 2.514 2.142 3.094 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU MD2 2 7 VAL HB 5.600 . 6.100 3.762 3.457 4.085 . 0 0 "[ . 1 . 2]" 1
242 1 23 LEU MD2 2 7 VAL MG1 5.600 . 6.600 4.219 4.077 4.356 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU MD2 2 7 VAL MG2 5.600 . 6.600 2.452 2.263 2.703 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU HG 1 24 GLY H 5.600 . 5.600 4.702 4.631 4.763 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU HG 1 93 VAL MG2 5.600 . 6.100 3.290 2.655 3.772 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU H 1 23 LEU MD1 5.600 . 6.100 1.993 1.971 2.162 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU H 1 24 GLY HA2 5.600 . 5.600 4.921 4.814 5.017 . 0 0 "[ . 1 . 2]" 1
248 1 23 LEU H 1 24 GLY H 4.600 . 4.600 2.829 2.656 2.978 . 0 0 "[ . 1 . 2]" 1
249 1 23 LEU H 1 25 PHE H 5.600 . 5.600 4.694 4.394 4.883 . 0 0 "[ . 1 . 2]" 1
250 1 23 LEU H 2 7 VAL MG2 5.600 . 6.100 3.986 3.707 4.170 . 0 0 "[ . 1 . 2]" 1
251 1 24 GLY HA3 1 50 VAL MG1 5.600 . 6.100 3.848 3.569 4.035 . 0 0 "[ . 1 . 2]" 1
252 1 24 GLY HA3 1 55 PRO HB2 5.600 . 5.600 3.873 3.664 4.003 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLY HA3 1 55 PRO HB3 5.600 . 5.600 4.798 4.476 4.982 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLY HA3 1 55 PRO HD2 5.600 . 5.600 4.609 4.126 4.939 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLY HA3 1 55 PRO HD3 5.600 . 5.600 5.254 4.843 5.579 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLY HA3 1 55 PRO HG3 5.600 . 5.600 3.221 2.926 3.502 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLY HA3 1 55 PRO HG2 5.600 . 5.600 2.715 2.427 2.973 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLY HA3 1 56 ALA MB 5.600 . 6.100 3.911 3.470 4.330 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLY HA3 1 56 ALA H 5.600 . 5.600 3.828 3.674 4.035 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLY HA3 2 6 TRP HZ3 5.600 . 5.600 4.839 4.234 5.330 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLY HA2 1 51 GLN HB3 5.600 . 5.600 5.268 4.942 5.612 0.012 8 0 "[ . 1 . 2]" 1
262 1 24 GLY HA2 1 51 GLN HB2 5.600 . 5.600 4.070 3.711 4.538 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLY HA2 1 51 GLN H 5.600 . 5.600 4.393 4.078 4.705 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLY HA2 1 55 PRO HB2 5.600 . 5.600 5.522 5.368 5.616 0.016 18 0 "[ . 1 . 2]" 1
265 1 24 GLY HA2 1 55 PRO QD 5.600 . 6.600 5.522 4.978 5.849 . 0 0 "[ . 1 . 2]" 1
266 1 24 GLY HA2 1 55 PRO HG3 5.600 . 5.600 4.520 4.199 4.805 . 0 0 "[ . 1 . 2]" 1
267 1 24 GLY HA2 1 55 PRO HG2 5.600 . 5.600 4.355 4.034 4.604 . 0 0 "[ . 1 . 2]" 1
268 1 24 GLY HA2 2 6 TRP HE3 5.600 . 5.600 4.010 3.605 4.503 . 0 0 "[ . 1 . 2]" 1
269 1 24 GLY HA2 2 6 TRP HZ3 5.600 . 5.600 4.001 3.339 4.566 . 0 0 "[ . 1 . 2]" 1
270 1 24 GLY H 1 25 PHE H 3.700 . 3.700 2.184 2.059 2.299 . 0 0 "[ . 1 . 2]" 1
271 1 24 GLY H 1 52 PRO HG3 5.600 . 5.600 5.107 4.916 5.263 . 0 0 "[ . 1 . 2]" 1
272 1 24 GLY H 1 52 PRO HG2 5.600 . 5.600 5.481 5.214 5.618 0.018 19 0 "[ . 1 . 2]" 1
273 1 24 GLY H 2 7 VAL MG2 5.600 . 6.100 3.638 3.517 3.893 . 0 0 "[ . 1 . 2]" 1
274 1 25 PHE HA 1 47 VAL MG1 5.600 . 6.100 3.991 3.614 4.327 . 0 0 "[ . 1 . 2]" 1
275 1 25 PHE HA 1 49 ARG QG 5.600 . 6.600 4.867 4.567 5.170 . 0 0 "[ . 1 . 2]" 1
276 1 25 PHE HA 1 49 ARG H 5.600 . 5.600 5.137 4.853 5.416 . 0 0 "[ . 1 . 2]" 1
277 1 25 PHE HA 1 50 VAL HA 3.700 . 3.700 2.603 2.399 2.725 . 0 0 "[ . 1 . 2]" 1
278 1 25 PHE HA 1 50 VAL HB 5.600 . 5.600 5.407 5.069 5.587 . 0 0 "[ . 1 . 2]" 1
279 1 25 PHE HA 1 50 VAL MG1 5.600 . 6.100 3.322 2.944 3.534 . 0 0 "[ . 1 . 2]" 1
280 1 25 PHE HA 1 50 VAL MG2 5.600 . 6.100 3.678 3.516 3.808 . 0 0 "[ . 1 . 2]" 1
281 1 25 PHE HA 1 50 VAL H 5.600 . 5.600 5.332 5.130 5.515 . 0 0 "[ . 1 . 2]" 1
282 1 25 PHE HA 1 51 GLN HB2 5.600 . 5.600 4.611 4.406 4.770 . 0 0 "[ . 1 . 2]" 1
283 1 25 PHE HA 1 51 GLN H 4.600 . 4.600 3.487 3.188 3.687 . 0 0 "[ . 1 . 2]" 1
284 1 25 PHE HA 2 6 TRP HE3 4.600 . 4.600 3.144 2.814 3.582 . 0 0 "[ . 1 . 2]" 1
285 1 25 PHE HA 2 6 TRP HH2 5.600 . 5.600 3.840 3.494 4.162 . 0 0 "[ . 1 . 2]" 1
286 1 25 PHE HA 2 6 TRP HZ3 3.100 . 3.100 2.081 2.004 2.237 . 0 0 "[ . 1 . 2]" 1
287 1 25 PHE HB3 1 47 VAL MG1 5.600 . 6.100 3.316 3.086 3.549 . 0 0 "[ . 1 . 2]" 1
288 1 25 PHE HB3 1 50 VAL HA 4.600 . 4.600 3.548 3.267 3.910 . 0 0 "[ . 1 . 2]" 1
289 1 25 PHE HB3 1 50 VAL MG1 5.600 . 6.100 2.653 2.402 2.836 . 0 0 "[ . 1 . 2]" 1
290 1 25 PHE HB3 1 50 VAL MG2 5.600 . 6.100 2.825 2.528 3.112 . 0 0 "[ . 1 . 2]" 1
291 1 25 PHE HB3 1 56 ALA MB 4.600 . 5.100 2.779 2.383 3.295 . 0 0 "[ . 1 . 2]" 1
292 1 25 PHE HB3 1 60 LEU MD1 5.600 . 6.100 3.820 3.531 4.230 . 0 0 "[ . 1 . 2]" 1
293 1 25 PHE HB3 2 6 TRP HZ3 5.600 . 5.600 4.269 4.063 4.545 . 0 0 "[ . 1 . 2]" 1
294 1 25 PHE HB2 1 26 SER H 4.600 . 4.600 2.717 2.114 3.005 . 0 0 "[ . 1 . 2]" 1
295 1 25 PHE HB2 1 27 ILE MG 5.600 . 6.100 4.671 4.527 4.865 . 0 0 "[ . 1 . 2]" 1
296 1 25 PHE HB2 1 47 VAL MG1 5.600 . 6.100 2.166 1.913 2.412 . 0 0 "[ . 1 . 2]" 1
297 1 25 PHE HB2 1 49 ARG H 5.600 . 5.600 4.686 4.366 5.157 . 0 0 "[ . 1 . 2]" 1
298 1 25 PHE HB2 1 50 VAL HA 5.600 . 5.600 3.627 3.394 3.781 . 0 0 "[ . 1 . 2]" 1
299 1 25 PHE HB2 1 50 VAL MG1 5.600 . 6.100 3.726 3.420 3.964 . 0 0 "[ . 1 . 2]" 1
300 1 25 PHE HB2 1 50 VAL MG2 5.600 . 6.100 2.915 2.709 3.115 . 0 0 "[ . 1 . 2]" 1
301 1 25 PHE HB2 1 51 GLN H 5.600 . 5.600 5.284 5.123 5.446 . 0 0 "[ . 1 . 2]" 1
302 1 25 PHE HB2 1 56 ALA MB 5.600 . 6.100 4.013 3.573 4.535 . 0 0 "[ . 1 . 2]" 1
303 1 25 PHE HB2 1 60 LEU MD1 5.600 . 6.100 4.110 3.910 4.583 . 0 0 "[ . 1 . 2]" 1
304 1 25 PHE HB2 2 6 TRP HZ3 5.600 . 5.600 4.434 4.289 4.632 . 0 0 "[ . 1 . 2]" 1
305 1 25 PHE H 1 50 VAL HA 5.600 . 5.600 5.234 5.032 5.433 . 0 0 "[ . 1 . 2]" 1
306 1 25 PHE H 1 51 GLN QB 5.600 . 6.600 5.395 5.126 5.553 . 0 0 "[ . 1 . 2]" 1
307 1 25 PHE H 2 6 TRP HE3 4.600 . 4.600 3.150 2.747 3.388 . 0 0 "[ . 1 . 2]" 1
308 1 25 PHE H 2 6 TRP HZ3 5.600 . 5.600 3.790 3.322 4.140 . 0 0 "[ . 1 . 2]" 1
309 1 25 PHE H 2 7 VAL MG2 5.600 . 6.100 3.176 2.977 3.552 . 0 0 "[ . 1 . 2]" 1
310 1 25 PHE H 2 7 VAL H 5.600 . 5.600 4.072 3.707 4.459 . 0 0 "[ . 1 . 2]" 1
311 1 25 PHE HZ 1 47 VAL MG2 5.600 . 6.100 4.698 4.148 4.984 . 0 0 "[ . 1 . 2]" 1
312 1 25 PHE HZ 1 60 LEU MD1 5.600 . 6.100 3.764 3.292 4.534 . 0 0 "[ . 1 . 2]" 1
313 1 25 PHE HZ 1 86 LEU MD1 5.600 . 6.100 3.055 2.664 3.491 . 0 0 "[ . 1 . 2]" 1
314 1 25 PHE HZ 1 86 LEU MD2 5.600 . 6.100 2.991 2.685 3.354 . 0 0 "[ . 1 . 2]" 1
315 1 25 PHE HZ 1 95 LEU MD1 5.600 . 6.100 2.950 2.184 4.013 . 0 0 "[ . 1 . 2]" 1
316 1 25 PHE HZ 1 95 LEU MD2 5.600 . 6.100 3.106 2.348 4.014 . 0 0 "[ . 1 . 2]" 1
317 1 25 PHE HZ 2 7 VAL MG2 5.600 . 6.100 3.341 3.085 3.700 . 0 0 "[ . 1 . 2]" 1
318 1 26 SER HA 1 27 ILE MG 5.600 . 6.100 3.557 3.418 3.657 . 0 0 "[ . 1 . 2]" 1
319 1 26 SER HA 2 5 THR H 5.600 . 5.600 4.345 3.915 4.745 . 0 0 "[ . 1 . 2]" 1
320 1 26 SER HA 2 6 TRP HA 3.100 . 3.100 2.056 2.005 2.220 . 0 0 "[ . 1 . 2]" 1
321 1 26 SER HA 2 6 TRP HB2 5.600 . 5.600 5.033 4.960 5.177 . 0 0 "[ . 1 . 2]" 1
322 1 26 SER HA 2 6 TRP HB3 5.600 . 5.600 4.419 4.285 4.566 . 0 0 "[ . 1 . 2]" 1
323 1 26 SER HA 2 6 TRP HE3 5.600 . 5.600 3.947 3.698 4.194 . 0 0 "[ . 1 . 2]" 1
324 1 26 SER HA 2 7 VAL MG2 5.600 . 6.100 3.136 2.987 3.321 . 0 0 "[ . 1 . 2]" 1
325 1 26 SER HB3 1 27 ILE H 4.600 . 4.600 3.688 3.563 3.812 . 0 0 "[ . 1 . 2]" 1
326 1 26 SER HB2 1 27 ILE H 4.600 . 4.600 2.748 2.488 2.923 . 0 0 "[ . 1 . 2]" 1
327 1 26 SER QB 1 49 ARG H 5.600 . 6.600 4.315 3.862 4.707 . 0 0 "[ . 1 . 2]" 1
328 1 26 SER QB 2 5 THR H 4.600 . 5.600 2.872 2.534 3.451 . 0 0 "[ . 1 . 2]" 1
329 1 26 SER HB3 1 48 THR MG 5.600 . 6.100 3.698 3.553 3.875 . 0 0 "[ . 1 . 2]" 1
330 1 26 SER HB3 2 4 GLU HG3 5.600 . 5.600 4.392 3.057 5.431 . 0 0 "[ . 1 . 2]" 1
331 1 26 SER HB3 2 6 TRP HA 3.700 . 3.700 2.350 2.101 2.721 . 0 0 "[ . 1 . 2]" 1
332 1 26 SER HB3 2 6 TRP HD1 5.600 . 5.600 3.692 3.383 4.064 . 0 0 "[ . 1 . 2]" 1
333 1 26 SER HB2 1 48 THR HB 5.600 . 5.600 5.162 4.931 5.417 . 0 0 "[ . 1 . 2]" 1
334 1 26 SER HB2 2 4 GLU HA 5.600 . 5.600 4.119 3.576 4.556 . 0 0 "[ . 1 . 2]" 1
335 1 26 SER HB2 2 4 GLU HG2 5.600 . 5.600 4.824 2.739 5.527 . 0 0 "[ . 1 . 2]" 1
336 1 26 SER HB2 2 4 GLU HG3 5.600 . 5.600 3.971 2.684 4.847 . 0 0 "[ . 1 . 2]" 1
337 1 26 SER HB2 2 6 TRP HA 4.600 . 4.600 3.482 3.290 3.678 . 0 0 "[ . 1 . 2]" 1
338 1 26 SER HB2 2 6 TRP HE3 5.600 . 5.600 5.249 4.967 5.595 . 0 0 "[ . 1 . 2]" 1
339 1 26 SER HG 1 27 ILE H 5.600 . 5.600 4.598 4.255 4.848 . 0 0 "[ . 1 . 2]" 1
340 1 26 SER HG 1 48 THR HB 4.600 . 4.600 4.598 4.535 4.638 0.038 12 0 "[ . 1 . 2]" 1
341 1 26 SER HG 1 48 THR H 5.600 . 5.600 4.691 4.006 5.142 . 0 0 "[ . 1 . 2]" 1
342 1 26 SER HG 1 49 ARG QD 5.600 . 6.600 4.216 3.060 5.191 . 0 0 "[ . 1 . 2]" 1
343 1 26 SER HG 1 49 ARG HE 5.600 . 5.600 4.845 4.022 5.583 . 0 0 "[ . 1 . 2]" 1
344 1 26 SER HG 1 49 ARG HG2 5.600 . 5.600 3.052 2.337 3.732 . 0 0 "[ . 1 . 2]" 1
345 1 26 SER HG 1 49 ARG HG3 5.600 . 5.600 3.219 2.479 3.947 . 0 0 "[ . 1 . 2]" 1
346 1 26 SER HG 1 49 ARG H 4.600 . 4.600 2.982 2.254 3.758 . 0 0 "[ . 1 . 2]" 1
347 1 26 SER H 1 47 VAL MG1 5.600 . 6.100 3.316 2.968 3.588 . 0 0 "[ . 1 . 2]" 1
348 1 26 SER H 1 48 THR H 5.600 . 5.600 5.331 5.058 5.519 . 0 0 "[ . 1 . 2]" 1
349 1 26 SER H 1 49 ARG HG3 5.600 . 5.600 4.251 3.813 4.925 . 0 0 "[ . 1 . 2]" 1
350 1 26 SER H 1 49 ARG HG2 5.600 . 5.600 4.875 3.964 5.365 . 0 0 "[ . 1 . 2]" 1
351 1 26 SER H 1 49 ARG H 4.600 . 4.600 3.496 3.239 3.697 . 0 0 "[ . 1 . 2]" 1
352 1 26 SER H 1 50 VAL HA 4.600 . 4.600 3.751 3.304 3.956 . 0 0 "[ . 1 . 2]" 1
353 1 26 SER H 1 50 VAL MG2 5.600 . 6.100 4.373 4.045 4.630 . 0 0 "[ . 1 . 2]" 1
354 1 26 SER H 1 51 GLN H 5.600 . 5.600 5.262 4.855 5.588 . 0 0 "[ . 1 . 2]" 1
355 1 26 SER H 2 6 TRP HA 5.600 . 5.600 4.229 3.945 4.549 . 0 0 "[ . 1 . 2]" 1
356 1 26 SER H 2 6 TRP HE3 5.600 . 5.600 3.790 3.223 4.259 . 0 0 "[ . 1 . 2]" 1
357 1 26 SER H 2 6 TRP HZ3 5.600 . 5.600 3.475 2.928 4.061 . 0 0 "[ . 1 . 2]" 1
358 1 27 ILE HA 1 45 ILE MG 5.600 . 6.100 3.475 3.267 3.674 . 0 0 "[ . 1 . 2]" 1
359 1 27 ILE HA 1 46 PHE H 5.600 . 5.600 4.240 4.051 4.397 . 0 0 "[ . 1 . 2]" 1
360 1 27 ILE HA 1 47 VAL HA 4.600 . 4.600 2.733 2.494 2.988 . 0 0 "[ . 1 . 2]" 1
361 1 27 ILE HA 1 47 VAL MG1 5.600 . 6.100 4.095 3.814 4.427 . 0 0 "[ . 1 . 2]" 1
362 1 27 ILE HA 1 47 VAL MG2 5.600 . 6.100 3.980 3.790 4.295 . 0 0 "[ . 1 . 2]" 1
363 1 27 ILE HA 1 48 THR HB 5.600 . 5.600 4.995 4.669 5.318 . 0 0 "[ . 1 . 2]" 1
364 1 27 ILE HA 1 48 THR MG 5.600 . 6.100 3.597 3.264 3.777 . 0 0 "[ . 1 . 2]" 1
365 1 27 ILE HA 1 48 THR H 5.600 . 5.600 3.344 3.083 3.607 . 0 0 "[ . 1 . 2]" 1
366 1 27 ILE HA 1 66 ILE MD 5.600 . 6.100 4.369 3.885 4.987 . 0 0 "[ . 1 . 2]" 1
367 1 27 ILE HB 1 28 SER H 4.600 . 4.600 2.722 2.617 2.867 . 0 0 "[ . 1 . 2]" 1
368 1 27 ILE HB 1 45 ILE MD 5.600 . 6.100 3.921 3.657 4.298 . 0 0 "[ . 1 . 2]" 1
369 1 27 ILE HB 1 45 ILE MG 4.600 . 5.100 2.086 1.956 2.209 . 0 0 "[ . 1 . 2]" 1
370 1 27 ILE HB 1 46 PHE H 5.600 . 5.600 4.096 3.935 4.273 . 0 0 "[ . 1 . 2]" 1
371 1 27 ILE HB 1 47 VAL HA 5.600 . 5.600 4.727 4.463 4.964 . 0 0 "[ . 1 . 2]" 1
372 1 27 ILE HB 1 66 ILE MD 5.600 . 6.100 3.854 3.329 4.994 . 0 0 "[ . 1 . 2]" 1
373 1 27 ILE HB 1 86 LEU MD1 5.600 . 6.100 4.242 4.057 4.378 . 0 0 "[ . 1 . 2]" 1
374 1 27 ILE MD 1 28 SER H 5.600 . 6.100 4.429 4.298 4.608 . 0 0 "[ . 1 . 2]" 1
375 1 27 ILE MD 1 45 ILE HB 5.600 . 6.100 4.915 4.695 4.967 . 0 0 "[ . 1 . 2]" 1
376 1 27 ILE MD 1 45 ILE MG 5.600 . 6.600 2.589 2.367 2.725 . 0 0 "[ . 1 . 2]" 1
377 1 27 ILE MD 1 79 HIS HA 5.600 . 6.100 4.294 3.962 4.650 . 0 0 "[ . 1 . 2]" 1
378 1 27 ILE MD 1 79 HIS HD2 5.600 . 6.100 4.136 2.677 4.960 . 0 0 "[ . 1 . 2]" 1
379 1 27 ILE MD 1 79 HIS HE1 5.600 . 6.100 4.351 3.080 4.999 . 0 0 "[ . 1 . 2]" 1
380 1 27 ILE MD 1 82 ALA HA 5.600 . 6.100 4.301 4.062 4.651 . 0 0 "[ . 1 . 2]" 1
381 1 27 ILE MD 1 82 ALA MB 5.600 . 6.600 2.343 2.057 2.660 . 0 0 "[ . 1 . 2]" 1
382 1 27 ILE MD 1 83 VAL HA 5.600 . 6.100 2.406 2.112 2.730 . 0 0 "[ . 1 . 2]" 1
383 1 27 ILE MD 1 83 VAL HB 5.600 . 6.100 4.139 3.964 4.348 . 0 0 "[ . 1 . 2]" 1
384 1 27 ILE MD 1 83 VAL MG2 5.600 . 6.600 1.944 1.847 2.098 0.053 1 0 "[ . 1 . 2]" 1
385 1 27 ILE MD 1 83 VAL H 5.600 . 6.100 3.221 2.946 3.457 . 0 0 "[ . 1 . 2]" 1
386 1 27 ILE MD 1 86 LEU HB3 5.600 . 6.100 4.703 4.457 4.951 . 0 0 "[ . 1 . 2]" 1
387 1 27 ILE MD 1 86 LEU HB2 5.600 . 6.100 3.768 3.566 4.005 . 0 0 "[ . 1 . 2]" 1
388 1 27 ILE MD 1 86 LEU MD1 5.600 . 6.600 2.266 1.997 2.483 . 0 0 "[ . 1 . 2]" 1
389 1 27 ILE MD 1 86 LEU HG 5.600 . 6.100 4.160 3.812 4.528 . 0 0 "[ . 1 . 2]" 1
390 1 27 ILE MD 2 5 THR HB 5.600 . 6.100 3.841 3.530 4.027 . 0 0 "[ . 1 . 2]" 1
391 1 27 ILE MD 2 5 THR MG 5.600 . 6.600 4.261 3.935 4.423 . 0 0 "[ . 1 . 2]" 1
392 1 27 ILE MD 2 7 VAL MG1 5.600 . 6.600 2.443 2.057 2.766 . 0 0 "[ . 1 . 2]" 1
393 1 27 ILE MD 2 7 VAL MG2 5.600 . 6.600 3.796 3.456 3.995 . 0 0 "[ . 1 . 2]" 1
394 1 27 ILE QG 1 28 SER HA 5.600 . 6.600 3.864 3.777 4.018 . 0 0 "[ . 1 . 2]" 1
395 1 27 ILE QG 1 28 SER H 5.600 . 6.600 3.877 3.758 4.011 . 0 0 "[ . 1 . 2]" 1
396 1 27 ILE QG 1 45 ILE MD 5.600 . 7.100 4.663 4.526 4.982 . 0 0 "[ . 1 . 2]" 1
397 1 27 ILE QG 1 79 HIS HE1 3.700 . 4.700 3.616 2.550 3.912 . 0 0 "[ . 1 . 2]" 1
398 1 27 ILE QG 1 82 ALA MB 5.600 . 7.100 4.138 3.798 4.473 . 0 0 "[ . 1 . 2]" 1
399 1 27 ILE QG 1 83 VAL HA 5.600 . 6.600 4.045 3.870 4.277 . 0 0 "[ . 1 . 2]" 1
400 1 27 ILE QG 2 5 THR HB 3.700 . 4.700 2.841 2.493 3.057 . 0 0 "[ . 1 . 2]" 1
401 1 27 ILE QG 2 5 THR MG 5.600 . 7.100 3.892 3.549 4.112 . 0 0 "[ . 1 . 2]" 1
402 1 27 ILE QG 2 5 THR H 5.600 . 6.600 3.619 3.228 3.965 . 0 0 "[ . 1 . 2]" 1
403 1 27 ILE QG 2 7 VAL MG1 5.600 . 7.100 2.278 2.112 2.546 . 0 0 "[ . 1 . 2]" 1
404 1 27 ILE QG 2 7 VAL MG2 5.600 . 7.100 3.271 2.985 3.636 . 0 0 "[ . 1 . 2]" 1
405 1 27 ILE MG 1 47 VAL HA 4.600 . 5.100 3.222 2.994 3.398 . 0 0 "[ . 1 . 2]" 1
406 1 27 ILE MG 1 47 VAL MG1 5.600 . 6.600 3.510 3.169 3.765 . 0 0 "[ . 1 . 2]" 1
407 1 27 ILE MG 1 47 VAL MG2 5.600 . 6.600 2.802 2.509 3.171 . 0 0 "[ . 1 . 2]" 1
408 1 27 ILE MG 1 48 THR H 5.600 . 6.100 4.747 4.486 4.946 . 0 0 "[ . 1 . 2]" 1
409 1 27 ILE MG 1 66 ILE HB 5.600 . 6.100 4.873 4.579 4.981 . 0 0 "[ . 1 . 2]" 1
410 1 27 ILE MG 1 86 LEU HG 5.600 . 6.100 4.733 4.487 4.893 . 0 0 "[ . 1 . 2]" 1
411 1 27 ILE MG 2 7 VAL HB 5.600 . 6.100 4.954 4.929 4.991 . 0 0 "[ . 1 . 2]" 1
412 1 27 ILE MG 2 7 VAL QG 5.600 . 8.600 2.578 2.537 2.617 . 0 0 "[ . 1 . 2]" 1
413 1 27 ILE MG 2 7 VAL MG1 5.600 . 6.600 3.067 2.981 3.145 . 0 0 "[ . 1 . 2]" 1
414 1 27 ILE H 1 27 ILE MD 5.600 . 6.100 3.884 3.830 3.957 . 0 0 "[ . 1 . 2]" 1
415 1 27 ILE H 1 83 VAL MG2 5.600 . 6.100 4.723 4.517 4.940 . 0 0 "[ . 1 . 2]" 1
416 1 27 ILE H 2 4 GLU HA 5.600 . 5.600 4.792 4.328 5.248 . 0 0 "[ . 1 . 2]" 1
417 1 27 ILE H 2 5 THR HB 5.600 . 5.600 3.541 3.159 3.950 . 0 0 "[ . 1 . 2]" 1
418 1 27 ILE H 2 5 THR MG 5.600 . 6.100 4.573 4.273 4.885 . 0 0 "[ . 1 . 2]" 1
419 1 27 ILE H 2 5 THR H 4.600 . 4.600 2.975 2.615 3.342 . 0 0 "[ . 1 . 2]" 1
420 1 27 ILE H 2 6 TRP HA 4.600 . 4.600 3.711 3.584 3.848 . 0 0 "[ . 1 . 2]" 1
