NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617589 |
5vo7   |
30290 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5vo7
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 1238
_Distance_constraint_stats_list.Viol_count 1189
_Distance_constraint_stats_list.Viol_total 476.301
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0200
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 19 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 19 0 "[ . 1 . 2]"
1 5 SER 1.045 0.189 5 0 "[ . 1 . 2]"
1 6 ALA 1.045 0.189 5 0 "[ . 1 . 2]"
1 7 THR 0.009 0.004 10 0 "[ . 1 . 2]"
1 8 VAL 0.021 0.009 10 0 "[ . 1 . 2]"
1 9 ALA 0.004 0.003 9 0 "[ . 1 . 2]"
1 10 VAL 0.036 0.008 18 0 "[ . 1 . 2]"
1 11 THR 0.003 0.003 16 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.607 0.052 16 0 "[ . 1 . 2]"
1 15 PHE 0.325 0.019 18 0 "[ . 1 . 2]"
1 16 SER 0.503 0.024 17 0 "[ . 1 . 2]"
1 17 THR 0.479 0.024 20 0 "[ . 1 . 2]"
1 18 ASP 0.367 0.024 20 0 "[ . 1 . 2]"
1 19 VAL 0.175 0.026 16 0 "[ . 1 . 2]"
1 20 LEU 1.367 0.050 5 0 "[ . 1 . 2]"
1 21 GLY 0.013 0.008 7 0 "[ . 1 . 2]"
1 22 SER 1.108 0.053 10 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.367 0.059 16 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.136 0.059 16 0 "[ . 1 . 2]"
1 27 LEU 0.226 0.024 7 0 "[ . 1 . 2]"
1 28 VAL 0.737 0.065 12 0 "[ . 1 . 2]"
1 29 ASP 0.266 0.048 14 0 "[ . 1 . 2]"
1 30 PHE 0.212 0.059 20 0 "[ . 1 . 2]"
1 31 TRP 1.442 0.140 1 0 "[ . 1 . 2]"
1 32 ALA 1.852 0.174 18 0 "[ . 1 . 2]"
1 33 THR 1.027 0.174 18 0 "[ . 1 . 2]"
1 34 TRP 0.004 0.004 19 0 "[ . 1 . 2]"
1 35 CYS 0.547 0.072 18 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 1.387 0.072 17 0 "[ . 1 . 2]"
1 39 LYS 0.823 0.077 15 0 "[ . 1 . 2]"
1 40 MET 0.068 0.035 2 0 "[ . 1 . 2]"
1 41 VAL 1.556 0.135 17 0 "[ . 1 . 2]"
1 42 ALA 1.026 0.135 17 0 "[ . 1 . 2]"
1 43 PRO 0.014 0.007 5 0 "[ . 1 . 2]"
1 44 VAL 0.553 0.062 8 0 "[ . 1 . 2]"
1 45 LEU 0.527 0.062 8 0 "[ . 1 . 2]"
1 46 GLU 0.152 0.034 11 0 "[ . 1 . 2]"
1 47 GLU 0.728 0.077 19 0 "[ . 1 . 2]"
1 48 ILE 1.070 0.050 15 0 "[ . 1 . 2]"
1 49 ALA 0.538 0.077 19 0 "[ . 1 . 2]"
1 50 ALA 0.144 0.034 18 0 "[ . 1 . 2]"
1 51 GLU 0.564 0.061 9 0 "[ . 1 . 2]"
1 52 LYS 0.547 0.102 13 0 "[ . 1 . 2]"
1 53 GLY 0.757 0.084 5 0 "[ . 1 . 2]"
1 54 ASP 0.151 0.040 19 0 "[ . 1 . 2]"
1 55 GLN 0.194 0.076 16 0 "[ . 1 . 2]"
1 56 LEU 1.108 0.084 5 0 "[ . 1 . 2]"
1 57 THR 0.490 0.098 19 0 "[ . 1 . 2]"
1 58 VAL 0.951 0.177 12 0 "[ . 1 . 2]"
1 59 ALA 0.725 0.065 12 0 "[ . 1 . 2]"
1 60 LYS 0.037 0.013 10 0 "[ . 1 . 2]"
1 61 ILE 1.898 0.059 13 0 "[ . 1 . 2]"
1 62 ASP 0.471 0.059 6 0 "[ . 1 . 2]"
1 63 VAL 1.931 0.140 1 0 "[ . 1 . 2]"
1 64 ASP 0.166 0.073 1 0 "[ . 1 . 2]"
1 65 ALA 0.698 0.059 13 0 "[ . 1 . 2]"
1 66 ASN 1.182 0.059 6 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.005 0.002 16 0 "[ . 1 . 2]"
1 69 THR 0.054 0.025 16 0 "[ . 1 . 2]"
1 70 ALA 2.182 0.174 14 0 "[ . 1 . 2]"
1 71 ARG 0.196 0.038 2 0 "[ . 1 . 2]"
1 72 ASP 0.109 0.025 12 0 "[ . 1 . 2]"
1 73 PHE 0.248 0.070 16 0 "[ . 1 . 2]"
1 74 GLN 0.235 0.070 16 0 "[ . 1 . 2]"
1 75 VAL 1.631 0.174 14 0 "[ . 1 . 2]"
1 76 VAL 0.086 0.080 12 0 "[ . 1 . 2]"
1 77 SER 0.263 0.080 12 0 "[ . 1 . 2]"
1 78 ILE 1.413 0.072 18 0 "[ . 1 . 2]"
1 79 PRO 0.195 0.046 15 0 "[ . 1 . 2]"
1 80 THR 0.127 0.059 20 0 "[ . 1 . 2]"
1 81 MET 0.195 0.021 10 0 "[ . 1 . 2]"
1 82 ILE 0.412 0.027 15 0 "[ . 1 . 2]"
1 83 LEU 0.412 0.034 16 0 "[ . 1 . 2]"
1 84 PHE 0.364 0.038 10 0 "[ . 1 . 2]"
1 85 LYS 0.010 0.005 8 0 "[ . 1 . 2]"
1 86 ASP 0.153 0.023 10 0 "[ . 1 . 2]"
1 87 GLY 0.084 0.027 16 0 "[ . 1 . 2]"
1 88 ALA 0.004 0.003 17 0 "[ . 1 . 2]"
1 89 PRO 0.665 0.034 16 0 "[ . 1 . 2]"
1 90 VAL 0.450 0.038 10 0 "[ . 1 . 2]"
1 91 LYS 0.038 0.012 15 0 "[ . 1 . 2]"
1 92 ARG 0.039 0.010 9 0 "[ . 1 . 2]"
1 93 ILE 0.154 0.018 7 0 "[ . 1 . 2]"
1 94 VAL 0.100 0.072 11 0 "[ . 1 . 2]"
1 95 GLY 0.098 0.018 15 0 "[ . 1 . 2]"
1 96 ALA 0.197 0.072 11 0 "[ . 1 . 2]"
1 97 LYS 0.121 0.029 17 0 "[ . 1 . 2]"
1 98 GLY 0.003 0.003 14 0 "[ . 1 . 2]"
1 99 LYS 0.305 0.093 20 0 "[ . 1 . 2]"
1 100 ALA 0.066 0.015 19 0 "[ . 1 . 2]"
1 101 ALA 0.059 0.028 4 0 "[ . 1 . 2]"
1 102 LEU 0.044 0.028 4 0 "[ . 1 . 2]"
1 103 LEU 0.192 0.034 9 0 "[ . 1 . 2]"
1 104 ARG 0.016 0.010 19 0 "[ . 1 . 2]"
1 105 GLU 0.030 0.010 19 0 "[ . 1 . 2]"
1 106 LEU 0.016 0.004 15 0 "[ . 1 . 2]"
1 107 SER 0.004 0.004 15 0 "[ . 1 . 2]"
1 108 ASP 0.040 0.016 8 0 "[ . 1 . 2]"
1 109 ALA 0.014 0.004 6 0 "[ . 1 . 2]"
1 110 LEU 0.201 0.038 9 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 THR HB 1 49 ALA MB . . 4.320 4.062 3.659 4.324 0.004 10 0 "[ . 1 . 2]" 1
2 1 27 LEU HG 1 28 VAL HA . . 4.120 3.700 3.534 4.122 0.002 11 0 "[ . 1 . 2]" 1
3 1 7 THR HA 1 7 THR MG . . 3.290 2.337 2.179 2.416 . 0 0 "[ . 1 . 2]" 1
4 1 7 THR HA 1 8 VAL MG1 . . 4.310 3.732 3.538 3.837 . 0 0 "[ . 1 . 2]" 1
5 1 7 THR MG 1 49 ALA MB . . 3.350 2.341 1.907 2.982 . 0 0 "[ . 1 . 2]" 1
6 1 7 THR MG 1 58 VAL HB . . 4.310 3.934 1.979 4.309 . 0 0 "[ . 1 . 2]" 1
7 1 8 VAL HB 1 9 ALA H . . 4.480 4.142 3.984 4.221 . 0 0 "[ . 1 . 2]" 1
8 1 8 VAL HA 1 8 VAL MG2 . . 3.480 2.269 2.208 2.332 . 0 0 "[ . 1 . 2]" 1
9 1 49 ALA MB 1 58 VAL MG1 . . 3.370 3.107 1.910 3.378 0.008 1 0 "[ . 1 . 2]" 1
10 1 8 VAL HA 1 8 VAL MG1 . . 3.720 3.194 3.185 3.202 . 0 0 "[ . 1 . 2]" 1
11 1 11 THR HA 1 11 THR MG . . 3.290 2.050 1.995 2.147 . 0 0 "[ . 1 . 2]" 1
12 1 15 PHE HA 1 19 VAL MG2 . . 4.250 3.352 3.281 3.460 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL MG1 1 15 PHE HA . . 4.930 4.054 3.724 4.288 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL MG2 1 15 PHE HA . . 4.930 2.660 2.316 2.895 . 0 0 "[ . 1 . 2]" 1
15 1 15 PHE HA 1 19 VAL HB . . 5.240 5.135 4.971 5.250 0.010 16 0 "[ . 1 . 2]" 1
16 1 17 THR HA 1 17 THR MG . . 3.300 3.199 3.196 3.200 . 0 0 "[ . 1 . 2]" 1
17 1 19 VAL MG1 1 26 VAL MG1 . . 4.400 3.316 1.838 3.903 . 0 0 "[ . 1 . 2]" 1
18 1 19 VAL MG1 1 20 LEU MD2 . . 3.950 2.321 2.109 2.553 . 0 0 "[ . 1 . 2]" 1
19 1 19 VAL MG1 1 26 VAL MG2 . . 4.400 2.390 1.738 3.587 . 0 0 "[ . 1 . 2]" 1
20 1 19 VAL MG1 1 26 VAL HB . . 4.180 3.444 2.089 4.190 0.010 16 0 "[ . 1 . 2]" 1
21 1 19 VAL MG1 1 84 PHE HB3 . . 4.420 2.674 2.328 3.471 . 0 0 "[ . 1 . 2]" 1
22 1 19 VAL MG1 1 20 LEU HA . . 4.830 3.419 3.267 3.530 . 0 0 "[ . 1 . 2]" 1
23 1 19 VAL MG1 1 84 PHE QE . . 4.810 3.762 3.452 4.250 . 0 0 "[ . 1 . 2]" 1
24 1 15 PHE QE 1 19 VAL MG1 . . 4.120 3.647 3.438 3.843 . 0 0 "[ . 1 . 2]" 1
25 1 15 PHE QD 1 19 VAL MG2 . . 3.990 3.155 3.014 3.304 . 0 0 "[ . 1 . 2]" 1
26 1 15 PHE QE 1 19 VAL MG2 . . 4.420 2.836 2.548 2.977 . 0 0 "[ . 1 . 2]" 1
27 1 19 VAL HA 1 19 VAL MG2 . . 3.750 2.344 2.285 2.444 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL HB 1 19 VAL MG2 . . 4.870 4.659 4.343 4.869 . 0 0 "[ . 1 . 2]" 1
29 1 19 VAL MG2 1 59 ALA MB . . 4.570 4.480 4.078 4.578 0.008 7 0 "[ . 1 . 2]" 1
30 1 19 VAL MG2 1 28 VAL MG2 . . 3.460 2.479 2.096 2.645 . 0 0 "[ . 1 . 2]" 1
31 1 19 VAL MG2 1 28 VAL MG1 . . 5.500 4.113 3.468 4.362 . 0 0 "[ . 1 . 2]" 1
32 1 19 VAL HA 1 26 VAL MG2 . . 4.410 2.580 2.158 3.399 . 0 0 "[ . 1 . 2]" 1
33 1 19 VAL HA 1 26 VAL MG1 . . 4.410 3.291 2.493 4.129 . 0 0 "[ . 1 . 2]" 1
34 1 19 VAL HA 1 22 SER H . . 4.530 3.658 3.575 3.901 . 0 0 "[ . 1 . 2]" 1
35 1 20 LEU HA 1 87 GLY HA3 . . 4.620 3.072 2.229 4.647 0.027 16 0 "[ . 1 . 2]" 1
36 1 20 LEU HA 1 87 GLY HA2 . . 4.620 2.625 2.021 3.648 . 0 0 "[ . 1 . 2]" 1
37 1 20 LEU HA 1 20 LEU MD1 . . 4.380 3.860 3.850 3.866 . 0 0 "[ . 1 . 2]" 1
38 1 16 SER HA 1 20 LEU MD1 . . 4.120 3.096 3.001 3.250 . 0 0 "[ . 1 . 2]" 1
39 1 15 PHE QD 1 20 LEU MD1 . . 4.630 4.587 4.500 4.633 0.003 16 0 "[ . 1 . 2]" 1
40 1 15 PHE QE 1 20 LEU MD1 . . 4.650 4.659 4.653 4.662 0.012 2 0 "[ . 1 . 2]" 1
41 1 20 LEU H 1 20 LEU MD2 . . 3.600 2.623 2.530 2.709 . 0 0 "[ . 1 . 2]" 1
42 1 20 LEU HA 1 20 LEU MD2 . . 3.390 2.073 2.028 2.216 . 0 0 "[ . 1 . 2]" 1
43 1 15 PHE QE 1 20 LEU MD2 . . 4.030 3.769 3.680 3.842 . 0 0 "[ . 1 . 2]" 1
44 1 103 LEU HB3 1 103 LEU MD1 . . 3.590 2.374 2.280 2.516 . 0 0 "[ . 1 . 2]" 1
45 1 15 PHE QD 1 28 VAL MG1 . . 3.950 3.513 3.076 3.859 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE QE 1 28 VAL MG1 . . 3.960 2.029 1.949 2.340 . 0 0 "[ . 1 . 2]" 1
47 1 28 VAL MG1 1 61 ILE MD . . 4.330 3.531 3.251 3.747 . 0 0 "[ . 1 . 2]" 1
48 1 15 PHE QD 1 28 VAL MG2 . . 4.510 3.542 3.370 3.980 . 0 0 "[ . 1 . 2]" 1
49 1 28 VAL MG2 1 84 PHE QE . . 4.670 3.105 2.686 3.666 . 0 0 "[ . 1 . 2]" 1
50 1 15 PHE QE 1 28 VAL MG2 . . 3.790 1.985 1.920 2.176 . 0 0 "[ . 1 . 2]" 1
51 1 28 VAL H 1 28 VAL MG2 . . 4.150 2.932 2.814 3.009 . 0 0 "[ . 1 . 2]" 1
52 1 28 VAL MG2 1 59 ALA MB . . 4.120 2.648 2.248 2.954 . 0 0 "[ . 1 . 2]" 1
53 1 19 VAL MG1 1 28 VAL MG2 . . 3.640 3.224 2.219 3.581 . 0 0 "[ . 1 . 2]" 1
54 1 38 CYS HA 1 41 VAL MG2 . . 5.390 4.350 3.807 5.306 . 0 0 "[ . 1 . 2]" 1
55 1 38 CYS HA 1 41 VAL HB . . 4.750 4.114 4.003 4.822 0.072 17 0 "[ . 1 . 2]" 1
56 1 38 CYS HA 1 41 VAL MG1 . . 5.390 5.268 2.545 5.438 0.048 16 0 "[ . 1 . 2]" 1
57 1 41 VAL HA 1 44 VAL HB . . 4.290 2.523 2.374 2.603 . 0 0 "[ . 1 . 2]" 1
58 1 41 VAL HA 1 44 VAL MG2 . . 4.330 2.273 2.003 2.676 . 0 0 "[ . 1 . 2]" 1
59 1 85 LYS HB3 1 90 VAL MG1 . . 3.810 1.950 1.882 2.094 . 0 0 "[ . 1 . 2]" 1
60 1 26 VAL HB 1 57 THR MG . . 4.100 2.960 2.140 3.996 . 0 0 "[ . 1 . 2]" 1
61 1 57 THR HA 1 57 THR MG . . 3.590 3.195 3.187 3.207 . 0 0 "[ . 1 . 2]" 1
62 1 56 LEU HA 1 57 THR MG . . 4.480 4.076 3.766 4.255 . 0 0 "[ . 1 . 2]" 1
63 1 57 THR MG 1 59 ALA H . . 4.690 4.489 3.982 4.709 0.019 19 0 "[ . 1 . 2]" 1
64 1 39 LYS HA 1 42 ALA MB . . 3.950 1.883 1.864 1.915 . 0 0 "[ . 1 . 2]" 1
65 1 42 ALA MB 1 43 PRO HD2 . . 3.870 2.399 2.391 2.408 . 0 0 "[ . 1 . 2]" 1
66 1 44 VAL HA 1 44 VAL MG2 . . 3.490 2.333 2.272 2.420 . 0 0 "[ . 1 . 2]" 1
67 1 44 VAL HA 1 44 VAL MG1 . . 3.650 2.341 2.307 2.408 . 0 0 "[ . 1 . 2]" 1
68 1 43 PRO HG2 1 44 VAL HA . . 4.700 4.113 4.078 4.325 . 0 0 "[ . 1 . 2]" 1
69 1 44 VAL MG1 1 48 ILE MD . . 5.370 3.216 3.044 3.457 . 0 0 "[ . 1 . 2]" 1
70 1 46 GLU HA 1 49 ALA MB . . 3.630 2.664 2.568 2.815 . 0 0 "[ . 1 . 2]" 1
71 1 47 GLU HA 1 47 GLU HG3 . . 4.160 3.775 3.687 3.884 . 0 0 "[ . 1 . 2]" 1
72 1 47 GLU HA 1 47 GLU HG2 . . 4.160 3.721 3.635 3.776 . 0 0 "[ . 1 . 2]" 1
73 1 70 ALA MB 1 71 ARG HA . . 4.430 3.639 3.612 3.745 . 0 0 "[ . 1 . 2]" 1
74 1 45 LEU HA 1 48 ILE HB . . 4.260 2.482 2.376 2.861 . 0 0 "[ . 1 . 2]" 1
75 1 48 ILE HA 1 51 GLU HB2 . . 4.120 2.289 2.013 2.813 . 0 0 "[ . 1 . 2]" 1
76 1 48 ILE HA 1 48 ILE MD . . 4.010 2.001 1.969 2.052 . 0 0 "[ . 1 . 2]" 1
77 1 44 VAL MG1 1 48 ILE MG . . 4.240 3.900 3.796 4.060 . 0 0 "[ . 1 . 2]" 1
78 1 48 ILE MD 1 48 ILE MG . . 3.190 2.003 1.914 2.089 . 0 0 "[ . 1 . 2]" 1
79 1 48 ILE MG 1 51 GLU HB2 . . 4.210 3.409 3.194 3.501 . 0 0 "[ . 1 . 2]" 1
80 1 45 LEU HA 1 48 ILE MG . . 4.490 3.714 3.588 4.098 . 0 0 "[ . 1 . 2]" 1
81 1 48 ILE HA 1 48 ILE MG . . 3.660 2.412 2.370 2.465 . 0 0 "[ . 1 . 2]" 1
82 1 48 ILE MG 1 52 LYS H . . 4.800 4.101 3.725 4.760 . 0 0 "[ . 1 . 2]" 1
83 1 48 ILE H 1 48 ILE MG . . 4.110 3.747 3.728 3.753 . 0 0 "[ . 1 . 2]" 1
84 1 93 ILE MD 1 93 ILE MG . . 3.100 2.124 1.911 3.104 0.004 10 0 "[ . 1 . 2]" 1
85 1 93 ILE HB 1 93 ILE MD . . 3.390 2.994 2.091 3.230 . 0 0 "[ . 1 . 2]" 1
86 1 48 ILE MG 1 49 ALA HA . . 4.240 3.396 3.258 3.512 . 0 0 "[ . 1 . 2]" 1
87 1 49 ALA MB 1 58 VAL HB . . 3.650 3.171 2.766 3.454 . 0 0 "[ . 1 . 2]" 1
88 1 49 ALA MB 1 58 VAL MG2 . . 3.370 2.025 1.792 3.382 0.012 9 0 "[ . 1 . 2]" 1
89 1 47 GLU HA 1 50 ALA MB . . 4.280 3.082 2.697 3.351 . 0 0 "[ . 1 . 2]" 1
90 1 56 LEU HA 1 57 THR HB . . 4.560 4.482 4.380 4.607 0.047 9 0 "[ . 1 . 2]" 1
91 1 26 VAL HA 1 57 THR HB . . 5.320 4.849 4.619 5.166 . 0 0 "[ . 1 . 2]" 1