421 1 27 ILE H 2 7 VAL MG1 5.600 . 6.100 3.556 3.372 3.697 . 0 0 "[ . 1 . 2]" 1
422 1 27 ILE H 2 7 VAL MG2 5.600 . 6.100 3.888 3.719 4.116 . 0 0 "[ . 1 . 2]" 1
423 1 28 SER HA 1 29 GLY QA 5.600 . 6.600 4.052 3.976 4.163 . 0 0 "[ . 1 . 2]" 1
424 1 28 SER HA 1 79 HIS HE1 3.100 . 3.100 2.374 2.012 3.098 . 0 0 "[ . 1 . 2]" 1
425 1 28 SER HA 2 3 TRP HE3 5.600 . 5.600 4.342 3.950 5.153 . 0 0 "[ . 1 . 2]" 1
426 1 28 SER HA 2 4 GLU HA 3.700 . 3.700 3.540 2.767 3.763 0.063 12 0 "[ . 1 . 2]" 1
427 1 28 SER HA 2 5 THR H 5.600 . 5.600 4.128 3.709 4.420 . 0 0 "[ . 1 . 2]" 1
428 1 28 SER HB3 1 36 ASN HA 5.600 . 5.600 4.093 2.936 5.024 . 0 0 "[ . 1 . 2]" 1
429 1 28 SER HB2 1 36 ASN HA 5.600 . 5.600 3.856 2.640 4.941 . 0 0 "[ . 1 . 2]" 1
430 1 28 SER QB 1 36 ASN HB2 5.600 . 6.600 3.929 2.777 5.620 . 0 0 "[ . 1 . 2]" 1
431 1 28 SER QB 1 36 ASN HB3 5.600 . 6.600 3.344 1.973 4.823 . 0 0 "[ . 1 . 2]" 1
432 1 28 SER QB 1 37 PRO QD 5.600 . 7.600 3.477 2.853 4.161 . 0 0 "[ . 1 . 2]" 1
433 1 28 SER QB 1 46 PHE H 5.600 . 6.600 4.104 3.648 4.692 . 0 0 "[ . 1 . 2]" 1
434 1 28 SER QB 1 48 THR HB 5.600 . 6.600 3.274 2.819 3.974 . 0 0 "[ . 1 . 2]" 1
435 1 28 SER HB3 1 48 THR MG 5.600 . 6.100 3.960 3.102 4.967 . 0 0 "[ . 1 . 2]" 1
436 1 28 SER HB2 1 48 THR MG 5.600 . 6.100 4.120 2.939 4.959 . 0 0 "[ . 1 . 2]" 1
437 1 28 SER HB3 1 79 HIS HE1 5.600 . 5.600 4.626 3.954 5.602 0.002 6 0 "[ . 1 . 2]" 1
438 1 28 SER HB2 1 79 HIS HE1 5.600 . 5.600 4.626 3.991 5.562 . 0 0 "[ . 1 . 2]" 1
439 1 28 SER HB2 2 3 TRP HE3 5.600 . 5.600 3.048 2.268 3.994 . 0 0 "[ . 1 . 2]" 1
440 1 28 SER HB3 2 3 TRP HE3 5.600 . 5.600 3.032 2.220 3.755 . 0 0 "[ . 1 . 2]" 1
441 1 28 SER HB3 2 3 TRP HZ3 5.600 . 5.600 3.103 2.050 4.234 . 0 0 "[ . 1 . 2]" 1
442 1 28 SER HB2 2 3 TRP HZ3 5.600 . 5.600 3.159 2.526 3.904 . 0 0 "[ . 1 . 2]" 1
443 1 28 SER HB2 2 4 GLU HA 4.600 . 4.600 3.714 2.384 4.557 . 0 0 "[ . 1 . 2]" 1
444 1 28 SER HB3 2 4 GLU HA 4.600 . 4.600 3.571 2.416 4.534 . 0 0 "[ . 1 . 2]" 1
445 1 28 SER H 1 45 ILE HA 4.600 . 4.600 3.915 3.702 4.183 . 0 0 "[ . 1 . 2]" 1
446 1 28 SER H 1 45 ILE QG 5.600 . 6.600 5.754 5.538 5.895 . 0 0 "[ . 1 . 2]" 1
447 1 28 SER H 1 46 PHE HB3 5.600 . 5.600 5.273 5.047 5.444 . 0 0 "[ . 1 . 2]" 1
448 1 28 SER H 1 46 PHE HB2 5.600 . 5.600 4.033 3.860 4.180 . 0 0 "[ . 1 . 2]" 1
449 1 28 SER H 1 46 PHE H 4.600 . 4.600 2.563 2.449 2.728 . 0 0 "[ . 1 . 2]" 1
450 1 28 SER H 1 48 THR H 5.600 . 5.600 3.820 3.451 4.203 . 0 0 "[ . 1 . 2]" 1
451 1 28 SER H 1 79 HIS HE1 5.600 . 5.600 4.871 4.011 5.600 0.000 11 0 "[ . 1 . 2]" 1
452 1 29 GLY QA 1 35 GLY QA 5.600 . 7.600 3.008 2.068 4.066 . 0 0 "[ . 1 . 2]" 1
453 1 29 GLY HA3 1 35 GLY H 5.600 . 5.600 5.105 4.286 5.670 0.070 19 0 "[ . 1 . 2]" 1
454 1 29 GLY HA2 1 35 GLY H 5.600 . 5.600 3.593 2.673 4.463 . 0 0 "[ . 1 . 2]" 1
455 1 29 GLY HA2 1 36 ASN HB2 5.600 . 5.600 4.191 3.768 4.923 . 0 0 "[ . 1 . 2]" 1
456 1 29 GLY HA2 1 36 ASN HB3 5.600 . 5.600 2.904 2.028 5.500 . 0 0 "[ . 1 . 2]" 1
457 1 29 GLY HA3 1 36 ASN HB2 5.600 . 5.600 4.483 3.840 5.246 . 0 0 "[ . 1 . 2]" 1
458 1 29 GLY HA3 1 36 ASN HB3 5.600 . 5.600 3.285 2.226 5.459 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLY HA3 1 45 ILE HA 5.600 . 5.600 3.035 2.695 3.478 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLY HA2 1 45 ILE HA 5.600 . 5.600 4.728 3.809 5.170 . 0 0 "[ . 1 . 2]" 1
461 1 29 GLY HA3 1 45 ILE MD 5.600 . 6.100 3.249 2.192 3.920 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLY HA2 1 45 ILE MD 5.600 . 6.100 4.461 3.735 4.810 . 0 0 "[ . 1 . 2]" 1
463 1 29 GLY HA3 1 46 PHE H 5.600 . 5.600 3.865 3.699 4.034 . 0 0 "[ . 1 . 2]" 1
464 1 29 GLY HA2 1 46 PHE H 5.600 . 5.600 5.299 4.548 5.526 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLY H 1 36 ASN HA 5.600 . 5.600 4.123 3.338 4.678 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLY H 1 45 ILE HA 5.600 . 5.600 5.043 4.852 5.295 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLY H 1 79 HIS HE1 4.600 . 4.600 3.661 3.112 4.544 . 0 0 "[ . 1 . 2]" 1
468 1 29 GLY H 2 4 GLU HA 5.600 . 5.600 5.178 4.504 5.571 . 0 0 "[ . 1 . 2]" 1
469 1 30 GLY QA 1 31 VAL HA 5.600 . 6.600 3.989 3.972 4.062 . 0 0 "[ . 1 . 2]" 1
470 1 30 GLY HA2 1 31 VAL MG2 5.600 . 6.100 3.406 3.102 3.682 . 0 0 "[ . 1 . 2]" 1
471 1 30 GLY HA3 1 31 VAL MG2 5.600 . 6.100 4.324 3.729 4.801 . 0 0 "[ . 1 . 2]" 1
472 1 30 GLY QA 1 33 GLY HA3 5.600 . 6.600 3.858 3.587 5.120 . 0 0 "[ . 1 . 2]" 1
473 1 30 GLY HA3 1 34 ARG H 5.600 . 5.600 5.357 3.923 5.624 0.024 6 0 "[ . 1 . 2]" 1
474 1 30 GLY QA 1 45 ILE HA 5.600 . 6.600 4.576 4.123 5.963 . 0 0 "[ . 1 . 2]" 1
475 1 30 GLY HA2 1 45 ILE MD 5.600 . 6.100 2.368 2.007 3.801 . 0 0 "[ . 1 . 2]" 1
476 1 30 GLY HA3 1 45 ILE MD 5.600 . 6.100 3.125 2.648 4.565 . 0 0 "[ . 1 . 2]" 1
477 1 30 GLY QA 1 45 ILE QG 5.600 . 7.600 3.941 3.595 5.508 . 0 0 "[ . 1 . 2]" 1
478 1 30 GLY HA2 1 78 GLU HA 5.600 . 5.600 4.172 2.727 4.517 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLY HA3 1 78 GLU HA 5.600 . 5.600 3.870 3.457 4.242 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLY HA3 1 79 HIS HA 5.600 . 5.600 3.111 2.562 3.789 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLY HA2 1 79 HIS HA 5.600 . 5.600 3.911 3.078 4.421 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLY HA2 1 79 HIS QB 5.600 . 6.600 4.309 2.878 4.868 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLY HA3 1 79 HIS QB 5.600 . 6.600 2.805 1.993 3.372 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLY HA3 1 79 HIS H 5.600 . 5.600 3.000 2.538 3.394 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLY HA2 1 79 HIS H 5.600 . 5.600 4.076 2.026 4.693 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLY QA 1 82 ALA MB 5.600 . 7.100 4.265 3.938 4.623 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLY H 1 45 ILE HA 4.600 . 4.600 3.670 2.928 4.683 0.083 19 0 "[ . 1 . 2]" 1
488 1 30 GLY H 1 45 ILE MD 5.600 . 6.100 2.585 1.900 3.560 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLY H 1 45 ILE QG 5.600 . 6.600 4.447 3.805 5.780 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLY H 1 45 ILE MG 5.600 . 6.100 4.642 3.851 4.951 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLY H 1 79 HIS HA 5.600 . 5.600 5.182 3.353 5.648 0.048 17 0 "[ . 1 . 2]" 1
492 1 31 VAL HA 1 43 ASP HB3 4.600 . 4.600 3.972 3.326 4.454 . 0 0 "[ . 1 . 2]" 1
493 1 31 VAL HA 1 43 ASP HB2 4.600 . 4.600 2.678 2.024 3.024 . 0 0 "[ . 1 . 2]" 1
494 1 31 VAL HB 1 43 ASP HB2 5.600 . 5.600 5.274 4.537 5.674 0.074 15 0 "[ . 1 . 2]" 1
495 1 31 VAL HB 1 76 ASN HA 5.600 . 5.600 4.587 4.088 5.153 . 0 0 "[ . 1 . 2]" 1
496 1 31 VAL HB 1 78 GLU HA 3.700 . 3.700 3.267 2.585 3.690 . 0 0 "[ . 1 . 2]" 1
497 1 31 VAL HB 1 78 GLU H 5.600 . 5.600 4.446 3.950 4.987 . 0 0 "[ . 1 . 2]" 1
498 1 31 VAL MG1 1 32 GLY QA 5.600 . 7.100 3.466 3.313 3.796 . 0 0 "[ . 1 . 2]" 1
499 1 31 VAL MG1 1 32 GLY H 5.600 . 6.100 3.375 3.035 3.975 . 0 0 "[ . 1 . 2]" 1
500 1 31 VAL MG1 1 43 ASP HB3 5.600 . 6.100 4.458 3.453 4.862 . 0 0 "[ . 1 . 2]" 1
501 1 31 VAL MG1 1 43 ASP HB2 5.600 . 6.100 3.803 3.059 4.256 . 0 0 "[ . 1 . 2]" 1
502 1 31 VAL MG1 1 76 ASN HA 5.600 . 6.100 4.028 3.411 4.785 . 0 0 "[ . 1 . 2]" 1
503 1 31 VAL MG1 1 76 ASN HB3 5.600 . 6.100 4.367 3.467 4.980 . 0 0 "[ . 1 . 2]" 1
504 1 31 VAL MG1 1 77 ILE H 5.600 . 6.100 4.887 4.469 5.182 . 0 0 "[ . 1 . 2]" 1
505 1 31 VAL MG1 1 78 GLU HA 5.600 . 6.100 4.644 4.018 5.128 . 0 0 "[ . 1 . 2]" 1
506 1 31 VAL MG2 1 32 GLY H 5.600 . 6.100 4.293 4.197 4.347 . 0 0 "[ . 1 . 2]" 1
507 1 31 VAL MG2 1 43 ASP HB3 5.600 . 6.100 4.249 3.343 4.866 . 0 0 "[ . 1 . 2]" 1
508 1 31 VAL MG2 1 43 ASP HB2 5.600 . 6.100 3.066 1.977 3.611 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL MG2 1 76 ASN HA 5.600 . 6.100 2.134 1.907 2.540 . 0 0 "[ . 1 . 2]" 1
510 1 31 VAL MG2 1 77 ILE H 5.600 . 6.100 2.391 1.921 3.103 . 0 0 "[ . 1 . 2]" 1
511 1 31 VAL H 1 33 GLY HA3 5.600 . 5.600 5.165 4.100 5.619 0.019 11 0 "[ . 1 . 2]" 1
512 1 31 VAL H 1 43 ASP HB2 5.600 . 5.600 4.509 3.885 5.074 . 0 0 "[ . 1 . 2]" 1
513 1 31 VAL H 1 45 ILE MD 5.600 . 6.100 4.240 3.681 4.938 . 0 0 "[ . 1 . 2]" 1
514 1 31 VAL H 1 76 ASN HA 5.600 . 5.600 5.144 4.282 5.747 0.147 15 0 "[ . 1 . 2]" 1
515 1 31 VAL H 1 77 ILE H 5.600 . 5.600 4.087 3.020 4.872 . 0 0 "[ . 1 . 2]" 1
516 1 31 VAL H 1 78 GLU HA 4.600 . 4.600 2.785 2.316 3.318 . 0 0 "[ . 1 . 2]" 1
517 1 31 VAL H 1 78 GLU H 5.600 . 5.600 4.765 4.209 5.613 0.013 9 0 "[ . 1 . 2]" 1
518 1 31 VAL H 1 79 HIS H 5.600 . 5.600 3.631 3.221 4.174 . 0 0 "[ . 1 . 2]" 1
519 1 32 GLY QA 1 33 GLY HA3 4.600 . 5.600 4.578 4.477 4.604 . 0 0 "[ . 1 . 2]" 1
520 1 32 GLY HA3 1 33 GLY HA2 5.600 . 5.600 4.470 4.430 4.503 . 0 0 "[ . 1 . 2]" 1
521 1 32 GLY HA2 1 33 GLY HA2 5.600 . 5.600 4.688 4.549 4.774 . 0 0 "[ . 1 . 2]" 1
522 1 32 GLY H 1 33 GLY HA3 5.600 . 5.600 4.805 4.644 5.064 . 0 0 "[ . 1 . 2]" 1
523 1 32 GLY H 1 33 GLY H 4.600 . 4.600 2.492 2.305 2.708 . 0 0 "[ . 1 . 2]" 1
524 1 32 GLY H 1 43 ASP HB3 5.600 . 5.600 4.840 4.229 5.562 . 0 0 "[ . 1 . 2]" 1
525 1 32 GLY H 1 43 ASP HB2 5.600 . 5.600 3.966 3.581 4.994 . 0 0 "[ . 1 . 2]" 1
526 1 33 GLY HA3 1 35 GLY H 5.600 . 5.600 3.579 3.250 5.495 . 0 0 "[ . 1 . 2]" 1
527 1 33 GLY HA3 1 78 GLU HA 5.600 . 5.600 5.267 4.406 5.625 0.025 15 0 "[ . 1 . 2]" 1
528 1 33 GLY HA3 1 79 HIS QB 5.600 . 6.600 2.521 1.954 4.181 . 0 0 "[ . 1 . 2]" 1
529 1 33 GLY H 1 34 ARG H 4.600 . 4.600 4.065 2.424 4.353 . 0 0 "[ . 1 . 2]" 1
530 1 33 GLY H 1 35 GLY H 5.600 . 5.600 4.028 3.685 4.501 . 0 0 "[ . 1 . 2]" 1
531 1 34 ARG HB3 2 3 TRP HA 4.600 . 4.600 3.123 2.335 4.172 . 0 0 "[ . 1 . 2]" 1
532 1 34 ARG HB2 2 3 TRP HA 4.600 . 4.600 3.578 2.467 4.698 0.098 9 0 "[ . 1 . 2]" 1
533 1 34 ARG HB2 2 3 TRP HB3 5.600 . 5.600 4.294 3.141 5.649 0.049 7 0 "[ . 1 . 2]" 1
534 1 34 ARG HB3 2 3 TRP HB2 5.600 . 5.600 3.273 2.523 5.560 . 0 0 "[ . 1 . 2]" 1
535 1 34 ARG HB2 2 3 TRP HB2 5.600 . 5.600 3.717 2.458 5.663 0.063 7 0 "[ . 1 . 2]" 1
536 1 34 ARG HB3 2 3 TRP HB3 5.600 . 5.600 3.313 2.159 5.593 . 0 0 "[ . 1 . 2]" 1
537 1 34 ARG QB 2 3 TRP HE3 5.600 . 6.600 4.701 3.870 5.638 . 0 0 "[ . 1 . 2]" 1
538 1 34 ARG HD3 2 3 TRP HA 5.600 . 5.600 2.776 2.063 4.809 . 0 0 "[ . 1 . 2]" 1
539 1 34 ARG HD2 2 3 TRP HA 5.600 . 5.600 2.907 2.002 4.683 . 0 0 "[ . 1 . 2]" 1
540 1 34 ARG HD3 2 3 TRP HB2 5.600 . 5.600 4.167 3.368 5.068 . 0 0 "[ . 1 . 2]" 1
541 1 34 ARG HD2 2 3 TRP HB2 5.600 . 5.600 4.417 3.489 5.330 . 0 0 "[ . 1 . 2]" 1
542 1 34 ARG HD2 2 3 TRP HB3 5.600 . 5.600 4.400 2.325 5.604 0.004 1 0 "[ . 1 . 2]" 1
543 1 34 ARG HD3 2 3 TRP HB3 5.600 . 5.600 3.883 2.633 5.144 . 0 0 "[ . 1 . 2]" 1
544 1 34 ARG QD 2 3 TRP HE3 5.600 . 6.600 5.377 4.628 5.906 . 0 0 "[ . 1 . 2]" 1
545 1 34 ARG H 1 34 ARG QD 5.600 . 6.600 3.776 1.994 4.713 . 0 0 "[ . 1 . 2]" 1
546 1 34 ARG H 1 35 GLY H 3.700 . 3.700 2.678 1.997 2.925 . 0 0 "[ . 1 . 2]" 1
547 1 35 GLY HA2 1 36 ASN HD21 5.600 . 5.600 3.631 2.681 5.214 . 0 0 "[ . 1 . 2]" 1
548 1 35 GLY HA3 1 36 ASN HD21 5.600 . 5.600 4.721 3.561 5.635 0.035 17 0 "[ . 1 . 2]" 1
549 1 36 ASN HA 1 36 ASN HD21 5.600 . 5.600 3.909 3.759 4.277 . 0 0 "[ . 1 . 2]" 1
550 1 36 ASN HA 1 37 PRO QB 5.600 . 6.600 4.507 4.454 4.633 . 0 0 "[ . 1 . 2]" 1
551 1 36 ASN HA 1 37 PRO HD2 4.600 . 4.600 2.767 2.624 3.082 . 0 0 "[ . 1 . 2]" 1
552 1 36 ASN HA 1 37 PRO HD3 4.600 . 4.600 2.055 1.991 2.211 . 0 0 "[ . 1 . 2]" 1
553 1 36 ASN HA 2 3 TRP HE3 5.600 . 5.600 4.167 3.100 5.077 . 0 0 "[ . 1 . 2]" 1
554 1 36 ASN HA 2 3 TRP HZ3 5.600 . 5.600 4.615 3.591 5.427 . 0 0 "[ . 1 . 2]" 1
555 1 36 ASN HB3 1 37 PRO HD3 5.600 . 5.600 4.130 3.725 4.402 . 0 0 "[ . 1 . 2]" 1
556 1 36 ASN HB2 1 37 PRO HD3 5.600 . 5.600 3.801 2.925 4.787 . 0 0 "[ . 1 . 2]" 1
557 1 36 ASN HB3 1 37 PRO HD2 5.600 . 5.600 3.905 2.825 4.422 . 0 0 "[ . 1 . 2]" 1
558 1 36 ASN HB2 1 37 PRO HD2 5.600 . 5.600 3.138 2.151 4.751 . 0 0 "[ . 1 . 2]" 1
559 1 36 ASN HB2 1 38 PHE H 5.600 . 5.600 2.977 2.556 3.783 . 0 0 "[ . 1 . 2]" 1
560 1 36 ASN HB3 1 38 PHE H 5.600 . 5.600 4.151 2.309 4.788 . 0 0 "[ . 1 . 2]" 1
561 1 36 ASN QB 1 39 ARG H 5.600 . 6.600 3.530 2.606 4.208 . 0 0 "[ . 1 . 2]" 1
562 1 36 ASN HD21 1 39 ARG H 5.600 . 5.600 4.688 2.280 5.433 . 0 0 "[ . 1 . 2]" 1
563 1 36 ASN H 1 36 ASN HD21 3.700 . 3.700 2.792 2.048 3.748 0.048 12 0 "[ . 1 . 2]" 1
564 1 36 ASN H 1 37 PRO HD3 5.600 . 5.600 4.579 4.247 4.870 . 0 0 "[ . 1 . 2]" 1
565 1 36 ASN H 1 37 PRO HD2 5.600 . 5.600 5.229 5.031 5.359 . 0 0 "[ . 1 . 2]" 1
566 1 37 PRO HD3 1 38 PHE H 5.600 . 5.600 4.179 3.922 4.596 . 0 0 "[ . 1 . 2]" 1
567 1 37 PRO HD2 1 38 PHE H 5.600 . 5.600 3.146 2.694 3.815 . 0 0 "[ . 1 . 2]" 1
568 1 37 PRO HD2 2 3 TRP HZ3 5.600 . 5.600 3.657 2.501 4.096 . 0 0 "[ . 1 . 2]" 1
569 1 37 PRO HD3 2 3 TRP HZ3 5.600 . 5.600 3.645 2.422 4.169 . 0 0 "[ . 1 . 2]" 1
570 1 37 PRO HG3 1 38 PHE H 5.600 . 5.600 5.065 4.669 5.464 . 0 0 "[ . 1 . 2]" 1
571 1 37 PRO HG2 1 38 PHE H 5.600 . 5.600 4.163 3.548 4.901 . 0 0 "[ . 1 . 2]" 1
572 1 37 PRO QG 2 3 TRP HD1 5.600 . 6.600 5.465 4.904 5.880 . 0 0 "[ . 1 . 2]" 1
573 1 37 PRO HG3 2 3 TRP HH2 5.600 . 5.600 3.551 3.031 4.009 . 0 0 "[ . 1 . 2]" 1
574 1 37 PRO HG2 2 3 TRP HH2 5.600 . 5.600 3.506 2.128 4.052 . 0 0 "[ . 1 . 2]" 1
575 1 37 PRO HG2 2 3 TRP HZ3 5.600 . 5.600 4.398 3.240 5.275 . 0 0 "[ . 1 . 2]" 1
576 1 37 PRO HG3 2 3 TRP HZ3 5.600 . 5.600 4.214 3.153 5.181 . 0 0 "[ . 1 . 2]" 1
577 1 38 PHE HA 1 39 ARG QB 5.600 . 6.600 5.388 5.299 5.513 . 0 0 "[ . 1 . 2]" 1
578 1 38 PHE HB3 1 39 ARG QG 5.600 . 6.600 3.146 2.743 5.366 . 0 0 "[ . 1 . 2]" 1
579 1 38 PHE HB2 1 39 ARG HA 5.600 . 5.600 4.740 4.142 4.860 . 0 0 "[ . 1 . 2]" 1
580 1 38 PHE HB2 1 39 ARG QG 5.600 . 6.600 3.459 2.936 3.998 . 0 0 "[ . 1 . 2]" 1
581 1 38 PHE HB2 1 39 ARG H 3.700 . 3.700 2.487 2.359 2.671 . 0 0 "[ . 1 . 2]" 1
582 1 38 PHE H 1 38 PHE HB2 3.700 . 3.700 2.485 2.379 2.746 . 0 0 "[ . 1 . 2]" 1
583 1 38 PHE H 1 39 ARG H 3.700 . 3.700 2.212 2.020 2.353 . 0 0 "[ . 1 . 2]" 1
584 1 38 PHE HZ 1 48 THR HA 4.600 . 4.600 2.667 2.214 3.325 . 0 0 "[ . 1 . 2]" 1
585 1 38 PHE HZ 1 48 THR HB 5.600 . 5.600 4.113 3.772 4.618 . 0 0 "[ . 1 . 2]" 1
586 1 38 PHE HZ 1 48 THR MG 5.600 . 6.100 4.839 4.446 5.138 . 0 0 "[ . 1 . 2]" 1
587 1 38 PHE HZ 1 62 PRO HB2 5.600 . 5.600 5.315 4.828 5.604 0.004 7 0 "[ . 1 . 2]" 1
588 1 38 PHE HZ 1 62 PRO HB3 5.600 . 5.600 4.790 3.944 5.600 . 0 0 "[ . 1 . 2]" 1
589 1 39 ARG HA 1 39 ARG HD3 4.600 . 4.600 3.294 2.097 4.466 . 0 0 "[ . 1 . 2]" 1
590 1 39 ARG HA 1 39 ARG HD2 4.600 . 4.600 3.920 2.174 4.659 0.059 10 0 "[ . 1 . 2]" 1
591 1 39 ARG HA 1 40 PRO HD2 3.700 . 3.700 2.679 2.503 3.111 . 0 0 "[ . 1 . 2]" 1
592 1 39 ARG HA 1 40 PRO HD3 3.700 . 3.700 2.119 2.008 2.213 . 0 0 "[ . 1 . 2]" 1
593 1 39 ARG HA 1 41 ASP H 5.600 . 5.600 4.421 3.881 4.900 . 0 0 "[ . 1 . 2]" 1
594 1 39 ARG HB3 1 41 ASP H 5.600 . 5.600 3.754 3.415 4.807 . 0 0 "[ . 1 . 2]" 1
595 1 39 ARG HB2 1 41 ASP H 5.600 . 5.600 4.957 3.171 5.356 . 0 0 "[ . 1 . 2]" 1
596 1 39 ARG HB2 1 42 ASP HA 5.600 . 5.600 4.953 4.359 5.290 . 0 0 "[ . 1 . 2]" 1
597 1 39 ARG HB3 1 42 ASP HA 5.600 . 5.600 4.586 4.222 5.646 0.046 12 0 "[ . 1 . 2]" 1
598 1 39 ARG HB3 1 42 ASP HB3 5.600 . 5.600 2.360 2.115 2.857 . 0 0 "[ . 1 . 2]" 1
599 1 39 ARG HB2 1 42 ASP HB3 5.600 . 5.600 2.328 2.068 2.579 . 0 0 "[ . 1 . 2]" 1
600 1 39 ARG HB2 1 42 ASP HB2 5.600 . 5.600 3.576 2.589 3.949 . 0 0 "[ . 1 . 2]" 1
601 1 39 ARG HB3 1 42 ASP HB2 5.600 . 5.600 2.743 2.028 3.553 . 0 0 "[ . 1 . 2]" 1
602 1 39 ARG HB2 1 42 ASP H 5.600 . 5.600 3.373 2.254 3.781 . 0 0 "[ . 1 . 2]" 1
603 1 39 ARG HB3 1 42 ASP H 5.600 . 5.600 2.561 2.229 3.982 . 0 0 "[ . 1 . 2]" 1
604 1 39 ARG HB3 1 46 PHE HZ 5.600 . 5.600 3.957 2.800 4.395 . 0 0 "[ . 1 . 2]" 1
605 1 39 ARG HB2 1 46 PHE HZ 5.600 . 5.600 3.138 2.308 3.587 . 0 0 "[ . 1 . 2]" 1
606 1 39 ARG QD 1 40 PRO QD 5.600 . 7.600 3.140 2.243 4.416 . 0 0 "[ . 1 . 2]" 1
607 1 39 ARG QD 1 41 ASP H 5.600 . 6.600 4.555 3.323 5.497 . 0 0 "[ . 1 . 2]" 1
608 1 39 ARG HD3 1 42 ASP HB2 5.600 . 5.600 3.389 2.331 5.529 . 0 0 "[ . 1 . 2]" 1
609 1 39 ARG HD2 1 42 ASP HB2 5.600 . 5.600 3.808 2.936 5.120 . 0 0 "[ . 1 . 2]" 1
610 1 39 ARG HD3 1 42 ASP H 5.600 . 5.600 4.253 1.998 5.618 0.018 14 0 "[ . 1 . 2]" 1
611 1 39 ARG HD2 1 42 ASP H 5.600 . 5.600 4.986 3.231 5.616 0.016 4 0 "[ . 1 . 2]" 1
612 1 39 ARG HD3 1 46 PHE HZ 5.600 . 5.600 4.483 2.310 5.129 . 0 0 "[ . 1 . 2]" 1
613 1 39 ARG HD2 1 46 PHE HZ 5.600 . 5.600 4.107 2.464 5.615 0.015 12 0 "[ . 1 . 2]" 1
614 1 39 ARG QG 1 41 ASP H 5.600 . 6.600 5.529 4.789 5.717 . 0 0 "[ . 1 . 2]" 1
615 1 39 ARG QG 1 42 ASP HB3 5.600 . 6.600 2.924 2.445 3.763 . 0 0 "[ . 1 . 2]" 1
616 1 39 ARG QG 1 42 ASP HB2 5.600 . 6.600 3.716 3.059 4.446 . 0 0 "[ . 1 . 2]" 1
617 1 39 ARG HG2 1 42 ASP H 5.600 . 5.600 5.282 4.301 5.477 . 0 0 "[ . 1 . 2]" 1
618 1 39 ARG HG3 1 42 ASP H 5.600 . 5.600 4.864 4.487 5.543 . 0 0 "[ . 1 . 2]" 1
619 1 39 ARG H 1 39 ARG QD 5.600 . 6.600 4.514 3.636 4.895 . 0 0 "[ . 1 . 2]" 1
620 1 39 ARG H 1 40 PRO HD3 5.600 . 5.600 4.740 4.640 4.804 . 0 0 "[ . 1 . 2]" 1
621 1 39 ARG H 1 40 PRO HD2 5.600 . 5.600 5.215 5.100 5.353 . 0 0 "[ . 1 . 2]" 1
622 1 40 PRO HA 1 42 ASP H 5.600 . 5.600 4.374 4.187 4.825 . 0 0 "[ . 1 . 2]" 1
623 1 40 PRO HD3 1 41 ASP H 5.600 . 5.600 3.585 3.531 3.604 . 0 0 "[ . 1 . 2]" 1
624 1 40 PRO HD2 1 41 ASP H 5.600 . 5.600 2.188 2.073 2.248 . 0 0 "[ . 1 . 2]" 1
625 1 41 ASP H 1 42 ASP H 3.700 . 3.700 2.436 1.986 2.640 . 0 0 "[ . 1 . 2]" 1
626 1 42 ASP HA 1 43 ASP HB3 5.600 . 5.600 4.661 4.608 4.718 . 0 0 "[ . 1 . 2]" 1
627 1 42 ASP HA 1 43 ASP H 3.100 . 3.100 2.148 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
628 1 42 ASP HA 1 44 GLY H 5.600 . 5.600 4.004 3.661 4.538 . 0 0 "[ . 1 . 2]" 1
629 1 42 ASP HA 1 46 PHE HZ 5.600 . 5.600 5.049 4.240 5.372 . 0 0 "[ . 1 . 2]" 1
630 1 42 ASP HB3 1 44 GLY H 5.600 . 5.600 3.570 3.281 3.902 . 0 0 "[ . 1 . 2]" 1
631 1 42 ASP HB3 1 46 PHE HZ 5.600 . 5.600 2.535 2.009 2.888 . 0 0 "[ . 1 . 2]" 1
632 1 42 ASP HB2 1 44 GLY H 5.600 . 5.600 4.839 4.679 5.283 . 0 0 "[ . 1 . 2]" 1
633 1 42 ASP HB2 1 46 PHE HZ 5.600 . 5.600 3.867 3.125 4.146 . 0 0 "[ . 1 . 2]" 1
634 1 42 ASP H 1 42 ASP HB2 3.700 . 3.700 2.586 2.419 2.695 . 0 0 "[ . 1 . 2]" 1
635 1 42 ASP H 1 46 PHE HZ 5.600 . 5.600 5.227 4.597 5.600 0.000 10 0 "[ . 1 . 2]" 1
636 1 43 ASP H 1 44 GLY H 4.600 . 4.600 3.040 2.607 3.541 . 0 0 "[ . 1 . 2]" 1
637 1 44 GLY QA 1 45 ILE HB 5.600 . 6.600 4.593 4.532 4.646 . 0 0 "[ . 1 . 2]" 1
638 1 44 GLY HA3 1 45 ILE MD 5.600 . 6.100 4.407 4.187 4.669 . 0 0 "[ . 1 . 2]" 1
639 1 44 GLY HA2 1 45 ILE MD 5.600 . 6.100 3.553 3.314 3.776 . 0 0 "[ . 1 . 2]" 1
640 1 44 GLY HA2 1 65 LYS HE3 5.600 . 5.600 4.948 3.563 5.623 0.023 12 0 "[ . 1 . 2]" 1
641 1 44 GLY HA3 1 65 LYS HE3 5.600 . 5.600 3.554 2.099 4.523 . 0 0 "[ . 1 . 2]" 1
642 1 44 GLY HA2 1 65 LYS HE2 5.600 . 5.600 4.882 3.931 5.639 0.039 20 0 "[ . 1 . 2]" 1
643 1 44 GLY HA3 1 65 LYS HE2 5.600 . 5.600 3.497 2.240 4.361 . 0 0 "[ . 1 . 2]" 1
644 1 44 GLY QA 1 65 LYS QG 5.600 . 5.600 3.428 3.040 3.737 . 0 0 "[ . 1 . 2]" 1
645 1 44 GLY HA3 1 75 ILE MD 5.600 . 6.100 3.965 3.182 4.748 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLY HA2 1 75 ILE MD 5.600 . 6.100 4.070 3.424 4.961 . 0 0 "[ . 1 . 2]" 1
647 1 44 GLY QA 1 76 ASN H 5.600 . 6.600 3.611 2.725 4.875 . 0 0 "[ . 1 . 2]" 1
648 1 44 GLY H 1 65 LYS QE 5.600 . 6.600 4.259 3.338 5.422 . 0 0 "[ . 1 . 2]" 1
649 1 45 ILE HA 1 46 PHE QB 4.600 . 5.600 4.448 4.344 4.630 . 0 0 "[ . 1 . 2]" 1
650 1 45 ILE HA 1 46 PHE H 3.100 . 3.100 2.195 2.157 2.232 . 0 0 "[ . 1 . 2]" 1
651 1 45 ILE HA 1 66 ILE H 5.600 . 5.600 5.051 4.726 5.201 . 0 0 "[ . 1 . 2]" 1
652 1 45 ILE HB 1 66 ILE HB 5.600 . 5.600 2.478 2.149 2.684 . 0 0 "[ . 1 . 2]" 1
653 1 45 ILE HB 1 66 ILE MD 5.600 . 6.100 2.938 2.335 3.983 . 0 0 "[ . 1 . 2]" 1
654 1 45 ILE HB 1 66 ILE MG 5.600 . 6.100 4.010 3.720 4.224 . 0 0 "[ . 1 . 2]" 1
655 1 45 ILE HB 1 66 ILE H 4.600 . 4.600 3.120 2.820 3.463 . 0 0 "[ . 1 . 2]" 1
656 1 45 ILE HB 1 74 PHE HB3 5.600 . 5.600 3.766 3.280 4.123 . 0 0 "[ . 1 . 2]" 1
657 1 45 ILE HB 1 74 PHE HB2 5.600 . 5.600 4.975 4.366 5.431 . 0 0 "[ . 1 . 2]" 1
658 1 45 ILE MD 1 46 PHE H 5.600 . 6.100 3.884 3.750 4.010 . 0 0 "[ . 1 . 2]" 1
659 1 45 ILE MD 1 66 ILE HB 5.600 . 6.100 5.070 4.720 5.188 . 0 0 "[ . 1 . 2]" 1
660 1 45 ILE MD 1 74 PHE HB3 5.600 . 6.100 4.326 3.938 4.699 . 0 0 "[ . 1 . 2]" 1
661 1 45 ILE MD 1 77 ILE MD 5.600 . 6.600 3.146 2.897 3.381 . 0 0 "[ . 1 . 2]" 1
662 1 45 ILE MD 1 77 ILE QG 5.600 . 7.100 2.857 2.485 3.146 . 0 0 "[ . 1 . 2]" 1
663 1 45 ILE MD 1 79 HIS HA 5.600 . 6.100 3.202 2.701 3.896 . 0 0 "[ . 1 . 2]" 1
664 1 45 ILE MD 1 82 ALA HA 5.600 . 6.100 4.856 4.681 4.966 . 0 0 "[ . 1 . 2]" 1
665 1 45 ILE MD 1 82 ALA MB 5.600 . 6.600 2.501 2.378 2.651 . 0 0 "[ . 1 . 2]" 1
666 1 45 ILE QG 1 46 PHE H 5.600 . 6.600 4.739 4.633 4.813 . 0 0 "[ . 1 . 2]" 1
667 1 45 ILE QG 1 74 PHE HA 4.600 . 5.600 4.337 3.940 4.697 . 0 0 "[ . 1 . 2]" 1
668 1 45 ILE QG 1 74 PHE HB2 5.600 . 6.600 4.259 3.813 4.673 . 0 0 "[ . 1 . 2]" 1
669 1 45 ILE QG 1 74 PHE HB3 5.600 . 6.600 2.781 2.349 3.159 . 0 0 "[ . 1 . 2]" 1
670 1 45 ILE QG 1 77 ILE MG 5.600 . 7.100 5.093 4.827 5.282 . 0 0 "[ . 1 . 2]" 1
671 1 45 ILE MG 1 46 PHE H 5.600 . 6.100 2.525 2.267 2.738 . 0 0 "[ . 1 . 2]" 1
672 1 45 ILE MG 1 47 VAL H 5.600 . 6.100 4.779 4.714 4.845 . 0 0 "[ . 1 . 2]" 1
673 1 45 ILE MG 1 66 ILE HB 5.600 . 6.100 3.368 3.177 3.572 . 0 0 "[ . 1 . 2]" 1
674 1 45 ILE MG 1 66 ILE MD 5.600 . 6.600 2.413 2.020 3.471 . 0 0 "[ . 1 . 2]" 1
675 1 45 ILE MG 1 66 ILE MG 5.600 . 6.600 4.027 3.639 4.255 . 0 0 "[ . 1 . 2]" 1
676 1 45 ILE MG 1 66 ILE H 5.600 . 6.100 4.022 3.807 4.222 . 0 0 "[ . 1 . 2]" 1
677 1 45 ILE MG 1 74 PHE HB3 5.600 . 6.100 4.463 4.089 4.789 . 0 0 "[ . 1 . 2]" 1
678 1 45 ILE MG 1 82 ALA MB 5.600 . 6.600 2.965 2.686 3.182 . 0 0 "[ . 1 . 2]" 1
679 1 45 ILE H 1 45 ILE HB 3.700 . 3.700 2.768 2.701 2.872 . 0 0 "[ . 1 . 2]" 1
680 1 45 ILE H 1 45 ILE MD 5.600 . 6.100 3.372 3.279 3.478 . 0 0 "[ . 1 . 2]" 1
681 1 45 ILE H 1 65 LYS HE2 5.600 . 5.600 4.465 3.401 5.571 . 0 0 "[ . 1 . 2]" 1
682 1 45 ILE H 1 65 LYS HE3 5.600 . 5.600 4.621 3.243 5.442 . 0 0 "[ . 1 . 2]" 1
683 1 45 ILE H 1 65 LYS HG2 5.600 . 5.600 4.011 3.461 4.543 . 0 0 "[ . 1 . 2]" 1
684 1 45 ILE H 1 65 LYS HG3 5.600 . 5.600 3.339 3.095 3.769 . 0 0 "[ . 1 . 2]" 1
685 1 45 ILE H 1 66 ILE HB 5.600 . 5.600 4.525 4.140 4.906 . 0 0 "[ . 1 . 2]" 1
686 1 45 ILE H 1 66 ILE H 5.600 . 5.600 3.834 3.517 4.078 . 0 0 "[ . 1 . 2]" 1
687 1 45 ILE H 1 74 PHE HB3 5.600 . 5.600 4.700 4.178 5.063 . 0 0 "[ . 1 . 2]" 1
688 1 46 PHE HA 1 47 VAL MG2 5.600 . 6.100 3.305 3.235 3.355 . 0 0 "[ . 1 . 2]" 1
689 1 46 PHE HA 1 64 ASP QB 4.600 . 5.600 4.789 4.228 5.069 . 0 0 "[ . 1 . 2]" 1
690 1 46 PHE HA 1 65 LYS HA 3.700 . 3.700 2.678 2.456 2.803 . 0 0 "[ . 1 . 2]" 1
691 1 46 PHE HA 1 65 LYS HB2 5.600 . 5.600 4.674 4.402 4.884 . 0 0 "[ . 1 . 2]" 1
692 1 46 PHE HA 1 65 LYS HB3 5.600 . 5.600 5.618 5.402 5.700 0.100 19 0 "[ . 1 . 2]" 1
693 1 46 PHE HA 1 65 LYS QG 5.600 . 6.600 4.225 3.872 4.438 . 0 0 "[ . 1 . 2]" 1
694 1 46 PHE HA 1 66 ILE H 4.600 . 4.600 3.512 3.124 3.925 . 0 0 "[ . 1 . 2]" 1
695 1 46 PHE QB 1 63 GLY H 5.600 . 6.600 4.093 3.768 4.725 . 0 0 "[ . 1 . 2]" 1
696 1 46 PHE HZ 1 65 LYS QB 5.600 . 6.600 4.419 3.919 5.034 . 0 0 "[ . 1 . 2]" 1
697 1 46 PHE HZ 1 65 LYS HD3 5.600 . 5.600 5.143 4.475 5.608 0.008 19 0 "[ . 1 . 2]" 1
698 1 46 PHE HZ 1 65 LYS HD2 5.600 . 5.600 3.458 2.792 3.879 . 0 0 "[ . 1 . 2]" 1
699 1 47 VAL HA 1 49 ARG H 5.600 . 5.600 4.088 4.038 4.155 . 0 0 "[ . 1 . 2]" 1
700 1 47 VAL HA 1 66 ILE MD 5.600 . 6.100 4.065 3.746 4.429 . 0 0 "[ . 1 . 2]" 1
701 1 47 VAL HB 1 60 LEU MD1 5.600 . 6.100 4.612 4.232 4.956 . 0 0 "[ . 1 . 2]" 1
702 1 47 VAL HB 1 62 PRO HA 5.600 . 5.600 3.523 3.154 3.720 . 0 0 "[ . 1 . 2]" 1
703 1 47 VAL HB 1 64 ASP H 5.600 . 5.600 3.061 2.699 3.372 . 0 0 "[ . 1 . 2]" 1
704 1 47 VAL MG1 1 48 THR MG 5.600 . 6.600 3.749 3.618 3.871 . 0 0 "[ . 1 . 2]" 1
705 1 47 VAL MG1 1 48 THR H 5.600 . 6.100 3.730 3.637 3.779 . 0 0 "[ . 1 . 2]" 1
706 1 47 VAL MG1 1 49 ARG HA 5.600 . 6.100 3.888 3.779 3.967 . 0 0 "[ . 1 . 2]" 1
707 1 47 VAL MG1 1 49 ARG H 5.600 . 6.100 3.153 3.083 3.237 . 0 0 "[ . 1 . 2]" 1
708 1 47 VAL MG1 1 50 VAL HA 5.600 . 6.100 4.248 3.983 4.443 . 0 0 "[ . 1 . 2]" 1
709 1 47 VAL MG1 1 60 LEU HB3 5.600 . 6.100 3.131 2.737 3.389 . 0 0 "[ . 1 . 2]" 1
710 1 47 VAL MG1 1 60 LEU HB2 5.600 . 6.100 3.361 2.934 3.816 . 0 0 "[ . 1 . 2]" 1
711 1 47 VAL MG1 1 60 LEU MD1 5.600 . 6.600 3.041 2.851 3.300 . 0 0 "[ . 1 . 2]" 1
712 1 47 VAL MG1 1 60 LEU MD2 5.600 . 6.600 3.756 3.171 4.237 . 0 0 "[ . 1 . 2]" 1
713 1 47 VAL MG1 1 62 PRO HA 5.600 . 6.100 3.531 3.111 3.779 . 0 0 "[ . 1 . 2]" 1
714 1 47 VAL MG1 1 62 PRO QB 5.600 . 7.100 4.724 4.293 4.996 . 0 0 "[ . 1 . 2]" 1
715 1 47 VAL MG1 1 63 GLY H 5.600 . 6.100 4.129 3.670 4.406 . 0 0 "[ . 1 . 2]" 1
716 1 47 VAL MG1 1 64 ASP QB 5.600 . 7.100 4.649 3.962 5.261 . 0 0 "[ . 1 . 2]" 1
717 1 47 VAL MG1 1 64 ASP H 5.600 . 6.100 4.549 4.249 4.788 . 0 0 "[ . 1 . 2]" 1
718 1 47 VAL MG1 1 66 ILE MD 5.600 . 6.600 4.038 3.669 4.274 . 0 0 "[ . 1 . 2]" 1
719 1 47 VAL MG2 1 48 THR H 5.600 . 6.100 4.359 4.338 4.380 . 0 0 "[ . 1 . 2]" 1
720 1 47 VAL MG2 1 60 LEU HB3 5.600 . 6.100 2.984 2.539 3.426 . 0 0 "[ . 1 . 2]" 1
721 1 47 VAL MG2 1 60 LEU HB2 5.600 . 6.100 4.021 3.319 4.516 . 0 0 "[ . 1 . 2]" 1
722 1 47 VAL MG2 1 60 LEU MD1 5.600 . 6.600 2.888 2.523 3.392 . 0 0 "[ . 1 . 2]" 1
723 1 47 VAL MG2 1 62 PRO HA 5.600 . 6.100 4.991 4.680 5.147 . 0 0 "[ . 1 . 2]" 1
724 1 47 VAL MG2 1 64 ASP QB 5.600 . 7.100 3.314 2.505 3.988 . 0 0 "[ . 1 . 2]" 1
725 1 47 VAL MG2 1 64 ASP H 5.600 . 6.100 3.764 3.281 4.114 . 0 0 "[ . 1 . 2]" 1
726 1 47 VAL MG2 1 65 LYS HA 5.600 . 6.100 4.422 4.047 4.639 . 0 0 "[ . 1 . 2]" 1
727 1 47 VAL MG2 1 66 ILE MD 5.600 . 6.600 2.134 1.773 2.469 0.127 15 0 "[ . 1 . 2]" 1
728 1 47 VAL H 1 47 VAL HB 3.700 . 3.700 2.612 2.570 2.649 . 0 0 "[ . 1 . 2]" 1
729 1 47 VAL H 1 62 PRO HA 5.600 . 5.600 5.025 4.811 5.404 . 0 0 "[ . 1 . 2]" 1
730 1 47 VAL H 1 63 GLY H 5.600 . 5.600 3.583 3.387 3.799 . 0 0 "[ . 1 . 2]" 1
731 1 47 VAL H 1 64 ASP QB 5.600 . 6.600 3.890 3.173 4.346 . 0 0 "[ . 1 . 2]" 1
732 1 47 VAL H 1 64 ASP H 5.600 . 5.600 2.919 2.421 3.463 . 0 0 "[ . 1 . 2]" 1
733 1 47 VAL H 1 65 LYS HA 5.600 . 5.600 4.241 3.979 4.457 . 0 0 "[ . 1 . 2]" 1
734 1 47 VAL H 1 66 ILE MD 5.600 . 6.100 3.985 3.198 4.696 . 0 0 "[ . 1 . 2]" 1
735 1 47 VAL H 1 66 ILE H 5.600 . 5.600 5.053 4.663 5.387 . 0 0 "[ . 1 . 2]" 1
736 1 48 THR HA 1 62 PRO HA 5.600 . 5.600 4.467 4.136 4.873 . 0 0 "[ . 1 . 2]" 1
737 1 48 THR HA 1 63 GLY H 5.600 . 5.600 3.708 3.227 4.672 . 0 0 "[ . 1 . 2]" 1
738 1 48 THR HB 1 49 ARG QG 5.600 . 6.600 4.513 4.230 4.875 . 0 0 "[ . 1 . 2]" 1
739 1 48 THR HB 1 49 ARG H 4.600 . 4.600 3.913 3.899 3.922 . 0 0 "[ . 1 . 2]" 1
740 1 48 THR MG 1 49 ARG HA 5.600 . 6.100 4.117 4.022 4.191 . 0 0 "[ . 1 . 2]" 1
741 1 48 THR MG 1 49 ARG QB 5.600 . 7.100 3.489 3.295 3.654 . 0 0 "[ . 1 . 2]" 1
742 1 48 THR MG 1 49 ARG HD3 5.600 . 6.100 3.894 2.935 4.835 . 0 0 "[ . 1 . 2]" 1
743 1 48 THR MG 1 49 ARG HD2 5.600 . 6.100 4.308 3.296 4.825 . 0 0 "[ . 1 . 2]" 1
744 1 48 THR MG 1 49 ARG HE 5.600 . 6.100 4.560 3.631 4.874 . 0 0 "[ . 1 . 2]" 1
745 1 48 THR MG 1 49 ARG HG3 5.600 . 6.100 3.086 2.625 3.765 . 0 0 "[ . 1 . 2]" 1
746 1 48 THR MG 1 49 ARG HG2 5.600 . 6.100 2.096 1.977 2.440 . 0 0 "[ . 1 . 2]" 1
747 1 48 THR MG 1 49 ARG H 5.600 . 6.100 1.911 1.893 1.948 0.007 13 0 "[ . 1 . 2]" 1
748 1 48 THR MG 2 3 TRP HE3 5.600 . 6.100 4.343 3.849 4.722 . 0 0 "[ . 1 . 2]" 1
749 1 48 THR MG 2 3 TRP HH2 4.600 . 5.100 3.833 3.353 4.221 . 0 0 "[ . 1 . 2]" 1
750 1 48 THR MG 2 3 TRP HZ3 5.600 . 6.100 3.007 2.459 3.838 . 0 0 "[ . 1 . 2]" 1
751 1 48 THR MG 2 4 GLU HA 5.600 . 6.100 3.773 3.211 4.248 . 0 0 "[ . 1 . 2]" 1
752 1 48 THR MG 2 4 GLU HG2 5.600 . 6.100 4.216 3.226 4.751 . 0 0 "[ . 1 . 2]" 1
753 1 48 THR MG 2 4 GLU HG3 5.600 . 6.100 3.858 2.585 4.680 . 0 0 "[ . 1 . 2]" 1
754 1 48 THR H 1 49 ARG H 4.600 . 4.600 3.329 3.264 3.384 . 0 0 "[ . 1 . 2]" 1
755 1 48 THR H 1 63 GLY H 5.600 . 5.600 4.577 4.239 5.278 . 0 0 "[ . 1 . 2]" 1
756 1 49 ARG HA 1 50 VAL MG2 5.600 . 6.100 3.123 3.028 3.223 . 0 0 "[ . 1 . 2]" 1
757 1 49 ARG HA 1 62 PRO HA 5.600 . 5.600 3.465 2.817 4.079 . 0 0 "[ . 1 . 2]" 1
758 1 49 ARG HA 1 62 PRO QB 5.600 . 6.600 2.727 1.998 3.748 . 0 0 "[ . 1 . 2]" 1
759 1 49 ARG HA 1 62 PRO HD3 5.600 . 5.600 5.067 4.611 5.601 0.001 5 0 "[ . 1 . 2]" 1
760 1 49 ARG HA 1 62 PRO QG 4.600 . 5.600 2.964 2.422 3.473 . 0 0 "[ . 1 . 2]" 1
761 1 49 ARG HB3 1 50 VAL H 4.600 . 4.600 3.609 3.492 3.771 . 0 0 "[ . 1 . 2]" 1
762 1 49 ARG HB2 1 50 VAL H 4.600 . 4.600 2.218 2.018 2.559 . 0 0 "[ . 1 . 2]" 1
763 1 49 ARG HB3 2 6 TRP HH2 5.600 . 5.600 5.274 4.741 5.633 0.033 7 0 "[ . 1 . 2]" 1
764 1 49 ARG HB2 2 6 TRP HH2 5.600 . 5.600 4.017 3.489 4.520 . 0 0 "[ . 1 . 2]" 1
765 1 49 ARG HB2 2 6 TRP HZ2 5.600 . 5.600 4.595 4.238 5.129 . 0 0 "[ . 1 . 2]" 1
766 1 49 ARG HB3 2 6 TRP HZ2 5.600 . 5.600 5.293 5.049 5.607 0.007 18 0 "[ . 1 . 2]" 1
767 1 49 ARG QD 1 50 VAL H 5.600 . 6.600 4.261 3.062 4.993 . 0 0 "[ . 1 . 2]" 1
768 1 49 ARG HD2 2 6 TRP HH2 5.600 . 5.600 4.195 2.447 5.416 . 0 0 "[ . 1 . 2]" 1
769 1 49 ARG HD3 2 6 TRP HH2 5.600 . 5.600 4.620 3.614 5.333 . 0 0 "[ . 1 . 2]" 1
770 1 49 ARG HD3 2 6 TRP HZ2 4.600 . 4.600 3.470 2.575 3.926 . 0 0 "[ . 1 . 2]" 1
771 1 49 ARG HD2 2 6 TRP HZ2 4.600 . 4.600 3.411 2.007 4.427 . 0 0 "[ . 1 . 2]" 1
772 1 49 ARG HE 1 51 GLN HE21 5.600 . 5.600 4.881 3.039 5.602 0.002 7 0 "[ . 1 . 2]" 1
773 1 49 ARG HE 2 6 TRP HE1 5.600 . 5.600 4.160 2.885 5.412 . 0 0 "[ . 1 . 2]" 1
774 1 49 ARG HE 2 6 TRP HZ2 5.600 . 5.600 2.359 2.009 3.085 . 0 0 "[ . 1 . 2]" 1
775 1 49 ARG QG 1 50 VAL HA 5.600 . 6.600 4.010 3.751 4.434 . 0 0 "[ . 1 . 2]" 1
776 1 49 ARG HG2 1 50 VAL H 5.600 . 5.600 4.566 3.942 4.992 . 0 0 "[ . 1 . 2]" 1
777 1 49 ARG HG3 1 50 VAL H 5.600 . 5.600 3.618 3.177 4.171 . 0 0 "[ . 1 . 2]" 1
778 1 49 ARG QG 1 51 GLN H 5.600 . 6.600 5.226 4.841 5.556 . 0 0 "[ . 1 . 2]" 1
779 1 49 ARG QG 2 6 TRP HE1 5.600 . 6.600 4.471 4.225 4.806 . 0 0 "[ . 1 . 2]" 1
780 1 49 ARG HG3 2 6 TRP HH2 5.600 . 5.600 2.723 2.055 3.307 . 0 0 "[ . 1 . 2]" 1
781 1 49 ARG HG2 2 6 TRP HH2 5.600 . 5.600 4.319 3.414 5.067 . 0 0 "[ . 1 . 2]" 1
782 1 49 ARG HG2 2 6 TRP HZ2 4.600 . 4.600 3.670 3.274 4.060 . 0 0 "[ . 1 . 2]" 1