92 1 56 LEU HA 1 57 THR HA . . 4.600 4.355 4.324 4.426 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL MG1 1 59 ALA HA . . 4.940 4.668 3.769 4.938 . 0 0 "[ . 1 . 2]" 1
94 1 28 VAL HA 1 59 ALA MB . . 3.950 3.072 2.427 3.340 . 0 0 "[ . 1 . 2]" 1
95 1 28 VAL MG1 1 59 ALA MB . . 4.210 3.215 2.862 3.401 . 0 0 "[ . 1 . 2]" 1
96 1 9 ALA MB 1 60 LYS HA . . 5.500 4.916 4.542 5.148 . 0 0 "[ . 1 . 2]" 1
97 1 60 LYS HA 1 61 ILE HB . . 5.120 4.232 4.200 4.269 . 0 0 "[ . 1 . 2]" 1
98 1 61 ILE MG 1 66 ASN H . . 5.140 5.143 5.044 5.190 0.050 10 0 "[ . 1 . 2]" 1
99 1 30 PHE HA 1 61 ILE MG . . 3.960 1.900 1.868 1.971 . 0 0 "[ . 1 . 2]" 1
100 1 61 ILE HG12 1 61 ILE MG . . 3.680 2.150 2.104 2.207 . 0 0 "[ . 1 . 2]" 1
101 1 15 PHE QE 1 61 ILE MD . . 4.440 4.236 3.481 4.444 0.004 17 0 "[ . 1 . 2]" 1
102 1 61 ILE MD 1 62 ASP H . . 4.440 3.654 3.640 3.688 . 0 0 "[ . 1 . 2]" 1
103 1 61 ILE HA 1 61 ILE MD . . 3.820 3.594 3.495 3.651 . 0 0 "[ . 1 . 2]" 1
104 1 61 ILE MD 1 66 ASN HB2 . . 4.440 3.738 3.391 4.440 0.000 5 0 "[ . 1 . 2]" 1
105 1 61 ILE MD 1 66 ASN HB3 . . 4.440 4.344 4.019 4.448 0.008 14 0 "[ . 1 . 2]" 1
106 1 28 VAL MG2 1 61 ILE MD . . 5.210 5.038 4.782 5.215 0.005 19 0 "[ . 1 . 2]" 1
107 1 61 ILE MD 1 61 ILE MG . . 3.500 2.335 2.249 2.426 . 0 0 "[ . 1 . 2]" 1
108 1 63 VAL HA 1 70 ALA MB . . 4.850 4.836 4.649 4.879 0.029 11 0 "[ . 1 . 2]" 1
109 1 63 VAL MG1 1 66 ASN H . . 4.890 4.002 3.886 4.559 . 0 0 "[ . 1 . 2]" 1
110 1 63 VAL MG2 1 70 ALA MB . . 4.120 3.534 2.037 3.799 . 0 0 "[ . 1 . 2]" 1
111 1 67 PRO HA 1 70 ALA MB . . 3.830 3.165 2.604 3.376 . 0 0 "[ . 1 . 2]" 1
112 1 68 ALA H 1 68 ALA MB . . 3.640 2.194 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
113 1 49 ALA MB 1 50 ALA HA . . 5.030 3.855 3.827 3.890 . 0 0 "[ . 1 . 2]" 1
114 1 69 THR HA 1 69 THR MG . . 3.390 2.268 2.058 2.373 . 0 0 "[ . 1 . 2]" 1
115 1 63 VAL MG1 1 70 ALA MB . . 4.120 2.175 2.046 3.487 . 0 0 "[ . 1 . 2]" 1
116 1 63 VAL HB 1 70 ALA MB . . 4.380 4.411 4.386 4.439 0.059 5 0 "[ . 1 . 2]" 1
117 1 70 ALA HA 1 75 VAL HB . . 4.530 3.687 2.438 4.565 0.035 16 0 "[ . 1 . 2]" 1
118 1 32 ALA MB 1 78 ILE MD . . 5.230 1.863 1.814 1.917 . 0 0 "[ . 1 . 2]" 1
119 1 78 ILE HA 1 78 ILE MD . . 4.430 3.419 3.303 3.539 . 0 0 "[ . 1 . 2]" 1
120 1 70 ALA MB 1 78 ILE MG . . 4.420 3.234 2.562 3.502 . 0 0 "[ . 1 . 2]" 1
121 1 78 ILE MD 1 78 ILE MG . . 3.860 1.851 1.834 1.879 . 0 0 "[ . 1 . 2]" 1
122 1 70 ALA MB 1 78 ILE HB . . 5.500 5.387 4.957 5.518 0.018 20 0 "[ . 1 . 2]" 1
123 1 29 ASP HA 1 81 MET HA . . 4.240 2.128 1.992 2.359 . 0 0 "[ . 1 . 2]" 1
124 1 82 ILE MG 1 89 PRO HB3 . . 4.390 3.792 3.729 3.866 . 0 0 "[ . 1 . 2]" 1
125 1 82 ILE MD 1 82 ILE MG . . 3.380 2.027 1.927 2.116 . 0 0 "[ . 1 . 2]" 1
126 1 82 ILE MG 1 92 ARG HB3 . . 3.350 2.226 1.976 2.786 . 0 0 "[ . 1 . 2]" 1
127 1 82 ILE MD 1 92 ARG HB2 . . 4.770 3.398 2.011 4.331 . 0 0 "[ . 1 . 2]" 1
128 1 82 ILE MD 1 92 ARG HB3 . . 5.130 3.318 2.159 4.145 . 0 0 "[ . 1 . 2]" 1
129 1 48 ILE MD 1 102 LEU HB2 . . 4.040 2.509 2.048 3.365 . 0 0 "[ . 1 . 2]" 1
130 1 48 ILE MD 1 102 LEU HB3 . . 4.040 2.393 1.940 3.368 . 0 0 "[ . 1 . 2]" 1
131 1 83 LEU HA 1 83 LEU MD1 . . 3.740 2.970 2.473 3.378 . 0 0 "[ . 1 . 2]" 1
132 1 82 ILE MG 1 89 PRO HA . . 4.150 3.829 3.768 3.910 . 0 0 "[ . 1 . 2]" 1
133 1 82 ILE MG 1 89 PRO HB2 . . 4.390 4.407 4.394 4.417 0.027 15 0 "[ . 1 . 2]" 1
134 1 83 LEU HB3 1 89 PRO HA . . 5.500 5.515 5.502 5.534 0.034 16 0 "[ . 1 . 2]" 1
135 1 84 PHE HA 1 89 PRO HA . . 3.890 2.830 2.725 2.910 . 0 0 "[ . 1 . 2]" 1
136 1 85 LYS HB2 1 90 VAL MG1 . . 4.030 2.150 1.976 2.222 . 0 0 "[ . 1 . 2]" 1
137 1 90 VAL HA 1 90 VAL MG1 . . 3.500 2.155 2.119 2.191 . 0 0 "[ . 1 . 2]" 1
138 1 83 LEU HG 1 90 VAL MG2 . . 4.610 4.124 3.921 4.407 . 0 0 "[ . 1 . 2]" 1
139 1 85 LYS HB2 1 90 VAL MG2 . . 3.970 1.981 1.907 2.099 . 0 0 "[ . 1 . 2]" 1
140 1 93 ILE MG 1 94 VAL HA . . 4.900 3.675 3.399 3.913 . 0 0 "[ . 1 . 2]" 1
141 1 93 ILE HA 1 93 ILE MG . . 3.600 2.322 2.267 2.397 . 0 0 "[ . 1 . 2]" 1
142 1 93 ILE HA 1 93 ILE MD . . 4.500 2.451 1.961 3.873 . 0 0 "[ . 1 . 2]" 1
143 1 80 THR HA 1 94 VAL HA . . 4.140 2.279 2.015 2.932 . 0 0 "[ . 1 . 2]" 1
144 1 41 VAL HB 1 96 ALA MB . . 4.170 3.836 2.240 4.178 0.008 14 0 "[ . 1 . 2]" 1
145 1 99 LYS HA 1 101 ALA MB . . 5.080 4.632 4.444 4.908 . 0 0 "[ . 1 . 2]" 1
146 1 44 VAL MG2 1 99 LYS HA . . 4.320 3.336 3.006 3.907 . 0 0 "[ . 1 . 2]" 1
147 1 44 VAL MG1 1 99 LYS HA . . 3.580 2.030 1.876 2.416 . 0 0 "[ . 1 . 2]" 1
148 1 48 ILE MD 1 99 LYS HA . . 4.110 3.123 2.239 3.811 . 0 0 "[ . 1 . 2]" 1
149 1 100 ALA HA 1 103 LEU HB3 . . 4.390 4.237 3.776 4.405 0.015 19 0 "[ . 1 . 2]" 1
150 1 100 ALA HA 1 103 LEU HG . . 4.500 3.529 2.890 3.923 . 0 0 "[ . 1 . 2]" 1
151 1 100 ALA HA 1 103 LEU MD1 . . 3.930 2.304 1.943 2.700 . 0 0 "[ . 1 . 2]" 1
152 1 101 ALA HA 1 104 ARG H . . 4.240 3.756 3.593 3.950 . 0 0 "[ . 1 . 2]" 1
153 1 98 GLY H 1 101 ALA MB . . 4.250 3.434 2.855 3.971 . 0 0 "[ . 1 . 2]" 1
154 1 101 ALA HA 1 104 ARG HB3 . . 4.130 3.864 3.174 4.130 0.000 3 0 "[ . 1 . 2]" 1
155 1 103 LEU HA 1 103 LEU HG . . 3.780 2.828 2.786 2.922 . 0 0 "[ . 1 . 2]" 1
156 1 103 LEU HA 1 103 LEU MD2 . . 3.240 2.045 1.957 2.176 . 0 0 "[ . 1 . 2]" 1
157 1 103 LEU HB2 1 103 LEU MD1 . . 3.410 2.274 2.144 2.393 . 0 0 "[ . 1 . 2]" 1
158 1 106 LEU HA 1 109 ALA MB . . 4.190 2.484 2.043 2.920 . 0 0 "[ . 1 . 2]" 1
159 1 107 SER HA 1 110 LEU HG . . 5.500 3.971 2.061 5.500 . 2 0 "[ . 1 . 2]" 1
160 1 16 SER HA 1 20 LEU HB2 . . 4.410 3.930 3.822 3.981 . 0 0 "[ . 1 . 2]" 1
161 1 110 LEU HA 1 110 LEU HG . . 4.050 3.502 3.157 3.689 . 0 0 "[ . 1 . 2]" 1
162 1 1 MET HB2 1 2 SER H . . 4.270 3.311 2.349 4.266 . 0 0 "[ . 1 . 2]" 1
163 1 1 MET HB3 1 2 SER H . . 4.270 2.868 1.954 3.964 . 0 0 "[ . 1 . 2]" 1
164 1 2 SER HA 1 3 GLU H . . 2.830 2.333 2.140 2.594 . 0 0 "[ . 1 . 2]" 1
165 1 3 GLU H 1 3 GLU HB2 . . 4.070 2.931 2.271 3.879 . 0 0 "[ . 1 . 2]" 1
166 1 3 GLU H 1 3 GLU HB3 . . 4.070 3.529 2.597 3.908 . 0 0 "[ . 1 . 2]" 1
167 1 3 GLU H 1 4 ASP H . . 4.640 4.469 4.380 4.612 . 0 0 "[ . 1 . 2]" 1
168 1 3 GLU HA 1 4 ASP H . . 2.730 2.527 2.317 2.648 . 0 0 "[ . 1 . 2]" 1
169 1 3 GLU HB2 1 4 ASP H . . 3.670 3.037 2.007 3.670 0.000 19 0 "[ . 1 . 2]" 1
170 1 3 GLU HB3 1 4 ASP H . . 3.670 2.625 1.971 3.660 . 0 0 "[ . 1 . 2]" 1
171 1 5 SER H 1 7 THR H . . 5.010 4.882 4.264 5.009 . 0 0 "[ . 1 . 2]" 1
172 1 5 SER H 1 6 ALA H . . 3.590 2.646 1.958 3.573 . 0 0 "[ . 1 . 2]" 1
173 1 4 ASP HA 1 5 SER H . . 2.620 2.453 2.229 2.618 . 0 0 "[ . 1 . 2]" 1
174 1 5 SER H 1 6 ALA MB . . 4.550 3.888 3.322 4.467 . 0 0 "[ . 1 . 2]" 1
175 1 5 SER HA 1 6 ALA H . . 3.310 2.812 2.164 3.499 0.189 5 0 "[ . 1 . 2]" 1
176 1 5 SER HB2 1 6 ALA H . . 4.650 4.226 2.816 4.585 . 0 0 "[ . 1 . 2]" 1
177 1 5 SER HB3 1 6 ALA H . . 4.650 4.475 3.985 4.666 0.016 9 0 "[ . 1 . 2]" 1
178 1 6 ALA H 1 6 ALA MB . . 2.930 2.432 2.212 2.846 . 0 0 "[ . 1 . 2]" 1
179 1 6 ALA H 1 7 THR MG . . 4.520 3.274 2.831 4.452 . 0 0 "[ . 1 . 2]" 1
180 1 6 ALA H 1 7 THR H . . 3.120 2.840 2.513 3.030 . 0 0 "[ . 1 . 2]" 1
181 1 7 THR H 1 8 VAL H . . 4.620 4.195 3.960 4.377 . 0 0 "[ . 1 . 2]" 1
182 1 7 THR H 1 7 THR HB . . 4.000 3.858 3.738 3.947 . 0 0 "[ . 1 . 2]" 1
183 1 6 ALA HA 1 7 THR H . . 3.270 2.817 2.731 2.854 . 0 0 "[ . 1 . 2]" 1
184 1 7 THR H 1 8 VAL HB . . 4.730 4.630 4.346 4.731 0.001 6 0 "[ . 1 . 2]" 1
185 1 6 ALA MB 1 7 THR H . . 3.780 3.677 3.663 3.703 . 0 0 "[ . 1 . 2]" 1
186 1 7 THR H 1 7 THR MG . . 3.170 2.942 2.580 3.153 . 0 0 "[ . 1 . 2]" 1
187 1 8 VAL H 1 59 ALA HA . . 3.930 3.724 3.259 3.930 . 0 0 "[ . 1 . 2]" 1
188 1 7 THR HA 1 8 VAL H . . 3.000 2.147 2.141 2.167 . 0 0 "[ . 1 . 2]" 1
189 1 7 THR HB 1 8 VAL H . . 3.660 3.421 3.160 3.619 . 0 0 "[ . 1 . 2]" 1
190 1 8 VAL H 1 8 VAL HB . . 3.430 3.266 3.086 3.421 . 0 0 "[ . 1 . 2]" 1
191 1 8 VAL H 1 9 ALA MB . . 5.500 5.255 5.087 5.374 . 0 0 "[ . 1 . 2]" 1
192 1 8 VAL H 1 57 THR MG . . 5.120 4.938 4.504 5.119 . 0 0 "[ . 1 . 2]" 1
193 1 7 THR MG 1 8 VAL H . . 4.250 4.080 3.934 4.192 . 0 0 "[ . 1 . 2]" 1
194 1 8 VAL H 1 8 VAL MG1 . . 3.000 2.145 1.992 2.343 . 0 0 "[ . 1 . 2]" 1
195 1 8 VAL H 1 58 VAL H . . 4.490 4.384 4.105 4.499 0.009 10 0 "[ . 1 . 2]" 1
196 1 8 VAL HA 1 9 ALA H . . 2.640 2.179 2.144 2.275 . 0 0 "[ . 1 . 2]" 1
197 1 9 ALA H 1 9 ALA MB . . 2.750 2.179 2.094 2.314 . 0 0 "[ . 1 . 2]" 1
198 1 8 VAL MG2 1 9 ALA H . . 3.150 2.400 2.033 2.688 . 0 0 "[ . 1 . 2]" 1
199 1 26 VAL H 1 27 LEU H . . 4.540 4.365 4.247 4.449 . 0 0 "[ . 1 . 2]" 1
200 1 26 VAL H 1 84 PHE H . . 4.130 3.763 3.623 4.028 . 0 0 "[ . 1 . 2]" 1
201 1 10 VAL H 1 11 THR H . . 4.670 4.476 4.429 4.537 . 0 0 "[ . 1 . 2]" 1
202 1 9 ALA HA 1 10 VAL H . . 2.800 2.297 2.189 2.434 . 0 0 "[ . 1 . 2]" 1
203 1 25 PRO HA 1 26 VAL H . . 2.960 2.213 2.151 2.293 . 0 0 "[ . 1 . 2]" 1
204 1 26 VAL H 1 84 PHE HB3 . . 4.460 4.121 3.668 4.453 . 0 0 "[ . 1 . 2]" 1
205 1 10 VAL H 1 10 VAL MG2 . . 4.240 2.104 1.926 2.267 . 0 0 "[ . 1 . 2]" 1
206 1 9 ALA MB 1 10 VAL H . . 3.120 2.691 2.350 3.000 . 0 0 "[ . 1 . 2]" 1
207 1 19 VAL MG1 1 26 VAL H . . 4.520 4.241 3.757 4.546 0.026 16 0 "[ . 1 . 2]" 1
208 1 11 THR H 1 12 ASP H . . 4.810 4.576 4.550 4.606 . 0 0 "[ . 1 . 2]" 1
209 1 11 THR H 1 11 THR HB . . 4.060 2.967 2.812 3.493 . 0 0 "[ . 1 . 2]" 1
210 1 10 VAL HA 1 11 THR H . . 3.040 2.450 2.325 2.573 . 0 0 "[ . 1 . 2]" 1
211 1 11 THR H 1 15 PHE HA . . 4.600 4.325 3.967 4.603 0.003 16 0 "[ . 1 . 2]" 1
212 1 10 VAL HB 1 11 THR H . . 3.830 2.294 2.042 2.578 . 0 0 "[ . 1 . 2]" 1
213 1 11 THR H 1 11 THR MG . . 3.910 3.703 3.137 3.838 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL MG1 1 11 THR H . . 4.060 3.641 3.431 3.775 . 0 0 "[ . 1 . 2]" 1
215 1 10 VAL MG2 1 11 THR H . . 4.060 3.323 2.934 3.556 . 0 0 "[ . 1 . 2]" 1
216 1 11 THR HA 1 12 ASP H . . 3.010 2.357 2.240 2.487 . 0 0 "[ . 1 . 2]" 1
217 1 12 ASP H 1 12 ASP HB2 . . 3.800 3.073 2.269 3.611 . 0 0 "[ . 1 . 2]" 1
218 1 11 THR MG 1 12 ASP H . . 3.570 2.252 1.953 3.290 . 0 0 "[ . 1 . 2]" 1
219 1 12 ASP H 1 12 ASP HB3 . . 3.800 2.695 2.284 3.585 . 0 0 "[ . 1 . 2]" 1
220 1 12 ASP H 1 13 ASP H . . 3.530 2.653 2.504 2.819 . 0 0 "[ . 1 . 2]" 1
221 1 11 THR HB 1 13 ASP H . . 3.300 3.187 2.486 3.300 . 0 0 "[ . 1 . 2]" 1
222 1 11 THR MG 1 13 ASP H . . 3.930 2.682 2.222 3.857 . 0 0 "[ . 1 . 2]" 1
223 1 14 SER H 1 16 SER H . . 5.500 5.504 5.463 5.515 0.015 9 0 "[ . 1 . 2]" 1
224 1 12 ASP H 1 14 SER H . . 4.800 4.022 3.759 4.442 . 0 0 "[ . 1 . 2]" 1
225 1 14 SER H 1 14 SER HB3 . . 3.530 3.207 2.531 3.582 0.052 16 0 "[ . 1 . 2]" 1
226 1 14 SER H 1 15 PHE HB3 . . 5.070 4.879 4.778 5.015 . 0 0 "[ . 1 . 2]" 1
227 1 11 THR MG 1 14 SER H . . 4.290 3.365 2.862 4.183 . 0 0 "[ . 1 . 2]" 1
228 1 14 SER H 1 15 PHE HB2 . . 4.930 4.589 4.477 4.707 . 0 0 "[ . 1 . 2]" 1
229 1 15 PHE H 1 15 PHE QD . . 4.160 4.092 4.071 4.112 . 0 0 "[ . 1 . 2]" 1
230 1 15 PHE H 1 16 SER HA . . 5.300 5.192 5.146 5.244 . 0 0 "[ . 1 . 2]" 1
231 1 15 PHE H 1 15 PHE HB2 . . 3.200 2.857 2.834 2.881 . 0 0 "[ . 1 . 2]" 1
232 1 15 PHE H 1 15 PHE HB3 . . 3.250 2.349 2.332 2.370 . 0 0 "[ . 1 . 2]" 1
233 1 10 VAL HB 1 15 PHE H . . 5.500 5.373 4.967 5.505 0.005 10 0 "[ . 1 . 2]" 1
234 1 15 PHE H 1 17 THR MG . . 4.740 3.527 3.484 3.587 . 0 0 "[ . 1 . 2]" 1
235 1 15 PHE H 1 19 VAL MG2 . . 5.500 5.457 5.347 5.507 0.007 4 0 "[ . 1 . 2]" 1
236 1 15 PHE H 1 16 SER H . . 3.560 2.625 2.538 2.700 . 0 0 "[ . 1 . 2]" 1
237 1 15 PHE QD 1 16 SER H . . 3.740 2.427 2.344 2.620 . 0 0 "[ . 1 . 2]" 1
238 1 15 PHE QE 1 16 SER H . . 5.320 4.663 4.573 4.846 . 0 0 "[ . 1 . 2]" 1
239 1 16 SER H 1 16 SER HA . . 2.870 2.797 2.760 2.840 . 0 0 "[ . 1 . 2]" 1
240 1 15 PHE HB2 1 16 SER H . . 3.930 3.734 3.695 3.813 . 0 0 "[ . 1 . 2]" 1
241 1 15 PHE HB3 1 16 SER H . . 3.410 2.265 2.209 2.380 . 0 0 "[ . 1 . 2]" 1