783 1 49 ARG HG3 2 6 TRP HZ2 4.600 . 4.600 2.635 2.261 3.139 . 0 0 "[ . 1 . 2]" 1
784 1 49 ARG H 1 50 VAL MG2 5.600 . 6.100 4.328 4.204 4.471 . 0 0 "[ . 1 . 2]" 1
785 1 49 ARG H 1 62 PRO HA 5.600 . 5.600 4.701 4.276 5.327 . 0 0 "[ . 1 . 2]" 1
786 1 49 ARG H 2 6 TRP HH2 5.600 . 5.600 5.085 4.539 5.342 . 0 0 "[ . 1 . 2]" 1
787 1 49 ARG H 2 6 TRP HZ2 5.600 . 5.600 5.463 5.250 5.623 0.023 20 0 "[ . 1 . 2]" 1
788 1 50 VAL HA 2 6 TRP HE3 5.600 . 5.600 4.999 4.431 5.422 . 0 0 "[ . 1 . 2]" 1
789 1 50 VAL HA 2 6 TRP HH2 5.600 . 5.600 2.905 2.530 3.142 . 0 0 "[ . 1 . 2]" 1
790 1 50 VAL HA 2 6 TRP HZ3 3.700 . 3.700 2.732 2.104 3.137 . 0 0 "[ . 1 . 2]" 1
791 1 50 VAL HB 1 57 SER HA 5.600 . 5.600 3.910 3.413 4.661 . 0 0 "[ . 1 . 2]" 1
792 1 50 VAL MG1 1 51 GLN H 5.600 . 6.100 2.056 1.955 2.122 . 0 0 "[ . 1 . 2]" 1
793 1 50 VAL MG1 1 52 PRO HA 5.600 . 6.100 4.616 4.565 4.691 . 0 0 "[ . 1 . 2]" 1
794 1 50 VAL MG1 1 54 GLY H 5.600 . 6.100 4.003 3.878 4.118 . 0 0 "[ . 1 . 2]" 1
795 1 50 VAL MG1 1 57 SER HA 5.600 . 6.100 2.573 2.134 3.151 . 0 0 "[ . 1 . 2]" 1
796 1 50 VAL MG1 1 57 SER HB3 5.600 . 6.100 3.571 2.287 4.187 . 0 0 "[ . 1 . 2]" 1
797 1 50 VAL MG1 1 57 SER HB2 5.600 . 6.100 3.225 1.971 4.838 . 0 0 "[ . 1 . 2]" 1
798 1 50 VAL MG1 1 57 SER H 5.600 . 6.100 3.930 2.808 4.574 . 0 0 "[ . 1 . 2]" 1
799 1 50 VAL MG1 1 60 LEU HB2 5.600 . 6.100 4.771 4.405 4.963 . 0 0 "[ . 1 . 2]" 1
800 1 50 VAL MG2 1 51 GLN H 5.600 . 6.100 4.040 3.983 4.088 . 0 0 "[ . 1 . 2]" 1
801 1 50 VAL MG2 1 52 PRO QD 5.600 . 7.100 4.826 4.732 4.939 . 0 0 "[ . 1 . 2]" 1
802 1 50 VAL MG2 1 56 ALA MB 5.600 . 6.600 3.535 3.131 3.916 . 0 0 "[ . 1 . 2]" 1
803 1 50 VAL MG2 1 57 SER HA 5.600 . 6.100 2.867 2.352 3.843 . 0 0 "[ . 1 . 2]" 1
804 1 50 VAL MG2 1 60 LEU HB3 5.600 . 6.100 4.334 4.002 4.710 . 0 0 "[ . 1 . 2]" 1
805 1 50 VAL MG2 1 60 LEU HB2 5.600 . 6.100 3.572 3.282 3.783 . 0 0 "[ . 1 . 2]" 1
806 1 50 VAL MG2 1 60 LEU MD1 5.600 . 6.600 4.077 3.768 4.288 . 0 0 "[ . 1 . 2]" 1
807 1 50 VAL MG2 1 60 LEU H 5.600 . 6.100 4.679 4.502 4.906 . 0 0 "[ . 1 . 2]" 1
808 1 50 VAL MG2 1 61 GLN HA 5.600 . 6.100 4.109 3.699 4.571 . 0 0 "[ . 1 . 2]" 1
809 1 50 VAL MG2 1 62 PRO HA 5.600 . 6.100 3.930 3.251 4.406 . 0 0 "[ . 1 . 2]" 1
810 1 50 VAL MG2 1 62 PRO HD3 5.600 . 6.100 3.557 3.269 3.887 . 0 0 "[ . 1 . 2]" 1
811 1 50 VAL MG2 1 62 PRO HD2 5.600 . 6.100 4.918 4.658 5.012 . 0 0 "[ . 1 . 2]" 1
812 1 50 VAL MG2 2 6 TRP HH2 5.600 . 6.100 4.808 4.573 5.042 . 0 0 "[ . 1 . 2]" 1
813 1 50 VAL MG2 2 6 TRP HZ3 5.600 . 6.100 4.644 4.245 4.899 . 0 0 "[ . 1 . 2]" 1
814 1 50 VAL H 1 62 PRO HA 5.600 . 5.600 5.367 4.437 5.634 0.034 13 0 "[ . 1 . 2]" 1
815 1 50 VAL H 1 62 PRO QD 5.600 . 6.600 5.238 4.786 5.832 . 0 0 "[ . 1 . 2]" 1
816 1 51 GLN HA 1 52 PRO HD3 4.600 . 4.600 4.070 4.062 4.093 . 0 0 "[ . 1 . 2]" 1
817 1 51 GLN HA 1 52 PRO HD2 4.600 . 4.600 4.072 4.036 4.135 . 0 0 "[ . 1 . 2]" 1
818 1 51 GLN HA 2 6 TRP HH2 4.600 . 4.600 3.553 3.332 3.803 . 0 0 "[ . 1 . 2]" 1
819 1 51 GLN HA 2 6 TRP HZ3 5.600 . 5.600 4.545 4.163 4.833 . 0 0 "[ . 1 . 2]" 1
820 1 51 GLN HB3 1 52 PRO HD2 5.600 . 5.600 3.456 3.338 3.481 . 0 0 "[ . 1 . 2]" 1
821 1 51 GLN HB3 1 52 PRO HD3 5.600 . 5.600 2.297 2.127 2.374 . 0 0 "[ . 1 . 2]" 1
822 1 51 GLN HB2 1 52 PRO HD2 5.600 . 5.600 2.590 2.529 2.682 . 0 0 "[ . 1 . 2]" 1
823 1 51 GLN HB2 1 52 PRO HD3 5.600 . 5.600 2.024 1.994 2.154 . 0 0 "[ . 1 . 2]" 1
824 1 51 GLN QB 2 6 TRP HE3 5.600 . 6.600 4.108 3.671 4.418 . 0 0 "[ . 1 . 2]" 1
825 1 51 GLN HB3 2 6 TRP HH2 5.600 . 5.600 4.589 4.312 4.995 . 0 0 "[ . 1 . 2]" 1
826 1 51 GLN HB2 2 6 TRP HH2 5.600 . 5.600 3.417 3.029 3.940 . 0 0 "[ . 1 . 2]" 1
827 1 51 GLN HB3 2 6 TRP HZ3 4.600 . 4.600 4.499 4.310 4.610 0.010 19 0 "[ . 1 . 2]" 1
828 1 51 GLN HB2 2 6 TRP HZ3 4.600 . 4.600 2.780 2.588 2.951 . 0 0 "[ . 1 . 2]" 1
829 1 51 GLN H 1 52 PRO HD3 5.600 . 5.600 3.105 3.077 3.178 . 0 0 "[ . 1 . 2]" 1
830 1 51 GLN H 1 52 PRO HD2 5.600 . 5.600 2.050 2.001 2.194 . 0 0 "[ . 1 . 2]" 1
831 1 51 GLN H 2 6 TRP HE3 5.600 . 5.600 4.742 4.107 5.192 . 0 0 "[ . 1 . 2]" 1
832 1 51 GLN H 2 6 TRP HZ2 5.600 . 5.600 5.440 5.027 5.596 . 0 0 "[ . 1 . 2]" 1
833 1 51 GLN H 2 6 TRP HZ3 4.600 . 4.600 2.446 2.065 2.814 . 0 0 "[ . 1 . 2]" 1
834 1 52 PRO HA 1 54 GLY H 5.600 . 5.600 4.548 4.467 4.631 . 0 0 "[ . 1 . 2]" 1
835 1 52 PRO QB 1 54 GLY QA 5.600 . 7.600 3.961 3.830 4.079 . 0 0 "[ . 1 . 2]" 1
836 1 52 PRO QD 1 55 PRO HD3 5.600 . 6.600 5.611 5.396 5.828 . 0 0 "[ . 1 . 2]" 1
837 1 52 PRO QD 1 55 PRO HD2 5.600 . 6.600 4.512 4.355 4.706 . 0 0 "[ . 1 . 2]" 1
838 1 52 PRO QD 1 55 PRO HG3 5.600 . 6.600 4.583 4.282 5.011 . 0 0 "[ . 1 . 2]" 1
839 1 52 PRO QD 1 55 PRO HG2 5.600 . 6.600 3.972 3.751 4.469 . 0 0 "[ . 1 . 2]" 1
840 1 53 GLU HA 1 55 PRO QD 5.600 . 6.600 4.220 4.109 4.346 . 0 0 "[ . 1 . 2]" 1
841 1 53 GLU HA 1 57 SER HA 5.600 . 5.600 4.089 3.174 4.643 . 0 0 "[ . 1 . 2]" 1
842 1 53 GLU HA 1 57 SER HB3 5.600 . 5.600 2.320 2.002 2.945 . 0 0 "[ . 1 . 2]" 1
843 1 53 GLU HA 1 57 SER HB2 5.600 . 5.600 2.437 2.005 3.214 . 0 0 "[ . 1 . 2]" 1
844 1 53 GLU H 1 54 GLY QA 5.600 . 6.600 4.672 4.629 4.741 . 0 0 "[ . 1 . 2]" 1
845 1 53 GLU H 1 54 GLY H 4.600 . 4.600 3.746 3.677 3.831 . 0 0 "[ . 1 . 2]" 1
846 1 53 GLU H 1 55 PRO QD 5.600 . 6.600 4.501 4.314 4.773 . 0 0 "[ . 1 . 2]" 1
847 1 53 GLU H 1 57 SER HB3 5.600 . 5.600 4.997 4.520 5.662 0.062 10 0 "[ . 1 . 2]" 1
848 1 54 GLY HA2 1 55 PRO HD2 4.600 . 4.600 3.858 3.823 3.900 . 0 0 "[ . 1 . 2]" 1
849 1 54 GLY HA3 1 55 PRO HD3 4.600 . 4.600 2.736 2.627 2.823 . 0 0 "[ . 1 . 2]" 1
850 1 54 GLY HA2 1 55 PRO HD3 4.600 . 4.600 4.236 4.155 4.300 . 0 0 "[ . 1 . 2]" 1
851 1 54 GLY HA3 1 55 PRO HD2 4.600 . 4.600 2.707 2.644 2.756 . 0 0 "[ . 1 . 2]" 1
852 1 54 GLY QA 1 55 PRO QG 5.600 . 5.600 4.124 4.087 4.152 . 0 0 "[ . 1 . 2]" 1
853 1 54 GLY HA3 1 57 SER HB3 5.600 . 5.600 4.761 4.185 5.386 . 0 0 "[ . 1 . 2]" 1
854 1 54 GLY HA2 1 57 SER HB3 5.600 . 5.600 3.917 3.234 4.997 . 0 0 "[ . 1 . 2]" 1
855 1 54 GLY H 1 55 PRO HD3 5.600 . 5.600 3.556 3.477 3.637 . 0 0 "[ . 1 . 2]" 1
856 1 54 GLY H 1 55 PRO HD2 5.600 . 5.600 2.043 2.008 2.140 . 0 0 "[ . 1 . 2]" 1
857 1 54 GLY H 1 55 PRO QG 5.600 . 6.600 3.538 3.420 3.652 . 0 0 "[ . 1 . 2]" 1
858 1 54 GLY H 1 56 ALA H 5.600 . 5.600 3.963 3.582 4.183 . 0 0 "[ . 1 . 2]" 1
859 1 54 GLY H 1 57 SER HA 5.600 . 5.600 4.726 4.240 5.088 . 0 0 "[ . 1 . 2]" 1
860 1 54 GLY H 1 57 SER HB3 4.600 . 4.600 2.732 2.192 3.279 . 0 0 "[ . 1 . 2]" 1
861 1 55 PRO HA 1 56 ALA MB 5.600 . 6.100 4.694 4.459 4.841 . 0 0 "[ . 1 . 2]" 1
862 1 55 PRO HA 1 57 SER H 5.600 . 5.600 4.555 4.220 5.022 . 0 0 "[ . 1 . 2]" 1
863 1 55 PRO HB2 1 56 ALA MB 5.600 . 6.100 3.153 3.016 3.379 . 0 0 "[ . 1 . 2]" 1
864 1 55 PRO HB3 1 56 ALA MB 5.600 . 6.100 4.660 4.525 4.832 . 0 0 "[ . 1 . 2]" 1
865 1 55 PRO HB2 1 56 ALA H 4.600 . 4.600 2.271 2.143 2.657 . 0 0 "[ . 1 . 2]" 1
866 1 55 PRO HB2 1 57 SER H 5.600 . 5.600 4.923 4.478 5.313 . 0 0 "[ . 1 . 2]" 1
867 1 55 PRO HD2 1 56 ALA H 5.600 . 5.600 3.504 3.139 3.663 . 0 0 "[ . 1 . 2]" 1
868 1 55 PRO HD3 1 56 ALA H 5.600 . 5.600 4.295 4.118 4.374 . 0 0 "[ . 1 . 2]" 1
869 1 55 PRO QD 1 57 SER H 5.600 . 6.600 4.442 3.729 4.721 . 0 0 "[ . 1 . 2]" 1
870 1 55 PRO HG2 1 56 ALA MB 5.600 . 6.100 3.655 3.372 3.879 . 0 0 "[ . 1 . 2]" 1
871 1 55 PRO HG3 1 56 ALA H 5.600 . 5.600 3.576 3.547 3.690 . 0 0 "[ . 1 . 2]" 1
872 1 55 PRO HG2 1 56 ALA H 5.600 . 5.600 2.018 2.001 2.088 . 0 0 "[ . 1 . 2]" 1
873 1 56 ALA HA 1 59 LEU HB3 5.600 . 5.600 4.340 3.769 5.240 . 0 0 "[ . 1 . 2]" 1
874 1 56 ALA HA 1 59 LEU HB2 4.600 . 4.600 2.716 2.167 3.548 . 0 0 "[ . 1 . 2]" 1
875 1 56 ALA HA 1 59 LEU MD1 5.600 . 6.100 2.995 2.071 4.933 . 0 0 "[ . 1 . 2]" 1
876 1 56 ALA HA 1 59 LEU H 5.600 . 5.600 3.389 3.113 3.603 . 0 0 "[ . 1 . 2]" 1
877 1 56 ALA HA 1 60 LEU HB2 5.600 . 5.600 4.403 3.348 5.137 . 0 0 "[ . 1 . 2]" 1
878 1 56 ALA HA 1 60 LEU MD1 5.600 . 6.100 3.419 3.039 3.960 . 0 0 "[ . 1 . 2]" 1
879 1 56 ALA HA 1 60 LEU H 4.600 . 4.600 3.452 2.946 4.545 . 0 0 "[ . 1 . 2]" 1
880 1 56 ALA MB 1 57 SER HA 5.600 . 6.100 4.198 3.874 4.291 . 0 0 "[ . 1 . 2]" 1
881 1 56 ALA MB 1 59 LEU HB2 5.600 . 6.100 3.628 2.669 4.585 . 0 0 "[ . 1 . 2]" 1
882 1 56 ALA MB 1 60 LEU HB2 5.600 . 6.100 2.990 2.363 3.541 . 0 0 "[ . 1 . 2]" 1
883 1 56 ALA MB 1 60 LEU MD1 5.600 . 6.600 1.908 1.825 2.041 0.075 15 0 "[ . 1 . 2]" 1
884 1 56 ALA MB 1 60 LEU MD2 5.600 . 6.600 4.108 3.884 4.292 . 0 0 "[ . 1 . 2]" 1
885 1 56 ALA MB 1 60 LEU HG 5.600 . 6.100 3.497 2.902 4.346 . 0 0 "[ . 1 . 2]" 1
886 1 56 ALA MB 1 60 LEU H 5.600 . 6.100 3.499 2.884 4.571 . 0 0 "[ . 1 . 2]" 1
887 1 56 ALA H 1 57 SER HA 5.600 . 5.600 4.747 4.512 4.927 . 0 0 "[ . 1 . 2]" 1
888 1 56 ALA H 1 57 SER H 3.700 . 3.700 3.045 2.323 3.157 . 0 0 "[ . 1 . 2]" 1
889 1 56 ALA H 1 58 LYS H 5.600 . 5.600 5.403 4.279 5.647 0.047 8 0 "[ . 1 . 2]" 1
890 1 56 ALA H 1 59 LEU H 5.600 . 5.600 5.610 5.370 5.678 0.078 12 0 "[ . 1 . 2]" 1
891 1 56 ALA H 1 60 LEU MD1 5.600 . 6.100 4.934 4.872 5.010 . 0 0 "[ . 1 . 2]" 1
892 1 57 SER HA 1 59 LEU H 5.600 . 5.600 4.034 3.896 4.238 . 0 0 "[ . 1 . 2]" 1
893 1 57 SER HA 1 60 LEU H 5.600 . 5.600 4.308 3.359 5.290 . 0 0 "[ . 1 . 2]" 1
894 1 57 SER HB3 1 59 LEU H 5.600 . 5.600 4.891 4.326 5.429 . 0 0 "[ . 1 . 2]" 1
895 1 57 SER H 1 57 SER HB3 3.700 . 3.700 2.734 2.555 2.995 . 0 0 "[ . 1 . 2]" 1
896 1 57 SER H 1 58 LYS H 4.600 . 4.600 2.436 2.186 2.652 . 0 0 "[ . 1 . 2]" 1
897 1 58 LYS QB 1 59 LEU MD1 5.600 . 7.100 4.556 3.008 5.246 . 0 0 "[ . 1 . 2]" 1
898 1 58 LYS H 1 59 LEU H 4.600 . 4.600 2.652 2.487 2.718 . 0 0 "[ . 1 . 2]" 1
899 1 58 LYS H 1 60 LEU H 5.600 . 5.600 4.798 4.045 5.243 . 0 0 "[ . 1 . 2]" 1
900 1 59 LEU HA 1 60 LEU HG 5.600 . 5.600 4.848 4.528 5.091 . 0 0 "[ . 1 . 2]" 1
901 1 59 LEU HB3 1 60 LEU MD2 5.600 . 6.100 4.257 3.738 4.908 . 0 0 "[ . 1 . 2]" 1
902 1 59 LEU HB2 1 60 LEU MD1 5.600 . 6.100 3.671 2.635 4.371 . 0 0 "[ . 1 . 2]" 1
903 1 59 LEU HB2 1 60 LEU MD2 5.600 . 6.100 4.616 4.123 4.995 . 0 0 "[ . 1 . 2]" 1
904 1 59 LEU HB2 1 60 LEU H 3.700 . 3.700 2.335 2.003 3.728 0.028 16 0 "[ . 1 . 2]" 1
905 1 59 LEU MD2 1 60 LEU H 5.600 . 6.100 4.540 3.854 4.896 . 0 0 "[ . 1 . 2]" 1
906 1 59 LEU H 1 59 LEU MD1 5.600 . 6.100 3.574 2.248 3.886 . 0 0 "[ . 1 . 2]" 1
907 1 59 LEU H 1 59 LEU MD2 5.600 . 6.100 3.691 2.188 4.280 . 0 0 "[ . 1 . 2]" 1
908 1 59 LEU H 1 59 LEU HG 4.600 . 4.600 2.898 2.230 4.071 . 0 0 "[ . 1 . 2]" 1
909 1 60 LEU HA 1 61 GLN HG2 5.600 . 5.600 4.452 3.363 5.167 . 0 0 "[ . 1 . 2]" 1
910 1 60 LEU HA 1 61 GLN HG3 5.600 . 5.600 4.337 3.386 5.521 . 0 0 "[ . 1 . 2]" 1
911 1 60 LEU HA 1 97 ILE MD 5.600 . 6.100 2.824 2.496 3.157 . 0 0 "[ . 1 . 2]" 1
912 1 60 LEU HA 1 97 ILE QG 5.600 . 6.600 4.913 4.599 5.185 . 0 0 "[ . 1 . 2]" 1
913 1 60 LEU HA 1 97 ILE MG 5.600 . 6.100 4.125 3.492 4.825 . 0 0 "[ . 1 . 2]" 1
914 1 60 LEU HB3 1 61 GLN H 4.600 . 4.600 2.810 2.537 2.983 . 0 0 "[ . 1 . 2]" 1
915 1 60 LEU HB2 1 61 GLN H 4.600 . 4.600 3.892 3.723 4.042 . 0 0 "[ . 1 . 2]" 1
916 1 60 LEU MD1 1 61 GLN H 5.600 . 6.100 4.923 4.626 5.113 . 0 0 "[ . 1 . 2]" 1
917 1 60 LEU MD1 1 66 ILE MD 5.600 . 6.600 4.225 3.444 4.402 . 0 0 "[ . 1 . 2]" 1
918 1 60 LEU MD1 1 95 LEU HB2 5.600 . 6.100 3.995 3.265 4.454 . 0 0 "[ . 1 . 2]" 1
919 1 60 LEU MD1 1 95 LEU MD1 5.600 . 6.600 3.026 2.230 4.453 . 0 0 "[ . 1 . 2]" 1
920 1 60 LEU MD1 1 95 LEU MD2 5.600 . 6.600 3.988 3.187 4.469 . 0 0 "[ . 1 . 2]" 1
921 1 60 LEU MD1 1 97 ILE MD 5.600 . 6.600 4.327 4.031 4.476 . 0 0 "[ . 1 . 2]" 1
922 1 60 LEU MD1 1 97 ILE MG 5.600 . 6.600 3.780 3.515 3.996 . 0 0 "[ . 1 . 2]" 1
923 1 60 LEU MD2 1 61 GLN H 5.600 . 6.100 3.558 3.138 4.118 . 0 0 "[ . 1 . 2]" 1
924 1 60 LEU MD2 1 64 ASP HB2 5.600 . 6.100 3.953 3.112 4.604 . 0 0 "[ . 1 . 2]" 1
925 1 60 LEU MD2 1 64 ASP HB3 5.600 . 6.100 3.857 2.919 4.521 . 0 0 "[ . 1 . 2]" 1
926 1 60 LEU MD2 1 97 ILE HB 5.600 . 6.100 3.752 3.535 3.998 . 0 0 "[ . 1 . 2]" 1
927 1 60 LEU MD2 1 97 ILE QG 5.600 . 7.100 3.389 2.919 3.877 . 0 0 "[ . 1 . 2]" 1
928 1 60 LEU H 1 60 LEU MD1 5.600 . 6.100 3.248 2.340 4.195 . 0 0 "[ . 1 . 2]" 1
929 1 60 LEU H 1 60 LEU MD2 5.600 . 6.100 3.959 3.693 4.247 . 0 0 "[ . 1 . 2]" 1
930 1 61 GLN HA 1 62 PRO HD2 5.600 . 5.600 2.871 2.675 3.115 . 0 0 "[ . 1 . 2]" 1
931 1 61 GLN HA 1 62 PRO HD3 5.600 . 5.600 2.043 1.981 2.113 . 0 0 "[ . 1 . 2]" 1
932 1 61 GLN HA 1 62 PRO QG 5.600 . 6.600 3.874 3.753 3.945 . 0 0 "[ . 1 . 2]" 1
933 1 61 GLN HB3 1 62 PRO HD2 5.600 . 5.600 3.668 2.769 4.152 . 0 0 "[ . 1 . 2]" 1
934 1 61 GLN HB3 1 62 PRO HD3 5.600 . 5.600 3.880 3.416 4.332 . 0 0 "[ . 1 . 2]" 1
935 1 61 GLN HB2 1 62 PRO HD2 5.600 . 5.600 2.914 2.336 4.312 . 0 0 "[ . 1 . 2]" 1
936 1 61 GLN HB2 1 62 PRO HD3 5.600 . 5.600 3.598 3.030 4.580 . 0 0 "[ . 1 . 2]" 1
937 1 61 GLN QB 1 97 ILE MD 5.600 . 7.100 4.953 4.261 5.277 . 0 0 "[ . 1 . 2]" 1
938 1 61 GLN HE21 1 99 ARG HA 5.600 . 5.600 4.955 4.366 5.612 0.012 2 0 "[ . 1 . 2]" 1
939 1 61 GLN HE21 1 99 ARG QB 5.600 . 6.600 4.858 3.929 5.665 . 0 0 "[ . 1 . 2]" 1
940 1 61 GLN HE21 1 99 ARG HD2 5.600 . 5.600 3.217 2.099 4.726 . 0 0 "[ . 1 . 2]" 1
941 1 61 GLN HE21 1 99 ARG HD3 5.600 . 5.600 3.715 2.009 5.481 . 0 0 "[ . 1 . 2]" 1
942 1 61 GLN HG3 1 97 ILE MD 5.600 . 6.100 4.193 3.687 5.056 . 0 0 "[ . 1 . 2]" 1
943 1 61 GLN HG2 1 97 ILE MD 5.600 . 6.100 4.309 3.357 5.123 . 0 0 "[ . 1 . 2]" 1
944 1 61 GLN HG3 1 99 ARG HE 5.600 . 5.600 3.714 2.183 5.007 . 0 0 "[ . 1 . 2]" 1
945 1 61 GLN HG2 1 99 ARG HE 5.600 . 5.600 3.700 2.175 5.454 . 0 0 "[ . 1 . 2]" 1
946 1 61 GLN H 1 61 GLN HG3 4.600 . 4.600 2.631 1.996 3.681 . 0 0 "[ . 1 . 2]" 1
947 1 61 GLN H 1 61 GLN HG2 4.600 . 4.600 2.930 1.987 3.745 . 0 0 "[ . 1 . 2]" 1
948 1 61 GLN H 1 64 ASP QB 4.600 . 5.600 3.072 2.421 3.630 . 0 0 "[ . 1 . 2]" 1
949 1 62 PRO HA 1 64 ASP H 4.600 . 4.600 3.745 3.563 4.417 . 0 0 "[ . 1 . 2]" 1
950 1 63 GLY H 1 64 ASP H 4.600 . 4.600 2.315 1.987 2.488 . 0 0 "[ . 1 . 2]" 1
951 1 64 ASP HA 1 100 GLU H 5.600 . 5.600 5.449 5.192 5.666 0.066 5 0 "[ . 1 . 2]" 1
952 1 64 ASP HB2 1 97 ILE HB 5.600 . 5.600 3.845 2.637 4.662 . 0 0 "[ . 1 . 2]" 1
953 1 64 ASP HB3 1 97 ILE HB 5.600 . 5.600 3.744 2.514 4.819 . 0 0 "[ . 1 . 2]" 1
954 1 64 ASP HB3 1 97 ILE MD 5.600 . 6.100 3.680 2.672 4.299 . 0 0 "[ . 1 . 2]" 1
955 1 64 ASP HB2 1 97 ILE MD 5.600 . 6.100 3.705 2.945 4.626 . 0 0 "[ . 1 . 2]" 1
956 1 64 ASP QB 1 97 ILE QG 5.600 . 7.600 4.630 4.037 5.242 . 0 0 "[ . 1 . 2]" 1
957 1 64 ASP QB 1 98 VAL H 5.600 . 6.600 4.073 3.461 4.869 . 0 0 "[ . 1 . 2]" 1
958 1 64 ASP H 1 64 ASP HB3 3.700 . 3.700 2.956 2.600 3.631 . 0 0 "[ . 1 . 2]" 1
959 1 64 ASP H 1 64 ASP HB2 3.700 . 3.700 2.854 2.122 3.651 . 0 0 "[ . 1 . 2]" 1
960 1 65 LYS HA 1 66 ILE H 3.100 . 3.100 2.157 2.136 2.190 . 0 0 "[ . 1 . 2]" 1
961 1 65 LYS HB3 1 98 VAL H 5.600 . 5.600 3.581 3.185 4.033 . 0 0 "[ . 1 . 2]" 1
962 1 65 LYS HB2 1 98 VAL H 5.600 . 5.600 4.970 4.676 5.439 . 0 0 "[ . 1 . 2]" 1
963 1 65 LYS HB3 1 100 GLU HG3 5.600 . 5.600 5.112 4.604 5.620 0.020 2 0 "[ . 1 . 2]" 1
964 1 65 LYS HB2 1 100 GLU HG3 5.600 . 5.600 4.830 4.016 5.544 . 0 0 "[ . 1 . 2]" 1
965 1 65 LYS HB3 1 100 GLU HG2 5.600 . 5.600 5.309 4.365 5.635 0.035 4 0 "[ . 1 . 2]" 1
966 1 65 LYS HB2 1 100 GLU HG2 5.600 . 5.600 5.237 4.044 5.608 0.008 5 0 "[ . 1 . 2]" 1