242 1 16 SER H 1 20 LEU HG . . 5.050 4.651 4.597 4.666 . 0 0 "[ . 1 . 2]" 1
243 1 16 SER H 1 17 THR MG . . 4.190 3.965 3.918 4.014 . 0 0 "[ . 1 . 2]" 1
244 1 16 SER H 1 20 LEU MD2 . . 5.500 5.517 5.511 5.524 0.024 17 0 "[ . 1 . 2]" 1
245 1 16 SER H 1 19 VAL HB . . 5.110 5.003 4.801 5.116 0.006 16 0 "[ . 1 . 2]" 1
246 1 16 SER H 1 19 VAL MG2 . . 5.180 4.569 4.444 4.698 . 0 0 "[ . 1 . 2]" 1
247 1 17 THR H 1 18 ASP H . . 3.000 2.702 2.663 2.726 . 0 0 "[ . 1 . 2]" 1
248 1 16 SER H 1 17 THR H . . 3.250 2.718 2.562 2.849 . 0 0 "[ . 1 . 2]" 1
249 1 15 PHE QD 1 17 THR H . . 5.290 4.821 4.775 4.908 . 0 0 "[ . 1 . 2]" 1
250 1 17 THR H 1 20 LEU H . . 5.500 4.893 4.820 4.954 . 0 0 "[ . 1 . 2]" 1
251 1 14 SER HA 1 17 THR H . . 4.140 3.503 3.352 3.588 . 0 0 "[ . 1 . 2]" 1
252 1 17 THR H 1 18 ASP HA . . 5.500 5.321 5.287 5.344 . 0 0 "[ . 1 . 2]" 1
253 1 15 PHE HA 1 17 THR H . . 4.580 4.564 4.482 4.599 0.019 18 0 "[ . 1 . 2]" 1
254 1 15 PHE HB3 1 17 THR H . . 5.180 4.718 4.658 4.787 . 0 0 "[ . 1 . 2]" 1
255 1 17 THR H 1 17 THR MG . . 3.280 2.235 2.190 2.313 . 0 0 "[ . 1 . 2]" 1
256 1 17 THR H 1 19 VAL MG2 . . 5.450 5.375 5.261 5.453 0.003 12 0 "[ . 1 . 2]" 1
257 1 16 SER H 1 18 ASP H . . 4.600 4.126 4.080 4.157 . 0 0 "[ . 1 . 2]" 1
258 1 18 ASP H 1 19 VAL H . . 3.350 2.541 2.360 2.630 . 0 0 "[ . 1 . 2]" 1
259 1 18 ASP H 1 20 LEU H . . 4.510 4.192 4.084 4.228 . 0 0 "[ . 1 . 2]" 1
260 1 17 THR HA 1 18 ASP H . . 3.480 3.498 3.491 3.504 0.024 20 0 "[ . 1 . 2]" 1
261 1 18 ASP H 1 19 VAL HA . . 5.270 5.130 4.995 5.191 . 0 0 "[ . 1 . 2]" 1
262 1 15 PHE HA 1 18 ASP H . . 4.080 3.701 3.561 3.886 . 0 0 "[ . 1 . 2]" 1
263 1 26 VAL H 1 84 PHE HB2 . . 4.120 3.226 2.855 3.651 . 0 0 "[ . 1 . 2]" 1
264 1 17 THR MG 1 18 ASP H . . 3.520 2.035 1.994 2.082 . 0 0 "[ . 1 . 2]" 1
265 1 10 VAL H 1 10 VAL MG1 . . 4.240 2.812 2.546 3.097 . 0 0 "[ . 1 . 2]" 1
266 1 18 ASP H 1 19 VAL MG2 . . 4.120 4.051 3.836 4.122 0.002 18 0 "[ . 1 . 2]" 1
267 1 15 PHE H 1 18 ASP H . . 5.500 4.582 4.483 4.755 . 0 0 "[ . 1 . 2]" 1
268 1 19 VAL H 1 20 LEU H . . 3.220 2.972 2.922 3.009 . 0 0 "[ . 1 . 2]" 1
269 1 16 SER H 1 19 VAL H . . 5.240 4.822 4.715 4.868 . 0 0 "[ . 1 . 2]" 1
270 1 16 SER HA 1 19 VAL H . . 4.150 3.615 3.389 3.724 . 0 0 "[ . 1 . 2]" 1
271 1 15 PHE HA 1 19 VAL H . . 4.120 3.839 3.776 4.067 . 0 0 "[ . 1 . 2]" 1
272 1 19 VAL H 1 20 LEU HB2 . . 5.370 5.296 5.233 5.325 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL H 1 20 LEU HG . . 4.510 4.436 4.357 4.481 . 0 0 "[ . 1 . 2]" 1
274 1 17 THR MG 1 19 VAL H . . 4.450 4.248 4.081 4.337 . 0 0 "[ . 1 . 2]" 1
275 1 10 VAL MG1 1 19 VAL H . . 5.500 4.607 4.377 4.953 . 0 0 "[ . 1 . 2]" 1
276 1 19 VAL H 1 28 VAL MG2 . . 5.500 5.439 5.154 5.518 0.018 4 0 "[ . 1 . 2]" 1
277 1 10 VAL MG2 1 19 VAL H . . 5.500 4.629 4.211 4.896 . 0 0 "[ . 1 . 2]" 1
278 1 19 VAL H 1 20 LEU MD2 . . 5.500 4.805 4.727 4.865 . 0 0 "[ . 1 . 2]" 1
279 1 19 VAL H 1 19 VAL HB . . 3.310 2.591 2.551 2.647 . 0 0 "[ . 1 . 2]" 1
280 1 19 VAL H 1 19 VAL MG2 . . 3.320 2.120 1.939 2.256 . 0 0 "[ . 1 . 2]" 1
281 1 19 VAL H 1 19 VAL MG1 . . 3.800 3.763 3.760 3.764 . 0 0 "[ . 1 . 2]" 1
282 1 16 SER H 1 20 LEU H . . 5.500 5.249 5.128 5.290 . 0 0 "[ . 1 . 2]" 1
283 1 20 LEU H 1 22 SER H . . 5.000 4.099 4.048 4.127 . 0 0 "[ . 1 . 2]" 1
284 1 18 ASP HA 1 20 LEU H . . 5.430 5.190 5.053 5.256 . 0 0 "[ . 1 . 2]" 1
285 1 20 LEU H 1 20 LEU HB3 . . 3.660 3.566 3.562 3.575 . 0 0 "[ . 1 . 2]" 1
286 1 20 LEU H 1 20 LEU HB2 . . 3.840 2.741 2.706 2.756 . 0 0 "[ . 1 . 2]" 1
287 1 20 LEU H 1 20 LEU HG . . 3.410 1.976 1.960 2.019 . 0 0 "[ . 1 . 2]" 1
288 1 20 LEU H 1 20 LEU MD1 . . 3.760 3.631 3.622 3.653 . 0 0 "[ . 1 . 2]" 1
289 1 19 VAL HB 1 20 LEU H . . 3.390 2.107 2.081 2.193 . 0 0 "[ . 1 . 2]" 1
290 1 19 VAL MG2 1 20 LEU H . . 3.890 3.627 3.577 3.690 . 0 0 "[ . 1 . 2]" 1
291 1 19 VAL MG1 1 20 LEU H . . 3.800 3.069 3.012 3.181 . 0 0 "[ . 1 . 2]" 1
292 1 19 VAL H 1 21 GLY H . . 4.140 3.885 3.822 3.922 . 0 0 "[ . 1 . 2]" 1
293 1 18 ASP H 1 21 GLY H . . 5.050 4.064 3.971 4.088 . 0 0 "[ . 1 . 2]" 1
294 1 17 THR HA 1 21 GLY H . . 3.710 3.620 3.425 3.718 0.008 7 0 "[ . 1 . 2]" 1
295 1 20 LEU HB3 1 21 GLY H . . 4.240 3.970 3.909 4.002 . 0 0 "[ . 1 . 2]" 1
296 1 20 LEU HB2 1 21 GLY H . . 3.980 2.758 2.663 2.804 . 0 0 "[ . 1 . 2]" 1
297 1 20 LEU HG 1 21 GLY H . . 4.430 3.970 3.916 4.009 . 0 0 "[ . 1 . 2]" 1
298 1 20 LEU MD1 1 21 GLY H . . 4.730 4.611 4.538 4.638 . 0 0 "[ . 1 . 2]" 1
299 1 20 LEU MD2 1 21 GLY H . . 4.510 4.429 4.361 4.456 . 0 0 "[ . 1 . 2]" 1
300 1 19 VAL HB 1 21 GLY H . . 4.610 4.506 4.450 4.555 . 0 0 "[ . 1 . 2]" 1
301 1 19 VAL MG2 1 21 GLY H . . 5.180 5.112 5.067 5.161 . 0 0 "[ . 1 . 2]" 1
302 1 19 VAL MG1 1 21 GLY H . . 5.130 4.802 4.763 4.869 . 0 0 "[ . 1 . 2]" 1
303 1 21 GLY H 1 22 SER H . . 3.240 2.572 2.565 2.643 . 0 0 "[ . 1 . 2]" 1
304 1 22 SER H 1 23 SER H . . 4.740 4.274 4.163 4.511 . 0 0 "[ . 1 . 2]" 1
305 1 20 LEU HB2 1 22 SER H . . 5.030 4.935 4.763 4.962 . 0 0 "[ . 1 . 2]" 1
306 1 20 LEU HB3 1 22 SER H . . 5.500 5.523 5.153 5.550 0.050 5 0 "[ . 1 . 2]" 1
307 1 19 VAL MG2 1 22 SER H . . 5.470 5.265 5.210 5.483 0.013 18 0 "[ . 1 . 2]" 1
308 1 19 VAL MG1 1 22 SER H . . 4.820 4.592 4.522 4.768 . 0 0 "[ . 1 . 2]" 1
309 1 23 SER H 1 24 LYS H . . 3.890 2.767 2.631 2.782 . 0 0 "[ . 1 . 2]" 1
310 1 22 SER H 1 24 LYS H . . 5.500 5.514 5.487 5.553 0.053 10 0 "[ . 1 . 2]" 1
311 1 22 SER HA 1 24 LYS H . . 4.060 3.630 3.481 3.814 . 0 0 "[ . 1 . 2]" 1
312 1 24 LYS H 1 24 LYS HB2 . . 3.950 2.573 2.147 3.629 . 0 0 "[ . 1 . 2]" 1
313 1 24 LYS H 1 24 LYS HB3 . . 3.950 3.341 2.728 3.589 . 0 0 "[ . 1 . 2]" 1
314 1 27 LEU H 1 57 THR H . . 4.220 3.918 3.521 4.237 0.017 10 0 "[ . 1 . 2]" 1
315 1 27 LEU H 1 57 THR HB . . 5.500 5.477 5.317 5.524 0.024 7 0 "[ . 1 . 2]" 1
316 1 26 VAL HA 1 27 LEU H . . 3.270 2.270 2.169 2.423 . 0 0 "[ . 1 . 2]" 1
317 1 27 LEU H 1 27 LEU HB3 . . 3.760 2.463 2.367 2.682 . 0 0 "[ . 1 . 2]" 1
318 1 26 VAL HB 1 27 LEU H . . 4.540 3.177 2.337 4.113 . 0 0 "[ . 1 . 2]" 1
319 1 27 LEU H 1 27 LEU HG . . 4.660 4.265 4.153 4.563 . 0 0 "[ . 1 . 2]" 1
320 1 27 LEU H 1 57 THR MG . . 4.490 2.902 2.709 3.102 . 0 0 "[ . 1 . 2]" 1
321 1 28 VAL H 1 84 PHE H . . 4.750 4.025 3.841 4.228 . 0 0 "[ . 1 . 2]" 1
322 1 28 VAL H 1 82 ILE H . . 4.080 3.875 3.586 4.060 . 0 0 "[ . 1 . 2]" 1
323 1 28 VAL H 1 84 PHE QE . . 4.500 3.412 2.961 3.825 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL H 1 84 PHE QD . . 4.560 2.935 2.684 3.207 . 0 0 "[ . 1 . 2]" 1
325 1 28 VAL H 1 81 MET HA . . 5.500 5.419 5.241 5.521 0.021 10 0 "[ . 1 . 2]" 1
326 1 28 VAL H 1 83 LEU HA . . 3.970 3.095 2.884 3.359 . 0 0 "[ . 1 . 2]" 1
327 1 27 LEU HA 1 28 VAL H . . 3.300 2.186 2.174 2.194 . 0 0 "[ . 1 . 2]" 1
328 1 28 VAL H 1 28 VAL HB . . 3.580 2.716 2.648 2.793 . 0 0 "[ . 1 . 2]" 1
329 1 27 LEU HB3 1 28 VAL H . . 4.590 4.220 4.169 4.260 . 0 0 "[ . 1 . 2]" 1
330 1 28 VAL H 1 82 ILE HB . . 4.610 4.126 3.803 4.349 . 0 0 "[ . 1 . 2]" 1
331 1 27 LEU HG 1 28 VAL H . . 4.110 3.066 2.415 3.304 . 0 0 "[ . 1 . 2]" 1
332 1 27 LEU HB2 1 28 VAL H . . 4.730 3.943 3.894 3.981 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL H 1 28 VAL MG1 . . 4.080 3.876 3.851 3.917 . 0 0 "[ . 1 . 2]" 1
334 1 29 ASP H 1 60 LYS HA . . 3.980 2.181 1.946 2.670 . 0 0 "[ . 1 . 2]" 1
335 1 28 VAL HA 1 29 ASP H . . 3.280 2.213 2.158 2.249 . 0 0 "[ . 1 . 2]" 1
336 1 28 VAL HB 1 29 ASP H . . 4.520 3.987 3.844 4.153 . 0 0 "[ . 1 . 2]" 1
337 1 28 VAL MG1 1 29 ASP H . . 3.820 2.200 1.978 2.443 . 0 0 "[ . 1 . 2]" 1
338 1 29 ASP H 1 61 ILE HB . . 5.500 4.955 4.598 5.247 . 0 0 "[ . 1 . 2]" 1
339 1 28 VAL MG2 1 29 ASP H . . 4.210 3.918 3.878 3.998 . 0 0 "[ . 1 . 2]" 1
340 1 30 PHE H 1 81 MET HA . . 4.640 2.874 2.320 3.343 . 0 0 "[ . 1 . 2]" 1
341 1 28 VAL MG1 1 30 PHE H . . 5.200 4.031 3.312 4.385 . 0 0 "[ . 1 . 2]" 1
342 1 30 PHE H 1 61 ILE MG . . 5.500 4.310 4.233 4.459 . 0 0 "[ . 1 . 2]" 1
343 1 30 PHE H 1 31 TRP H . . 4.860 4.449 4.303 4.537 . 0 0 "[ . 1 . 2]" 1
344 1 31 TRP H 1 61 ILE H . . 4.400 3.612 3.300 3.937 . 0 0 "[ . 1 . 2]" 1
345 1 31 TRP H 1 63 VAL H . . 4.520 4.013 3.953 4.101 . 0 0 "[ . 1 . 2]" 1
346 1 31 TRP H 1 80 THR H . . 5.160 4.990 4.862 5.102 . 0 0 "[ . 1 . 2]" 1
347 1 30 PHE HA 1 31 TRP H . . 3.090 2.147 2.138 2.178 . 0 0 "[ . 1 . 2]" 1
348 1 31 TRP H 1 62 ASP HA . . 4.810 4.605 4.423 4.760 . 0 0 "[ . 1 . 2]" 1
349 1 31 TRP H 1 63 VAL HB . . 5.500 5.459 4.247 5.562 0.062 12 0 "[ . 1 . 2]" 1
350 1 31 TRP H 1 61 ILE HB . . 4.610 4.633 4.575 4.658 0.048 1 0 "[ . 1 . 2]" 1
351 1 31 TRP H 1 61 ILE MG . . 3.860 2.107 2.073 2.163 . 0 0 "[ . 1 . 2]" 1
352 1 31 TRP H 1 61 ILE MD . . 5.480 5.331 5.154 5.428 . 0 0 "[ . 1 . 2]" 1
353 1 31 TRP H 1 32 ALA H . . 5.120 4.323 4.253 4.381 . 0 0 "[ . 1 . 2]" 1
354 1 31 TRP HA 1 32 ALA H . . 3.390 2.294 2.196 2.497 . 0 0 "[ . 1 . 2]" 1
355 1 31 TRP HB2 1 32 ALA H . . 4.220 3.180 2.228 4.273 0.053 20 0 "[ . 1 . 2]" 1
356 1 31 TRP HB3 1 32 ALA H . . 4.220 3.839 2.949 4.165 . 0 0 "[ . 1 . 2]" 1
357 1 32 ALA H 1 35 CYS HB2 . . 4.700 2.800 2.257 3.678 . 0 0 "[ . 1 . 2]" 1
358 1 32 ALA H 1 78 ILE HB . . 5.500 5.529 5.438 5.566 0.066 1 0 "[ . 1 . 2]" 1
359 1 32 ALA H 1 35 CYS HB3 . . 4.700 4.112 3.817 4.437 . 0 0 "[ . 1 . 2]" 1
360 1 32 ALA H 1 33 THR MG . . 5.500 5.524 5.292 5.674 0.174 18 0 "[ . 1 . 2]" 1
361 1 32 ALA H 1 32 ALA MB . . 3.640 2.238 2.139 2.305 . 0 0 "[ . 1 . 2]" 1
362 1 32 ALA H 1 78 ILE MD . . 4.040 3.401 2.962 3.794 . 0 0 "[ . 1 . 2]" 1
363 1 32 ALA H 1 33 THR H . . 4.720 4.526 4.455 4.579 . 0 0 "[ . 1 . 2]" 1
364 1 33 THR H 1 34 TRP HA . . 5.500 5.216 4.948 5.369 . 0 0 "[ . 1 . 2]" 1
365 1 33 THR H 1 33 THR HB . . 3.910 3.311 2.712 3.663 . 0 0 "[ . 1 . 2]" 1
366 1 32 ALA HA 1 33 THR H . . 3.190 2.282 2.165 2.540 . 0 0 "[ . 1 . 2]" 1
367 1 33 THR H 1 33 THR MG . . 3.300 2.132 1.916 2.362 . 0 0 "[ . 1 . 2]" 1
368 1 32 ALA MB 1 33 THR H . . 3.420 2.755 2.262 3.084 . 0 0 "[ . 1 . 2]" 1
369 1 33 THR H 1 34 TRP H . . 3.790 2.593 2.315 2.763 . 0 0 "[ . 1 . 2]" 1
370 1 32 ALA HA 1 34 TRP H . . 4.740 4.063 3.786 4.435 . 0 0 "[ . 1 . 2]" 1
371 1 34 TRP H 1 34 TRP HB3 . . 3.990 3.327 2.695 3.713 . 0 0 "[ . 1 . 2]" 1
372 1 34 TRP H 1 35 CYS HB2 . . 5.220 4.710 4.600 4.887 . 0 0 "[ . 1 . 2]" 1
373 1 33 THR HB 1 34 TRP H . . 4.400 4.024 3.904 4.115 . 0 0 "[ . 1 . 2]" 1
374 1 34 TRP H 1 34 TRP HB2 . . 3.990 2.456 2.102 3.654 . 0 0 "[ . 1 . 2]" 1
375 1 34 TRP H 1 35 CYS HB3 . . 5.220 5.059 4.815 5.224 0.004 19 0 "[ . 1 . 2]" 1
376 1 33 THR MG 1 34 TRP H . . 4.020 3.171 1.921 4.002 . 0 0 "[ . 1 . 2]" 1
377 1 32 ALA MB 1 34 TRP H . . 3.570 2.548 2.361 2.829 . 0 0 "[ . 1 . 2]" 1
378 1 32 ALA H 1 35 CYS H . . 4.750 4.263 3.951 4.627 . 0 0 "[ . 1 . 2]" 1
379 1 34 TRP HB2 1 35 CYS H . . 4.910 3.892 3.170 4.485 . 0 0 "[ . 1 . 2]" 1
380 1 33 THR HA 1 35 CYS H . . 4.600 3.701 3.640 3.826 . 0 0 "[ . 1 . 2]" 1
381 1 34 TRP HB3 1 35 CYS H . . 4.910 4.049 3.235 4.599 . 0 0 "[ . 1 . 2]" 1
382 1 35 CYS H 1 35 CYS HB2 . . 3.500 2.527 2.316 2.626 . 0 0 "[ . 1 . 2]" 1
383 1 35 CYS H 1 35 CYS HB3 . . 3.500 2.538 2.432 2.775 . 0 0 "[ . 1 . 2]" 1
384 1 33 THR MG 1 35 CYS H . . 5.120 4.777 4.204 5.107 . 0 0 "[ . 1 . 2]" 1
385 1 32 ALA MB 1 35 CYS H . . 3.790 2.943 2.532 3.330 . 0 0 "[ . 1 . 2]" 1
386 1 35 CYS H 1 78 ILE MD . . 5.500 5.501 5.274 5.572 0.072 18 0 "[ . 1 . 2]" 1
387 1 35 CYS H 1 36 GLY H . . 5.500 4.529 4.385 4.620 . 0 0 "[ . 1 . 2]" 1
388 1 38 CYS H 1 39 LYS H . . 3.650 2.343 2.311 2.436 . 0 0 "[ . 1 . 2]" 1
389 1 38 CYS H 1 40 MET H . . 4.680 3.893 3.630 4.025 . 0 0 "[ . 1 . 2]" 1
390 1 38 CYS H 1 38 CYS HB2 . . 3.980 3.203 2.142 3.628 . 0 0 "[ . 1 . 2]" 1
391 1 38 CYS H 1 38 CYS HB3 . . 3.980 2.879 2.754 3.334 . 0 0 "[ . 1 . 2]" 1
392 1 38 CYS H 1 42 ALA MB . . 5.500 5.538 5.522 5.568 0.068 17 0 "[ . 1 . 2]" 1