967 1 65 LYS HD3 1 67 ILE MD 5.600 . 6.100 2.795 2.234 3.465 . 0 0 "[ . 1 . 2]" 1
968 1 65 LYS HD2 1 67 ILE MD 5.600 . 6.100 4.135 3.641 4.972 . 0 0 "[ . 1 . 2]" 1
969 1 65 LYS HD2 1 100 GLU HG2 5.600 . 5.600 5.031 4.283 5.605 0.005 12 0 "[ . 1 . 2]" 1
970 1 65 LYS HD2 1 100 GLU HG3 5.600 . 5.600 4.936 4.226 5.600 0.000 12 0 "[ . 1 . 2]" 1
971 1 65 LYS HD3 1 100 GLU HG3 5.600 . 5.600 5.001 4.131 5.607 0.007 12 0 "[ . 1 . 2]" 1
972 1 65 LYS HD3 1 100 GLU HG2 5.600 . 5.600 4.876 3.923 5.453 . 0 0 "[ . 1 . 2]" 1
973 1 65 LYS HE2 1 67 ILE MD 5.600 . 6.100 3.565 2.449 4.489 . 0 0 "[ . 1 . 2]" 1
974 1 65 LYS HE3 1 67 ILE MD 5.600 . 6.100 3.710 2.158 4.863 . 0 0 "[ . 1 . 2]" 1
975 1 65 LYS HE2 1 75 ILE MD 5.600 . 6.100 3.216 2.262 4.216 . 0 0 "[ . 1 . 2]" 1
976 1 65 LYS HE3 1 75 ILE MD 5.600 . 6.100 3.288 2.317 4.336 . 0 0 "[ . 1 . 2]" 1
977 1 65 LYS QG 1 67 ILE MD 5.600 . 7.100 2.534 2.067 4.011 . 0 0 "[ . 1 . 2]" 1
978 1 65 LYS QG 1 67 ILE H 4.600 . 5.600 4.524 4.318 4.709 . 0 0 "[ . 1 . 2]" 1
979 1 65 LYS QG 1 98 VAL H 5.600 . 6.600 5.021 4.614 5.405 . 0 0 "[ . 1 . 2]" 1
980 1 65 LYS H 1 98 VAL H 4.600 . 4.600 3.171 2.741 3.614 . 0 0 "[ . 1 . 2]" 1
981 1 66 ILE HA 1 67 ILE QG 5.600 . 6.600 3.609 3.534 3.728 . 0 0 "[ . 1 . 2]" 1
982 1 66 ILE HA 1 68 GLN H 4.600 . 4.600 3.950 3.676 4.100 . 0 0 "[ . 1 . 2]" 1
983 1 66 ILE HA 1 97 ILE HA 4.600 . 4.600 2.901 2.486 3.189 . 0 0 "[ . 1 . 2]" 1
984 1 66 ILE HA 1 97 ILE HB 5.600 . 5.600 4.411 3.838 4.845 . 0 0 "[ . 1 . 2]" 1
985 1 66 ILE HA 1 97 ILE QG 5.600 . 6.600 5.340 4.917 5.611 . 0 0 "[ . 1 . 2]" 1
986 1 66 ILE HA 1 97 ILE MG 5.600 . 6.100 2.564 2.061 3.196 . 0 0 "[ . 1 . 2]" 1
987 1 66 ILE HA 1 97 ILE H 5.600 . 5.600 5.221 4.864 5.536 . 0 0 "[ . 1 . 2]" 1
988 1 66 ILE HA 1 98 VAL H 5.600 . 5.600 4.584 4.242 5.028 . 0 0 "[ . 1 . 2]" 1
989 1 66 ILE HB 1 74 PHE HB3 5.600 . 5.600 3.584 3.052 3.960 . 0 0 "[ . 1 . 2]" 1
990 1 66 ILE HB 1 74 PHE HB2 5.600 . 5.600 3.889 3.350 4.194 . 0 0 "[ . 1 . 2]" 1
991 1 66 ILE MD 1 95 LEU HB3 5.600 . 6.100 4.534 3.706 5.190 . 0 0 "[ . 1 . 2]" 1
992 1 66 ILE MG 1 67 ILE HA 5.600 . 6.100 4.120 3.911 4.441 . 0 0 "[ . 1 . 2]" 1
993 1 66 ILE MG 1 67 ILE H 5.600 . 6.100 2.932 2.767 3.105 . 0 0 "[ . 1 . 2]" 1
994 1 66 ILE MG 1 68 GLN H 5.600 . 6.100 2.936 2.729 3.155 . 0 0 "[ . 1 . 2]" 1
995 1 66 ILE MG 1 69 ALA HA 5.600 . 6.100 4.245 3.850 4.487 . 0 0 "[ . 1 . 2]" 1
996 1 66 ILE MG 1 69 ALA MB 5.600 . 6.600 2.922 2.710 3.182 . 0 0 "[ . 1 . 2]" 1
997 1 66 ILE MG 1 74 PHE HB2 5.600 . 6.100 2.844 2.468 3.222 . 0 0 "[ . 1 . 2]" 1
998 1 66 ILE MG 1 74 PHE HB3 5.600 . 6.100 3.505 3.105 3.907 . 0 0 "[ . 1 . 2]" 1
999 1 66 ILE MG 1 74 PHE H 5.600 . 6.100 4.561 4.279 4.872 . 0 0 "[ . 1 . 2]" 1
1000 1 66 ILE MG 1 86 LEU MD1 5.600 . 6.600 3.846 3.542 4.164 . 0 0 "[ . 1 . 2]" 1
1001 1 66 ILE MG 1 95 LEU HA 5.600 . 6.100 4.027 3.563 4.484 . 0 0 "[ . 1 . 2]" 1
1002 1 66 ILE MG 1 95 LEU MD1 5.600 . 6.600 3.965 1.784 4.622 0.116 17 0 "[ . 1 . 2]" 1
1003 1 66 ILE MG 1 95 LEU MD2 5.600 . 6.600 2.428 1.947 4.052 . 0 0 "[ . 1 . 2]" 1
1004 1 66 ILE MG 1 95 LEU HG 5.600 . 6.100 4.349 3.610 5.077 . 0 0 "[ . 1 . 2]" 1
1005 1 66 ILE MG 1 96 ILE H 5.600 . 6.100 3.174 2.780 3.609 . 0 0 "[ . 1 . 2]" 1
1006 1 66 ILE MG 1 97 ILE HA 5.600 . 6.100 4.307 4.009 4.826 . 0 0 "[ . 1 . 2]" 1
1007 1 66 ILE H 1 66 ILE MD 5.600 . 6.100 3.085 1.953 3.691 . 0 0 "[ . 1 . 2]" 1
1008 1 66 ILE H 1 97 ILE HA 5.600 . 5.600 5.120 4.914 5.387 . 0 0 "[ . 1 . 2]" 1
1009 1 67 ILE HA 1 74 PHE HB3 5.600 . 5.600 4.511 3.722 5.058 . 0 0 "[ . 1 . 2]" 1
1010 1 67 ILE HA 1 74 PHE HB2 5.600 . 5.600 3.716 3.038 4.234 . 0 0 "[ . 1 . 2]" 1
1011 1 67 ILE HA 1 74 PHE H 5.600 . 5.600 4.055 3.525 4.643 . 0 0 "[ . 1 . 2]" 1
1012 1 67 ILE HA 1 75 ILE QG 5.600 . 6.600 4.726 2.941 5.985 . 0 0 "[ . 1 . 2]" 1
1013 1 67 ILE MD 1 68 GLN H 5.600 . 6.100 4.573 4.476 4.788 . 0 0 "[ . 1 . 2]" 1
1014 1 67 ILE MD 1 75 ILE MD 5.600 . 6.600 3.072 2.132 3.922 . 0 0 "[ . 1 . 2]" 1
1015 1 67 ILE MD 1 98 VAL MG1 5.600 . 6.600 3.902 3.082 4.315 . 0 0 "[ . 1 . 2]" 1
1016 1 67 ILE QG 1 68 GLN QB 5.600 . 7.600 4.917 4.799 5.100 . 0 0 "[ . 1 . 2]" 1
1017 1 67 ILE QG 1 68 GLN H 4.600 . 5.600 3.846 3.763 4.031 . 0 0 "[ . 1 . 2]" 1
1018 1 67 ILE QG 1 96 ILE HB 4.600 . 5.600 4.107 3.342 4.780 . 0 0 "[ . 1 . 2]" 1
1019 1 67 ILE QG 1 96 ILE MG 5.600 . 7.100 3.339 2.714 3.962 . 0 0 "[ . 1 . 2]" 1
1020 1 67 ILE QG 1 97 ILE HA 5.600 . 6.600 2.973 2.514 3.501 . 0 0 "[ . 1 . 2]" 1
1021 1 67 ILE QG 1 97 ILE H 5.600 . 6.600 4.753 4.299 5.540 . 0 0 "[ . 1 . 2]" 1
1022 1 67 ILE QG 1 98 VAL H 5.600 . 6.600 3.688 3.262 4.232 . 0 0 "[ . 1 . 2]" 1
1023 1 67 ILE MG 1 68 GLN H 5.600 . 6.100 3.694 3.599 3.861 . 0 0 "[ . 1 . 2]" 1
1024 1 67 ILE H 1 67 ILE HB 3.700 . 3.700 2.671 2.585 2.725 . 0 0 "[ . 1 . 2]" 1
1025 1 67 ILE H 1 67 ILE MD 5.600 . 6.100 3.206 3.029 3.798 . 0 0 "[ . 1 . 2]" 1
1026 1 67 ILE H 1 68 GLN HA 5.600 . 5.600 4.929 4.790 5.003 . 0 0 "[ . 1 . 2]" 1
1027 1 67 ILE H 1 68 GLN H 3.700 . 3.700 2.349 2.107 2.470 . 0 0 "[ . 1 . 2]" 1
1028 1 67 ILE H 1 96 ILE HB 4.600 . 4.600 3.496 2.946 4.055 . 0 0 "[ . 1 . 2]" 1
1029 1 67 ILE H 1 96 ILE QG 5.600 . 6.600 5.211 4.544 5.813 . 0 0 "[ . 1 . 2]" 1
1030 1 67 ILE H 1 96 ILE H 5.600 . 5.600 4.158 3.670 4.642 . 0 0 "[ . 1 . 2]" 1
1031 1 67 ILE H 1 97 ILE HA 5.600 . 5.600 3.016 2.601 3.488 . 0 0 "[ . 1 . 2]" 1
1032 1 67 ILE H 1 98 VAL H 5.600 . 5.600 4.847 4.339 5.377 . 0 0 "[ . 1 . 2]" 1
1033 1 68 GLN HA 1 69 ALA H 3.100 . 3.100 2.261 2.214 2.324 . 0 0 "[ . 1 . 2]" 1
1034 1 68 GLN HA 1 73 SER HA 3.700 . 3.700 2.667 2.065 3.124 . 0 0 "[ . 1 . 2]" 1
1035 1 68 GLN HA 1 73 SER HB2 5.600 . 5.600 5.265 4.926 5.646 0.046 14 0 "[ . 1 . 2]" 1
1036 1 68 GLN HA 1 73 SER HB3 5.600 . 5.600 5.159 4.103 5.647 0.047 17 0 "[ . 1 . 2]" 1
1037 1 68 GLN HA 1 73 SER H 5.600 . 5.600 4.966 4.659 5.379 . 0 0 "[ . 1 . 2]" 1
1038 1 68 GLN HA 1 74 PHE HB3 5.600 . 5.600 4.934 4.535 5.462 . 0 0 "[ . 1 . 2]" 1
1039 1 68 GLN HA 1 74 PHE HB2 5.600 . 5.600 3.210 2.797 3.757 . 0 0 "[ . 1 . 2]" 1
1040 1 68 GLN HA 1 74 PHE H 4.600 . 4.600 2.560 2.162 3.048 . 0 0 "[ . 1 . 2]" 1
1041 1 68 GLN HA 1 75 ILE H 5.600 . 5.600 5.089 4.610 5.602 0.002 3 0 "[ . 1 . 2]" 1
1042 1 68 GLN QB 1 71 GLY QA 5.600 . 7.600 4.495 3.703 5.222 . 0 0 "[ . 1 . 2]" 1
1043 1 68 GLN QB 1 72 TYR H 5.600 . 6.600 4.822 3.712 5.686 . 0 0 "[ . 1 . 2]" 1
1044 1 68 GLN QB 1 73 SER HA 4.600 . 5.600 3.655 2.893 4.210 . 0 0 "[ . 1 . 2]" 1
1045 1 68 GLN HB2 1 96 ILE HB 4.600 . 4.600 3.055 2.148 3.919 . 0 0 "[ . 1 . 2]" 1
1046 1 68 GLN HB3 1 96 ILE HB 4.600 . 4.600 3.230 2.462 4.075 . 0 0 "[ . 1 . 2]" 1
1047 1 68 GLN QB 1 96 ILE MG 5.600 . 7.100 3.337 2.876 3.662 . 0 0 "[ . 1 . 2]" 1
1048 1 68 GLN HB2 1 96 ILE H 5.600 . 5.600 4.767 4.034 5.557 . 0 0 "[ . 1 . 2]" 1
1049 1 68 GLN HB3 1 96 ILE H 5.600 . 5.600 4.288 3.720 5.003 . 0 0 "[ . 1 . 2]" 1
1050 1 68 GLN HE21 1 71 GLY HA3 5.600 . 5.600 5.305 4.432 5.657 0.057 11 0 "[ . 1 . 2]" 1
1051 1 68 GLN HE21 1 71 GLY HA2 5.600 . 5.600 3.644 2.832 4.143 . 0 0 "[ . 1 . 2]" 1
1052 1 68 GLN HE21 1 71 GLY H 4.600 . 4.600 3.733 2.512 4.403 . 0 0 "[ . 1 . 2]" 1
1053 1 68 GLN HE21 1 96 ILE MG 5.600 . 6.100 4.838 4.088 5.067 . 0 0 "[ . 1 . 2]" 1
1054 1 68 GLN H 1 74 PHE H 5.600 . 5.600 4.543 4.200 4.897 . 0 0 "[ . 1 . 2]" 1
1055 1 68 GLN H 1 96 ILE QG 5.600 . 6.600 3.729 2.953 4.688 . 0 0 "[ . 1 . 2]" 1
1056 1 68 GLN H 1 96 ILE MG 5.600 . 6.100 3.743 3.500 4.003 . 0 0 "[ . 1 . 2]" 1
1057 1 68 GLN H 1 96 ILE H 4.600 . 4.600 3.049 2.651 3.423 . 0 0 "[ . 1 . 2]" 1
1058 1 68 GLN H 1 97 ILE HA 5.600 . 5.600 4.798 4.395 5.260 . 0 0 "[ . 1 . 2]" 1
1059 1 69 ALA HA 1 71 GLY H 5.600 . 5.600 3.887 3.766 4.060 . 0 0 "[ . 1 . 2]" 1
1060 1 69 ALA HA 1 86 LEU MD2 5.600 . 6.100 4.924 4.434 5.073 . 0 0 "[ . 1 . 2]" 1
1061 1 69 ALA HA 1 95 LEU HB3 5.600 . 5.600 4.329 3.917 5.034 . 0 0 "[ . 1 . 2]" 1
1062 1 69 ALA MB 1 72 TYR HB3 5.600 . 6.100 4.145 3.392 4.755 . 0 0 "[ . 1 . 2]" 1
1063 1 69 ALA MB 1 72 TYR HB2 5.600 . 6.100 3.335 2.756 4.310 . 0 0 "[ . 1 . 2]" 1
1064 1 69 ALA MB 1 74 PHE QB 5.600 . 7.100 4.045 3.311 4.558 . 0 0 "[ . 1 . 2]" 1
1065 1 69 ALA MB 1 86 LEU HG 5.600 . 6.100 3.901 3.626 4.274 . 0 0 "[ . 1 . 2]" 1
1066 1 69 ALA H 1 69 ALA HA 3.100 . 3.100 2.930 2.912 2.947 . 0 0 "[ . 1 . 2]" 1
1067 1 69 ALA H 1 71 GLY H 4.600 . 4.600 3.632 3.451 3.884 . 0 0 "[ . 1 . 2]" 1
1068 1 69 ALA H 1 72 TYR HB3 5.600 . 5.600 4.384 3.726 4.966 . 0 0 "[ . 1 . 2]" 1
1069 1 69 ALA H 1 72 TYR HB2 5.600 . 5.600 3.771 2.977 4.706 . 0 0 "[ . 1 . 2]" 1
1070 1 69 ALA H 1 72 TYR H 4.600 . 4.600 3.013 2.461 3.442 . 0 0 "[ . 1 . 2]" 1
1071 1 69 ALA H 1 96 ILE H 5.600 . 5.600 5.036 4.777 5.284 . 0 0 "[ . 1 . 2]" 1
1072 1 70 ASN HA 1 72 TYR H 5.600 . 5.600 4.496 4.345 4.638 . 0 0 "[ . 1 . 2]" 1
1073 1 70 ASN HA 1 94 GLU HB3 5.600 . 5.600 4.570 3.162 5.252 . 0 0 "[ . 1 . 2]" 1
1074 1 70 ASN HA 1 94 GLU HB2 5.600 . 5.600 3.617 2.752 4.753 . 0 0 "[ . 1 . 2]" 1
1075 1 70 ASN HA 1 94 GLU QG 5.600 . 6.600 5.028 2.258 5.778 . 0 0 "[ . 1 . 2]" 1
1076 1 70 ASN HA 1 94 GLU H 5.600 . 5.600 4.114 3.574 4.490 . 0 0 "[ . 1 . 2]" 1
1077 1 70 ASN HB2 1 72 TYR H 5.600 . 5.600 3.863 3.563 4.164 . 0 0 "[ . 1 . 2]" 1
1078 1 70 ASN HB2 1 89 PHE HZ 5.600 . 5.600 2.666 2.284 3.085 . 0 0 "[ . 1 . 2]" 1
1079 1 70 ASN HD22 1 89 PHE HB3 5.600 . 5.600 3.361 2.845 3.725 . 0 0 "[ . 1 . 2]" 1
1080 1 70 ASN HD22 1 89 PHE HB2 5.600 . 5.600 4.732 4.202 5.053 . 0 0 "[ . 1 . 2]" 1
1081 1 70 ASN HD22 1 90 GLN H 5.600 . 5.600 4.428 3.706 5.559 . 0 0 "[ . 1 . 2]" 1
1082 1 70 ASN HD22 1 93 VAL HA 4.600 . 4.600 2.373 2.023 2.750 . 0 0 "[ . 1 . 2]" 1
1083 1 70 ASN HD22 1 93 VAL MG1 5.600 . 6.100 2.634 1.980 3.153 . 0 0 "[ . 1 . 2]" 1
1084 1 70 ASN HD22 1 93 VAL MG2 5.600 . 6.100 3.249 2.742 3.867 . 0 0 "[ . 1 . 2]" 1
1085 1 70 ASN HD22 1 94 GLU H 5.600 . 5.600 3.064 2.612 3.499 . 0 0 "[ . 1 . 2]" 1
1086 1 70 ASN H 1 94 GLU QB 5.600 . 6.600 3.484 2.797 4.462 . 0 0 "[ . 1 . 2]" 1
1087 1 70 ASN H 1 94 GLU QG 5.600 . 6.600 5.269 2.882 5.865 . 0 0 "[ . 1 . 2]" 1
1088 1 70 ASN H 1 94 GLU H 5.600 . 5.600 3.956 3.412 4.407 . 0 0 "[ . 1 . 2]" 1
1089 1 70 ASN H 1 96 ILE H 5.600 . 5.600 5.097 4.645 5.590 . 0 0 "[ . 1 . 2]" 1
1090 1 72 TYR HA 1 85 LEU MD1 5.600 . 6.100 4.549 4.318 4.928 . 0 0 "[ . 1 . 2]" 1
1091 1 72 TYR HB3 1 85 LEU MD1 5.600 . 6.100 2.398 2.159 2.871 . 0 0 "[ . 1 . 2]" 1
1092 1 72 TYR HB2 1 85 LEU MD1 5.600 . 6.100 2.901 2.694 3.328 . 0 0 "[ . 1 . 2]" 1
1093 1 72 TYR HB3 1 85 LEU MD2 5.600 . 6.100 3.954 3.698 4.275 . 0 0 "[ . 1 . 2]" 1
1094 1 72 TYR HB2 1 85 LEU MD2 5.600 . 6.100 4.008 3.673 4.355 . 0 0 "[ . 1 . 2]" 1
1095 1 72 TYR QB 1 89 PHE HZ 4.600 . 5.600 3.119 2.575 3.642 . 0 0 "[ . 1 . 2]" 1
1096 1 72 TYR H 1 85 LEU MD1 5.600 . 6.100 4.906 4.788 4.979 . 0 0 "[ . 1 . 2]" 1
1097 1 73 SER HA 1 74 PHE H 3.100 . 3.100 2.171 2.134 2.283 . 0 0 "[ . 1 . 2]" 1
1098 1 73 SER HA 1 75 ILE H 5.600 . 5.600 3.731 3.447 3.999 . 0 0 "[ . 1 . 2]" 1
1099 1 73 SER QB 1 75 ILE H 5.600 . 6.600 2.964 2.539 3.778 . 0 0 "[ . 1 . 2]" 1
1100 1 73 SER H 1 73 SER HB3 3.700 . 3.700 3.011 2.521 3.603 . 0 0 "[ . 1 . 2]" 1
1101 1 73 SER H 1 73 SER HB2 3.700 . 3.700 2.819 2.200 3.633 . 0 0 "[ . 1 . 2]" 1
1102 1 74 PHE HA 1 77 ILE MD 5.600 . 6.100 2.093 1.942 2.292 . 0 0 "[ . 1 . 2]" 1
1103 1 74 PHE HA 1 77 ILE MG 5.600 . 6.100 2.927 2.648 3.098 . 0 0 "[ . 1 . 2]" 1
1104 1 74 PHE HA 1 77 ILE H 5.600 . 5.600 5.266 4.470 5.633 0.033 4 0 "[ . 1 . 2]" 1
1105 1 74 PHE HB3 1 77 ILE MD 5.600 . 6.100 2.956 2.547 3.170 . 0 0 "[ . 1 . 2]" 1
1106 1 74 PHE HB2 1 77 ILE MD 5.600 . 6.100 4.012 3.721 4.146 . 0 0 "[ . 1 . 2]" 1
1107 1 74 PHE HB3 1 77 ILE MG 5.600 . 6.100 4.863 4.577 4.972 . 0 0 "[ . 1 . 2]" 1
1108 1 74 PHE H 1 75 ILE HB 5.600 . 5.600 4.542 4.283 5.013 . 0 0 "[ . 1 . 2]" 1
1109 1 74 PHE H 1 75 ILE H 3.700 . 3.700 2.614 2.502 2.771 . 0 0 "[ . 1 . 2]" 1
1110 1 74 PHE H 1 77 ILE MD 5.600 . 6.100 4.555 4.380 4.797 . 0 0 "[ . 1 . 2]" 1
1111 1 74 PHE H 1 77 ILE MG 5.600 . 6.100 4.825 4.610 4.970 . 0 0 "[ . 1 . 2]" 1
1112 1 74 PHE HZ 1 85 LEU HA 5.600 . 5.600 5.203 4.806 5.605 0.005 8 0 "[ . 1 . 2]" 1
1113 1 74 PHE HZ 1 85 LEU MD2 5.600 . 6.100 4.762 4.412 5.091 . 0 0 "[ . 1 . 2]" 1
1114 1 74 PHE HZ 1 86 LEU HA 5.600 . 5.600 4.214 3.851 4.527 . 0 0 "[ . 1 . 2]" 1
1115 1 74 PHE HZ 1 86 LEU H 5.600 . 5.600 3.515 3.154 3.946 . 0 0 "[ . 1 . 2]" 1
1116 1 75 ILE HA 1 77 ILE H 5.600 . 5.600 4.252 3.352 4.748 . 0 0 "[ . 1 . 2]" 1
1117 1 75 ILE HB 1 76 ASN H 4.600 . 4.600 4.192 3.872 4.363 . 0 0 "[ . 1 . 2]" 1
1118 1 75 ILE QG 1 76 ASN H 4.600 . 5.600 3.412 2.276 4.773 . 0 0 "[ . 1 . 2]" 1
1119 1 75 ILE MG 1 76 ASN HD22 5.600 . 6.100 4.164 2.413 5.197 . 0 0 "[ . 1 . 2]" 1
1120 1 75 ILE MG 1 76 ASN H 4.600 . 5.100 3.490 2.248 4.076 . 0 0 "[ . 1 . 2]" 1
1121 1 75 ILE H 1 75 ILE HB 3.700 . 3.700 2.713 2.331 2.860 . 0 0 "[ . 1 . 2]" 1
1122 1 75 ILE H 1 75 ILE QG 3.700 . 4.700 3.472 2.226 4.086 . 0 0 "[ . 1 . 2]" 1
1123 1 75 ILE H 1 77 ILE MG 5.600 . 6.100 3.566 3.214 3.804 . 0 0 "[ . 1 . 2]" 1
1124 1 76 ASN HA 1 77 ILE MG 5.600 . 6.100 4.380 4.176 4.825 . 0 0 "[ . 1 . 2]" 1
1125 1 76 ASN H 1 76 ASN HA 3.100 . 3.100 2.271 2.266 2.276 . 0 0 "[ . 1 . 2]" 1
1126 1 76 ASN H 1 77 ILE MG 5.600 . 6.100 4.185 4.058 4.463 . 0 0 "[ . 1 . 2]" 1
1127 1 76 ASN H 1 77 ILE H 4.600 . 4.600 2.967 2.707 3.122 . 0 0 "[ . 1 . 2]" 1
1128 1 77 ILE HA 1 81 GLN HB2 5.600 . 5.600 5.236 4.726 5.593 . 0 0 "[ . 1 . 2]" 1
1129 1 77 ILE HA 1 81 GLN HB3 5.600 . 5.600 4.845 4.457 5.108 . 0 0 "[ . 1 . 2]" 1
1130 1 77 ILE HB 1 78 GLU H 3.700 . 3.700 2.422 2.255 2.713 . 0 0 "[ . 1 . 2]" 1
1131 1 77 ILE HB 1 81 GLN HB2 5.600 . 5.600 3.719 3.194 4.033 . 0 0 "[ . 1 . 2]" 1
1132 1 77 ILE HB 1 81 GLN HB3 5.600 . 5.600 2.707 2.431 2.912 . 0 0 "[ . 1 . 2]" 1
1133 1 77 ILE HB 1 81 GLN H 5.600 . 5.600 4.933 4.692 5.122 . 0 0 "[ . 1 . 2]" 1
1134 1 77 ILE HB 1 82 ALA H 5.600 . 5.600 4.465 4.211 4.697 . 0 0 "[ . 1 . 2]" 1
1135 1 77 ILE MD 1 78 GLU H 5.600 . 6.100 4.045 3.820 4.408 . 0 0 "[ . 1 . 2]" 1
1136 1 77 ILE MD 1 81 GLN HA 5.600 . 6.100 4.891 4.764 4.938 . 0 0 "[ . 1 . 2]" 1
1137 1 77 ILE MD 1 81 GLN HB2 5.600 . 6.100 4.143 3.792 4.352 . 0 0 "[ . 1 . 2]" 1
1138 1 77 ILE MD 1 81 GLN HB3 5.600 . 6.100 2.679 2.559 2.797 . 0 0 "[ . 1 . 2]" 1
1139 1 77 ILE MD 1 81 GLN H 5.600 . 6.100 4.476 4.307 4.636 . 0 0 "[ . 1 . 2]" 1
1140 1 77 ILE MD 1 82 ALA HA 5.600 . 6.100 2.746 2.525 2.867 . 0 0 "[ . 1 . 2]" 1
1141 1 77 ILE MD 1 82 ALA MB 5.600 . 6.600 2.018 1.865 2.227 0.035 3 0 "[ . 1 . 2]" 1
1142 1 77 ILE MD 1 82 ALA H 5.600 . 6.100 2.900 2.724 3.060 . 0 0 "[ . 1 . 2]" 1
1143 1 77 ILE MD 1 85 LEU HB2 5.600 . 6.100 4.736 4.414 4.974 . 0 0 "[ . 1 . 2]" 1
1144 1 77 ILE QG 1 78 GLU H 4.600 . 5.600 3.729 3.606 3.962 . 0 0 "[ . 1 . 2]" 1
1145 1 77 ILE QG 1 81 GLN HB3 5.600 . 6.600 4.064 3.843 4.263 . 0 0 "[ . 1 . 2]" 1
1146 1 77 ILE QG 1 81 GLN HB2 5.600 . 6.600 5.199 4.570 5.545 . 0 0 "[ . 1 . 2]" 1
1147 1 77 ILE QG 1 81 GLN H 5.600 . 6.600 5.480 5.303 5.614 . 0 0 "[ . 1 . 2]" 1
1148 1 77 ILE QG 1 82 ALA HA 5.600 . 6.600 4.779 4.467 4.962 . 0 0 "[ . 1 . 2]" 1
1149 1 77 ILE QG 1 82 ALA MB 5.600 . 7.100 3.177 2.764 3.406 . 0 0 "[ . 1 . 2]" 1
1150 1 77 ILE QG 1 82 ALA H 5.600 . 6.600 4.350 4.071 4.595 . 0 0 "[ . 1 . 2]" 1
1151 1 77 ILE QG 1 85 LEU MD1 5.600 . 7.100 5.179 5.027 5.238 . 0 0 "[ . 1 . 2]" 1
1152 1 77 ILE MG 1 78 GLU H 5.600 . 6.100 3.581 3.523 3.648 . 0 0 "[ . 1 . 2]" 1
1153 1 77 ILE MG 1 81 GLN HB3 5.600 . 6.100 3.960 3.622 4.165 . 0 0 "[ . 1 . 2]" 1
1154 1 77 ILE MG 1 81 GLN HB2 5.600 . 6.100 4.831 4.430 5.054 . 0 0 "[ . 1 . 2]" 1
1155 1 77 ILE MG 1 85 LEU MD1 5.600 . 6.600 4.197 3.873 4.382 . 0 0 "[ . 1 . 2]" 1
1156 1 77 ILE H 1 77 ILE MD 5.600 . 6.100 4.008 3.762 4.151 . 0 0 "[ . 1 . 2]" 1
1157 1 78 GLU HA 1 80 GLY H 5.600 . 5.600 4.548 4.333 4.727 . 0 0 "[ . 1 . 2]" 1
1158 1 78 GLU HA 1 81 GLN H 5.600 . 5.600 4.632 4.519 4.726 . 0 0 "[ . 1 . 2]" 1
1159 1 78 GLU HB3 1 79 HIS H 4.600 . 4.600 2.861 2.650 3.108 . 0 0 "[ . 1 . 2]" 1
1160 1 78 GLU HB3 1 80 GLY H 5.600 . 5.600 3.256 3.022 3.405 . 0 0 "[ . 1 . 2]" 1
1161 1 78 GLU HB2 1 80 GLY H 5.600 . 5.600 4.054 3.859 4.259 . 0 0 "[ . 1 . 2]" 1
1162 1 78 GLU H 1 81 GLN QB 5.600 . 6.600 2.925 2.571 3.164 . 0 0 "[ . 1 . 2]" 1
1163 1 78 GLU H 1 81 GLN H 5.600 . 5.600 4.312 4.074 4.521 . 0 0 "[ . 1 . 2]" 1
1164 1 79 HIS HA 1 81 GLN H 5.600 . 5.600 4.073 3.975 4.243 . 0 0 "[ . 1 . 2]" 1
1165 1 79 HIS HA 1 82 ALA MB 5.600 . 6.100 2.942 2.754 3.194 . 0 0 "[ . 1 . 2]" 1
1166 1 79 HIS HA 1 82 ALA H 5.600 . 5.600 3.463 3.333 3.622 . 0 0 "[ . 1 . 2]" 1
1167 1 79 HIS HA 1 83 VAL MG2 5.600 . 6.100 3.807 3.485 4.006 . 0 0 "[ . 1 . 2]" 1
1168 1 79 HIS HA 1 83 VAL H 5.600 . 5.600 4.274 3.924 4.526 . 0 0 "[ . 1 . 2]" 1
1169 1 79 HIS HD2 1 80 GLY H 5.600 . 5.600 4.404 3.598 5.470 . 0 0 "[ . 1 . 2]" 1
1170 1 79 HIS HD2 1 83 VAL MG2 5.600 . 6.100 2.821 1.938 4.129 . 0 0 "[ . 1 . 2]" 1
1171 1 79 HIS HD2 1 83 VAL H 5.600 . 5.600 4.635 2.977 5.563 . 0 0 "[ . 1 . 2]" 1
1172 1 79 HIS HE1 1 83 VAL MG2 5.600 . 6.100 4.031 3.532 4.762 . 0 0 "[ . 1 . 2]" 1
1173 1 79 HIS HE1 2 4 GLU HA 4.600 . 4.600 3.795 2.868 4.533 . 0 0 "[ . 1 . 2]" 1
1174 1 79 HIS HE1 2 5 THR HB 4.600 . 4.600 3.827 3.071 4.325 . 0 0 "[ . 1 . 2]" 1
1175 1 79 HIS HE1 2 5 THR MG 5.600 . 6.100 4.743 3.981 5.117 . 0 0 "[ . 1 . 2]" 1
1176 1 79 HIS HE1 2 5 THR H 4.600 . 4.600 3.823 3.030 4.606 0.006 3 0 "[ . 1 . 2]" 1
1177 1 79 HIS H 1 80 GLY H 4.600 . 4.600 3.015 2.971 3.134 . 0 0 "[ . 1 . 2]" 1
1178 1 79 HIS H 1 81 GLN H 5.600 . 5.600 4.178 4.089 4.371 . 0 0 "[ . 1 . 2]" 1
1179 1 80 GLY QA 1 81 GLN HA 5.600 . 6.600 4.042 4.033 4.058 . 0 0 "[ . 1 . 2]" 1
1180 1 80 GLY HA3 1 82 ALA H 5.600 . 5.600 4.865 4.711 4.946 . 0 0 "[ . 1 . 2]" 1
1181 1 80 GLY HA2 1 82 ALA H 5.600 . 5.600 4.444 4.289 4.591 . 0 0 "[ . 1 . 2]" 1
1182 1 80 GLY HA3 1 83 VAL HB 5.600 . 5.600 4.722 4.389 5.016 . 0 0 "[ . 1 . 2]" 1
1183 1 80 GLY HA2 1 83 VAL HB 5.600 . 5.600 3.095 2.794 3.321 . 0 0 "[ . 1 . 2]" 1
1184 1 80 GLY QA 1 83 VAL MG2 5.600 . 7.100 3.096 2.890 3.557 . 0 0 "[ . 1 . 2]" 1
1185 1 80 GLY HA2 1 83 VAL H 5.600 . 5.600 3.642 3.449 4.141 . 0 0 "[ . 1 . 2]" 1
1186 1 80 GLY HA3 1 83 VAL H 5.600 . 5.600 4.921 4.709 5.416 . 0 0 "[ . 1 . 2]" 1
1187 1 80 GLY QA 1 84 SER H 5.600 . 6.600 3.722 3.483 3.928 . 0 0 "[ . 1 . 2]" 1
1188 1 80 GLY H 1 81 GLN H 4.600 . 4.600 2.777 2.680 2.840 . 0 0 "[ . 1 . 2]" 1
1189 1 80 GLY H 1 82 ALA H 5.600 . 5.600 4.397 4.303 4.468 . 0 0 "[ . 1 . 2]" 1
1190 1 81 GLN HA 1 81 GLN HE22 5.600 . 5.600 4.448 3.468 5.838 0.238 10 0 "[ . 1 . 2]" 1
1191 1 81 GLN HA 1 83 VAL H 5.600 . 5.600 4.614 4.272 5.210 . 0 0 "[ . 1 . 2]" 1
1192 1 81 GLN HA 1 84 SER HB3 4.600 . 4.600 3.512 2.510 4.605 0.005 2 0 "[ . 1 . 2]" 1
1193 1 81 GLN HA 1 84 SER HB2 4.600 . 4.600 3.422 2.680 4.279 . 0 0 "[ . 1 . 2]" 1
1194 1 81 GLN HA 1 84 SER H 4.600 . 4.600 3.724 3.418 4.040 . 0 0 "[ . 1 . 2]" 1
1195 1 81 GLN HA 1 85 LEU MD1 5.600 . 6.100 4.637 4.317 4.919 . 0 0 "[ . 1 . 2]" 1
1196 1 81 GLN HA 1 85 LEU H 5.600 . 5.600 4.119 3.710 4.298 . 0 0 "[ . 1 . 2]" 1
1197 1 81 GLN QB 1 82 ALA HA 5.600 . 6.600 3.908 3.805 4.018 . 0 0 "[ . 1 . 2]" 1
1198 1 81 GLN QB 1 82 ALA MB 5.600 . 7.100 3.744 3.663 3.821 . 0 0 "[ . 1 . 2]" 1
1199 1 81 GLN HB2 1 84 SER QB 5.600 . 6.600 5.228 4.970 5.555 . 0 0 "[ . 1 . 2]" 1
1200 1 81 GLN HB3 1 84 SER QB 5.600 . 6.600 5.327 4.922 5.818 . 0 0 "[ . 1 . 2]" 1
1201 1 81 GLN HB3 1 85 LEU MD1 5.600 . 6.100 4.208 3.695 4.646 . 0 0 "[ . 1 . 2]" 1
1202 1 81 GLN QB 1 85 LEU H 5.600 . 6.600 5.259 4.835 5.414 . 0 0 "[ . 1 . 2]" 1
1203 1 81 GLN H 1 81 GLN HB3 3.700 . 3.700 2.826 2.628 3.285 . 0 0 "[ . 1 . 2]" 1
1204 1 81 GLN H 1 81 GLN HB2 3.700 . 3.700 2.307 2.069 2.492 . 0 0 "[ . 1 . 2]" 1
1205 1 81 GLN H 1 82 ALA MB 5.600 . 6.100 4.206 4.135 4.340 . 0 0 "[ . 1 . 2]" 1
1206 1 81 GLN H 1 82 ALA H 3.700 . 3.700 2.517 2.435 2.673 . 0 0 "[ . 1 . 2]" 1
1207 1 81 GLN H 1 83 VAL H 5.600 . 5.600 4.136 3.952 4.629 . 0 0 "[ . 1 . 2]" 1
1208 1 81 GLN H 1 84 SER H 5.600 . 5.600 4.711 4.531 4.811 . 0 0 "[ . 1 . 2]" 1
1209 1 82 ALA HA 1 84 SER H 5.600 . 5.600 4.586 4.033 4.758 . 0 0 "[ . 1 . 2]" 1
1210 1 82 ALA HA 1 85 LEU HB3 5.600 . 5.600 4.556 4.315 4.786 . 0 0 "[ . 1 . 2]" 1
1211 1 82 ALA HA 1 85 LEU HB2 5.600 . 5.600 2.976 2.829 3.150 . 0 0 "[ . 1 . 2]" 1
1212 1 82 ALA HA 1 85 LEU HG 5.600 . 5.600 4.112 3.838 4.470 . 0 0 "[ . 1 . 2]" 1
1213 1 82 ALA HA 1 86 LEU MD1 5.600 . 6.100 4.586 4.283 4.928 . 0 0 "[ . 1 . 2]" 1
1214 1 82 ALA HA 1 86 LEU HG 5.600 . 5.600 4.515 4.275 4.822 . 0 0 "[ . 1 . 2]" 1
1215 1 82 ALA MB 1 83 VAL HA 5.600 . 6.100 3.826 3.719 3.877 . 0 0 "[ . 1 . 2]" 1
1216 1 82 ALA MB 1 84 SER H 5.600 . 6.100 4.544 4.116 4.711 . 0 0 "[ . 1 . 2]" 1
1217 1 82 ALA MB 1 85 LEU H 5.600 . 6.100 4.764 4.609 4.892 . 0 0 "[ . 1 . 2]" 1
1218 1 82 ALA H 1 83 VAL H 3.700 . 3.700 2.689 2.591 2.912 . 0 0 "[ . 1 . 2]" 1
1219 1 82 ALA H 1 84 SER H 5.600 . 5.600 4.150 3.828 4.250 . 0 0 "[ . 1 . 2]" 1
1220 1 82 ALA H 1 85 LEU H 5.600 . 5.600 4.822 4.750 4.927 . 0 0 "[ . 1 . 2]" 1
1221 1 83 VAL HA 1 85 LEU H 5.600 . 5.600 4.413 4.256 4.605 . 0 0 "[ . 1 . 2]" 1
1222 1 83 VAL HA 1 86 LEU HB3 5.600 . 5.600 4.430 4.142 4.696 . 0 0 "[ . 1 . 2]" 1
1223 1 83 VAL HA 1 86 LEU HB2 5.600 . 5.600 2.862 2.527 3.053 . 0 0 "[ . 1 . 2]" 1
1224 1 83 VAL HA 1 86 LEU MD1 5.600 . 6.100 3.185 2.866 3.441 . 0 0 "[ . 1 . 2]" 1
1225 1 83 VAL HA 1 86 LEU HG 5.600 . 5.600 4.477 4.156 4.851 . 0 0 "[ . 1 . 2]" 1
1226 1 83 VAL HA 1 86 LEU H 4.600 . 4.600 3.600 3.292 3.808 . 0 0 "[ . 1 . 2]" 1
1227 1 83 VAL HA 1 87 LYS H 5.600 . 5.600 4.163 3.942 4.612 . 0 0 "[ . 1 . 2]" 1
1228 1 83 VAL HA 2 5 THR HB 5.600 . 5.600 5.452 5.089 5.670 0.070 13 0 "[ . 1 . 2]" 1
1229 1 83 VAL HA 2 5 THR MG 5.600 . 6.100 4.821 4.648 4.961 . 0 0 "[ . 1 . 2]" 1
1230 1 83 VAL HA 2 7 VAL HB 5.600 . 5.600 4.685 4.303 5.000 . 0 0 "[ . 1 . 2]" 1
1231 1 83 VAL HA 2 7 VAL MG1 4.600 . 5.100 2.558 2.231 2.845 . 0 0 "[ . 1 . 2]" 1
1232 1 83 VAL HA 2 7 VAL MG2 5.600 . 6.100 4.807 4.617 4.989 . 0 0 "[ . 1 . 2]" 1
1233 1 83 VAL HB 1 84 SER H 3.700 . 3.700 2.583 2.486 3.090 . 0 0 "[ . 1 . 2]" 1
1234 1 83 VAL HB 2 5 THR MG 5.600 . 6.100 4.139 4.003 4.303 . 0 0 "[ . 1 . 2]" 1
1235 1 83 VAL HB 2 7 VAL MG1 5.600 . 6.100 4.337 4.162 4.533 . 0 0 "[ . 1 . 2]" 1
1236 1 83 VAL MG1 1 84 SER H 5.600 . 6.100 3.608 3.536 3.972 . 0 0 "[ . 1 . 2]" 1
1237 1 83 VAL MG1 1 87 LYS HB3 5.600 . 6.100 4.676 4.445 4.866 . 0 0 "[ . 1 . 2]" 1
1238 1 83 VAL MG1 1 87 LYS HB2 5.600 . 6.100 3.864 3.564 4.217 . 0 0 "[ . 1 . 2]" 1
1239 1 83 VAL MG1 1 87 LYS HG3 5.600 . 6.100 2.434 2.029 2.883 . 0 0 "[ . 1 . 2]" 1
1240 1 83 VAL MG1 1 87 LYS HG2 5.600 . 6.100 3.303 2.503 4.015 . 0 0 "[ . 1 . 2]" 1
1241 1 83 VAL MG1 2 5 THR HB 5.600 . 6.100 3.538 3.085 3.796 . 0 0 "[ . 1 . 2]" 1
1242 1 83 VAL MG1 2 5 THR MG 4.600 . 5.600 2.343 2.130 2.560 . 0 0 "[ . 1 . 2]" 1
1243 1 83 VAL MG1 2 7 VAL HA 5.600 . 6.100 3.495 3.130 3.856 . 0 0 "[ . 1 . 2]" 1
1244 1 83 VAL MG1 2 7 VAL MG1 4.600 . 5.600 1.962 1.894 2.105 0.006 13 0 "[ . 1 . 2]" 1
1245 1 83 VAL MG1 2 7 VAL MG2 5.600 . 6.600 4.392 4.309 4.457 . 0 0 "[ . 1 . 2]" 1
1246 1 83 VAL MG2 1 84 SER H 5.600 . 6.100 3.695 3.638 3.875 . 0 0 "[ . 1 . 2]" 1
1247 1 83 VAL MG2 2 5 THR HB 3.700 . 4.200 2.808 2.550 3.138 . 0 0 "[ . 1 . 2]" 1
1248 1 83 VAL MG2 2 5 THR MG 4.600 . 5.600 2.589 2.403 2.735 . 0 0 "[ . 1 . 2]" 1
1249 1 83 VAL MG2 2 7 VAL MG1 5.600 . 6.600 3.016 2.860 3.308 . 0 0 "[ . 1 . 2]" 1
1250 1 83 VAL H 1 83 VAL HB 3.100 . 3.100 2.658 2.602 2.763 . 0 0 "[ . 1 . 2]" 1
1251 1 83 VAL H 1 84 SER H 3.100 . 3.100 2.637 2.497 2.908 . 0 0 "[ . 1 . 2]" 1
1252 1 83 VAL H 2 7 VAL MG1 5.600 . 6.100 4.767 4.499 5.063 . 0 0 "[ . 1 . 2]" 1
1253 1 84 SER HA 1 86 LEU H 5.600 . 5.600 4.623 4.460 4.750 . 0 0 "[ . 1 . 2]" 1
1254 1 84 SER HA 1 87 LYS HB3 4.600 . 4.600 4.472 4.272 4.582 . 0 0 "[ . 1 . 2]" 1
1255 1 84 SER HA 1 87 LYS HB2 4.600 . 4.600 2.872 2.733 2.952 . 0 0 "[ . 1 . 2]" 1
1256 1 84 SER HA 1 87 LYS HG3 5.600 . 5.600 3.842 3.165 4.624 . 0 0 "[ . 1 . 2]" 1
1257 1 84 SER HA 1 87 LYS HG2 5.600 . 5.600 4.917 4.023 5.592 . 0 0 "[ . 1 . 2]" 1
1258 1 84 SER HA 1 87 LYS H 5.600 . 5.600 3.671 3.552 3.783 . 0 0 "[ . 1 . 2]" 1
1259 1 84 SER HA 1 88 THR H 5.600 . 5.600 4.126 3.919 4.358 . 0 0 "[ . 1 . 2]" 1
1260 1 84 SER QB 1 85 LEU HA 5.600 . 6.600 4.042 3.854 4.409 . 0 0 "[ . 1 . 2]" 1
1261 1 84 SER HB2 1 85 LEU HG 5.600 . 5.600 4.733 3.649 5.494 . 0 0 "[ . 1 . 2]" 1
1262 1 84 SER HB3 1 85 LEU HG 5.600 . 5.600 4.114 3.370 5.099 . 0 0 "[ . 1 . 2]" 1
1263 1 84 SER H 1 85 LEU HB2 5.600 . 5.600 4.710 4.464 4.905 . 0 0 "[ . 1 . 2]" 1
1264 1 84 SER H 1 85 LEU HG 5.600 . 5.600 4.891 4.621 5.236 . 0 0 "[ . 1 . 2]" 1
1265 1 84 SER H 1 86 LEU H 5.600 . 5.600 4.311 4.056 4.432 . 0 0 "[ . 1 . 2]" 1
1266 1 84 SER H 1 87 LYS H 5.600 . 5.600 4.850 4.757 4.953 . 0 0 "[ . 1 . 2]" 1
1267 1 85 LEU HA 1 87 LYS H 5.600 . 5.600 4.395 3.763 4.728 . 0 0 "[ . 1 . 2]" 1
1268 1 85 LEU HA 1 88 THR HB 4.600 . 4.600 4.208 4.105 4.338 . 0 0 "[ . 1 . 2]" 1
1269 1 85 LEU HA 1 88 THR MG 5.600 . 6.100 2.048 1.964 2.248 . 0 0 "[ . 1 . 2]" 1
1270 1 85 LEU HA 1 88 THR H 5.600 . 5.600 3.716 3.624 3.845 . 0 0 "[ . 1 . 2]" 1
1271 1 85 LEU HA 1 89 PHE H 5.600 . 5.600 4.517 4.313 4.906 . 0 0 "[ . 1 . 2]" 1
1272 1 85 LEU HB3 1 86 LEU H 4.600 . 4.600 3.327 3.178 3.624 . 0 0 "[ . 1 . 2]" 1
1273 1 85 LEU HB2 1 86 LEU H 4.600 . 4.600 2.611 2.492 2.698 . 0 0 "[ . 1 . 2]" 1
1274 1 85 LEU HB2 1 88 THR MG 5.600 . 6.100 4.496 4.415 4.637 . 0 0 "[ . 1 . 2]" 1
1275 1 85 LEU MD1 1 86 LEU H 5.600 . 6.100 4.542 4.441 4.628 . 0 0 "[ . 1 . 2]" 1
1276 1 85 LEU MD1 1 89 PHE HZ 5.600 . 6.100 3.648 3.248 4.172 . 0 0 "[ . 1 . 2]" 1
1277 1 85 LEU MD2 1 86 LEU H 5.600 . 6.100 4.617 4.577 4.654 . 0 0 "[ . 1 . 2]" 1
1278 1 85 LEU MD2 1 88 THR HB 5.600 . 6.100 4.852 4.787 4.937 . 0 0 "[ . 1 . 2]" 1
1279 1 85 LEU MD2 1 88 THR MG 5.600 . 6.600 2.771 2.577 2.870 . 0 0 "[ . 1 . 2]" 1
1280 1 85 LEU MD2 1 89 PHE HZ 5.600 . 6.100 3.685 2.997 4.387 . 0 0 "[ . 1 . 2]" 1
1281 1 85 LEU HG 1 88 THR MG 5.600 . 6.100 4.430 4.128 4.646 . 0 0 "[ . 1 . 2]" 1
1282 1 85 LEU H 1 85 LEU HB3 3.700 . 3.700 3.544 3.502 3.578 . 0 0 "[ . 1 . 2]" 1
1283 1 85 LEU H 1 85 LEU HB2 3.700 . 3.700 2.289 2.200 2.397 . 0 0 "[ . 1 . 2]" 1
1284 1 85 LEU H 1 85 LEU MD1 5.600 . 6.100 3.756 3.672 3.860 . 0 0 "[ . 1 . 2]" 1
1285 1 85 LEU H 1 85 LEU MD2 5.600 . 6.100 3.588 3.372 3.769 . 0 0 "[ . 1 . 2]" 1
1286 1 85 LEU H 1 85 LEU HG 3.700 . 3.700 2.662 2.425 2.883 . 0 0 "[ . 1 . 2]" 1
1287 1 85 LEU H 1 86 LEU HG 5.600 . 5.600 5.001 4.639 5.295 . 0 0 "[ . 1 . 2]" 1
1288 1 85 LEU H 1 86 LEU H 3.700 . 3.700 2.686 2.514 2.843 . 0 0 "[ . 1 . 2]" 1
1289 1 85 LEU H 1 87 LYS H 5.600 . 5.600 4.108 3.885 4.329 . 0 0 "[ . 1 . 2]" 1
1290 1 85 LEU H 1 88 THR H 5.600 . 5.600 4.869 4.704 4.978 . 0 0 "[ . 1 . 2]" 1
1291 1 86 LEU HA 1 88 THR H 5.600 . 5.600 4.542 4.444 4.666 . 0 0 "[ . 1 . 2]" 1
1292 1 86 LEU HA 1 89 PHE HA 5.600 . 5.600 5.582 5.382 5.645 0.045 10 0 "[ . 1 . 2]" 1
1293 1 86 LEU HA 1 89 PHE HB3 5.600 . 5.600 4.839 4.682 4.948 . 0 0 "[ . 1 . 2]" 1
1294 1 86 LEU HA 1 89 PHE HB2 5.600 . 5.600 3.486 3.292 3.615 . 0 0 "[ . 1 . 2]" 1
1295 1 86 LEU HA 1 89 PHE H 5.600 . 5.600 3.745 3.665 3.851 . 0 0 "[ . 1 . 2]" 1
1296 1 86 LEU HA 1 89 PHE HZ 5.600 . 5.600 4.656 4.168 4.958 . 0 0 "[ . 1 . 2]" 1
1297 1 86 LEU HA 1 93 VAL MG1 5.600 . 6.100 3.771 3.429 4.016 . 0 0 "[ . 1 . 2]" 1
1298 1 86 LEU HA 1 93 VAL MG2 5.600 . 6.100 4.358 4.127 4.674 . 0 0 "[ . 1 . 2]" 1
1299 1 86 LEU HB3 1 87 LYS HA 5.600 . 5.600 4.161 4.062 4.499 . 0 0 "[ . 1 . 2]" 1
1300 1 86 LEU HB3 2 7 VAL HB 4.600 . 4.600 2.895 2.573 3.147 . 0 0 "[ . 1 . 2]" 1
1301 1 86 LEU HB3 2 7 VAL MG1 5.600 . 6.100 3.032 2.792 3.450 . 0 0 "[ . 1 . 2]" 1
1302 1 86 LEU HB3 2 7 VAL MG2 5.600 . 6.100 3.049 2.782 3.323 . 0 0 "[ . 1 . 2]" 1
1303 1 86 LEU HB2 2 7 VAL HB 4.600 . 4.600 3.542 3.095 3.814 . 0 0 "[ . 1 . 2]" 1
1304 1 86 LEU HB2 2 7 VAL MG1 5.600 . 6.100 2.655 2.433 2.967 . 0 0 "[ . 1 . 2]" 1
1305 1 86 LEU HB2 2 7 VAL MG2 5.600 . 6.100 3.823 3.509 3.973 . 0 0 "[ . 1 . 2]" 1
1306 1 86 LEU MD1 1 87 LYS H 5.600 . 6.100 4.731 4.460 5.181 . 0 0 "[ . 1 . 2]" 1
1307 1 86 LEU MD1 2 7 VAL HB 5.600 . 6.100 3.529 3.204 3.802 . 0 0 "[ . 1 . 2]" 1
1308 1 86 LEU MD1 2 7 VAL MG1 5.600 . 6.600 2.239 1.970 2.468 . 0 0 "[ . 1 . 2]" 1
1309 1 86 LEU MD1 2 7 VAL MG2 5.600 . 6.600 2.270 2.079 2.514 . 0 0 "[ . 1 . 2]" 1
1310 1 86 LEU MD2 1 87 LYS H 5.600 . 6.100 4.714 4.628 4.860 . 0 0 "[ . 1 . 2]" 1
1311 1 86 LEU MD2 1 89 PHE HB3 5.600 . 6.100 4.945 4.861 4.983 . 0 0 "[ . 1 . 2]" 1
1312 1 86 LEU MD2 1 89 PHE HB2 5.600 . 6.100 4.108 3.959 4.176 . 0 0 "[ . 1 . 2]" 1
1313 1 86 LEU MD2 2 7 VAL HB 5.600 . 6.100 4.423 4.223 4.827 . 0 0 "[ . 1 . 2]" 1
1314 1 86 LEU MD2 2 7 VAL MG1 5.600 . 6.600 4.095 3.909 4.366 . 0 0 "[ . 1 . 2]" 1
1315 1 86 LEU MD2 2 7 VAL MG2 5.600 . 6.600 3.430 3.206 3.875 . 0 0 "[ . 1 . 2]" 1
1316 1 86 LEU HG 1 87 LYS H 5.600 . 5.600 4.740 4.518 4.954 . 0 0 "[ . 1 . 2]" 1
1317 1 86 LEU HG 2 7 VAL MG1 5.600 . 6.100 4.248 3.970 4.447 . 0 0 "[ . 1 . 2]" 1
1318 1 86 LEU HG 2 7 VAL MG2 5.600 . 6.100 4.780 4.489 4.863 . 0 0 "[ . 1 . 2]" 1
1319 1 86 LEU H 1 86 LEU HB2 3.700 . 3.700 2.256 2.166 2.330 . 0 0 "[ . 1 . 2]" 1
1320 1 86 LEU H 1 86 LEU MD1 5.600 . 6.100 3.638 3.538 3.746 . 0 0 "[ . 1 . 2]" 1
1321 1 86 LEU H 1 86 LEU MD2 5.600 . 6.100 3.759 3.545 3.882 . 0 0 "[ . 1 . 2]" 1
1322 1 86 LEU H 1 86 LEU HG 3.700 . 3.700 2.717 2.532 2.933 . 0 0 "[ . 1 . 2]" 1
1323 1 86 LEU H 1 87 LYS H 4.600 . 4.600 2.681 2.645 2.712 . 0 0 "[ . 1 . 2]" 1
1324 1 86 LEU H 1 88 THR H 4.600 . 4.600 4.302 4.219 4.419 . 0 0 "[ . 1 . 2]" 1
1325 1 87 LYS HA 2 7 VAL HA 5.600 . 5.600 5.215 4.696 5.566 . 0 0 "[ . 1 . 2]" 1
1326 1 87 LYS HA 2 7 VAL HB 5.600 . 5.600 4.160 3.786 4.534 . 0 0 "[ . 1 . 2]" 1
1327 1 87 LYS HA 2 7 VAL MG1 5.600 . 6.100 4.719 4.311 4.954 . 0 0 "[ . 1 . 2]" 1
1328 1 87 LYS HB3 1 88 THR HA 5.600 . 5.600 4.237 4.103 4.374 . 0 0 "[ . 1 . 2]" 1
1329 1 87 LYS HB3 1 88 THR HB 5.600 . 5.600 4.979 4.759 5.164 . 0 0 "[ . 1 . 2]" 1
1330 1 87 LYS HB3 1 88 THR H 4.600 . 4.600 3.575 3.370 3.704 . 0 0 "[ . 1 . 2]" 1
1331 1 87 LYS HB2 1 88 THR HA 5.600 . 5.600 4.459 4.277 4.602 . 0 0 "[ . 1 . 2]" 1
1332 1 87 LYS HB2 1 88 THR HB 5.600 . 5.600 4.352 4.203 4.495 . 0 0 "[ . 1 . 2]" 1