393 1 39 LYS H 1 40 MET H . . 3.250 2.544 2.448 2.774 . 0 0 "[ . 1 . 2]" 1
394 1 37 PRO HA 1 39 LYS H . . 5.070 3.588 3.466 3.866 . 0 0 "[ . 1 . 2]" 1
395 1 39 LYS H 1 40 MET HA . . 5.360 5.152 5.074 5.340 . 0 0 "[ . 1 . 2]" 1
396 1 38 CYS HB2 1 39 LYS H . . 4.260 3.629 2.927 3.841 . 0 0 "[ . 1 . 2]" 1
397 1 38 CYS HB3 1 39 LYS H . . 4.260 3.665 2.787 4.027 . 0 0 "[ . 1 . 2]" 1
398 1 40 MET H 1 43 PRO HD2 . . 5.290 5.234 5.166 5.297 0.007 5 0 "[ . 1 . 2]" 1
399 1 40 MET H 1 42 ALA MB . . 4.480 4.347 4.270 4.402 . 0 0 "[ . 1 . 2]" 1
400 1 40 MET H 1 41 VAL H . . 3.380 2.735 2.641 2.783 . 0 0 "[ . 1 . 2]" 1
401 1 41 VAL H 1 42 ALA H . . 3.530 2.366 2.318 2.464 . 0 0 "[ . 1 . 2]" 1
402 1 39 LYS H 1 41 VAL H . . 4.580 4.085 3.946 4.289 . 0 0 "[ . 1 . 2]" 1
403 1 41 VAL H 1 42 ALA HA . . 5.040 4.400 4.353 4.486 . 0 0 "[ . 1 . 2]" 1
404 1 41 VAL H 1 43 PRO HD2 . . 4.610 4.030 3.993 4.112 . 0 0 "[ . 1 . 2]" 1
405 1 40 MET HG3 1 41 VAL H . . 5.130 4.531 3.646 5.086 . 0 0 "[ . 1 . 2]" 1
406 1 41 VAL H 1 41 VAL HB . . 3.200 2.825 2.783 2.856 . 0 0 "[ . 1 . 2]" 1
407 1 41 VAL H 1 42 ALA MB . . 3.910 3.810 3.768 3.899 . 0 0 "[ . 1 . 2]" 1
408 1 41 VAL H 1 41 VAL MG1 . . 3.990 3.824 2.238 3.923 . 0 0 "[ . 1 . 2]" 1
409 1 41 VAL H 1 41 VAL MG2 . . 3.990 2.570 2.282 3.901 . 0 0 "[ . 1 . 2]" 1
410 1 40 MET HG2 1 41 VAL H . . 5.130 4.762 4.064 5.101 . 0 0 "[ . 1 . 2]" 1
411 1 39 LYS H 1 42 ALA H . . 5.500 4.742 4.674 4.835 . 0 0 "[ . 1 . 2]" 1
412 1 42 ALA H 1 44 VAL H . . 4.950 3.762 3.613 3.830 . 0 0 "[ . 1 . 2]" 1
413 1 39 LYS HA 1 42 ALA H . . 4.020 3.087 3.027 3.167 . 0 0 "[ . 1 . 2]" 1
414 1 42 ALA H 1 43 PRO HD2 . . 3.530 1.944 1.932 1.953 . 0 0 "[ . 1 . 2]" 1
415 1 40 MET HA 1 42 ALA H . . 4.600 4.087 4.032 4.120 . 0 0 "[ . 1 . 2]" 1
416 1 41 VAL HB 1 42 ALA H . . 4.300 3.971 3.939 4.435 0.135 17 0 "[ . 1 . 2]" 1
417 1 42 ALA H 1 43 PRO HG2 . . 4.710 4.161 4.149 4.171 . 0 0 "[ . 1 . 2]" 1
418 1 42 ALA H 1 42 ALA MB . . 2.930 2.079 2.072 2.083 . 0 0 "[ . 1 . 2]" 1
419 1 41 VAL MG1 1 42 ALA H . . 4.520 4.190 3.330 4.258 . 0 0 "[ . 1 . 2]" 1
420 1 41 VAL MG2 1 42 ALA H . . 4.520 4.143 4.112 4.279 . 0 0 "[ . 1 . 2]" 1
421 1 44 VAL H 1 45 LEU H . . 3.270 2.976 2.422 3.053 . 0 0 "[ . 1 . 2]" 1
422 1 44 VAL H 1 46 GLU H . . 4.210 3.967 3.796 4.031 . 0 0 "[ . 1 . 2]" 1
423 1 41 VAL HA 1 44 VAL H . . 3.940 3.284 3.228 3.327 . 0 0 "[ . 1 . 2]" 1
424 1 42 ALA HA 1 44 VAL H . . 4.890 4.538 4.156 4.662 . 0 0 "[ . 1 . 2]" 1
425 1 43 PRO HD2 1 44 VAL H . . 3.490 2.652 2.646 2.713 . 0 0 "[ . 1 . 2]" 1
426 1 44 VAL H 1 45 LEU HG . . 4.910 4.655 3.979 4.863 . 0 0 "[ . 1 . 2]" 1
427 1 43 PRO HG2 1 44 VAL H . . 3.470 2.342 2.225 2.743 . 0 0 "[ . 1 . 2]" 1
428 1 44 VAL H 1 44 VAL HB . . 3.080 2.575 2.466 2.601 . 0 0 "[ . 1 . 2]" 1
429 1 44 VAL H 1 44 VAL MG2 . . 3.000 2.087 1.924 2.276 . 0 0 "[ . 1 . 2]" 1
430 1 44 VAL H 1 44 VAL MG1 . . 3.900 3.765 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
431 1 43 PRO HA 1 45 LEU H . . 5.050 4.806 4.327 4.978 . 0 0 "[ . 1 . 2]" 1
432 1 44 VAL HB 1 45 LEU H . . 3.390 2.212 2.124 2.771 . 0 0 "[ . 1 . 2]" 1
433 1 45 LEU H 1 45 LEU HG . . 3.250 2.502 1.931 2.849 . 0 0 "[ . 1 . 2]" 1
434 1 44 VAL MG2 1 45 LEU H . . 4.410 3.697 3.658 3.906 . 0 0 "[ . 1 . 2]" 1
435 1 44 VAL MG1 1 45 LEU H . . 3.700 3.049 2.948 3.550 . 0 0 "[ . 1 . 2]" 1
436 1 45 LEU H 1 46 GLU H . . 3.350 2.716 2.394 2.776 . 0 0 "[ . 1 . 2]" 1
437 1 46 GLU H 1 48 ILE H . . 4.610 3.899 3.832 3.976 . 0 0 "[ . 1 . 2]" 1
438 1 46 GLU H 1 49 ALA H . . 5.160 4.467 4.423 4.514 . 0 0 "[ . 1 . 2]" 1
439 1 43 PRO HA 1 46 GLU H . . 3.650 3.441 3.315 3.583 . 0 0 "[ . 1 . 2]" 1
440 1 44 VAL HA 1 46 GLU H . . 4.740 4.199 4.125 4.287 . 0 0 "[ . 1 . 2]" 1
441 1 46 GLU H 1 47 GLU HA . . 5.500 5.336 5.042 5.396 . 0 0 "[ . 1 . 2]" 1
442 1 45 LEU HB2 1 46 GLU H . . 4.220 3.652 2.748 4.130 . 0 0 "[ . 1 . 2]" 1
443 1 45 LEU HG 1 46 GLU H . . 4.500 2.780 2.051 4.396 . 0 0 "[ . 1 . 2]" 1
444 1 45 LEU HB3 1 46 GLU H . . 4.220 3.862 3.799 4.124 . 0 0 "[ . 1 . 2]" 1
445 1 46 GLU H 1 49 ALA MB . . 4.840 4.475 4.434 4.535 . 0 0 "[ . 1 . 2]" 1
446 1 44 VAL MG1 1 46 GLU H . . 5.020 4.694 4.634 4.973 . 0 0 "[ . 1 . 2]" 1
447 1 47 GLU H 1 49 ALA H . . 4.530 4.073 3.877 4.107 . 0 0 "[ . 1 . 2]" 1
448 1 47 GLU H 1 48 ILE H . . 3.320 2.646 2.413 2.675 . 0 0 "[ . 1 . 2]" 1
449 1 45 LEU H 1 47 GLU H . . 5.500 4.658 3.903 4.799 . 0 0 "[ . 1 . 2]" 1
450 1 44 VAL H 1 47 GLU H . . 5.310 4.836 4.535 4.953 . 0 0 "[ . 1 . 2]" 1
451 1 43 PRO HA 1 47 GLU H . . 4.430 3.970 3.828 4.121 . 0 0 "[ . 1 . 2]" 1
452 1 44 VAL HA 1 47 GLU H . . 3.820 3.729 3.567 3.828 0.008 15 0 "[ . 1 . 2]" 1
453 1 47 GLU H 1 48 ILE HA . . 5.280 5.263 5.081 5.282 0.002 20 0 "[ . 1 . 2]" 1
454 1 47 GLU H 1 47 GLU HG2 . . 3.640 2.036 1.940 2.309 . 0 0 "[ . 1 . 2]" 1
455 1 47 GLU H 1 47 GLU HG3 . . 3.640 3.260 3.127 3.534 . 0 0 "[ . 1 . 2]" 1
456 1 47 GLU H 1 48 ILE HB . . 4.810 4.806 4.542 4.846 0.036 7 0 "[ . 1 . 2]" 1
457 1 47 GLU H 1 50 ALA MB . . 5.320 5.022 4.781 5.255 . 0 0 "[ . 1 . 2]" 1
458 1 47 GLU H 1 49 ALA MB . . 4.730 4.735 4.598 4.807 0.077 19 0 "[ . 1 . 2]" 1
459 1 44 VAL MG2 1 47 GLU H . . 5.500 5.376 5.228 5.459 . 0 0 "[ . 1 . 2]" 1
460 1 44 VAL MG1 1 47 GLU H . . 5.200 4.914 4.807 5.063 . 0 0 "[ . 1 . 2]" 1
461 1 48 ILE H 1 49 ALA H . . 3.550 2.568 2.435 2.656 . 0 0 "[ . 1 . 2]" 1
462 1 45 LEU HA 1 48 ILE H . . 3.650 3.662 3.611 3.700 0.050 15 0 "[ . 1 . 2]" 1
463 1 48 ILE H 1 48 ILE HB . . 2.930 2.433 2.377 2.458 . 0 0 "[ . 1 . 2]" 1
464 1 48 ILE H 1 49 ALA MB . . 4.390 4.192 4.084 4.281 . 0 0 "[ . 1 . 2]" 1
465 1 44 VAL MG2 1 48 ILE H . . 5.500 5.514 5.481 5.543 0.043 17 0 "[ . 1 . 2]" 1
466 1 49 ALA H 1 50 ALA H . . 3.220 2.606 2.468 2.693 . 0 0 "[ . 1 . 2]" 1
467 1 47 GLU HA 1 49 ALA H . . 4.580 4.295 4.210 4.442 . 0 0 "[ . 1 . 2]" 1
468 1 49 ALA H 1 51 GLU HB2 . . 5.290 4.678 4.553 4.933 . 0 0 "[ . 1 . 2]" 1
469 1 48 ILE HB 1 49 ALA H . . 3.250 2.790 2.763 2.817 . 0 0 "[ . 1 . 2]" 1
470 1 48 ILE MG 1 49 ALA H . . 3.490 3.443 3.343 3.497 0.007 19 0 "[ . 1 . 2]" 1
471 1 49 ALA H 1 49 ALA MB . . 2.830 2.124 2.093 2.172 . 0 0 "[ . 1 . 2]" 1
472 1 49 ALA H 1 50 ALA MB . . 4.320 4.264 4.185 4.354 0.034 18 0 "[ . 1 . 2]" 1
473 1 50 ALA H 1 51 GLU H . . 3.090 2.356 2.336 2.477 . 0 0 "[ . 1 . 2]" 1
474 1 48 ILE HA 1 50 ALA H . . 4.600 4.316 4.203 4.397 . 0 0 "[ . 1 . 2]" 1
475 1 50 ALA H 1 50 ALA MB . . 2.670 2.110 2.075 2.216 . 0 0 "[ . 1 . 2]" 1
476 1 49 ALA MB 1 50 ALA H . . 3.060 2.706 2.644 2.744 . 0 0 "[ . 1 . 2]" 1
477 1 50 ALA H 1 51 GLU HB2 . . 4.670 4.276 4.234 4.514 . 0 0 "[ . 1 . 2]" 1
478 1 48 ILE MG 1 50 ALA H . . 4.960 4.931 4.813 4.978 0.018 19 0 "[ . 1 . 2]" 1
479 1 51 GLU H 1 52 LYS H . . 3.280 3.062 2.962 3.100 . 0 0 "[ . 1 . 2]" 1
480 1 51 GLU H 1 52 LYS HA . . 5.500 5.456 5.419 5.511 0.011 7 0 "[ . 1 . 2]" 1
481 1 49 ALA HA 1 51 GLU H . . 4.830 4.374 4.068 4.523 . 0 0 "[ . 1 . 2]" 1
482 1 48 ILE HA 1 51 GLU H . . 3.860 3.312 3.192 3.452 . 0 0 "[ . 1 . 2]" 1
483 1 51 GLU H 1 51 GLU HG2 . . 3.710 2.801 2.483 2.957 . 0 0 "[ . 1 . 2]" 1
484 1 51 GLU H 1 51 GLU HG3 . . 3.710 3.701 3.600 3.735 0.025 15 0 "[ . 1 . 2]" 1
485 1 51 GLU H 1 51 GLU HB2 . . 2.970 2.240 2.199 2.348 . 0 0 "[ . 1 . 2]" 1
486 1 48 ILE HB 1 51 GLU H . . 5.500 5.438 5.348 5.509 0.009 9 0 "[ . 1 . 2]" 1
487 1 50 ALA MB 1 51 GLU H . . 3.080 2.894 2.833 3.020 . 0 0 "[ . 1 . 2]" 1
488 1 49 ALA MB 1 51 GLU H . . 4.630 4.425 4.313 4.492 . 0 0 "[ . 1 . 2]" 1
489 1 48 ILE MG 1 51 GLU H . . 4.560 4.518 4.380 4.571 0.011 5 0 "[ . 1 . 2]" 1
490 1 51 GLU H 1 58 VAL MG2 . . 5.500 5.439 4.597 5.532 0.032 10 0 "[ . 1 . 2]" 1
491 1 48 ILE MD 1 51 GLU H . . 5.500 4.788 4.614 4.941 . 0 0 "[ . 1 . 2]" 1
492 1 51 GLU H 1 58 VAL MG1 . . 5.500 5.432 5.114 5.561 0.061 9 0 "[ . 1 . 2]" 1
493 1 49 ALA HA 1 52 LYS H . . 4.560 4.437 4.067 4.569 0.009 12 0 "[ . 1 . 2]" 1
494 1 52 LYS H 1 53 GLY HA3 . . 4.790 4.554 4.355 4.678 . 0 0 "[ . 1 . 2]" 1
495 1 48 ILE HA 1 52 LYS H . . 5.160 4.269 3.789 4.949 . 0 0 "[ . 1 . 2]" 1
496 1 51 GLU HG2 1 52 LYS H . . 4.780 4.612 4.501 4.673 . 0 0 "[ . 1 . 2]" 1
497 1 51 GLU HG3 1 52 LYS H . . 4.780 4.655 4.616 4.759 . 0 0 "[ . 1 . 2]" 1
498 1 51 GLU HB2 1 52 LYS H . . 3.170 2.443 2.395 2.544 . 0 0 "[ . 1 . 2]" 1
499 1 52 LYS H 1 53 GLY H . . 2.950 2.494 2.167 2.623 . 0 0 "[ . 1 . 2]" 1
500 1 51 GLU H 1 53 GLY H . . 4.230 3.738 3.576 3.789 . 0 0 "[ . 1 . 2]" 1
501 1 53 GLY H 1 55 GLN H . . 4.690 4.289 4.129 4.766 0.076 16 0 "[ . 1 . 2]" 1
502 1 52 LYS HA 1 53 GLY H . . 3.450 3.089 3.034 3.439 . 0 0 "[ . 1 . 2]" 1
503 1 53 GLY H 1 53 GLY HA3 . . 2.950 2.304 2.294 2.355 . 0 0 "[ . 1 . 2]" 1
504 1 49 ALA HA 1 53 GLY H . . 4.950 4.738 4.008 4.958 0.008 12 0 "[ . 1 . 2]" 1
505 1 51 GLU HB2 1 53 GLY H . . 4.810 4.452 4.182 4.583 . 0 0 "[ . 1 . 2]" 1
506 1 52 LYS HB2 1 53 GLY H . . 5.070 4.066 3.085 4.510 . 0 0 "[ . 1 . 2]" 1
507 1 52 LYS HB3 1 53 GLY H . . 5.070 4.477 4.106 4.614 . 0 0 "[ . 1 . 2]" 1
508 1 54 ASP H 1 55 GLN H . . 2.860 2.449 2.152 2.759 . 0 0 "[ . 1 . 2]" 1
509 1 54 ASP H 1 56 LEU H . . 4.100 3.944 3.612 4.088 . 0 0 "[ . 1 . 2]" 1
510 1 53 GLY H 1 54 ASP H . . 3.300 2.659 2.444 2.808 . 0 0 "[ . 1 . 2]" 1
511 1 52 LYS HA 1 54 ASP H . . 3.760 3.389 3.087 3.541 . 0 0 "[ . 1 . 2]" 1
512 1 53 GLY HA3 1 54 ASP H . . 3.450 3.035 2.914 3.457 0.007 16 0 "[ . 1 . 2]" 1
513 1 14 SER H 1 14 SER HB2 . . 3.530 2.528 2.288 2.954 . 0 0 "[ . 1 . 2]" 1
514 1 52 LYS HA 1 55 GLN HE21 . . 4.990 3.208 2.010 4.658 . 0 0 "[ . 1 . 2]" 1
515 1 52 LYS HA 1 55 GLN HE22 . . 4.990 4.280 3.094 4.999 0.009 19 0 "[ . 1 . 2]" 1
516 1 55 GLN H 1 56 LEU H . . 2.860 2.393 1.969 2.529 . 0 0 "[ . 1 . 2]" 1
517 1 53 GLY HA2 1 56 LEU H . . 4.180 3.513 3.241 3.770 . 0 0 "[ . 1 . 2]" 1
518 1 55 GLN HB3 1 56 LEU H . . 4.070 3.888 3.765 4.065 . 0 0 "[ . 1 . 2]" 1
519 1 56 LEU H 1 56 LEU HB2 . . 3.960 3.864 2.969 3.998 0.038 3 0 "[ . 1 . 2]" 1
520 1 56 LEU H 1 56 LEU HB3 . . 3.960 2.994 2.219 3.230 . 0 0 "[ . 1 . 2]" 1
521 1 55 GLN HB2 1 56 LEU H . . 4.070 2.999 2.622 3.710 . 0 0 "[ . 1 . 2]" 1
522 1 56 LEU H 1 56 LEU HG . . 4.130 3.434 2.224 4.167 0.037 19 0 "[ . 1 . 2]" 1
523 1 56 LEU H 1 57 THR H . . 4.590 4.411 4.366 4.599 0.009 19 0 "[ . 1 . 2]" 1
524 1 26 VAL HA 1 57 THR H . . 3.560 2.887 2.628 3.356 . 0 0 "[ . 1 . 2]" 1
525 1 56 LEU HA 1 57 THR H . . 3.080 2.452 2.266 2.709 . 0 0 "[ . 1 . 2]" 1
526 1 57 THR H 1 57 THR HB . . 3.300 2.800 2.605 3.026 . 0 0 "[ . 1 . 2]" 1
527 1 56 LEU HB2 1 57 THR H . . 4.140 2.557 1.955 3.732 . 0 0 "[ . 1 . 2]" 1
528 1 56 LEU HG 1 57 THR H . . 3.630 3.144 2.438 3.644 0.014 5 0 "[ . 1 . 2]" 1
529 1 56 LEU HB3 1 57 THR H . . 4.140 3.880 3.516 4.074 . 0 0 "[ . 1 . 2]" 1
530 1 57 THR H 1 58 VAL H . . 4.730 4.494 4.310 4.587 . 0 0 "[ . 1 . 2]" 1
531 1 57 THR HA 1 58 VAL H . . 2.950 2.178 2.143 2.245 . 0 0 "[ . 1 . 2]" 1
532 1 58 VAL H 1 58 VAL HB . . 3.820 3.593 2.523 3.776 . 0 0 "[ . 1 . 2]" 1
533 1 57 THR MG 1 58 VAL H . . 4.080 3.890 3.605 4.178 0.098 19 0 "[ . 1 . 2]" 1
534 1 58 VAL H 1 58 VAL MG1 . . 3.650 2.973 2.657 3.827 0.177 12 0 "[ . 1 . 2]" 1
535 1 58 VAL H 1 58 VAL MG2 . . 3.650 2.005 1.899 2.856 . 0 0 "[ . 1 . 2]" 1
536 1 57 THR HB 1 58 VAL H . . 4.830 4.174 4.054 4.324 . 0 0 "[ . 1 . 2]" 1
537 1 30 PHE H 1 80 THR HB . . 5.130 3.735 2.671 5.189 0.059 20 0 "[ . 1 . 2]" 1
538 1 59 ALA H 1 60 LYS H . . 5.200 4.452 4.424 4.537 . 0 0 "[ . 1 . 2]" 1
539 1 58 VAL HA 1 59 ALA H . . 3.090 2.150 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
540 1 28 VAL HA 1 59 ALA H . . 3.940 2.725 2.615 2.854 . 0 0 "[ . 1 . 2]" 1
541 1 28 VAL HB 1 59 ALA H . . 5.500 5.531 5.504 5.565 0.065 12 0 "[ . 1 . 2]" 1
542 1 58 VAL HB 1 59 ALA H . . 4.560 3.451 3.068 4.351 . 0 0 "[ . 1 . 2]" 1