1333 1 87 LYS HB2 1 88 THR MG 5.600 . 6.100 4.311 4.140 4.469 . 0 0 "[ . 1 . 2]" 1
1334 1 87 LYS HB2 1 88 THR H 4.600 . 4.600 2.750 2.636 2.868 . 0 0 "[ . 1 . 2]" 1
1335 1 87 LYS HB2 1 89 PHE H 5.600 . 5.600 5.065 4.957 5.173 . 0 0 "[ . 1 . 2]" 1
1336 1 87 LYS HG3 1 88 THR H 5.600 . 5.600 4.744 4.607 4.911 . 0 0 "[ . 1 . 2]" 1
1337 1 87 LYS HG2 1 88 THR H 5.600 . 5.600 4.794 4.400 5.193 . 0 0 "[ . 1 . 2]" 1
1338 1 87 LYS QG 2 5 THR MG 5.600 . 7.100 4.866 4.353 5.199 . 0 0 "[ . 1 . 2]" 1
1339 1 87 LYS HG3 2 7 VAL HA 5.600 . 5.600 4.116 3.190 5.105 . 0 0 "[ . 1 . 2]" 1
1340 1 87 LYS HG2 2 7 VAL HA 5.600 . 5.600 3.594 3.091 4.141 . 0 0 "[ . 1 . 2]" 1
1341 1 87 LYS HG2 2 7 VAL HB 5.600 . 5.600 3.457 2.993 4.187 . 0 0 "[ . 1 . 2]" 1
1342 1 87 LYS HG3 2 7 VAL HB 5.600 . 5.600 4.194 3.206 5.481 . 0 0 "[ . 1 . 2]" 1
1343 1 87 LYS HG2 2 7 VAL MG1 5.600 . 6.100 3.327 2.426 4.240 . 0 0 "[ . 1 . 2]" 1
1344 1 87 LYS HG3 2 7 VAL MG1 5.600 . 6.100 3.367 2.687 4.211 . 0 0 "[ . 1 . 2]" 1
1345 1 87 LYS QG 2 7 VAL MG2 5.600 . 7.100 4.493 4.121 4.998 . 0 0 "[ . 1 . 2]" 1
1346 1 87 LYS H 1 87 LYS HB3 3.700 . 3.700 3.571 3.535 3.634 . 0 0 "[ . 1 . 2]" 1
1347 1 87 LYS H 1 87 LYS HG2 4.600 . 4.600 3.114 2.230 3.964 . 0 0 "[ . 1 . 2]" 1
1348 1 87 LYS H 1 87 LYS HG3 4.600 . 4.600 3.050 2.553 3.750 . 0 0 "[ . 1 . 2]" 1
1349 1 87 LYS H 1 88 THR H 3.700 . 3.700 2.598 2.086 2.853 . 0 0 "[ . 1 . 2]" 1
1350 1 87 LYS H 1 89 PHE H 5.600 . 5.600 4.076 3.587 4.220 . 0 0 "[ . 1 . 2]" 1
1351 1 87 LYS H 2 7 VAL MG1 5.600 . 6.100 4.168 3.841 4.808 . 0 0 "[ . 1 . 2]" 1
1352 1 88 THR MG 1 89 PHE HA 5.600 . 6.100 3.255 3.181 3.338 . 0 0 "[ . 1 . 2]" 1
1353 1 88 THR MG 1 89 PHE H 5.600 . 6.100 2.304 2.051 2.570 . 0 0 "[ . 1 . 2]" 1
1354 1 88 THR H 1 89 PHE HB2 5.600 . 5.600 4.847 4.754 5.020 . 0 0 "[ . 1 . 2]" 1
1355 1 88 THR H 1 89 PHE H 3.700 . 3.700 2.652 2.596 2.726 . 0 0 "[ . 1 . 2]" 1
1356 1 89 PHE HA 1 90 GLN H 3.100 . 3.100 2.380 2.126 2.546 . 0 0 "[ . 1 . 2]" 1
1357 1 89 PHE HA 1 93 VAL MG2 5.600 . 6.100 4.640 4.332 4.848 . 0 0 "[ . 1 . 2]" 1
1358 1 89 PHE HB3 1 93 VAL MG1 5.600 . 6.100 3.369 3.088 3.808 . 0 0 "[ . 1 . 2]" 1
1359 1 89 PHE HB2 1 93 VAL MG1 5.600 . 6.100 3.601 3.290 3.949 . 0 0 "[ . 1 . 2]" 1
1360 1 89 PHE HB3 1 93 VAL MG2 5.600 . 6.100 2.374 2.049 2.641 . 0 0 "[ . 1 . 2]" 1
1361 1 89 PHE HB2 1 93 VAL MG2 5.600 . 6.100 2.780 2.559 2.945 . 0 0 "[ . 1 . 2]" 1
1362 1 89 PHE HB3 1 90 GLN H 4.600 . 4.600 2.433 2.068 3.327 . 0 0 "[ . 1 . 2]" 1
1363 1 89 PHE H 1 89 PHE HB2 3.700 . 3.700 2.446 2.387 2.526 . 0 0 "[ . 1 . 2]" 1
1364 1 89 PHE H 1 93 VAL MG2 5.600 . 6.100 4.845 4.706 4.972 . 0 0 "[ . 1 . 2]" 1
1365 1 90 GLN HA 1 91 ASN H 4.600 . 4.600 3.225 3.129 3.591 . 0 0 "[ . 1 . 2]" 1
1366 1 90 GLN HB3 1 91 ASN H 4.600 . 4.600 2.379 2.000 3.517 . 0 0 "[ . 1 . 2]" 1
1367 1 90 GLN HB2 1 91 ASN H 4.600 . 4.600 2.528 2.006 3.522 . 0 0 "[ . 1 . 2]" 1
1368 1 90 GLN HB3 1 92 THR H 5.600 . 5.600 4.642 3.511 5.648 0.048 2 0 "[ . 1 . 2]" 1
1369 1 90 GLN HB2 1 92 THR H 5.600 . 5.600 4.377 3.794 5.613 0.013 9 0 "[ . 1 . 2]" 1
1370 1 90 GLN H 1 93 VAL MG2 5.600 . 6.100 4.051 3.568 4.944 . 0 0 "[ . 1 . 2]" 1
1371 1 91 ASN QB 1 92 THR HB 5.600 . 6.600 4.846 4.555 5.042 . 0 0 "[ . 1 . 2]" 1
1372 1 91 ASN HB3 1 92 THR MG 5.600 . 6.100 4.204 3.322 4.948 . 0 0 "[ . 1 . 2]" 1
1373 1 91 ASN HB2 1 92 THR MG 5.600 . 6.100 4.375 3.567 5.008 . 0 0 "[ . 1 . 2]" 1
1374 1 91 ASN H 1 91 ASN HA 3.100 . 3.100 2.877 2.861 2.947 . 0 0 "[ . 1 . 2]" 1
1375 1 91 ASN H 1 91 ASN HD22 5.600 . 5.600 4.450 3.589 5.864 0.264 5 0 "[ . 1 . 2]" 1
1376 1 92 THR HA 1 93 VAL MG2 5.600 . 6.100 3.379 3.171 3.483 . 0 0 "[ . 1 . 2]" 1
1377 1 92 THR HB 1 94 GLU QG 5.600 . 6.600 4.426 3.519 5.931 . 0 0 "[ . 1 . 2]" 1
1378 1 92 THR MG 1 94 GLU QG 5.600 . 7.100 4.584 3.755 5.120 . 0 0 "[ . 1 . 2]" 1
1379 1 92 THR H 1 92 THR HB 3.700 . 3.700 3.287 2.928 3.578 . 0 0 "[ . 1 . 2]" 1
1380 1 93 VAL HA 1 94 GLU H 3.100 . 3.100 2.148 2.133 2.170 . 0 0 "[ . 1 . 2]" 1
1381 1 93 VAL MG1 1 94 GLU HA 5.600 . 6.100 4.055 3.937 4.135 . 0 0 "[ . 1 . 2]" 1
1382 1 93 VAL MG1 1 94 GLU H 5.600 . 6.100 2.864 2.630 3.027 . 0 0 "[ . 1 . 2]" 1
1383 1 93 VAL MG1 1 95 LEU HB3 5.600 . 6.100 4.764 4.495 5.060 . 0 0 "[ . 1 . 2]" 1
1384 1 93 VAL MG1 1 95 LEU HB2 5.600 . 6.100 4.499 4.235 4.758 . 0 0 "[ . 1 . 2]" 1
1385 1 93 VAL MG1 1 95 LEU HG 4.600 . 5.100 2.499 2.121 3.836 . 0 0 "[ . 1 . 2]" 1
1386 1 93 VAL MG2 1 94 GLU H 5.600 . 6.100 4.223 4.164 4.268 . 0 0 "[ . 1 . 2]" 1
1387 1 94 GLU HA 1 95 LEU HB2 5.600 . 5.600 4.599 4.327 4.914 . 0 0 "[ . 1 . 2]" 1
1388 1 94 GLU HA 1 95 LEU H 3.100 . 3.100 2.167 2.125 2.260 . 0 0 "[ . 1 . 2]" 1
1389 1 95 LEU HB3 1 96 ILE H 4.600 . 4.600 2.675 2.393 2.888 . 0 0 "[ . 1 . 2]" 1
1390 1 95 LEU HG 1 96 ILE H 5.600 . 5.600 4.477 3.864 4.904 . 0 0 "[ . 1 . 2]" 1
1391 1 96 ILE QG 1 97 ILE H 5.600 . 6.600 4.518 4.116 4.825 . 0 0 "[ . 1 . 2]" 1
1392 1 96 ILE MG 1 97 ILE H 5.600 . 6.100 2.679 2.487 2.809 . 0 0 "[ . 1 . 2]" 1
1393 1 96 ILE H 1 96 ILE MD 5.600 . 6.100 3.595 2.310 4.055 . 0 0 "[ . 1 . 2]" 1
1394 1 97 ILE HA 1 98 VAL MG2 5.600 . 6.100 3.149 3.063 3.268 . 0 0 "[ . 1 . 2]" 1
1395 1 97 ILE MD 1 99 ARG HD3 5.600 . 6.100 3.944 3.127 5.019 . 0 0 "[ . 1 . 2]" 1
1396 1 97 ILE MD 1 99 ARG HD2 5.600 . 6.100 3.979 2.951 4.749 . 0 0 "[ . 1 . 2]" 1
1397 1 97 ILE QG 1 98 VAL H 5.600 . 6.600 3.599 3.348 3.769 . 0 0 "[ . 1 . 2]" 1
1398 1 98 VAL HA 1 99 ARG H 3.100 . 3.100 2.267 2.197 2.322 . 0 0 "[ . 1 . 2]" 1
1399 1 98 VAL MG1 1 99 ARG HA 5.600 . 6.100 3.725 3.640 3.851 . 0 0 "[ . 1 . 2]" 1
1400 1 98 VAL MG1 1 99 ARG H 5.600 . 6.100 2.076 1.968 2.306 . 0 0 "[ . 1 . 2]" 1
1401 1 98 VAL MG1 1 100 GLU QG 5.600 . 7.100 3.786 2.834 4.408 . 0 0 "[ . 1 . 2]" 1
1402 1 98 VAL MG2 1 99 ARG H 5.600 . 6.100 3.932 3.842 4.014 . 0 0 "[ . 1 . 2]" 1
1403 1 99 ARG HA 1 99 ARG HE 5.600 . 5.600 4.623 3.142 5.299 . 0 0 "[ . 1 . 2]" 1
1404 1 99 ARG HD2 1 100 GLU H 5.600 . 5.600 4.819 3.953 5.483 . 0 0 "[ . 1 . 2]" 1
1405 1 99 ARG H 1 99 ARG QD 5.600 . 6.600 3.559 2.362 4.130 . 0 0 "[ . 1 . 2]" 1
1406 1 100 GLU HA 1 101 VAL MG2 5.600 . 6.100 3.545 3.307 3.704 . 0 0 "[ . 1 . 2]" 1
1407 1 100 GLU HG3 1 101 VAL H 5.600 . 5.600 5.075 4.387 5.571 . 0 0 "[ . 1 . 2]" 1
1408 1 100 GLU HG2 1 101 VAL H 5.600 . 5.600 4.646 4.105 5.482 . 0 0 "[ . 1 . 2]" 1
1409 1 101 VAL HB 1 102 SER H 4.600 . 4.600 3.506 2.010 4.415 . 0 0 "[ . 1 . 2]" 1
1410 1 101 VAL MG1 1 102 SER H 5.600 . 6.100 3.333 2.013 4.077 . 0 0 "[ . 1 . 2]" 1
1411 1 101 VAL MG2 1 102 SER H 5.600 . 6.100 4.023 3.279 4.318 . 0 0 "[ . 1 . 2]" 1
1412 1 102 SER HA 1 103 SER H 3.100 . 3.100 2.363 2.139 2.878 . 0 0 "[ . 1 . 2]" 1
1413 2 3 TRP HA 2 3 TRP HE3 5.600 . 5.600 4.304 2.013 4.645 . 0 0 "[ . 1 . 2]" 1
1414 2 3 TRP HE3 2 4 GLU HG2 5.600 . 5.600 4.576 3.177 5.534 . 0 0 "[ . 1 . 2]" 1
1415 2 3 TRP HE3 2 4 GLU HG3 5.600 . 5.600 5.334 4.407 5.614 0.014 2 0 "[ . 1 . 2]" 1
1416 2 3 TRP HZ3 2 4 GLU HA 5.600 . 5.600 4.067 3.573 4.883 . 0 0 "[ . 1 . 2]" 1
1417 2 3 TRP HZ3 2 4 GLU QG 5.600 . 6.600 4.589 3.200 5.382 . 0 0 "[ . 1 . 2]" 1
1418 2 4 GLU HG2 2 5 THR H 5.600 . 5.600 4.595 2.842 5.366 . 0 0 "[ . 1 . 2]" 1
1419 2 4 GLU HG3 2 5 THR H 5.600 . 5.600 4.235 3.686 5.056 . 0 0 "[ . 1 . 2]" 1
1420 2 4 GLU QG 2 6 TRP HD1 5.600 . 6.600 3.879 3.071 4.580 . 0 0 "[ . 1 . 2]" 1
1421 2 4 GLU QG 2 6 TRP HE1 5.600 . 6.600 3.472 2.846 4.075 . 0 0 "[ . 1 . 2]" 1
1422 2 4 GLU H 2 4 GLU HG2 3.700 . 3.700 2.319 2.007 3.671 . 0 0 "[ . 1 . 2]" 1
1423 2 4 GLU H 2 4 GLU HG3 3.700 . 3.700 3.141 2.016 3.784 0.084 15 0 "[ . 1 . 2]" 1
1424 2 5 THR HA 2 6 TRP HD1 5.600 . 5.600 3.921 3.519 4.199 . 0 0 "[ . 1 . 2]" 1
1425 2 5 THR MG 2 6 TRP H 5.600 . 6.100 2.889 2.629 3.386 . 0 0 "[ . 1 . 2]" 1
1426 2 5 THR MG 2 7 VAL MG1 5.600 . 6.600 3.257 2.999 3.417 . 0 0 "[ . 1 . 2]" 1
1427 2 6 TRP HA 2 7 VAL H 3.100 . 3.100 2.148 2.119 2.175 . 0 0 "[ . 1 . 2]" 1
1428 2 6 TRP HE3 2 7 VAL H 5.600 . 5.600 4.052 3.538 4.327 . 0 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 216
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 30.420
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 1.448 0.181 9 0 "[ . 1 . 2]"
1 19 LYS 0.026 0.026 11 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.026 0.026 11 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 TYR 0.047 0.047 2 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.047 0.047 2 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 1.448 0.181 9 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 VAL 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 10 LYS QB 1 101 VAL MG2 5.600 . 6.100 3.869 2.931 4.556 . 0 0 "[ . 1 . 2]" 2
2 1 10 LYS QB 1 101 VAL H 5.600 . 5.600 4.806 4.245 5.042 . 0 0 "[ . 1 . 2]" 2
3 1 10 LYS QD 1 101 VAL MG2 5.600 . 6.100 3.342 1.975 4.462 . 0 0 "[ . 1 . 2]" 2
4 1 10 LYS QD 1 101 VAL H 5.600 . 5.600 3.276 2.083 4.994 . 0 0 "[ . 1 . 2]" 2
5 1 10 LYS QE 1 100 GLU HA 5.600 . 5.600 3.547 2.228 4.871 . 0 0 "[ . 1 . 2]" 2
6 1 10 LYS H 1 10 LYS QD 5.600 . 5.600 3.949 1.934 4.979 . 0 0 "[ . 1 . 2]" 2
7 1 11 GLN QG 1 13 ILE MD 5.600 . 6.100 3.618 2.147 4.508 . 0 0 "[ . 1 . 2]" 2
8 1 11 GLN QG 1 13 ILE MG 5.600 . 6.100 3.537 2.456 4.533 . 0 0 "[ . 1 . 2]" 2
9 1 11 GLN QG 1 99 ARG H 5.600 . 5.600 3.778 1.968 5.087 . 0 0 "[ . 1 . 2]" 2
10 1 14 ARG QD 1 94 GLU QB 5.600 . 6.600 2.779 2.006 4.393 . 0 0 "[ . 1 . 2]" 2
11 1 14 ARG QD 1 94 GLU HG3 5.600 . 5.600 4.329 2.812 5.005 . 0 0 "[ . 1 . 2]" 2
12 1 14 ARG QD 1 94 GLU HG2 5.600 . 5.600 3.710 2.372 5.004 . 0 0 "[ . 1 . 2]" 2
13 1 14 ARG QD 1 96 ILE MD 5.600 . 6.100 3.299 2.215 4.288 . 0 0 "[ . 1 . 2]" 2
14 1 14 ARG QD 1 96 ILE QG 5.600 . 6.600 3.832 1.911 5.200 . 0 0 "[ . 1 . 2]" 2
15 1 16 ARG H 1 16 ARG QD 5.600 . 5.600 4.293 2.076 4.918 . 0 0 "[ . 1 . 2]" 2
16 1 17 VAL HB 1 25 PHE QE 5.600 . 5.600 3.605 3.092 4.049 . 0 0 "[ . 1 . 2]" 2
17 1 17 VAL MG1 1 25 PHE QD 5.600 . 6.100 3.268 2.771 3.878 . 0 0 "[ . 1 . 2]" 2
18 1 17 VAL MG1 1 25 PHE QE 5.600 . 6.100 2.455 2.130 2.895 . 0 0 "[ . 1 . 2]" 2
19 1 17 VAL MG2 1 25 PHE QE 5.600 . 6.100 2.513 2.228 2.949 . 0 0 "[ . 1 . 2]" 2
20 1 18 GLU HA 1 19 LYS QB 5.600 . 5.600 4.119 3.914 4.423 . 0 0 "[ . 1 . 2]" 2
21 1 18 GLU QG 1 92 THR HA 5.600 . 5.600 2.791 2.129 3.183 . 0 0 "[ . 1 . 2]" 2
22 1 18 GLU QG 1 92 THR HB 5.600 . 5.600 4.080 3.807 4.348 . 0 0 "[ . 1 . 2]" 2
23 1 18 GLU QG 1 92 THR MG 5.600 . 6.100 1.833 1.719 1.993 0.181 9 0 "[ . 1 . 2]" 2
24 1 19 LYS QB 1 20 ASP HA 5.600 . 5.600 4.174 3.972 4.410 . 0 0 "[ . 1 . 2]" 2
25 1 19 LYS QB 1 21 PRO HA 5.600 . 5.600 4.691 4.230 5.004 . 0 0 "[ . 1 . 2]" 2
26 1 19 LYS QB 1 91 ASN HA 5.600 . 5.600 2.227 1.992 2.633 . 0 0 "[ . 1 . 2]" 2
27 1 19 LYS QD 1 22 GLU HA 4.600 . 4.600 2.566 2.039 2.982 . 0 0 "[ . 1 . 2]" 2
28 1 19 LYS QD 1 22 GLU QG 5.600 . 5.600 4.124 3.592 4.459 . 0 0 "[ . 1 . 2]" 2
29 1 19 LYS QD 1 22 GLU H 5.600 . 5.600 4.881 4.409 5.034 . 0 0 "[ . 1 . 2]" 2
30 1 19 LYS QD 1 23 LEU HA 5.600 . 5.600 3.253 2.509 4.143 . 0 0 "[ . 1 . 2]" 2
31 1 19 LYS QD 1 23 LEU QB 5.600 . 5.600 3.730 3.374 4.109 . 0 0 "[ . 1 . 2]" 2
32 1 19 LYS QD 1 23 LEU MD1 5.600 . 6.100 1.982 1.874 2.413 0.026 11 0 "[ . 1 . 2]" 2
33 1 19 LYS QD 1 23 LEU H 5.600 . 5.600 2.594 2.320 2.801 . 0 0 "[ . 1 . 2]" 2
34 1 19 LYS QB 1 91 ASN H 5.600 . 5.600 4.719 4.497 5.000 . 0 0 "[ . 1 . 2]" 2
35 1 19 LYS QD 1 93 VAL MG2 5.600 . 6.100 3.727 3.392 4.189 . 0 0 "[ . 1 . 2]" 2
36 1 19 LYS QG 1 91 ASN HA 5.600 . 5.600 3.802 2.789 4.460 . 0 0 "[ . 1 . 2]" 2
37 1 19 LYS H 1 19 LYS QD 5.600 . 5.600 4.025 3.126 4.636 . 0 0 "[ . 1 . 2]" 2
38 1 23 LEU HA 1 25 PHE QE 5.600 . 5.600 4.168 4.049 4.310 . 0 0 "[ . 1 . 2]" 2
39 1 23 LEU QB 1 25 PHE QD 5.600 . 5.600 2.758 2.548 3.005 . 0 0 "[ . 1 . 2]" 2
40 1 23 LEU QB 1 25 PHE H 5.600 . 5.600 2.940 2.746 3.128 . 0 0 "[ . 1 . 2]" 2
41 1 23 LEU QB 2 7 VAL MG2 5.600 . 6.100 2.250 2.123 2.308 . 0 0 "[ . 1 . 2]" 2
42 1 23 LEU MD1 1 25 PHE QE 5.600 . 6.100 4.169 3.989 4.372 . 0 0 "[ . 1 . 2]" 2
43 1 23 LEU MD2 1 25 PHE QD 5.600 . 6.100 3.789 3.621 3.975 . 0 0 "[ . 1 . 2]" 2
44 1 23 LEU MD2 1 25 PHE QE 5.600 . 6.100 2.152 1.952 2.401 . 0 0 "[ . 1 . 2]" 2
45 1 24 GLY HA3 1 25 PHE QD 5.600 . 5.600 4.042 3.709 4.217 . 0 0 "[ . 1 . 2]" 2
46 1 24 GLY HA3 1 52 PRO QG 5.600 . 5.600 2.455 2.296 2.695 . 0 0 "[ . 1 . 2]" 2
47 1 24 GLY HA2 1 52 PRO QG 5.600 . 5.600 2.848 2.601 3.031 . 0 0 "[ . 1 . 2]" 2
48 1 24 GLY H 1 25 PHE QD 5.600 . 5.600 4.138 3.995 4.265 . 0 0 "[ . 1 . 2]" 2
49 1 25 PHE HA 1 51 GLN QG 5.600 . 5.600 5.001 4.931 5.047 . 0 0 "[ . 1 . 2]" 2
50 1 25 PHE QD 1 26 SER HA 5.600 . 5.600 3.814 3.249 4.029 . 0 0 "[ . 1 . 2]" 2
51 1 25 PHE QD 1 27 ILE HA 5.600 . 5.600 4.208 4.048 4.354 . 0 0 "[ . 1 . 2]" 2
52 1 25 PHE QD 1 27 ILE H 5.600 . 5.600 4.529 4.343 4.664 . 0 0 "[ . 1 . 2]" 2
53 1 25 PHE QD 1 47 VAL HA 5.600 . 5.600 3.795 3.412 4.085 . 0 0 "[ . 1 . 2]" 2
54 1 25 PHE QD 1 47 VAL MG1 5.600 . 6.100 2.247 1.996 2.515 . 0 0 "[ . 1 . 2]" 2
55 1 25 PHE QD 1 47 VAL MG2 5.600 . 6.100 3.103 2.729 3.562 . 0 0 "[ . 1 . 2]" 2
56 1 25 PHE QD 1 50 VAL MG2 5.600 . 6.100 4.284 3.992 4.461 . 0 0 "[ . 1 . 2]" 2
57 1 25 PHE QD 1 56 ALA MB 5.600 . 6.100 2.088 1.905 2.408 . 0 0 "[ . 1 . 2]" 2
58 1 25 PHE QD 1 56 ALA H 5.600 . 5.600 4.265 3.973 4.580 . 0 0 "[ . 1 . 2]" 2
59 1 25 PHE QD 1 60 LEU MD1 5.600 . 6.100 3.218 2.996 3.609 . 0 0 "[ . 1 . 2]" 2
60 1 25 PHE QD 2 7 VAL MG2 5.600 . 6.100 3.298 3.147 3.505 . 0 0 "[ . 1 . 2]" 2
61 1 25 PHE QE 1 27 ILE MD 5.600 . 6.100 4.374 3.936 4.525 . 0 0 "[ . 1 . 2]" 2
62 1 25 PHE QE 1 47 VAL MG1 5.600 . 6.100 3.814 3.523 4.110 . 0 0 "[ . 1 . 2]" 2
63 1 25 PHE QE 1 47 VAL MG2 5.600 . 6.100 3.271 2.794 3.558 . 0 0 "[ . 1 . 2]" 2
64 1 25 PHE QE 1 56 ALA MB 5.600 . 6.100 3.014 2.698 3.435 . 0 0 "[ . 1 . 2]" 2
65 1 25 PHE QE 1 60 LEU MD1 5.600 . 6.100 3.176 2.723 3.850 . 0 0 "[ . 1 . 2]" 2
66 1 25 PHE QE 1 66 ILE MD 5.600 . 6.100 3.294 2.633 3.920 . 0 0 "[ . 1 . 2]" 2
67 1 25 PHE QE 1 86 LEU MD2 5.600 . 6.100 3.807 3.431 4.147 . 0 0 "[ . 1 . 2]" 2
68 1 25 PHE QE 1 95 LEU MD1 5.600 . 6.100 3.373 2.790 4.466 . 0 0 "[ . 1 . 2]" 2
69 1 25 PHE QE 1 95 LEU MD2 5.600 . 6.100 3.887 3.248 4.527 . 0 0 "[ . 1 . 2]" 2
70 1 25 PHE QE 2 7 VAL MG1 5.600 . 6.100 4.288 4.036 4.501 . 0 0 "[ . 1 . 2]" 2
71 1 25 PHE QE 2 7 VAL MG2 5.600 . 6.100 2.961 2.659 3.211 . 0 0 "[ . 1 . 2]" 2
72 1 26 SER HA 2 4 GLU QB 5.600 . 5.600 4.795 4.289 5.031 . 0 0 "[ . 1 . 2]" 2
73 1 26 SER HB3 2 4 GLU QB 4.600 . 4.600 3.592 3.413 3.823 . 0 0 "[ . 1 . 2]" 2
74 1 26 SER HB2 2 4 GLU QB 4.600 . 4.600 2.382 2.055 2.608 . 0 0 "[ . 1 . 2]" 2
75 1 26 SER HG 2 4 GLU QB 4.600 . 4.600 3.139 2.518 4.029 . 0 0 "[ . 1 . 2]" 2
76 1 27 ILE MD 1 74 PHE QD 5.600 . 6.100 4.397 4.108 4.553 . 0 0 "[ . 1 . 2]" 2
77 1 27 ILE MD 1 74 PHE QE 5.600 . 6.100 3.433 3.132 3.922 . 0 0 "[ . 1 . 2]" 2
78 1 27 ILE MG 1 74 PHE QE 5.600 . 6.100 4.213 3.772 4.543 . 0 0 "[ . 1 . 2]" 2
79 1 28 SER HB3 2 4 GLU QB 5.600 . 5.600 3.856 2.479 4.905 . 0 0 "[ . 1 . 2]" 2
80 1 28 SER HB2 2 4 GLU QB 5.600 . 5.600 4.033 2.389 4.794 . 0 0 "[ . 1 . 2]" 2
81 1 29 GLY HA3 1 46 PHE QD 5.600 . 5.600 3.281 2.532 3.875 . 0 0 "[ . 1 . 2]" 2
82 1 29 GLY HA2 1 46 PHE QD 5.600 . 5.600 4.472 3.673 4.708 . 0 0 "[ . 1 . 2]" 2
83 1 31 VAL MG1 1 78 GLU QG 5.600 . 6.100 4.040 3.320 4.537 . 0 0 "[ . 1 . 2]" 2
84 1 31 VAL MG2 1 78 GLU QG 5.600 . 6.100 4.245 3.799 4.534 . 0 0 "[ . 1 . 2]" 2
85 1 31 VAL H 1 78 GLU QG 5.600 . 5.600 4.327 3.775 4.877 . 0 0 "[ . 1 . 2]" 2
86 1 33 GLY HA3 1 34 ARG QG 5.600 . 5.600 4.236 3.773 4.767 . 0 0 "[ . 1 . 2]" 2
87 1 33 GLY HA2 1 34 ARG QG 5.600 . 5.600 4.237 3.733 4.835 . 0 0 "[ . 1 . 2]" 2
88 1 34 ARG QG 2 3 TRP HA 5.600 . 5.600 3.435 2.119 5.006 . 0 0 "[ . 1 . 2]" 2
89 1 34 ARG QG 2 3 TRP QB 5.600 . 6.600 4.039 3.305 5.260 . 0 0 "[ . 1 . 2]" 2
90 1 34 ARG H 1 34 ARG QG 4.600 . 4.600 2.552 1.928 4.171 . 0 0 "[ . 1 . 2]" 2
91 1 36 ASN HB3 1 46 PHE QD 5.600 . 5.600 3.617 2.525 4.293 . 0 0 "[ . 1 . 2]" 2
92 1 36 ASN HB2 1 46 PHE QD 5.600 . 5.600 3.831 2.873 5.001 . 0 0 "[ . 1 . 2]" 2
93 1 36 ASN HD21 1 46 PHE QD 5.600 . 5.600 4.395 2.108 5.011 . 0 0 "[ . 1 . 2]" 2
94 1 36 ASN HD21 1 46 PHE QE 5.600 . 5.600 4.167 2.938 4.837 . 0 0 "[ . 1 . 2]" 2
95 1 37 PRO QB 1 38 PHE QD 5.600 . 6.600 4.402 3.836 4.698 . 0 0 "[ . 1 . 2]" 2
96 1 37 PRO HD2 1 38 PHE QD 5.600 . 5.600 2.071 2.006 2.243 . 0 0 "[ . 1 . 2]" 2
97 1 37 PRO HD3 1 38 PHE QD 5.600 . 5.600 3.774 3.706 3.934 . 0 0 "[ . 1 . 2]" 2
98 1 37 PRO HD3 1 38 PHE QE 5.600 . 5.600 4.253 3.610 4.507 . 0 0 "[ . 1 . 2]" 2
99 1 37 PRO HD2 1 38 PHE QE 5.600 . 5.600 2.873 2.260 3.232 . 0 0 "[ . 1 . 2]" 2
100 1 37 PRO HG2 1 38 PHE QD 5.600 . 5.600 3.344 2.612 3.797 . 0 0 "[ . 1 . 2]" 2
101 1 37 PRO HG3 1 38 PHE QD 5.600 . 5.600 4.569 4.062 4.924 . 0 0 "[ . 1 . 2]" 2
102 1 37 PRO HG2 1 38 PHE QE 5.600 . 5.600 3.198 2.457 3.730 . 0 0 "[ . 1 . 2]" 2
103 1 37 PRO HG3 1 38 PHE QE 5.600 . 5.600 4.367 3.846 4.896 . 0 0 "[ . 1 . 2]" 2
104 1 38 PHE HB2 1 46 PHE QE 5.600 . 5.600 4.492 3.684 5.021 . 0 0 "[ . 1 . 2]" 2
105 1 38 PHE QD 1 39 ARG QG 5.600 . 6.600 4.656 4.133 4.883 . 0 0 "[ . 1 . 2]" 2
106 1 38 PHE QD 1 39 ARG H 5.600 . 5.600 4.094 3.329 4.217 . 0 0 "[ . 1 . 2]" 2
107 1 38 PHE QD 1 48 THR HA 5.600 . 5.600 4.484 4.023 4.765 . 0 0 "[ . 1 . 2]" 2
108 1 38 PHE QE 1 46 PHE QB 5.600 . 6.600 4.214 3.007 4.968 . 0 0 "[ . 1 . 2]" 2
109 1 38 PHE QE 1 48 THR HA 5.600 . 5.600 2.831 2.127 3.166 . 0 0 "[ . 1 . 2]" 2
110 1 38 PHE QE 1 48 THR HB 5.600 . 5.600 2.873 2.475 3.243 . 0 0 "[ . 1 . 2]" 2
111 1 38 PHE QE 1 48 THR MG 5.600 . 6.100 4.276 4.062 4.559 . 0 0 "[ . 1 . 2]" 2
112 1 38 PHE QE 1 62 PRO HB2 5.600 . 5.600 4.774 3.759 5.032 . 0 0 "[ . 1 . 2]" 2
113 1 38 PHE H 1 38 PHE QD 4.600 . 4.600 2.732 2.025 3.131 . 0 0 "[ . 1 . 2]" 2
114 1 39 ARG HA 1 40 PRO QG 5.600 . 5.600 3.980 3.890 4.020 . 0 0 "[ . 1 . 2]" 2
115 1 39 ARG HB3 1 46 PHE QE 5.600 . 5.600 4.546 3.230 5.019 . 0 0 "[ . 1 . 2]" 2
116 1 39 ARG HB2 1 46 PHE QE 5.600 . 5.600 3.566 3.263 3.926 . 0 0 "[ . 1 . 2]" 2
117 1 39 ARG HD3 1 46 PHE QE 5.600 . 5.600 4.564 3.072 5.017 . 0 0 "[ . 1 . 2]" 2
118 1 39 ARG HD2 1 46 PHE QE 5.600 . 5.600 3.896 2.497 5.015 . 0 0 "[ . 1 . 2]" 2
119 1 39 ARG QG 1 46 PHE QE 5.600 . 6.600 2.651 2.092 3.189 . 0 0 "[ . 1 . 2]" 2
120 1 39 ARG H 1 46 PHE QE 5.600 . 5.600 4.637 4.123 5.010 . 0 0 "[ . 1 . 2]" 2
121 1 40 PRO QG 1 41 ASP QB 5.600 . 5.600 3.294 2.896 3.663 . 0 0 "[ . 1 . 2]" 2
122 1 42 ASP HB3 1 46 PHE QE 5.600 . 5.600 3.512 2.925 3.740 . 0 0 "[ . 1 . 2]" 2
123 1 42 ASP HB2 1 46 PHE QE 5.600 . 5.600 4.818 4.219 5.009 . 0 0 "[ . 1 . 2]" 2
124 1 44 GLY HA3 1 46 PHE QE 5.600 . 5.600 3.360 2.916 3.772 . 0 0 "[ . 1 . 2]" 2
125 1 44 GLY HA2 1 46 PHE QE 5.600 . 5.600 4.356 3.984 4.832 . 0 0 "[ . 1 . 2]" 2
126 1 44 GLY H 1 46 PHE QD 5.600 . 5.600 4.564 4.282 4.949 . 0 0 "[ . 1 . 2]" 2
127 1 44 GLY H 1 46 PHE QE 5.600 . 5.600 2.462 2.117 3.110 . 0 0 "[ . 1 . 2]" 2
128 1 45 ILE HA 1 46 PHE QD 5.600 . 5.600 3.031 2.785 3.701 . 0 0 "[ . 1 . 2]" 2
129 1 45 ILE HB 1 74 PHE QD 5.600 . 5.600 3.333 2.849 3.694 . 0 0 "[ . 1 . 2]" 2
130 1 45 ILE MD 1 74 PHE QD 5.600 . 6.100 3.844 3.628 4.501 . 0 0 "[ . 1 . 2]" 2
131 1 45 ILE QG 1 74 PHE QE 5.600 . 6.600 3.914 3.502 4.806 . 0 0 "[ . 1 . 2]" 2
132 1 45 ILE MG 1 74 PHE QD 5.600 . 6.100 3.083 2.767 3.482 . 0 0 "[ . 1 . 2]" 2
133 1 45 ILE H 1 46 PHE QE 5.600 . 5.600 4.190 3.804 4.854 . 0 0 "[ . 1 . 2]" 2
134 1 46 PHE QD 1 47 VAL H 5.600 . 5.600 4.201 3.870 4.455 . 0 0 "[ . 1 . 2]" 2
135 1 46 PHE QD 1 63 GLY HA3 5.600 . 5.600 4.729 4.499 4.992 . 0 0 "[ . 1 . 2]" 2
136 1 46 PHE QD 1 63 GLY HA2 5.600 . 5.600 3.734 3.394 4.154 . 0 0 "[ . 1 . 2]" 2
137 1 46 PHE QD 1 64 ASP H 5.600 . 5.600 4.509 4.326 4.735 . 0 0 "[ . 1 . 2]" 2
138 1 46 PHE QD 1 65 LYS HA 5.600 . 5.600 3.573 2.992 3.941 . 0 0 "[ . 1 . 2]" 2
139 1 46 PHE QE 1 65 LYS HA 5.600 . 5.600 4.358 3.764 4.734 . 0 0 "[ . 1 . 2]" 2
140 1 46 PHE QE 1 65 LYS HB2 5.600 . 5.600 3.088 2.389 3.404 . 0 0 "[ . 1 . 2]" 2
141 1 46 PHE QE 1 65 LYS HB3 5.600 . 5.600 4.720 4.075 5.004 . 0 0 "[ . 1 . 2]" 2
142 1 46 PHE QE 1 65 LYS HD3 5.600 . 5.600 4.716 4.258 5.016 . 0 0 "[ . 1 . 2]" 2
143 1 46 PHE QE 1 65 LYS HD2 5.600 . 5.600 3.286 2.791 3.832 . 0 0 "[ . 1 . 2]" 2
144 1 48 THR HB 2 4 GLU QB 4.600 . 4.600 3.658 3.214 3.908 . 0 0 "[ . 1 . 2]" 2
145 1 48 THR MG 2 4 GLU QB 5.600 . 6.100 2.153 1.974 2.349 . 0 0 "[ . 1 . 2]" 2
146 1 49 ARG QD 1 51 GLN QG 5.600 . 6.600 4.373 2.979 5.245 . 0 0 "[ . 1 . 2]" 2
147 1 51 GLN QG 1 52 PRO QD 5.600 . 6.600 3.596 3.531 3.718 . 0 0 "[ . 1 . 2]" 2
148 1 51 GLN QG 2 6 TRP HE3 5.600 . 5.600 4.248 3.729 5.014 . 0 0 "[ . 1 . 2]" 2
149 1 51 GLN QG 2 6 TRP HH2 5.600 . 5.600 2.218 2.002 2.587 . 0 0 "[ . 1 . 2]" 2
150 1 51 GLN QG 2 6 TRP HZ2 5.600 . 5.600 2.996 2.718 3.298 . 0 0 "[ . 1 . 2]" 2
151 1 51 GLN QG 2 6 TRP HZ3 4.600 . 4.600 3.252 3.035 3.502 . 0 0 "[ . 1 . 2]" 2
152 1 52 PRO HA 1 53 GLU QG 5.600 . 5.600 4.019 3.733 4.378 . 0 0 "[ . 1 . 2]" 2
153 1 52 PRO QG 1 54 GLY H 5.600 . 5.600 3.710 3.523 3.839 . 0 0 "[ . 1 . 2]" 2
154 1 58 LYS H 1 58 LYS QD 5.600 . 5.600 3.738 1.991 4.652 . 0 0 "[ . 1 . 2]" 2
155 1 61 GLN HE21 1 99 ARG QG 5.600 . 5.600 3.680 2.572 4.992 . 0 0 "[ . 1 . 2]" 2
156 1 66 ILE HB 1 74 PHE QD 5.600 . 5.600 3.252 2.655 3.653 . 0 0 "[ . 1 . 2]" 2
157 1 68 GLN HA 1 74 PHE QD 5.600 . 5.600 3.295 2.867 4.046 . 0 0 "[ . 1 . 2]" 2
158 1 68 GLN QG 1 72 TYR H 5.600 . 5.600 4.028 2.901 5.013 . 0 0 "[ . 1 . 2]" 2
159 1 68 GLN QG 1 73 SER HA 5.600 . 5.600 2.235 1.932 2.753 . 0 0 "[ . 1 . 2]" 2
160 1 68 GLN QG 1 73 SER H 5.600 . 5.600 3.869 3.429 4.468 . 0 0 "[ . 1 . 2]" 2
161 1 68 GLN QG 1 96 ILE QG 5.600 . 6.600 4.192 3.496 5.224 . 0 0 "[ . 1 . 2]" 2
162 1 69 ALA MB 1 89 PHE QD 5.600 . 6.100 4.162 3.882 4.474 . 0 0 "[ . 1 . 2]" 2
163 1 70 ASN HB2 1 89 PHE QE 5.600 . 5.600 2.756 2.112 3.288 . 0 0 "[ . 1 . 2]" 2
164 1 70 ASN HD22 1 89 PHE QD 5.600 . 5.600 3.764 3.238 3.993 . 0 0 "[ . 1 . 2]" 2
165 1 70 ASN HD22 1 89 PHE QE 5.600 . 5.600 4.384 3.660 4.903 . 0 0 "[ . 1 . 2]" 2
166 1 72 TYR QD 1 73 SER H 5.600 . 5.600 3.693 2.448 4.441 . 0 0 "[ . 1 . 2]" 2
167 1 72 TYR QD 1 85 LEU MD1 5.600 . 6.100 2.846 1.853 3.275 0.047 2 0 "[ . 1 . 2]" 2
168 1 72 TYR QD 1 85 LEU MD2 5.600 . 6.100 3.172 2.378 3.672 . 0 0 "[ . 1 . 2]" 2
169 1 72 TYR QE 1 85 LEU MD1 5.600 . 6.100 3.901 3.096 4.532 . 0 0 "[ . 1 . 2]" 2
170 1 72 TYR QE 1 85 LEU MD2 5.600 . 6.100 3.273 2.901 3.693 . 0 0 "[ . 1 . 2]" 2
171 1 74 PHE QD 1 75 ILE H 5.600 . 5.600 4.677 4.546 4.808 . 0 0 "[ . 1 . 2]" 2
172 1 74 PHE QD 1 82 ALA HA 5.600 . 5.600 4.103 3.859 4.451 . 0 0 "[ . 1 . 2]" 2
173 1 74 PHE QD 1 82 ALA MB 5.600 . 6.100 2.887 2.593 3.401 . 0 0 "[ . 1 . 2]" 2
174 1 74 PHE QE 1 82 ALA HA 5.600 . 5.600 3.061 2.667 3.830 . 0 0 "[ . 1 . 2]" 2
175 1 74 PHE QE 1 82 ALA MB 5.600 . 6.100 2.325 2.080 3.398 . 0 0 "[ . 1 . 2]" 2
176 1 74 PHE QE 1 85 LEU HB3 5.600 . 5.600 3.335 2.824 3.868 . 0 0 "[ . 1 . 2]" 2
177 1 74 PHE QE 1 85 LEU HB2 5.600 . 5.600 3.526 3.243 3.845 . 0 0 "[ . 1 . 2]" 2
178 1 74 PHE QE 1 86 LEU MD1 5.600 . 6.100 2.660 2.223 3.027 . 0 0 "[ . 1 . 2]" 2
179 1 74 PHE QE 1 86 LEU HG 4.600 . 4.600 2.870 2.342 3.344 . 0 0 "[ . 1 . 2]" 2
180 1 74 PHE QE 1 86 LEU H 5.600 . 5.600 4.377 4.018 4.603 . 0 0 "[ . 1 . 2]" 2
181 1 74 PHE QE 1 95 LEU MD2 5.600 . 6.100 4.343 3.986 4.543 . 0 0 "[ . 1 . 2]" 2
182 1 77 ILE MD 1 81 GLN QG 5.600 . 6.100 3.653 3.138 4.206 . 0 0 "[ . 1 . 2]" 2
183 1 77 ILE QG 1 81 GLN QG 5.600 . 6.600 4.987 4.495 5.267 . 0 0 "[ . 1 . 2]" 2
184 1 77 ILE MG 1 81 GLN QG 5.600 . 6.100 3.673 2.957 4.068 . 0 0 "[ . 1 . 2]" 2
185 1 78 GLU QG 1 81 GLN H 5.600 . 5.600 4.921 4.835 4.986 . 0 0 "[ . 1 . 2]" 2
186 1 78 GLU H 1 81 GLN QG 4.600 . 4.600 3.945 3.595 4.118 . 0 0 "[ . 1 . 2]" 2
187 1 81 GLN QG 1 85 LEU MD1 5.600 . 6.100 3.218 2.480 4.082 . 0 0 "[ . 1 . 2]" 2
188 1 81 GLN QG 1 85 LEU MD2 5.600 . 6.100 4.183 3.802 4.546 . 0 0 "[ . 1 . 2]" 2
189 1 81 GLN QG 1 85 LEU HG 5.600 . 5.600 3.391 2.833 4.251 . 0 0 "[ . 1 . 2]" 2
190 1 81 GLN H 1 81 GLN QG 4.600 . 4.600 3.962 3.581 4.070 . 0 0 "[ . 1 . 2]" 2
191 1 83 VAL HB 1 87 LYS QE 5.600 . 5.600 4.676 4.192 5.001 . 0 0 "[ . 1 . 2]" 2
192 1 83 VAL MG1 1 87 LYS QE 5.600 . 6.100 2.288 1.950 2.578 . 0 0 "[ . 1 . 2]" 2
193 1 84 SER QB 1 85 LEU H 4.600 . 4.600 2.637 2.471 3.325 . 0 0 "[ . 1 . 2]" 2
194 1 85 LEU HB3 1 89 PHE QE 5.600 . 5.600 3.375 3.020 3.763 . 0 0 "[ . 1 . 2]" 2
195 1 85 LEU HB2 1 89 PHE QE 5.600 . 5.600 4.438 4.146 4.843 . 0 0 "[ . 1 . 2]" 2
196 1 85 LEU MD1 1 89 PHE QE 5.600 . 6.100 4.241 3.956 4.546 . 0 0 "[ . 1 . 2]" 2
197 1 85 LEU MD2 1 89 PHE QE 5.600 . 6.100 3.561 3.025 4.308 . 0 0 "[ . 1 . 2]" 2
198 1 86 LEU HA 1 89 PHE QD 5.600 . 5.600 2.078 1.994 2.566 . 0 0 "[ . 1 . 2]" 2
199 1 86 LEU HA 1 89 PHE QE 5.600 . 5.600 2.774 2.632 2.979 . 0 0 "[ . 1 . 2]" 2
200 1 86 LEU MD2 1 89 PHE QD 5.600 . 6.100 2.241 2.151 2.335 . 0 0 "[ . 1 . 2]" 2
201 1 87 LYS QD 2 7 VAL HA 5.600 . 5.600 3.713 2.527 4.657 . 0 0 "[ . 1 . 2]" 2
202 1 87 LYS QD 2 7 VAL HB 5.600 . 5.600 4.293 3.213 5.009 . 0 0 "[ . 1 . 2]" 2
203 1 87 LYS QD 2 7 VAL MG1 5.600 . 6.100 3.912 3.378 4.334 . 0 0 "[ . 1 . 2]" 2
204 1 87 LYS QE 2 5 THR MG 5.600 . 6.100 3.518 3.031 4.187 . 0 0 "[ . 1 . 2]" 2
205 1 87 LYS QE 2 7 VAL HA 4.600 . 4.600 2.521 2.014 3.784 . 0 0 "[ . 1 . 2]" 2
206 1 87 LYS QE 2 7 VAL HB 5.600 . 5.600 3.935 3.464 4.865 . 0 0 "[ . 1 . 2]" 2
207 1 87 LYS QE 2 7 VAL MG1 5.600 . 6.100 2.840 2.230 3.730 . 0 0 "[ . 1 . 2]" 2
208 1 88 THR MG 1 89 PHE QD 5.600 . 6.100 3.351 2.859 3.701 . 0 0 "[ . 1 . 2]" 2
209 1 88 THR MG 1 89 PHE QE 5.600 . 6.100 3.953 3.454 4.308 . 0 0 "[ . 1 . 2]" 2
210 1 89 PHE QD 1 90 GLN H 5.600 . 5.600 3.480 3.121 3.829 . 0 0 "[ . 1 . 2]" 2
211 1 89 PHE QD 1 93 VAL MG1 5.600 . 6.100 2.379 2.132 2.598 . 0 0 "[ . 1 . 2]" 2
212 1 89 PHE QD 1 93 VAL MG2 5.600 . 6.100 2.931 2.410 3.250 . 0 0 "[ . 1 . 2]" 2
213 1 89 PHE QE 1 93 VAL MG1 5.600 . 6.100 3.041 2.553 3.389 . 0 0 "[ . 1 . 2]" 2
214 2 3 TRP HE3 2 4 GLU QB 5.600 . 5.600 2.856 2.190 3.110 . 0 0 "[ . 1 . 2]" 2
215 2 3 TRP HZ3 2 4 GLU QB 5.600 . 5.600 2.737 2.052 3.491 . 0 0 "[ . 1 . 2]" 2
216 2 4 GLU QB 2 6 TRP HD1 5.600 . 5.600 4.928 4.667 5.017 . 0 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 36
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 42.691
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 13 ILE 0.310 0.066 1 0 "[ . 1 . 2]"
1 15 VAL 0.165 0.049 9 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.105 0.063 19 0 "[ . 1 . 2]"
1 28 SER 0.295 0.088 15 0 "[ . 1 . 2]"
1 45 ILE 0.105 0.039 4 0 "[ . 1 . 2]"
1 46 PHE 0.295 0.088 15 0 "[ . 1 . 2]"
1 66 ILE 0.105 0.039 4 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.046 0.030 17 0 "[ . 1 . 2]"
1 78 GLU 0.515 0.058 9 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 0.078 0.019 14 0 "[ . 1 . 2]"
1 81 GLN 0.135 0.030 16 0 "[ . 1 . 2]"
1 82 ALA 0.740 0.058 9 0 "[ . 1 . 2]"
1 83 VAL 0.156 0.088 20 0 "[ . 1 . 2]"
1 84 SER 0.078 0.019 14 0 "[ . 1 . 2]"
1 85 LEU 0.135 0.030 16 0 "[ . 1 . 2]"
1 86 LEU 0.225 0.041 2 0 "[ . 1 . 2]"
1 87 LYS 0.156 0.088 20 0 "[ . 1 . 2]"
1 91 ASN 0.105 0.063 19 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.046 0.030 17 0 "[ . 1 . 2]"
1 95 LEU 0.165 0.049 9 0 "[ . 1 . 2]"
1 96 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.310 0.066 1 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 68 GLN O 1 96 ILE H 2.300 . 2.300 1.955 1.737 2.201 . 0 0 "[ . 1 . 2]" 3
2 1 68 GLN O 1 96 ILE N 3.400 2.500 3.400 2.843 2.670 3.061 . 0 0 "[ . 1 . 2]" 3
3 1 70 ASN H 1 94 GLU O 2.300 . 2.300 2.128 1.793 2.330 0.030 17 0 "[ . 1 . 2]" 3
4 1 70 ASN N 1 94 GLU O 3.400 2.500 3.400 3.088 2.758 3.296 . 0 0 "[ . 1 . 2]" 3
5 1 13 ILE H 1 97 ILE O 2.300 . 2.300 2.272 2.034 2.366 0.066 1 0 "[ . 1 . 2]" 3
6 1 13 ILE N 1 97 ILE O 3.400 2.500 3.400 3.149 3.007 3.289 . 0 0 "[ . 1 . 2]" 3
7 1 13 ILE O 1 97 ILE H 2.300 . 2.300 2.020 1.893 2.273 . 0 0 "[ . 1 . 2]" 3
8 1 13 ILE O 1 97 ILE N 3.400 2.500 3.400 2.979 2.820 3.236 . 0 0 "[ . 1 . 2]" 3
9 1 15 VAL H 1 95 LEU O 2.300 . 2.300 2.066 1.700 2.349 0.049 9 0 "[ . 1 . 2]" 3
10 1 15 VAL N 1 95 LEU O 3.400 2.500 3.400 2.937 2.625 3.260 . 0 0 "[ . 1 . 2]" 3
11 1 15 VAL O 1 95 LEU H 2.300 . 2.300 2.040 1.697 2.330 0.030 7 0 "[ . 1 . 2]" 3
12 1 15 VAL O 1 95 LEU N 3.400 2.500 3.400 2.960 2.624 3.246 . 0 0 "[ . 1 . 2]" 3
13 1 17 VAL H 1 93 VAL O 2.300 . 2.300 2.012 1.793 2.254 . 0 0 "[ . 1 . 2]" 3
14 1 17 VAL N 1 93 VAL O 3.400 2.500 3.400 2.967 2.773 3.201 . 0 0 "[ . 1 . 2]" 3
15 1 17 VAL O 1 93 VAL H 2.300 . 2.300 1.864 1.692 2.271 . 0 0 "[ . 1 . 2]" 3
16 1 17 VAL O 1 93 VAL N 3.400 2.500 3.400 2.702 2.607 2.936 . 0 0 "[ . 1 . 2]" 3
17 1 19 LYS H 1 91 ASN O 2.300 . 2.300 1.978 1.735 2.363 0.063 19 0 "[ . 1 . 2]" 3
18 1 19 LYS N 1 91 ASN O 3.400 2.500 3.400 2.818 2.697 2.977 . 0 0 "[ . 1 . 2]" 3
19 1 28 SER H 1 46 PHE O 2.300 . 2.300 2.175 1.951 2.388 0.088 15 0 "[ . 1 . 2]" 3
20 1 28 SER N 1 46 PHE O 3.400 2.500 3.400 3.024 2.837 3.205 . 0 0 "[ . 1 . 2]" 3
21 1 28 SER O 1 46 PHE H 2.300 . 2.300 2.082 1.898 2.316 0.016 12 0 "[ . 1 . 2]" 3
22 1 28 SER O 1 46 PHE N 3.400 2.500 3.400 3.016 2.826 3.254 . 0 0 "[ . 1 . 2]" 3
23 1 45 ILE O 1 66 ILE H 2.300 . 2.300 2.157 1.812 2.339 0.039 4 0 "[ . 1 . 2]" 3
24 1 45 ILE O 1 66 ILE N 3.400 2.500 3.400 3.099 2.771 3.265 . 0 0 "[ . 1 . 2]" 3
25 1 78 GLU O 1 82 ALA H 2.300 . 2.300 2.323 2.252 2.358 0.058 9 0 "[ . 1 . 2]" 3
26 1 78 GLU O 1 82 ALA N 3.400 2.500 3.400 3.218 3.141 3.267 . 0 0 "[ . 1 . 2]" 3
27 1 79 HIS O 1 83 VAL H 2.300 . 2.300 2.129 2.008 2.291 . 0 0 "[ . 1 . 2]" 3
28 1 79 HIS O 1 83 VAL N 3.400 2.500 3.400 3.071 2.950 3.237 . 0 0 "[ . 1 . 2]" 3
29 1 80 GLY O 1 84 SER H 2.300 . 2.300 2.181 1.836 2.319 0.019 14 0 "[ . 1 . 2]" 3
30 1 80 GLY O 1 84 SER N 3.400 2.500 3.400 3.075 2.756 3.226 . 0 0 "[ . 1 . 2]" 3
31 1 81 GLN O 1 85 LEU H 2.300 . 2.300 2.216 1.911 2.330 0.030 16 0 "[ . 1 . 2]" 3
32 1 81 GLN O 1 85 LEU N 3.400 2.500 3.400 3.117 2.864 3.212 . 0 0 "[ . 1 . 2]" 3
33 1 82 ALA O 1 86 LEU H 2.300 . 2.300 2.260 2.058 2.341 0.041 2 0 "[ . 1 . 2]" 3
34 1 82 ALA O 1 86 LEU N 3.400 2.500 3.400 3.203 3.032 3.298 . 0 0 "[ . 1 . 2]" 3
35 1 83 VAL O 1 87 LYS H 2.300 . 2.300 2.122 1.976 2.388 0.088 20 0 "[ . 1 . 2]" 3
36 1 83 VAL O 1 87 LYS N 3.400 2.500 3.400 2.993 2.841 3.288 . 0 0 "[ . 1 . 2]" 3
stop_
save_