543 1 27 LEU HG 1 59 ALA H . . 4.790 3.767 3.288 4.802 0.012 19 0 "[ . 1 . 2]" 1
544 1 59 ALA H 1 59 ALA MB . . 3.370 2.503 2.368 2.610 . 0 0 "[ . 1 . 2]" 1
545 1 28 VAL MG1 1 59 ALA H . . 4.990 4.364 4.241 4.475 . 0 0 "[ . 1 . 2]" 1
546 1 28 VAL MG2 1 59 ALA H . . 3.660 3.511 3.268 3.670 0.010 3 0 "[ . 1 . 2]" 1
547 1 27 LEU HB3 1 59 ALA H . . 4.520 3.994 3.878 4.241 . 0 0 "[ . 1 . 2]" 1
548 1 29 ASP H 1 60 LYS H . . 5.040 4.399 4.161 4.746 . 0 0 "[ . 1 . 2]" 1
549 1 10 VAL H 1 60 LYS H . . 3.800 3.745 3.451 3.808 0.008 18 0 "[ . 1 . 2]" 1
550 1 59 ALA HA 1 60 LYS H . . 3.090 2.500 2.374 2.572 . 0 0 "[ . 1 . 2]" 1
551 1 9 ALA HA 1 60 LYS H . . 3.610 2.540 2.242 2.803 . 0 0 "[ . 1 . 2]" 1
552 1 28 VAL HA 1 60 LYS H . . 4.990 4.791 4.607 4.994 0.004 17 0 "[ . 1 . 2]" 1
553 1 60 LYS H 1 60 LYS HB3 . . 4.080 3.581 3.177 3.941 . 0 0 "[ . 1 . 2]" 1
554 1 9 ALA MB 1 60 LYS H . . 3.620 2.834 2.511 3.031 . 0 0 "[ . 1 . 2]" 1
555 1 59 ALA MB 1 60 LYS H . . 3.370 2.217 2.083 2.430 . 0 0 "[ . 1 . 2]" 1
556 1 60 LYS H 1 60 LYS HB2 . . 4.080 3.439 2.859 3.974 . 0 0 "[ . 1 . 2]" 1
557 1 28 VAL MG1 1 60 LYS H . . 4.920 4.177 3.927 4.528 . 0 0 "[ . 1 . 2]" 1
558 1 30 PHE H 1 61 ILE H . . 5.030 4.838 4.692 5.072 0.042 14 0 "[ . 1 . 2]" 1
559 1 60 LYS HA 1 61 ILE H . . 3.330 2.265 2.163 2.322 . 0 0 "[ . 1 . 2]" 1
560 1 29 ASP HB2 1 61 ILE H . . 5.500 5.016 3.948 5.537 0.037 20 0 "[ . 1 . 2]" 1
561 1 29 ASP HB3 1 61 ILE H . . 5.500 4.882 4.014 5.548 0.048 14 0 "[ . 1 . 2]" 1
562 1 61 ILE H 1 61 ILE HB . . 3.910 2.551 2.463 2.650 . 0 0 "[ . 1 . 2]" 1
563 1 61 ILE H 1 61 ILE HG12 . . 5.020 4.668 4.635 4.702 . 0 0 "[ . 1 . 2]" 1
564 1 61 ILE H 1 61 ILE MD . . 5.130 4.393 4.319 4.460 . 0 0 "[ . 1 . 2]" 1
565 1 61 ILE H 1 61 ILE MG . . 3.620 2.399 2.285 2.531 . 0 0 "[ . 1 . 2]" 1
566 1 9 ALA MB 1 61 ILE H . . 5.500 5.296 4.796 5.503 0.003 9 0 "[ . 1 . 2]" 1
567 1 61 ILE H 1 62 ASP H . . 4.930 4.549 4.532 4.561 . 0 0 "[ . 1 . 2]" 1
568 1 62 ASP H 1 63 VAL H . . 4.620 4.000 3.871 4.096 . 0 0 "[ . 1 . 2]" 1
569 1 31 TRP H 1 62 ASP H . . 5.500 5.486 5.380 5.556 0.056 6 0 "[ . 1 . 2]" 1
570 1 61 ILE HA 1 62 ASP H . . 3.300 2.428 2.390 2.484 . 0 0 "[ . 1 . 2]" 1
571 1 62 ASP H 1 62 ASP HB2 . . 3.610 2.585 2.359 3.652 0.042 17 0 "[ . 1 . 2]" 1
572 1 62 ASP H 1 62 ASP HB3 . . 3.610 3.337 2.908 3.546 . 0 0 "[ . 1 . 2]" 1
573 1 62 ASP H 1 65 ALA MB . . 4.240 3.976 3.836 4.078 . 0 0 "[ . 1 . 2]" 1
574 1 61 ILE HB 1 62 ASP H . . 4.070 3.906 3.861 3.940 . 0 0 "[ . 1 . 2]" 1
575 1 61 ILE HG12 1 62 ASP H . . 4.120 1.991 1.946 2.126 . 0 0 "[ . 1 . 2]" 1
576 1 61 ILE MG 1 62 ASP H . . 4.120 2.842 2.555 3.062 . 0 0 "[ . 1 . 2]" 1
577 1 63 VAL H 1 66 ASN H . . 4.880 4.890 4.764 4.935 0.055 1 0 "[ . 1 . 2]" 1
578 1 31 TRP HA 1 63 VAL H . . 5.500 5.375 5.158 5.546 0.046 1 0 "[ . 1 . 2]" 1
579 1 62 ASP HA 1 63 VAL H . . 3.170 2.194 2.170 2.208 . 0 0 "[ . 1 . 2]" 1
580 1 63 VAL H 1 63 VAL HB . . 3.880 2.568 2.208 2.609 . 0 0 "[ . 1 . 2]" 1
581 1 63 VAL H 1 63 VAL MG1 . . 3.860 3.716 2.753 3.767 . 0 0 "[ . 1 . 2]" 1
582 1 63 VAL H 1 63 VAL MG2 . . 3.860 2.084 1.923 3.610 . 0 0 "[ . 1 . 2]" 1
583 1 32 ALA MB 1 63 VAL H . . 4.770 3.996 3.794 4.395 . 0 0 "[ . 1 . 2]" 1
584 1 61 ILE MG 1 63 VAL H . . 4.960 3.126 2.966 3.292 . 0 0 "[ . 1 . 2]" 1
585 1 63 VAL H 1 64 ASP H . . 3.630 2.788 2.775 2.796 . 0 0 "[ . 1 . 2]" 1
586 1 62 ASP HA 1 64 ASP H . . 4.240 3.504 3.469 3.527 . 0 0 "[ . 1 . 2]" 1
587 1 64 ASP H 1 64 ASP HB2 . . 3.400 2.255 2.082 2.371 . 0 0 "[ . 1 . 2]" 1
588 1 63 VAL HB 1 64 ASP H . . 4.390 2.904 2.822 3.758 . 0 0 "[ . 1 . 2]" 1
589 1 100 ALA MB 1 101 ALA H . . 3.740 2.691 2.418 2.791 . 0 0 "[ . 1 . 2]" 1
590 1 63 VAL MG1 1 64 ASP H . . 4.320 3.549 2.180 3.662 . 0 0 "[ . 1 . 2]" 1
591 1 63 VAL MG2 1 64 ASP H . . 4.320 3.940 3.890 4.113 . 0 0 "[ . 1 . 2]" 1
592 1 32 ALA MB 1 64 ASP H . . 5.010 4.395 4.147 5.083 0.073 1 0 "[ . 1 . 2]" 1
593 1 64 ASP H 1 64 ASP HB3 . . 3.400 2.872 2.704 3.362 . 0 0 "[ . 1 . 2]" 1
594 1 64 ASP H 1 65 ALA HA . . 5.500 5.367 5.359 5.389 . 0 0 "[ . 1 . 2]" 1
595 1 64 ASP H 1 65 ALA H . . 3.130 2.764 2.752 2.794 . 0 0 "[ . 1 . 2]" 1
596 1 63 VAL H 1 65 ALA H . . 4.590 4.409 4.366 4.508 . 0 0 "[ . 1 . 2]" 1
597 1 65 ALA H 1 66 ASN HA . . 5.180 5.076 5.026 5.124 . 0 0 "[ . 1 . 2]" 1
598 1 63 VAL HA 1 65 ALA H . . 4.140 3.916 3.888 4.031 . 0 0 "[ . 1 . 2]" 1
599 1 62 ASP HA 1 65 ALA H . . 4.940 4.525 4.466 4.621 . 0 0 "[ . 1 . 2]" 1
600 1 64 ASP HB2 1 65 ALA H . . 3.890 3.733 3.196 3.883 . 0 0 "[ . 1 . 2]" 1
601 1 64 ASP HB3 1 65 ALA H . . 3.890 2.808 2.702 3.141 . 0 0 "[ . 1 . 2]" 1
602 1 62 ASP HB2 1 65 ALA H . . 4.710 4.042 2.715 4.557 . 0 0 "[ . 1 . 2]" 1
603 1 62 ASP HB3 1 65 ALA H . . 4.710 2.882 2.653 4.480 . 0 0 "[ . 1 . 2]" 1
604 1 65 ALA H 1 65 ALA MB . . 2.900 2.216 2.094 2.294 . 0 0 "[ . 1 . 2]" 1
605 1 61 ILE MG 1 65 ALA H . . 5.500 5.535 5.511 5.559 0.059 13 0 "[ . 1 . 2]" 1
606 1 64 ASP H 1 66 ASN H . . 4.120 4.120 4.082 4.133 0.013 7 0 "[ . 1 . 2]" 1
607 1 65 ALA H 1 66 ASN H . . 3.080 2.392 2.330 2.457 . 0 0 "[ . 1 . 2]" 1
608 1 63 VAL HA 1 66 ASN H . . 3.750 2.988 2.974 3.024 . 0 0 "[ . 1 . 2]" 1
609 1 66 ASN H 1 66 ASN HB2 . . 3.990 2.627 2.360 3.622 . 0 0 "[ . 1 . 2]" 1
610 1 66 ASN H 1 66 ASN HB3 . . 3.990 3.463 2.863 3.765 . 0 0 "[ . 1 . 2]" 1
611 1 65 ALA MB 1 66 ASN H . . 3.260 2.721 2.679 2.811 . 0 0 "[ . 1 . 2]" 1
612 1 63 VAL MG2 1 66 ASN H . . 4.890 4.849 4.023 4.909 0.019 5 0 "[ . 1 . 2]" 1
613 1 61 ILE HG12 1 66 ASN H . . 5.060 4.931 4.841 5.024 . 0 0 "[ . 1 . 2]" 1
614 1 61 ILE MD 1 66 ASN H . . 5.500 5.187 4.960 5.466 . 0 0 "[ . 1 . 2]" 1
615 1 64 ASP HA 1 66 ASN H . . 5.010 4.459 4.374 4.547 . 0 0 "[ . 1 . 2]" 1
616 1 66 ASN H 1 67 PRO HA . . 5.380 4.671 4.575 4.727 . 0 0 "[ . 1 . 2]" 1
617 1 68 ALA H 1 70 ALA H . . 5.080 4.854 4.473 4.910 . 0 0 "[ . 1 . 2]" 1
618 1 69 THR H 1 71 ARG H . . 4.880 4.105 3.926 4.251 . 0 0 "[ . 1 . 2]" 1
619 1 67 PRO HA 1 69 THR H . . 5.080 3.790 3.701 3.911 . 0 0 "[ . 1 . 2]" 1
620 1 69 THR H 1 69 THR HB . . 3.950 2.666 2.503 3.522 . 0 0 "[ . 1 . 2]" 1
621 1 69 THR H 1 71 ARG HB3 . . 5.200 5.023 4.820 5.225 0.025 16 0 "[ . 1 . 2]" 1
622 1 68 ALA MB 1 69 THR H . . 3.340 2.790 2.656 2.843 . 0 0 "[ . 1 . 2]" 1
623 1 69 THR H 1 69 THR MG . . 3.900 3.722 2.867 3.786 . 0 0 "[ . 1 . 2]" 1
624 1 69 THR H 1 70 ALA MB . . 4.710 4.357 4.107 4.451 . 0 0 "[ . 1 . 2]" 1
625 1 70 ALA H 1 71 ARG H . . 3.280 2.804 2.735 2.831 . 0 0 "[ . 1 . 2]" 1
626 1 69 THR H 1 70 ALA H . . 3.520 2.819 2.519 2.901 . 0 0 "[ . 1 . 2]" 1
627 1 70 ALA H 1 72 ASP H . . 4.290 4.011 3.780 4.140 . 0 0 "[ . 1 . 2]" 1
628 1 67 PRO HA 1 70 ALA H . . 4.060 3.437 3.070 3.542 . 0 0 "[ . 1 . 2]" 1
629 1 68 ALA HA 1 70 ALA H . . 5.170 5.100 4.773 5.172 0.002 13 0 "[ . 1 . 2]" 1
630 1 69 THR HB 1 70 ALA H . . 3.140 2.143 2.049 2.771 . 0 0 "[ . 1 . 2]" 1
631 1 70 ALA H 1 71 ARG HB3 . . 5.330 5.075 4.867 5.247 . 0 0 "[ . 1 . 2]" 1
632 1 70 ALA H 1 71 ARG HB2 . . 5.500 5.012 4.832 5.192 . 0 0 "[ . 1 . 2]" 1
633 1 70 ALA H 1 70 ALA MB . . 2.830 2.050 2.025 2.106 . 0 0 "[ . 1 . 2]" 1
634 1 69 THR MG 1 70 ALA H . . 3.960 3.238 2.967 3.905 . 0 0 "[ . 1 . 2]" 1
635 1 70 ALA H 1 78 ILE MD . . 4.430 3.929 3.678 4.141 . 0 0 "[ . 1 . 2]" 1
636 1 71 ARG H 1 73 PHE H . . 4.950 4.752 4.528 4.838 . 0 0 "[ . 1 . 2]" 1
637 1 67 PRO HA 1 71 ARG H . . 4.550 3.610 3.493 3.833 . 0 0 "[ . 1 . 2]" 1
638 1 71 ARG H 1 71 ARG HB3 . . 3.050 2.704 2.552 2.871 . 0 0 "[ . 1 . 2]" 1
639 1 71 ARG H 1 71 ARG HB2 . . 3.310 2.363 2.230 2.500 . 0 0 "[ . 1 . 2]" 1
640 1 70 ALA MB 1 71 ARG H . . 3.090 2.467 2.364 2.650 . 0 0 "[ . 1 . 2]" 1
641 1 68 ALA MB 1 71 ARG H . . 5.240 5.106 4.910 5.242 0.002 16 0 "[ . 1 . 2]" 1
642 1 69 THR MG 1 71 ARG H . . 5.500 5.208 4.988 5.514 0.014 20 0 "[ . 1 . 2]" 1
643 1 71 ARG H 1 78 ILE MD . . 5.500 5.449 5.281 5.538 0.038 2 0 "[ . 1 . 2]" 1
644 1 71 ARG H 1 72 ASP H . . 3.270 2.751 2.617 2.780 . 0 0 "[ . 1 . 2]" 1
645 1 69 THR HA 1 72 ASP H . . 3.980 3.801 3.502 3.875 . 0 0 "[ . 1 . 2]" 1
646 1 72 ASP H 1 72 ASP HB2 . . 3.590 2.192 2.075 2.349 . 0 0 "[ . 1 . 2]" 1
647 1 71 ARG HB3 1 72 ASP H . . 3.290 2.861 2.773 2.967 . 0 0 "[ . 1 . 2]" 1
648 1 72 ASP H 1 72 ASP HB3 . . 3.590 2.981 2.740 3.336 . 0 0 "[ . 1 . 2]" 1
649 1 70 ALA MB 1 72 ASP H . . 4.480 4.253 4.134 4.419 . 0 0 "[ . 1 . 2]" 1
650 1 68 ALA MB 1 72 ASP H . . 4.930 4.788 4.716 4.866 . 0 0 "[ . 1 . 2]" 1
651 1 69 THR MG 1 72 ASP H . . 5.090 4.779 4.626 5.079 . 0 0 "[ . 1 . 2]" 1
652 1 73 PHE H 1 74 GLN H . . 3.160 2.509 2.441 2.569 . 0 0 "[ . 1 . 2]" 1
653 1 72 ASP H 1 73 PHE H . . 3.450 2.949 2.792 2.980 . 0 0 "[ . 1 . 2]" 1
654 1 70 ALA HA 1 73 PHE H . . 4.050 3.789 3.677 3.962 . 0 0 "[ . 1 . 2]" 1
655 1 73 PHE H 1 73 PHE HB2 . . 3.620 2.590 2.285 2.826 . 0 0 "[ . 1 . 2]" 1
656 1 72 ASP HB2 1 73 PHE H . . 3.770 3.412 2.899 3.681 . 0 0 "[ . 1 . 2]" 1
657 1 73 PHE H 1 73 PHE HB3 . . 3.620 3.118 2.733 3.605 . 0 0 "[ . 1 . 2]" 1
658 1 72 ASP HB3 1 73 PHE H . . 3.770 2.377 2.289 2.707 . 0 0 "[ . 1 . 2]" 1
659 1 70 ALA MB 1 73 PHE H . . 4.950 4.782 4.665 4.931 . 0 0 "[ . 1 . 2]" 1
660 1 69 THR MG 1 73 PHE H . . 5.500 5.176 4.948 5.515 0.015 20 0 "[ . 1 . 2]" 1
661 1 74 GLN H 1 75 VAL H . . 3.330 3.003 2.968 3.022 . 0 0 "[ . 1 . 2]" 1
662 1 74 GLN H 1 74 GLN HA . . 2.770 2.284 2.281 2.286 . 0 0 "[ . 1 . 2]" 1
663 1 74 GLN H 1 74 GLN HB2 . . 4.100 3.460 3.199 3.635 . 0 0 "[ . 1 . 2]" 1
664 1 70 ALA MB 1 74 GLN H . . 5.170 4.946 4.802 5.065 . 0 0 "[ . 1 . 2]" 1
665 1 74 GLN H 1 75 VAL HB . . 5.500 5.170 4.958 5.328 . 0 0 "[ . 1 . 2]" 1
666 1 74 GLN H 1 74 GLN HB3 . . 4.100 3.991 3.935 4.041 . 0 0 "[ . 1 . 2]" 1
667 1 71 ARG HA 1 74 GLN H . . 3.940 3.100 3.040 3.401 . 0 0 "[ . 1 . 2]" 1
668 1 75 VAL H 1 76 VAL H . . 4.550 4.451 4.347 4.534 . 0 0 "[ . 1 . 2]" 1
669 1 73 PHE H 1 75 VAL H . . 4.340 3.630 3.505 4.023 . 0 0 "[ . 1 . 2]" 1
670 1 70 ALA H 1 75 VAL H . . 5.500 5.565 5.515 5.674 0.174 14 0 "[ . 1 . 2]" 1
671 1 71 ARG HA 1 75 VAL H . . 4.410 3.678 3.312 3.901 . 0 0 "[ . 1 . 2]" 1
672 1 74 GLN HA 1 75 VAL H . . 3.040 2.601 2.593 2.631 . 0 0 "[ . 1 . 2]" 1
673 1 74 GLN HB2 1 75 VAL H . . 4.710 4.388 4.328 4.471 . 0 0 "[ . 1 . 2]" 1
674 1 75 VAL H 1 75 VAL HB . . 3.170 2.902 2.596 3.168 . 0 0 "[ . 1 . 2]" 1
675 1 74 GLN HB3 1 75 VAL H . . 4.710 4.385 4.319 4.445 . 0 0 "[ . 1 . 2]" 1
676 1 70 ALA MB 1 75 VAL H . . 4.080 3.172 3.053 3.434 . 0 0 "[ . 1 . 2]" 1
677 1 75 VAL H 1 75 VAL MG1 . . 3.940 2.734 1.921 3.872 . 0 0 "[ . 1 . 2]" 1
678 1 75 VAL H 1 75 VAL MG2 . . 3.940 3.324 2.470 3.905 . 0 0 "[ . 1 . 2]" 1
679 1 75 VAL HA 1 76 VAL H . . 3.050 2.205 2.148 2.315 . 0 0 "[ . 1 . 2]" 1
680 1 76 VAL H 1 76 VAL HB . . 3.870 3.157 2.516 3.727 . 0 0 "[ . 1 . 2]" 1
681 1 75 VAL HB 1 76 VAL H . . 4.780 4.015 3.732 4.211 . 0 0 "[ . 1 . 2]" 1
682 1 75 VAL MG1 1 76 VAL H . . 4.090 3.235 2.116 4.012 . 0 0 "[ . 1 . 2]" 1
683 1 75 VAL MG2 1 76 VAL H . . 4.090 3.068 2.020 4.096 0.006 1 0 "[ . 1 . 2]" 1
684 1 76 VAL H 1 77 SER H . . 3.090 2.193 2.014 2.344 . 0 0 "[ . 1 . 2]" 1
685 1 77 SER H 1 78 ILE H . . 4.540 4.304 4.201 4.453 . 0 0 "[ . 1 . 2]" 1
686 1 75 VAL MG1 1 77 SER H . . 4.830 3.351 2.188 4.291 . 0 0 "[ . 1 . 2]" 1
687 1 76 VAL HB 1 77 SER H . . 4.070 3.839 2.643 3.990 . 0 0 "[ . 1 . 2]" 1
688 1 75 VAL HB 1 77 SER H . . 4.950 4.758 4.464 4.973 0.023 16 0 "[ . 1 . 2]" 1
689 1 75 VAL MG2 1 77 SER H . . 4.830 3.255 2.054 4.885 0.055 12 0 "[ . 1 . 2]" 1
690 1 77 SER HA 1 78 ILE H . . 3.080 2.147 2.138 2.197 . 0 0 "[ . 1 . 2]" 1
691 1 78 ILE H 1 78 ILE HB . . 3.910 3.738 3.647 3.823 . 0 0 "[ . 1 . 2]" 1
692 1 78 ILE H 1 78 ILE MD . . 4.310 2.318 1.983 2.506 . 0 0 "[ . 1 . 2]" 1
693 1 108 ASP H 1 109 ALA H . . 2.770 2.479 2.272 2.745 . 0 0 "[ . 1 . 2]" 1
694 1 30 PHE H 1 80 THR H . . 4.200 3.645 3.193 4.098 . 0 0 "[ . 1 . 2]" 1
695 1 79 PRO HA 1 80 THR H . . 3.230 2.357 2.179 2.446 . 0 0 "[ . 1 . 2]" 1
696 1 80 THR H 1 80 THR MG . . 4.370 3.656 2.302 3.997 . 0 0 "[ . 1 . 2]" 1
697 1 80 THR H 1 81 MET H . . 4.760 4.438 4.194 4.541 . 0 0 "[ . 1 . 2]" 1
698 1 80 THR HA 1 81 MET H . . 3.250 2.284 2.143 2.333 . 0 0 "[ . 1 . 2]" 1
699 1 81 MET H 1 94 VAL HA . . 4.270 3.326 3.036 4.167 . 0 0 "[ . 1 . 2]" 1
700 1 80 THR HB 1 81 MET H . . 5.000 3.721 3.157 4.282 . 0 0 "[ . 1 . 2]" 1
701 1 81 MET H 1 81 MET HB2 . . 4.040 2.972 2.289 3.401 . 0 0 "[ . 1 . 2]" 1
702 1 81 MET H 1 81 MET HB3 . . 4.040 3.084 2.447 3.781 . 0 0 "[ . 1 . 2]" 1
703 1 81 MET H 1 93 ILE HB . . 4.490 3.586 2.102 3.936 . 0 0 "[ . 1 . 2]" 1
704 1 80 THR MG 1 81 MET H . . 3.830 2.365 1.896 3.497 . 0 0 "[ . 1 . 2]" 1
705 1 81 MET H 1 93 ILE MG . . 4.430 4.121 3.385 4.355 . 0 0 "[ . 1 . 2]" 1
706 1 81 MET H 1 82 ILE H . . 4.810 4.183 3.930 4.560 . 0 0 "[ . 1 . 2]" 1
707 1 81 MET HA 1 82 ILE H . . 3.150 2.163 2.143 2.269 . 0 0 "[ . 1 . 2]" 1
708 1 28 VAL HB 1 82 ILE H . . 4.710 4.171 3.606 4.494 . 0 0 "[ . 1 . 2]" 1
709 1 82 ILE H 1 82 ILE HB . . 3.470 2.732 2.655 2.872 . 0 0 "[ . 1 . 2]" 1
710 1 27 LEU HG 1 82 ILE H . . 5.500 5.205 3.948 5.509 0.009 13 0 "[ . 1 . 2]" 1
711 1 80 THR MG 1 82 ILE H . . 4.640 4.232 3.689 4.650 0.010 10 0 "[ . 1 . 2]" 1
712 1 82 ILE H 1 82 ILE MG . . 4.050 3.887 3.844 3.948 . 0 0 "[ . 1 . 2]" 1
713 1 83 LEU H 1 84 PHE H . . 4.920 4.493 4.391 4.529 . 0 0 "[ . 1 . 2]" 1
714 1 83 LEU H 1 93 ILE H . . 5.180 4.743 4.466 5.142 . 0 0 "[ . 1 . 2]" 1
715 1 82 ILE H 1 83 LEU H . . 4.750 4.414 4.221 4.486 . 0 0 "[ . 1 . 2]" 1
716 1 83 LEU H 1 90 VAL H . . 5.060 4.324 4.132 4.500 . 0 0 "[ . 1 . 2]" 1
717 1 82 ILE HA 1 83 LEU H . . 3.200 2.179 2.147 2.217 . 0 0 "[ . 1 . 2]" 1
718 1 83 LEU H 1 83 LEU HB3 . . 3.540 3.356 3.244 3.502 . 0 0 "[ . 1 . 2]" 1
719 1 83 LEU H 1 83 LEU HG . . 4.440 4.249 3.974 4.405 . 0 0 "[ . 1 . 2]" 1
720 1 83 LEU H 1 83 LEU HB2 . . 3.790 2.267 2.200 2.321 . 0 0 "[ . 1 . 2]" 1
721 1 83 LEU H 1 83 LEU MD1 . . 3.380 3.227 2.728 3.392 0.012 16 0 "[ . 1 . 2]" 1
722 1 82 ILE MG 1 83 LEU H . . 3.550 2.470 2.233 2.698 . 0 0 "[ . 1 . 2]" 1
723 1 83 LEU H 1 92 ARG HB3 . . 4.530 4.056 3.267 4.532 0.002 15 0 "[ . 1 . 2]" 1
724 1 84 PHE H 1 84 PHE QD . . 3.950 2.549 2.437 2.696 . 0 0 "[ . 1 . 2]" 1
725 1 83 LEU HA 1 84 PHE H . . 3.380 2.192 2.146 2.201 . 0 0 "[ . 1 . 2]" 1
726 1 27 LEU HA 1 84 PHE H . . 4.240 2.620 2.500 2.704 . 0 0 "[ . 1 . 2]" 1
727 1 84 PHE H 1 89 PRO HA . . 5.470 5.381 5.275 5.468 . 0 0 "[ . 1 . 2]" 1
728 1 84 PHE H 1 84 PHE HB3 . . 3.790 3.770 3.701 3.796 0.006 14 0 "[ . 1 . 2]" 1
729 1 83 LEU HB3 1 84 PHE H . . 4.250 3.282 3.110 3.568 . 0 0 "[ . 1 . 2]" 1
730 1 83 LEU HG 1 84 PHE H . . 4.150 3.408 3.202 3.691 . 0 0 "[ . 1 . 2]" 1
731 1 83 LEU HB2 1 84 PHE H . . 4.590 4.337 4.258 4.472 . 0 0 "[ . 1 . 2]" 1
732 1 19 VAL MG1 1 84 PHE H . . 5.270 4.723 4.287 5.231 . 0 0 "[ . 1 . 2]" 1
733 1 84 PHE H 1 85 LYS H . . 4.450 4.284 4.249 4.385 . 0 0 "[ . 1 . 2]" 1
734 1 84 PHE QD 1 85 LYS H . . 4.730 4.444 4.343 4.476 . 0 0 "[ . 1 . 2]" 1
735 1 84 PHE HA 1 85 LYS H . . 2.960 2.140 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
736 1 85 LYS H 1 89 PRO HA . . 3.860 3.788 3.635 3.865 0.005 8 0 "[ . 1 . 2]" 1
737 1 84 PHE HB3 1 85 LYS H . . 3.690 3.415 3.353 3.430 . 0 0 "[ . 1 . 2]" 1
738 1 85 LYS H 1 85 LYS HB3 . . 3.530 3.044 2.941 3.156 . 0 0 "[ . 1 . 2]" 1
739 1 85 LYS H 1 90 VAL MG2 . . 3.450 2.401 2.275 2.550 . 0 0 "[ . 1 . 2]" 1
740 1 85 LYS H 1 85 LYS HB2 . . 3.820 2.748 2.671 2.816 . 0 0 "[ . 1 . 2]" 1
741 1 85 LYS H 1 90 VAL MG1 . . 3.720 2.501 2.431 2.614 . 0 0 "[ . 1 . 2]" 1
742 1 85 LYS H 1 86 ASP H . . 4.520 4.305 4.284 4.340 . 0 0 "[ . 1 . 2]" 1
743 1 85 LYS HA 1 86 ASP H . . 2.930 2.152 2.145 2.162 . 0 0 "[ . 1 . 2]" 1
744 1 86 ASP H 1 86 ASP HA . . 2.890 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
745 1 86 ASP H 1 86 ASP HB2 . . 4.050 3.282 3.088 3.742 . 0 0 "[ . 1 . 2]" 1
746 1 86 ASP H 1 86 ASP HB3 . . 4.050 3.826 3.678 4.055 0.005 6 0 "[ . 1 . 2]" 1
747 1 85 LYS HB3 1 86 ASP H . . 4.010 3.864 3.713 3.968 . 0 0 "[ . 1 . 2]" 1
748 1 85 LYS HB2 1 86 ASP H . . 4.660 4.433 4.387 4.467 . 0 0 "[ . 1 . 2]" 1
749 1 86 ASP H 1 90 VAL MG2 . . 5.500 5.495 5.405 5.523 0.023 10 0 "[ . 1 . 2]" 1
750 1 86 ASP H 1 87 GLY H . . 3.480 2.624 2.609 2.684 . 0 0 "[ . 1 . 2]" 1
751 1 85 LYS H 1 87 GLY H . . 5.010 4.295 4.253 4.363 . 0 0 "[ . 1 . 2]" 1
752 1 84 PHE QD 1 87 GLY H . . 5.500 5.489 5.372 5.514 0.014 15 0 "[ . 1 . 2]" 1
753 1 87 GLY H 1 88 ALA HA . . 5.370 5.212 5.197 5.227 . 0 0 "[ . 1 . 2]" 1
754 1 86 ASP HA 1 87 GLY H . . 3.280 2.884 2.876 2.894 . 0 0 "[ . 1 . 2]" 1
755 1 85 LYS HA 1 87 GLY H . . 4.370 3.643 3.612 3.669 . 0 0 "[ . 1 . 2]" 1
756 1 84 PHE HB3 1 87 GLY H . . 4.610 4.112 4.032 4.230 . 0 0 "[ . 1 . 2]" 1
757 1 85 LYS HB3 1 87 GLY H . . 5.400 5.343 5.312 5.374 . 0 0 "[ . 1 . 2]" 1
758 1 87 GLY H 1 88 ALA MB . . 4.760 4.507 4.461 4.570 . 0 0 "[ . 1 . 2]" 1
759 1 86 ASP H 1 88 ALA H . . 4.410 4.063 4.049 4.105 . 0 0 "[ . 1 . 2]" 1
760 1 87 GLY H 1 88 ALA H . . 3.230 2.588 2.571 2.610 . 0 0 "[ . 1 . 2]" 1
761 1 85 LYS H 1 88 ALA H . . 3.310 3.072 3.017 3.154 . 0 0 "[ . 1 . 2]" 1
762 1 84 PHE QD 1 88 ALA H . . 4.650 4.449 4.325 4.502 . 0 0 "[ . 1 . 2]" 1
763 1 85 LYS HA 1 88 ALA H . . 4.590 4.267 4.238 4.284 . 0 0 "[ . 1 . 2]" 1
764 1 84 PHE HB3 1 88 ALA H . . 4.220 3.812 3.695 4.020 . 0 0 "[ . 1 . 2]" 1
765 1 85 LYS HB3 1 88 ALA H . . 4.710 4.645 4.556 4.713 0.003 17 0 "[ . 1 . 2]" 1
766 1 88 ALA H 1 88 ALA MB . . 2.800 2.586 2.546 2.633 . 0 0 "[ . 1 . 2]" 1
767 1 88 ALA H 1 90 VAL MG1 . . 4.660 4.360 4.317 4.436 . 0 0 "[ . 1 . 2]" 1
768 1 85 LYS H 1 90 VAL H . . 4.070 3.668 3.539 3.761 . 0 0 "[ . 1 . 2]" 1
769 1 84 PHE HA 1 90 VAL H . . 3.700 3.128 3.073 3.160 . 0 0 "[ . 1 . 2]" 1
770 1 89 PRO HA 1 90 VAL H . . 3.140 2.155 2.153 2.159 . 0 0 "[ . 1 . 2]" 1
771 1 84 PHE HB3 1 90 VAL H . . 5.500 5.515 5.504 5.538 0.038 10 0 "[ . 1 . 2]" 1
772 1 90 VAL H 1 90 VAL HB . . 3.900 3.702 3.667 3.727 . 0 0 "[ . 1 . 2]" 1
773 1 83 LEU HB3 1 90 VAL H . . 4.300 3.926 3.862 3.999 . 0 0 "[ . 1 . 2]" 1
774 1 89 PRO HB2 1 90 VAL H . . 4.120 3.526 3.490 3.564 . 0 0 "[ . 1 . 2]" 1
775 1 89 PRO HB3 1 90 VAL H . . 4.120 3.996 3.972 4.021 . 0 0 "[ . 1 . 2]" 1
776 1 90 VAL H 1 90 VAL MG1 . . 3.770 3.138 3.062 3.197 . 0 0 "[ . 1 . 2]" 1
777 1 90 VAL H 1 90 VAL MG2 . . 3.210 1.954 1.894 2.081 . 0 0 "[ . 1 . 2]" 1
778 1 82 ILE MG 1 90 VAL H . . 4.610 4.154 3.967 4.359 . 0 0 "[ . 1 . 2]" 1
779 1 90 VAL H 1 91 LYS H . . 2.900 1.919 1.886 1.980 . 0 0 "[ . 1 . 2]" 1
780 1 83 LEU H 1 91 LYS H . . 3.440 3.221 3.006 3.452 0.012 15 0 "[ . 1 . 2]" 1
781 1 84 PHE HA 1 91 LYS H . . 4.670 4.469 4.391 4.608 . 0 0 "[ . 1 . 2]" 1
782 1 82 ILE HA 1 91 LYS H . . 5.370 5.037 4.801 5.287 . 0 0 "[ . 1 . 2]" 1
783 1 91 LYS H 1 92 ARG HA . . 5.500 4.905 4.709 4.993 . 0 0 "[ . 1 . 2]" 1
784 1 89 PRO HA 1 91 LYS H . . 3.800 3.771 3.743 3.806 0.006 2 0 "[ . 1 . 2]" 1
785 1 90 VAL HB 1 91 LYS H . . 3.690 3.618 3.587 3.651 . 0 0 "[ . 1 . 2]" 1
786 1 83 LEU HB3 1 91 LYS H . . 4.010 3.260 3.073 3.522 . 0 0 "[ . 1 . 2]" 1
787 1 83 LEU HB2 1 91 LYS H . . 3.570 3.160 2.662 3.360 . 0 0 "[ . 1 . 2]" 1
788 1 90 VAL MG2 1 91 LYS H . . 3.080 1.953 1.915 2.037 . 0 0 "[ . 1 . 2]" 1
789 1 82 ILE MG 1 91 LYS H . . 4.460 3.918 3.645 4.203 . 0 0 "[ . 1 . 2]" 1
790 1 91 LYS H 1 92 ARG H . . 4.570 4.383 4.346 4.432 . 0 0 "[ . 1 . 2]" 1
791 1 91 LYS HA 1 92 ARG H . . 2.830 2.342 2.303 2.406 . 0 0 "[ . 1 . 2]" 1
792 1 92 ARG H 1 92 ARG HB3 . . 3.770 3.590 3.417 3.622 . 0 0 "[ . 1 . 2]" 1
793 1 83 LEU HB2 1 92 ARG H . . 5.130 4.974 4.656 5.140 0.010 9 0 "[ . 1 . 2]" 1
794 1 83 LEU MD1 1 92 ARG H . . 5.400 5.223 4.503 5.406 0.006 2 0 "[ . 1 . 2]" 1
795 1 82 ILE MG 1 92 ARG H . . 5.500 4.718 4.410 5.115 . 0 0 "[ . 1 . 2]" 1
796 1 81 MET H 1 93 ILE H . . 4.350 3.361 3.020 3.723 . 0 0 "[ . 1 . 2]" 1
797 1 92 ARG H 1 93 ILE H . . 4.570 3.866 3.763 4.403 . 0 0 "[ . 1 . 2]" 1
798 1 92 ARG HA 1 93 ILE H . . 3.110 2.158 2.140 2.274 . 0 0 "[ . 1 . 2]" 1
799 1 93 ILE H 1 93 ILE HB . . 3.490 2.640 2.526 2.818 . 0 0 "[ . 1 . 2]" 1
800 1 93 ILE H 1 93 ILE MG . . 4.040 3.847 3.802 3.922 . 0 0 "[ . 1 . 2]" 1
801 1 93 ILE H 1 93 ILE MD . . 4.100 3.706 2.152 4.111 0.011 16 0 "[ . 1 . 2]" 1
802 1 92 ARG HB2 1 93 ILE H . . 3.780 3.608 2.776 3.716 . 0 0 "[ . 1 . 2]" 1
803 1 82 ILE MG 1 93 ILE H . . 5.500 4.618 4.197 5.111 . 0 0 "[ . 1 . 2]" 1
804 1 93 ILE H 1 94 VAL H . . 4.670 4.405 4.220 4.530 . 0 0 "[ . 1 . 2]" 1
805 1 94 VAL H 1 95 GLY H . . 4.760 4.357 4.079 4.527 . 0 0 "[ . 1 . 2]" 1
806 1 93 ILE HA 1 94 VAL H . . 2.880 2.195 2.140 2.287 . 0 0 "[ . 1 . 2]" 1
807 1 94 VAL H 1 94 VAL HB . . 3.730 3.032 2.548 3.753 0.023 11 0 "[ . 1 . 2]" 1
808 1 93 ILE HB 1 94 VAL H . . 4.570 4.056 3.647 4.340 . 0 0 "[ . 1 . 2]" 1
809 1 93 ILE MG 1 94 VAL H . . 3.380 2.274 1.949 2.719 . 0 0 "[ . 1 . 2]" 1
810 1 80 THR HA 1 94 VAL H . . 5.030 4.917 4.759 5.035 0.005 1 0 "[ . 1 . 2]" 1
811 1 81 MET H 1 95 GLY H . . 5.480 4.611 4.153 4.958 . 0 0 "[ . 1 . 2]" 1
812 1 80 THR HA 1 95 GLY H . . 3.740 2.788 2.384 3.231 . 0 0 "[ . 1 . 2]" 1
813 1 94 VAL HA 1 95 GLY H . . 2.920 2.183 2.144 2.249 . 0 0 "[ . 1 . 2]" 1
814 1 79 PRO HB3 1 95 GLY H . . 5.500 5.411 5.016 5.518 0.018 15 0 "[ . 1 . 2]" 1
815 1 79 PRO HB2 1 95 GLY H . . 4.600 3.889 3.406 4.128 . 0 0 "[ . 1 . 2]" 1
816 1 94 VAL HB 1 95 GLY H . . 4.860 4.083 2.844 4.394 . 0 0 "[ . 1 . 2]" 1
817 1 79 PRO HG2 1 95 GLY H . . 4.160 3.417 3.023 3.752 . 0 0 "[ . 1 . 2]" 1
818 1 95 GLY H 1 96 ALA MB . . 5.090 4.934 4.565 5.106 0.016 17 0 "[ . 1 . 2]" 1
819 1 80 THR MG 1 95 GLY H . . 5.210 3.902 3.354 4.873 . 0 0 "[ . 1 . 2]" 1
820 1 95 GLY H 1 96 ALA H . . 4.390 4.088 3.415 4.381 . 0 0 "[ . 1 . 2]" 1
821 1 96 ALA H 1 97 LYS H . . 4.180 4.091 3.615 4.209 0.029 17 0 "[ . 1 . 2]" 1
822 1 95 GLY HA2 1 96 ALA H . . 3.440 2.270 2.148 2.444 . 0 0 "[ . 1 . 2]" 1
823 1 95 GLY HA3 1 96 ALA H . . 3.440 2.958 2.689 3.370 . 0 0 "[ . 1 . 2]" 1
824 1 79 PRO HB2 1 96 ALA H . . 4.750 3.756 2.783 4.489 . 0 0 "[ . 1 . 2]" 1
825 1 79 PRO HG2 1 96 ALA H . . 3.760 2.862 2.114 3.636 . 0 0 "[ . 1 . 2]" 1
826 1 96 ALA H 1 96 ALA MB . . 3.000 2.212 2.053 2.445 . 0 0 "[ . 1 . 2]" 1
827 1 96 ALA HA 1 97 LYS H . . 3.010 2.228 2.173 2.318 . 0 0 "[ . 1 . 2]" 1
828 1 79 PRO HB2 1 97 LYS H . . 5.280 4.908 4.410 5.288 0.008 8 0 "[ . 1 . 2]" 1
829 1 97 LYS H 1 97 LYS HB3 . . 4.000 3.616 3.152 3.853 . 0 0 "[ . 1 . 2]" 1
830 1 96 ALA MB 1 97 LYS H . . 3.740 3.542 3.462 3.640 . 0 0 "[ . 1 . 2]" 1
831 1 41 VAL MG1 1 97 LYS H . . 4.650 3.941 3.467 4.678 0.028 17 0 "[ . 1 . 2]" 1
832 1 97 LYS H 1 97 LYS HB2 . . 4.000 3.009 2.446 3.750 . 0 0 "[ . 1 . 2]" 1
833 1 41 VAL MG2 1 97 LYS H . . 4.650 3.478 2.801 3.959 . 0 0 "[ . 1 . 2]" 1
834 1 97 LYS H 1 98 GLY H . . 4.640 4.392 4.344 4.447 . 0 0 "[ . 1 . 2]" 1
835 1 97 LYS HA 1 98 GLY H . . 2.840 2.677 2.594 2.725 . 0 0 "[ . 1 . 2]" 1
836 1 97 LYS HB2 1 98 GLY H . . 3.460 2.622 1.940 3.458 . 0 0 "[ . 1 . 2]" 1
837 1 97 LYS HB3 1 98 GLY H . . 3.460 2.445 1.949 3.463 0.003 14 0 "[ . 1 . 2]" 1
838 1 99 LYS H 1 100 ALA H . . 3.610 2.667 2.451 2.767 . 0 0 "[ . 1 . 2]" 1
839 1 98 GLY H 1 99 LYS H . . 4.790 4.567 4.370 4.644 . 0 0 "[ . 1 . 2]" 1
840 1 98 GLY HA2 1 99 LYS H . . 3.100 2.456 2.297 2.768 . 0 0 "[ . 1 . 2]" 1
841 1 98 GLY HA3 1 99 LYS H . . 3.160 2.685 2.373 2.872 . 0 0 "[ . 1 . 2]" 1
842 1 99 LYS H 1 100 ALA MB . . 5.260 4.262 4.000 4.402 . 0 0 "[ . 1 . 2]" 1
843 1 44 VAL MG2 1 99 LYS H . . 3.640 2.543 1.915 3.374 . 0 0 "[ . 1 . 2]" 1
844 1 98 GLY HA2 1 100 ALA H . . 4.720 4.269 4.053 4.717 . 0 0 "[ . 1 . 2]" 1
845 1 98 GLY HA3 1 100 ALA H . . 4.810 3.307 3.198 3.612 . 0 0 "[ . 1 . 2]" 1
846 1 100 ALA H 1 100 ALA MB . . 2.580 2.127 2.027 2.236 . 0 0 "[ . 1 . 2]" 1
847 1 100 ALA H 1 103 LEU MD1 . . 4.340 4.054 3.612 4.341 0.001 7 0 "[ . 1 . 2]" 1
848 1 100 ALA H 1 101 ALA H . . 3.010 2.809 2.775 2.869 . 0 0 "[ . 1 . 2]" 1
849 1 101 ALA H 1 102 LEU H . . 3.170 2.634 2.466 2.848 . 0 0 "[ . 1 . 2]" 1
850 1 101 ALA H 1 101 ALA HA . . 2.930 2.853 2.795 2.883 . 0 0 "[ . 1 . 2]" 1
851 1 98 GLY HA3 1 101 ALA H . . 4.230 3.966 3.850 4.148 . 0 0 "[ . 1 . 2]" 1
852 1 99 LYS HA 1 101 ALA H . . 4.780 4.001 3.860 4.311 . 0 0 "[ . 1 . 2]" 1
853 1 101 ALA H 1 101 ALA MB . . 2.410 2.187 2.043 2.267 . 0 0 "[ . 1 . 2]" 1
854 1 102 LEU H 1 105 GLU H . . 5.500 5.300 4.937 5.496 . 0 0 "[ . 1 . 2]" 1
855 1 99 LYS HA 1 102 LEU H . . 4.060 3.259 3.027 3.483 . 0 0 "[ . 1 . 2]" 1
856 1 101 ALA MB 1 102 LEU H . . 2.660 2.435 2.077 2.670 0.010 4 0 "[ . 1 . 2]" 1
857 1 101 ALA HA 1 103 LEU H . . 4.440 4.292 4.125 4.448 0.008 10 0 "[ . 1 . 2]" 1
858 1 99 LYS HA 1 103 LEU H . . 4.510 3.908 3.657 4.186 . 0 0 "[ . 1 . 2]" 1
859 1 103 LEU H 1 103 LEU HB3 . . 3.710 3.532 3.503 3.576 . 0 0 "[ . 1 . 2]" 1
860 1 103 LEU H 1 103 LEU HG . . 3.150 2.708 2.389 2.868 . 0 0 "[ . 1 . 2]" 1
861 1 103 LEU H 1 103 LEU HB2 . . 2.920 2.261 2.197 2.406 . 0 0 "[ . 1 . 2]" 1
862 1 103 LEU H 1 103 LEU MD2 . . 3.740 3.717 3.525 3.774 0.034 9 0 "[ . 1 . 2]" 1
863 1 48 ILE MD 1 103 LEU H . . 3.200 2.952 2.619 3.211 0.011 14 0 "[ . 1 . 2]" 1
864 1 103 LEU H 1 103 LEU MD1 . . 3.830 3.723 3.564 3.813 . 0 0 "[ . 1 . 2]" 1
865 1 103 LEU H 1 104 ARG H . . 3.270 2.792 2.720 2.834 . 0 0 "[ . 1 . 2]" 1
866 1 102 LEU HA 1 104 ARG H . . 4.200 4.010 3.827 4.202 0.002 15 0 "[ . 1 . 2]" 1
867 1 104 ARG H 1 104 ARG HB3 . . 2.640 2.413 2.330 2.529 . 0 0 "[ . 1 . 2]" 1
868 1 103 LEU HB2 1 104 ARG H . . 3.280 2.842 2.678 2.996 . 0 0 "[ . 1 . 2]" 1
869 1 103 LEU H 1 105 GLU H . . 4.390 4.310 4.186 4.398 0.008 15 0 "[ . 1 . 2]" 1
870 1 102 LEU HA 1 105 GLU H . . 3.610 3.403 3.086 3.563 . 0 0 "[ . 1 . 2]" 1
871 1 104 ARG HB3 1 105 GLU H . . 2.920 2.754 2.465 2.847 . 0 0 "[ . 1 . 2]" 1
872 1 106 LEU H 1 107 SER H . . 3.380 2.654 2.321 2.815 . 0 0 "[ . 1 . 2]" 1
873 1 103 LEU HA 1 106 LEU H . . 3.900 3.587 3.045 3.902 0.002 6 0 "[ . 1 . 2]" 1
874 1 106 LEU H 1 106 LEU HG . . 3.080 2.340 1.939 2.926 . 0 0 "[ . 1 . 2]" 1
875 1 106 LEU H 1 106 LEU HB3 . . 3.730 2.939 2.218 3.635 . 0 0 "[ . 1 . 2]" 1
876 1 106 LEU H 1 106 LEU HB2 . . 3.730 3.154 2.518 3.590 . 0 0 "[ . 1 . 2]" 1
877 1 107 SER H 1 108 ASP HA . . 5.470 5.305 5.224 5.427 . 0 0 "[ . 1 . 2]" 1
878 1 106 LEU HB2 1 107 SER H . . 4.250 3.337 2.390 4.092 . 0 0 "[ . 1 . 2]" 1
879 1 106 LEU HG 1 107 SER H . . 4.250 3.013 2.019 4.254 0.004 15 0 "[ . 1 . 2]" 1
880 1 106 LEU HB3 1 107 SER H . . 4.250 3.853 3.599 4.090 . 0 0 "[ . 1 . 2]" 1
881 1 108 ASP H 1 110 LEU H . . 4.350 3.969 3.719 4.178 . 0 0 "[ . 1 . 2]" 1
882 1 108 ASP H 1 108 ASP HA . . 2.910 2.865 2.789 2.911 0.001 9 0 "[ . 1 . 2]" 1
883 1 108 ASP H 1 108 ASP HB2 . . 3.280 2.183 2.072 2.370 . 0 0 "[ . 1 . 2]" 1
884 1 108 ASP H 1 108 ASP HB3 . . 3.280 3.085 2.868 3.259 . 0 0 "[ . 1 . 2]" 1
885 1 108 ASP H 1 109 ALA MB . . 4.320 4.127 3.885 4.324 0.004 6 0 "[ . 1 . 2]" 1
886 1 106 LEU HA 1 109 ALA H . . 3.530 3.320 3.045 3.532 0.002 1 0 "[ . 1 . 2]" 1
887 1 108 ASP HB2 1 109 ALA H . . 4.490 3.386 3.201 3.516 . 0 0 "[ . 1 . 2]" 1
888 1 108 ASP HB3 1 109 ALA H . . 4.490 2.838 2.502 3.103 . 0 0 "[ . 1 . 2]" 1
889 1 109 ALA H 1 109 ALA MB . . 2.710 2.143 2.033 2.234 . 0 0 "[ . 1 . 2]" 1
890 1 109 ALA H 1 110 LEU H . . 2.660 2.601 2.475 2.653 . 0 0 "[ . 1 . 2]" 1
891 1 109 ALA HA 1 110 LEU H . . 3.550 3.522 3.509 3.539 . 0 0 "[ . 1 . 2]" 1
892 1 106 LEU HA 1 110 LEU H . . 4.620 3.801 3.166 4.621 0.001 15 0 "[ . 1 . 2]" 1
893 1 107 SER HA 1 110 LEU H . . 4.940 3.740 3.309 4.095 . 0 0 "[ . 1 . 2]" 1
894 1 108 ASP HB2 1 110 LEU H . . 5.500 5.478 5.390 5.516 0.016 8 0 "[ . 1 . 2]" 1
895 1 108 ASP HB3 1 110 LEU H . . 5.500 5.081 4.871 5.294 . 0 0 "[ . 1 . 2]" 1
896 1 109 ALA MB 1 110 LEU H . . 3.160 2.687 2.529 2.801 . 0 0 "[ . 1 . 2]" 1
897 1 110 LEU H 1 110 LEU HG . . 3.630 2.526 2.190 2.809 . 0 0 "[ . 1 . 2]" 1
898 1 1 MET HA 1 1 MET QG . . 3.740 2.476 2.161 3.330 . 0 0 "[ . 1 . 2]" 1
899 1 1 MET QB 1 2 SER H . . 3.660 2.554 1.941 3.376 . 0 0 "[ . 1 . 2]" 1
900 1 2 SER H 1 2 SER QB . . 3.590 2.618 2.178 3.382 . 0 0 "[ . 1 . 2]" 1
901 1 3 GLU H 1 3 GLU QB . . 3.330 2.661 2.246 3.237 . 0 0 "[ . 1 . 2]" 1
902 1 3 GLU H 1 3 GLU QG . . 3.520 2.730 1.976 3.491 . 0 0 "[ . 1 . 2]" 1
903 1 3 GLU HA 1 3 GLU QG . . 3.480 2.787 2.243 3.454 . 0 0 "[ . 1 . 2]" 1
904 1 3 GLU QB 1 4 ASP H . . 3.210 2.167 1.951 2.604 . 0 0 "[ . 1 . 2]" 1
905 1 3 GLU QG 1 4 ASP H . . 4.140 3.718 2.972 4.133 . 0 0 "[ . 1 . 2]" 1
906 1 4 ASP H 1 4 ASP QB . . 2.840 2.538 2.236 2.838 . 0 0 "[ . 1 . 2]" 1
907 1 4 ASP QB 1 5 SER H . . 3.410 2.568 1.989 3.323 . 0 0 "[ . 1 . 2]" 1
908 1 5 SER H 1 5 SER QB . . 3.490 3.094 2.605 3.445 . 0 0 "[ . 1 . 2]" 1
909 1 5 SER QB 1 6 ALA H . . 3.940 3.846 2.762 4.009 0.069 14 0 "[ . 1 . 2]" 1
910 1 5 SER QB 1 7 THR H . . 4.670 4.236 2.734 4.670 . 0 0 "[ . 1 . 2]" 1
911 1 10 VAL H 1 10 VAL QG . . 2.960 2.045 1.902 2.198 . 0 0 "[ . 1 . 2]" 1
912 1 10 VAL QG 1 11 THR H . . 3.280 3.073 2.814 3.253 . 0 0 "[ . 1 . 2]" 1
913 1 10 VAL QG 1 14 SER H . . 5.400 5.273 5.061 5.396 . 0 0 "[ . 1 . 2]" 1
914 1 10 VAL QG 1 15 PHE H . . 4.770 4.676 4.443 4.772 0.002 18 0 "[ . 1 . 2]" 1
915 1 10 VAL QG 1 15 PHE HA . . 3.850 2.624 2.301 2.840 . 0 0 "[ . 1 . 2]" 1
916 1 10 VAL QG 1 16 SER H . . 5.410 5.347 5.138 5.415 0.005 10 0 "[ . 1 . 2]" 1
917 1 10 VAL QG 1 18 ASP QB . . 4.080 2.851 2.575 3.240 . 0 0 "[ . 1 . 2]" 1
918 1 10 VAL QG 1 28 VAL MG1 . . 4.490 3.420 2.786 3.930 . 0 0 "[ . 1 . 2]" 1
919 1 10 VAL QG 1 59 ALA HA . . 5.270 4.669 4.331 4.967 . 0 0 "[ . 1 . 2]" 1
920 1 10 VAL QG 1 60 LYS H . . 4.460 4.183 3.951 4.307 . 0 0 "[ . 1 . 2]" 1
921 1 12 ASP H 1 12 ASP QB . . 3.110 2.461 2.181 2.734 . 0 0 "[ . 1 . 2]" 1
922 1 12 ASP QB 1 13 ASP H . . 4.010 2.831 2.361 3.357 . 0 0 "[ . 1 . 2]" 1
923 1 13 ASP H 1 13 ASP QB . . 2.790 2.299 2.179 2.582 . 0 0 "[ . 1 . 2]" 1
924 1 13 ASP H 1 14 SER QB . . 4.990 4.607 4.438 4.925 . 0 0 "[ . 1 . 2]" 1
925 1 13 ASP QB 1 14 SER H . . 3.380 2.606 2.343 2.748 . 0 0 "[ . 1 . 2]" 1
926 1 13 ASP QB 1 15 PHE H . . 5.020 4.601 4.457 4.735 . 0 0 "[ . 1 . 2]" 1
927 1 14 SER H 1 14 SER QB . . 2.980 2.323 2.262 2.409 . 0 0 "[ . 1 . 2]" 1
928 1 14 SER QB 1 15 PHE H . . 4.110 3.849 3.824 3.882 . 0 0 "[ . 1 . 2]" 1
929 1 15 PHE H 1 18 ASP QB . . 5.340 4.995 4.834 5.334 . 0 0 "[ . 1 . 2]" 1
930 1 16 SER QB 1 20 LEU H . . 4.320 3.968 3.693 4.128 . 0 0 "[ . 1 . 2]" 1
931 1 16 SER QB 1 20 LEU HB3 . . 4.760 4.408 4.213 4.514 . 0 0 "[ . 1 . 2]" 1
932 1 16 SER QB 1 20 LEU MD1 . . 3.680 1.943 1.908 2.003 . 0 0 "[ . 1 . 2]" 1
933 1 17 THR H 1 18 ASP QB . . 4.750 4.533 4.475 4.626 . 0 0 "[ . 1 . 2]" 1
934 1 18 ASP H 1 18 ASP QB . . 2.920 2.295 2.181 2.357 . 0 0 "[ . 1 . 2]" 1
935 1 18 ASP QB 1 19 VAL H . . 3.400 2.213 2.079 2.443 . 0 0 "[ . 1 . 2]" 1
936 1 18 ASP QB 1 19 VAL MG2 . . 4.050 3.000 2.819 3.201 . 0 0 "[ . 1 . 2]" 1
937 1 19 VAL HA 1 26 VAL QG . . 3.640 2.454 2.122 3.249 . 0 0 "[ . 1 . 2]" 1
938 1 19 VAL MG1 1 26 VAL QG . . 3.800 2.193 1.733 3.167 . 0 0 "[ . 1 . 2]" 1
939 1 19 VAL MG2 1 26 VAL QG . . 3.410 2.540 2.192 3.019 . 0 0 "[ . 1 . 2]" 1
940 1 20 LEU HA 1 87 GLY QA . . 3.840 2.475 1.936 3.522 . 0 0 "[ . 1 . 2]" 1
941 1 20 LEU MD2 1 87 GLY QA . . 4.270 2.799 2.035 4.186 . 0 0 "[ . 1 . 2]" 1
942 1 22 SER H 1 22 SER QB . . 2.750 2.333 2.169 2.571 . 0 0 "[ . 1 . 2]" 1
943 1 22 SER H 1 26 VAL QG . . 5.440 4.391 3.931 5.066 . 0 0 "[ . 1 . 2]" 1
944 1 22 SER QB 1 24 LYS H . . 4.030 3.735 3.085 4.016 . 0 0 "[ . 1 . 2]" 1
945 1 23 SER H 1 23 SER QB . . 3.640 2.418 2.199 2.767 . 0 0 "[ . 1 . 2]" 1
946 1 23 SER QB 1 24 LYS H . . 3.410 2.743 2.695 2.793 . 0 0 "[ . 1 . 2]" 1
947 1 24 LYS H 1 24 LYS QB . . 3.370 2.339 2.127 2.848 . 0 0 "[ . 1 . 2]" 1
948 1 24 LYS H 1 24 LYS QD . . 3.170 2.343 1.941 3.182 0.012 6 0 "[ . 1 . 2]" 1
949 1 24 LYS H 1 24 LYS QE . . 4.550 3.931 2.592 4.488 . 0 0 "[ . 1 . 2]" 1
950 1 24 LYS H 1 26 VAL QG . . 5.000 4.633 4.440 5.059 0.059 16 0 "[ . 1 . 2]" 1
951 1 24 LYS HA 1 25 PRO QG . . 5.100 4.054 4.010 4.078 . 0 0 "[ . 1 . 2]" 1
952 1 24 LYS QB 1 24 LYS QE . . 4.250 3.247 2.119 3.845 . 0 0 "[ . 1 . 2]" 1
953 1 24 LYS QB 1 25 PRO QD . . 4.210 1.980 1.923 2.062 . 0 0 "[ . 1 . 2]" 1
954 1 25 PRO QB 1 26 VAL H . . 3.670 3.064 2.795 3.530 . 0 0 "[ . 1 . 2]" 1
955 1 26 VAL H 1 26 VAL QG . . 3.530 2.415 2.017 2.992 . 0 0 "[ . 1 . 2]" 1
956 1 26 VAL QG 1 57 THR H . . 3.690 3.278 2.871 3.705 0.015 16 0 "[ . 1 . 2]" 1
957 1 27 LEU H 1 56 LEU QD . . 3.310 2.674 2.087 3.246 . 0 0 "[ . 1 . 2]" 1
958 1 27 LEU HB3 1 56 LEU QD . . 3.740 2.340 1.875 2.591 . 0 0 "[ . 1 . 2]" 1
959 1 27 LEU HG 1 56 LEU QD . . 4.240 4.041 3.725 4.247 0.007 19 0 "[ . 1 . 2]" 1
960 1 27 LEU QD 1 28 VAL H . . 3.190 2.249 1.956 3.188 . 0 0 "[ . 1 . 2]" 1
961 1 27 LEU QD 1 28 VAL HA . . 4.530 3.474 2.927 3.667 . 0 0 "[ . 1 . 2]" 1
962 1 27 LEU QD 1 56 LEU HG . . 5.440 3.990 3.383 4.349 . 0 0 "[ . 1 . 2]" 1
963 1 27 LEU QD 1 59 ALA H . . 4.430 3.806 2.580 4.399 . 0 0 "[ . 1 . 2]" 1
964 1 29 ASP H 1 29 ASP QB . . 3.530 2.615 2.346 2.900 . 0 0 "[ . 1 . 2]" 1
965 1 29 ASP H 1 60 LYS QB . . 4.850 3.777 3.188 4.527 . 0 0 "[ . 1 . 2]" 1
966 1 29 ASP H 1 60 LYS QG . . 5.340 4.327 2.705 5.353 0.013 10 0 "[ . 1 . 2]" 1
967 1 29 ASP HA 1 81 MET QG . . 4.180 3.052 2.193 3.978 . 0 0 "[ . 1 . 2]" 1
968 1 29 ASP QB 1 60 LYS HA . . 4.790 3.123 2.561 4.093 . 0 0 "[ . 1 . 2]" 1
969 1 30 PHE QB 1 31 TRP H . . 4.190 3.411 3.092 3.841 . 0 0 "[ . 1 . 2]" 1
970 1 30 PHE QB 1 61 ILE MG . . 4.510 3.041 2.473 3.402 . 0 0 "[ . 1 . 2]" 1
971 1 30 PHE QB 1 80 THR H . . 4.130 3.109 2.729 3.530 . 0 0 "[ . 1 . 2]" 1
972 1 31 TRP H 1 60 LYS QB . . 5.200 4.512 3.884 5.165 . 0 0 "[ . 1 . 2]" 1
973 1 31 TRP H 1 63 VAL QG . . 4.360 3.130 2.936 4.500 0.140 1 0 "[ . 1 . 2]" 1
974 1 31 TRP H 1 78 ILE QG . . 4.800 4.156 3.429 4.377 . 0 0 "[ . 1 . 2]" 1
975 1 31 TRP HA 1 78 ILE QG . . 3.600 2.757 2.055 3.364 . 0 0 "[ . 1 . 2]" 1
976 1 31 TRP QB 1 32 ALA H . . 3.610 2.886 2.206 3.629 0.019 9 0 "[ . 1 . 2]" 1
977 1 32 ALA H 1 63 VAL QG . . 5.100 3.015 2.764 4.061 . 0 0 "[ . 1 . 2]" 1
978 1 32 ALA H 1 78 ILE QG . . 3.830 3.031 2.833 3.206 . 0 0 "[ . 1 . 2]" 1
979 1 32 ALA MB 1 63 VAL QG . . 3.860 1.944 1.832 2.133 . 0 0 "[ . 1 . 2]" 1
980 1 32 ALA MB 1 78 ILE QG . . 4.340 2.877 2.434 3.241 . 0 0 "[ . 1 . 2]" 1
981 1 33 THR H 1 63 VAL QG . . 5.280 3.695 2.162 3.949 . 0 0 "[ . 1 . 2]" 1
982 1 34 TRP H 1 34 TRP QB . . 3.460 2.347 2.083 2.863 . 0 0 "[ . 1 . 2]" 1
983 1 34 TRP H 1 35 CYS QB . . 4.540 4.325 4.288 4.390 . 0 0 "[ . 1 . 2]" 1
984 1 34 TRP QB 1 35 CYS H . . 4.170 3.494 3.060 4.009 . 0 0 "[ . 1 . 2]" 1
985 1 37 PRO HA 1 40 MET QB . . 4.140 3.442 2.983 4.115 . 0 0 "[ . 1 . 2]" 1
986 1 37 PRO QB 1 38 CYS HA . . 5.340 4.519 4.503 4.537 . 0 0 "[ . 1 . 2]" 1
987 1 38 CYS H 1 38 CYS QB . . 3.380 2.528 2.118 2.692 . 0 0 "[ . 1 . 2]" 1
988 1 38 CYS H 1 39 LYS QB . . 4.970 4.613 4.545 4.798 . 0 0 "[ . 1 . 2]" 1
989 1 38 CYS H 1 39 LYS QG . . 4.870 3.800 3.496 4.779 . 0 0 "[ . 1 . 2]" 1
990 1 38 CYS H 1 39 LYS QD . . 5.290 4.005 2.649 5.292 0.002 10 0 "[ . 1 . 2]" 1
991 1 38 CYS H 1 40 MET QB . . 5.040 4.755 4.463 4.989 . 0 0 "[ . 1 . 2]" 1
992 1 38 CYS HA 1 41 VAL QG . . 4.330 4.058 2.540 4.328 . 0 0 "[ . 1 . 2]" 1
993 1 38 CYS QB 1 39 LYS H . . 3.620 3.226 2.593 3.498 . 0 0 "[ . 1 . 2]" 1
994 1 38 CYS QB 1 40 MET H . . 5.340 5.023 4.528 5.319 . 0 0 "[ . 1 . 2]" 1
995 1 38 CYS QB 1 41 VAL H . . 5.310 5.041 4.788 5.183 . 0 0 "[ . 1 . 2]" 1
996 1 38 CYS QB 1 42 ALA MB . . 3.850 3.840 3.757 3.871 0.021 13 0 "[ . 1 . 2]" 1
997 1 39 LYS H 1 39 LYS QB . . 2.960 2.612 2.507 2.686 . 0 0 "[ . 1 . 2]" 1
998 1 39 LYS H 1 39 LYS QG . . 3.420 2.182 1.927 2.786 . 0 0 "[ . 1 . 2]" 1
999 1 39 LYS H 1 39 LYS QE . . 4.960 4.163 3.797 4.881 . 0 0 "[ . 1 . 2]" 1
1000 1 39 LYS H 1 40 MET QB . . 4.550 4.275 4.167 4.541 . 0 0 "[ . 1 . 2]" 1
1001 1 39 LYS H 1 41 VAL QG . . 5.440 5.307 4.692 5.472 0.032 8 0 "[ . 1 . 2]" 1
1002 1 39 LYS QB 1 40 MET H . . 4.070 3.019 2.440 3.480 . 0 0 "[ . 1 . 2]" 1
1003 1 39 LYS QG 1 40 MET H . . 4.580 2.850 1.935 4.258 . 0 0 "[ . 1 . 2]" 1
1004 1 39 LYS QD 1 40 MET H . . 4.530 3.373 2.307 4.565 0.035 2 0 "[ . 1 . 2]" 1
1005 1 39 LYS QD 1 41 VAL H . . 5.340 5.157 4.538 5.417 0.077 15 0 "[ . 1 . 2]" 1
1006 1 40 MET H 1 40 MET QB . . 2.920 2.196 2.121 2.531 . 0 0 "[ . 1 . 2]" 1
1007 1 40 MET H 1 40 MET QG . . 4.480 3.800 2.015 4.055 . 0 0 "[ . 1 . 2]" 1
1008 1 40 MET H 1 41 VAL QG . . 4.680 4.129 3.982 4.264 . 0 0 "[ . 1 . 2]" 1
1009 1 40 MET QB 1 41 VAL H . . 3.480 2.724 2.584 2.805 . 0 0 "[ . 1 . 2]" 1
1010 1 40 MET QG 1 41 VAL H . . 4.470 4.082 3.520 4.251 . 0 0 "[ . 1 . 2]" 1
1011 1 41 VAL H 1 41 VAL QG . . 3.390 2.460 2.225 2.576 . 0 0 "[ . 1 . 2]" 1
1012 1 41 VAL QG 1 42 ALA H . . 3.940 3.702 3.220 3.737 . 0 0 "[ . 1 . 2]" 1
1013 1 41 VAL QG 1 44 VAL H . . 4.100 3.799 3.561 3.877 . 0 0 "[ . 1 . 2]" 1
1014 1 41 VAL QG 1 44 VAL HB . . 3.260 1.976 1.943 2.053 . 0 0 "[ . 1 . 2]" 1
1015 1 41 VAL QG 1 44 VAL MG1 . . 3.110 2.589 2.459 2.726 . 0 0 "[ . 1 . 2]" 1
1016 1 41 VAL QG 1 45 LEU H . . 3.880 2.801 2.440 3.105 . 0 0 "[ . 1 . 2]" 1
1017 1 41 VAL QG 1 45 LEU HG . . 4.810 3.668 1.963 4.741 . 0 0 "[ . 1 . 2]" 1
1018 1 41 VAL QG 1 45 LEU QD . . 4.520 2.812 2.186 3.479 . 0 0 "[ . 1 . 2]" 1
1019 1 41 VAL QG 1 79 PRO HB2 . . 3.640 3.473 2.941 3.686 0.046 15 0 "[ . 1 . 2]" 1
1020 1 41 VAL QG 1 96 ALA HA . . 3.570 2.522 2.154 2.960 . 0 0 "[ . 1 . 2]" 1
1021 1 42 ALA H 1 45 LEU QD . . 4.640 4.328 4.103 4.516 . 0 0 "[ . 1 . 2]" 1
1022 1 42 ALA HA 1 45 LEU QD . . 3.970 2.426 2.046 2.963 . 0 0 "[ . 1 . 2]" 1
1023 1 43 PRO HA 1 46 GLU QB . . 3.510 2.315 2.114 3.506 . 0 0 "[ . 1 . 2]" 1
1024 1 43 PRO QB 1 44 VAL H . . 3.810 3.182 3.099 3.432 . 0 0 "[ . 1 . 2]" 1
1025 1 44 VAL H 1 45 LEU QD . . 4.570 4.563 4.370 4.632 0.062 8 0 "[ . 1 . 2]" 1
1026 1 44 VAL HA 1 47 GLU QB . . 4.950 4.169 3.694 4.385 . 0 0 "[ . 1 . 2]" 1
1027 1 45 LEU H 1 45 LEU QB . . 3.450 2.369 2.224 2.598 . 0 0 "[ . 1 . 2]" 1
1028 1 45 LEU H 1 45 LEU QD . . 3.280 3.000 2.825 3.141 . 0 0 "[ . 1 . 2]" 1
1029 1 45 LEU H 1 46 GLU QB . . 4.580 4.483 4.441 4.531 . 0 0 "[ . 1 . 2]" 1
1030 1 45 LEU HA 1 45 LEU QD . . 4.180 3.107 2.512 3.399 . 0 0 "[ . 1 . 2]" 1
1031 1 45 LEU QD 1 46 GLU H . . 4.000 3.202 2.256 3.992 . 0 0 "[ . 1 . 2]" 1
1032 1 45 LEU QD 1 46 GLU QB . . 5.230 3.962 2.920 5.091 . 0 0 "[ . 1 . 2]" 1
1033 1 46 GLU H 1 46 GLU QB . . 3.000 2.135 2.110 2.459 . 0 0 "[ . 1 . 2]" 1
1034 1 46 GLU H 1 46 GLU QG . . 2.990 2.962 2.322 3.005 0.015 4 0 "[ . 1 . 2]" 1
1035 1 46 GLU H 1 47 GLU QG . . 5.340 3.801 3.723 3.938 . 0 0 "[ . 1 . 2]" 1
1036 1 46 GLU HA 1 46 GLU QG . . 3.620 2.451 2.114 3.438 . 0 0 "[ . 1 . 2]" 1
1037 1 46 GLU QB 1 47 GLU H . . 3.460 2.450 2.353 3.494 0.034 11 0 "[ . 1 . 2]" 1
1038 1 47 GLU H 1 47 GLU QB . . 3.440 2.533 2.446 2.565 . 0 0 "[ . 1 . 2]" 1
1039 1 47 GLU H 1 47 GLU QG . . 2.840 2.016 1.928 2.281 . 0 0 "[ . 1 . 2]" 1
1040 1 47 GLU HA 1 47 GLU QG . . 3.620 3.337 3.322 3.340 . 0 0 "[ . 1 . 2]" 1
1041 1 47 GLU QB 1 48 ILE H . . 3.960 3.407 3.353 3.473 . 0 0 "[ . 1 . 2]" 1
1042 1 47 GLU QG 1 48 ILE H . . 3.440 2.111 2.064 2.192 . 0 0 "[ . 1 . 2]" 1
1043 1 47 GLU QG 1 49 ALA H . . 4.700 4.299 4.270 4.334 . 0 0 "[ . 1 . 2]" 1
1044 1 48 ILE H 1 48 ILE QG . . 3.400 2.304 2.234 2.503 . 0 0 "[ . 1 . 2]" 1
1045 1 48 ILE HA 1 48 ILE QG . . 3.630 2.802 2.765 2.830 . 0 0 "[ . 1 . 2]" 1
1046 1 48 ILE HB 1 102 LEU QB . . 4.670 4.107 3.588 4.586 . 0 0 "[ . 1 . 2]" 1
1047 1 48 ILE MG 1 52 LYS QG . . 4.820 3.840 2.974 4.696 . 0 0 "[ . 1 . 2]" 1
1048 1 48 ILE MG 1 102 LEU QB . . 3.860 2.429 1.933 3.317 . 0 0 "[ . 1 . 2]" 1
1049 1 48 ILE QG 1 49 ALA H . . 4.590 4.151 4.114 4.206 . 0 0 "[ . 1 . 2]" 1
1050 1 48 ILE QG 1 99 LYS QB . . 4.590 3.077 2.301 4.594 0.004 12 0 "[ . 1 . 2]" 1
1051 1 48 ILE MD 1 99 LYS QG . . 4.030 3.204 1.853 3.969 . 0 0 "[ . 1 . 2]" 1
1052 1 48 ILE MD 1 102 LEU QB . . 3.550 2.121 1.784 2.552 . 0 0 "[ . 1 . 2]" 1
1053 1 49 ALA HA 1 56 LEU QD . . 5.350 5.045 4.632 5.375 0.025 18 0 "[ . 1 . 2]" 1
1054 1 49 ALA HA 1 58 VAL QG . . 3.550 2.029 1.741 2.289 . 0 0 "[ . 1 . 2]" 1
1055 1 50 ALA H 1 51 GLU QG . . 4.510 4.471 4.270 4.520 0.010 13 0 "[ . 1 . 2]" 1
1056 1 50 ALA H 1 58 VAL QG . . 5.020 4.193 4.016 4.329 . 0 0 "[ . 1 . 2]" 1
1057 1 51 GLU HA 1 51 GLU QG . . 3.360 2.453 2.308 2.708 . 0 0 "[ . 1 . 2]" 1
1058 1 51 GLU QG 1 52 LYS H . . 4.200 4.127 4.100 4.200 0.000 13 0 "[ . 1 . 2]" 1
1059 1 52 LYS H 1 52 LYS QB . . 3.620 2.707 2.344 3.001 . 0 0 "[ . 1 . 2]" 1
1060 1 52 LYS H 1 52 LYS QG . . 3.730 2.347 1.878 3.445 . 0 0 "[ . 1 . 2]" 1
1061 1 52 LYS H 1 52 LYS QD . . 3.700 3.212 1.921 3.802 0.102 13 0 "[ . 1 . 2]" 1
1062 1 52 LYS H 1 52 LYS QE . . 4.970 4.349 2.529 4.980 0.010 12 0 "[ . 1 . 2]" 1
1063 1 52 LYS H 1 56 LEU QD . . 5.230 4.285 3.911 4.954 . 0 0 "[ . 1 . 2]" 1
1064 1 52 LYS H 1 58 VAL QG . . 4.490 4.083 3.463 4.312 . 0 0 "[ . 1 . 2]" 1
1065 1 52 LYS HA 1 56 LEU QD . . 5.060 3.908 3.395 4.918 . 0 0 "[ . 1 . 2]" 1
1066 1 52 LYS QB 1 53 GLY H . . 4.260 3.760 3.009 4.009 . 0 0 "[ . 1 . 2]" 1
1067 1 52 LYS QB 1 55 GLN QE . . 5.080 3.153 1.974 4.486 . 0 0 "[ . 1 . 2]" 1
1068 1 52 LYS QB 1 56 LEU QD . . 4.290 2.208 1.701 3.287 . 0 0 "[ . 1 . 2]" 1
1069 1 52 LYS QB 1 110 LEU QB . . 4.770 4.708 4.324 4.808 0.038 9 0 "[ . 1 . 2]" 1
1070 1 52 LYS QB 1 110 LEU QD . . 4.090 3.145 1.849 4.106 0.016 11 0 "[ . 1 . 2]" 1
1071 1 52 LYS QG 1 53 GLY H . . 4.780 3.992 3.094 4.721 . 0 0 "[ . 1 . 2]" 1
1072 1 52 LYS QG 1 56 LEU QD . . 4.030 2.836 1.825 4.058 0.028 18 0 "[ . 1 . 2]" 1
1073 1 52 LYS QD 1 110 LEU QD . . 5.280 3.521 1.916 5.293 0.013 13 0 "[ . 1 . 2]" 1
1074 1 53 GLY H 1 54 ASP QB . . 4.720 4.468 4.085 4.717 . 0 0 "[ . 1 . 2]" 1
1075 1 53 GLY H 1 56 LEU QD . . 4.390 4.341 3.762 4.474 0.084 5 0 "[ . 1 . 2]" 1
1076 1 53 GLY H 1 58 VAL QG . . 4.590 3.824 2.569 4.119 . 0 0 "[ . 1 . 2]" 1
1077 1 54 ASP H 1 54 ASP QB . . 2.740 2.274 2.147 2.522 . 0 0 "[ . 1 . 2]" 1
1078 1 54 ASP H 1 55 GLN QG . . 3.920 3.740 3.433 3.960 0.040 19 0 "[ . 1 . 2]" 1
1079 1 54 ASP H 1 55 GLN QE . . 5.340 5.154 4.692 5.352 0.012 14 0 "[ . 1 . 2]" 1
1080 1 54 ASP H 1 58 VAL QG . . 5.360 5.149 4.421 5.378 0.018 4 0 "[ . 1 . 2]" 1
1081 1 55 GLN H 1 55 GLN QG . . 4.400 2.082 1.906 2.309 . 0 0 "[ . 1 . 2]" 1
1082 1 55 GLN HA 1 55 GLN QG . . 3.610 2.814 2.507 3.341 . 0 0 "[ . 1 . 2]" 1
1083 1 55 GLN QB 1 56 LEU H . . 3.480 2.874 2.576 3.432 . 0 0 "[ . 1 . 2]" 1
1084 1 55 GLN QE 1 55 GLN QG . . 3.070 2.208 2.068 2.517 . 0 0 "[ . 1 . 2]" 1
1085 1 55 GLN QG 1 56 LEU H . . 3.990 3.217 1.915 4.004 0.014 16 0 "[ . 1 . 2]" 1
1086 1 55 GLN QE 1 110 LEU QB . . 3.980 3.107 1.928 3.986 0.006 19 0 "[ . 1 . 2]" 1
1087 1 55 GLN QE 1 110 LEU QD . . 3.930 2.354 1.837 3.443 . 0 0 "[ . 1 . 2]" 1
1088 1 56 LEU H 1 56 LEU QB . . 3.140 2.897 2.161 3.092 . 0 0 "[ . 1 . 2]" 1
1089 1 56 LEU H 1 56 LEU QD . . 3.770 2.437 1.918 3.754 . 0 0 "[ . 1 . 2]" 1
1090 1 56 LEU H 1 58 VAL QG . . 4.850 4.621 4.141 4.885 0.035 19 0 "[ . 1 . 2]" 1
1091 1 56 LEU QB 1 57 THR H . . 3.510 2.515 1.946 3.454 . 0 0 "[ . 1 . 2]" 1
1092 1 56 LEU QD 1 57 THR H . . 3.720 3.124 1.902 3.724 0.004 17 0 "[ . 1 . 2]" 1
1093 1 56 LEU QD 1 57 THR MG . . 4.030 3.603 2.436 4.036 0.006 6 0 "[ . 1 . 2]" 1
1094 1 56 LEU QD 1 58 VAL H . . 5.110 4.264 3.438 5.079 . 0 0 "[ . 1 . 2]" 1
1095 1 56 LEU QD 1 58 VAL HB . . 5.440 4.722 4.055 5.217 . 0 0 "[ . 1 . 2]" 1
1096 1 56 LEU QD 1 58 VAL QG . . 3.420 2.424 1.872 2.951 . 0 0 "[ . 1 . 2]" 1
1097 1 57 THR H 1 58 VAL QG . . 4.840 4.509 4.218 4.669 . 0 0 "[ . 1 . 2]" 1
1098 1 57 THR HA 1 58 VAL QG . . 4.130 3.382 3.217 3.789 . 0 0 "[ . 1 . 2]" 1
1099 1 58 VAL H 1 58 VAL QG . . 3.060 1.973 1.873 2.777 . 0 0 "[ . 1 . 2]" 1
1100 1 58 VAL QG 1 59 ALA H . . 4.630 3.475 2.696 3.628 . 0 0 "[ . 1 . 2]" 1
1101 1 60 LYS H 1 60 LYS QB . . 3.490 3.002 2.791 3.263 . 0 0 "[ . 1 . 2]" 1
1102 1 60 LYS H 1 60 LYS QG . . 3.980 2.682 2.087 3.608 . 0 0 "[ . 1 . 2]" 1
1103 1 60 LYS QB 1 61 ILE H . . 4.130 2.763 2.592 3.110 . 0 0 "[ . 1 . 2]" 1
1104 1 60 LYS QD 1 61 ILE H . . 5.340 4.601 3.426 5.254 . 0 0 "[ . 1 . 2]" 1
1105 1 61 ILE MG 1 63 VAL QG . . 4.950 2.827 2.626 3.938 . 0 0 "[ . 1 . 2]" 1
1106 1 61 ILE MD 1 66 ASN QB . . 3.860 3.507 3.281 3.778 . 0 0 "[ . 1 . 2]" 1
1107 1 62 ASP QB 1 65 ALA H . . 4.130 2.677 2.629 2.832 . 0 0 "[ . 1 . 2]" 1
1108 1 62 ASP QB 1 66 ASN H . . 4.440 4.445 4.394 4.499 0.059 6 0 "[ . 1 . 2]" 1
1109 1 63 VAL H 1 63 VAL QG . . 3.140 2.030 1.918 2.672 . 0 0 "[ . 1 . 2]" 1
1110 1 63 VAL H 1 64 ASP QB . . 4.870 4.497 4.447 4.527 . 0 0 "[ . 1 . 2]" 1
1111 1 63 VAL QG 1 64 ASP H . . 3.780 3.286 2.172 3.364 . 0 0 "[ . 1 . 2]" 1
1112 1 63 VAL QG 1 65 ALA H . . 5.440 4.389 4.122 4.444 . 0 0 "[ . 1 . 2]" 1
1113 1 63 VAL QG 1 66 ASN H . . 4.120 3.807 3.745 3.935 . 0 0 "[ . 1 . 2]" 1
1114 1 63 VAL QG 1 70 ALA H . . 5.440 2.972 2.867 3.185 . 0 0 "[ . 1 . 2]" 1
1115 1 63 VAL QG 1 70 ALA MB . . 3.580 2.089 2.024 2.160 . 0 0 "[ . 1 . 2]" 1
1116 1 63 VAL QG 1 78 ILE QG . . 4.440 2.142 1.825 2.734 . 0 0 "[ . 1 . 2]" 1
1117 1 63 VAL QG 1 78 ILE MD . . 4.190 1.807 1.689 2.032 . 0 0 "[ . 1 . 2]" 1
1118 1 64 ASP QB 1 65 ALA H . . 3.310 2.722 2.629 2.822 . 0 0 "[ . 1 . 2]" 1
1119 1 66 ASN H 1 66 ASN QB . . 3.390 2.506 2.325 3.088 . 0 0 "[ . 1 . 2]" 1
1120 1 66 ASN H 1 67 PRO QG . . 5.350 5.106 4.945 5.218 . 0 0 "[ . 1 . 2]" 1
1121 1 66 ASN QB 1 68 ALA H . . 4.590 4.114 3.941 4.508 . 0 0 "[ . 1 . 2]" 1
1122 1 66 ASN QB 1 69 THR H . . 4.470 3.478 3.290 3.969 . 0 0 "[ . 1 . 2]" 1
1123 1 66 ASN QB 1 70 ALA H . . 5.340 4.913 4.702 5.111 . 0 0 "[ . 1 . 2]" 1
1124 1 70 ALA H 1 72 ASP QB . . 4.780 4.647 4.303 4.787 0.007 17 0 "[ . 1 . 2]" 1
1125 1 70 ALA H 1 75 VAL QG . . 5.280 4.519 4.043 5.165 . 0 0 "[ . 1 . 2]" 1
1126 1 70 ALA HA 1 75 VAL QG . . 3.800 2.361 1.890 3.071 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ALA MB 1 75 VAL QG . . 4.580 2.626 1.866 3.233 . 0 0 "[ . 1 . 2]" 1
1128 1 71 ARG H 1 71 ARG QG . . 4.590 3.960 3.850 4.063 . 0 0 "[ . 1 . 2]" 1
1129 1 71 ARG H 1 72 ASP QB . . 4.720 4.440 4.305 4.503 . 0 0 "[ . 1 . 2]" 1
1130 1 71 ARG HA 1 71 ARG QG . . 3.500 2.538 2.215 2.883 . 0 0 "[ . 1 . 2]" 1
1131 1 71 ARG HA 1 71 ARG QD . . 4.240 3.216 2.066 4.212 . 0 0 "[ . 1 . 2]" 1
1132 1 71 ARG QD 1 72 ASP H . . 5.020 4.704 3.714 5.022 0.002 17 0 "[ . 1 . 2]" 1
1133 1 72 ASP H 1 72 ASP QB . . 3.000 2.131 2.053 2.222 . 0 0 "[ . 1 . 2]" 1
1134 1 72 ASP H 1 73 PHE QB . . 5.210 4.983 4.749 5.050 . 0 0 "[ . 1 . 2]" 1
1135 1 72 ASP H 1 75 VAL QG . . 4.970 4.738 4.368 4.995 0.025 12 0 "[ . 1 . 2]" 1
1136 1 73 PHE H 1 73 PHE QB . . 3.110 2.416 2.259 2.482 . 0 0 "[ . 1 . 2]" 1
1137 1 73 PHE H 1 74 GLN QE . . 4.550 4.232 3.884 4.620 0.070 16 0 "[ . 1 . 2]" 1
1138 1 73 PHE H 1 75 VAL QG . . 4.080 3.185 3.011 3.540 . 0 0 "[ . 1 . 2]" 1
1139 1 73 PHE HA 1 74 GLN QE . . 4.180 2.883 2.111 4.227 0.047 14 0 "[ . 1 . 2]" 1
1140 1 73 PHE QB 1 74 GLN H . . 4.430 3.708 3.541 3.751 . 0 0 "[ . 1 . 2]" 1
1141 1 73 PHE QB 1 75 VAL QG . . 4.400 2.572 1.912 3.113 . 0 0 "[ . 1 . 2]" 1
1142 1 74 GLN H 1 74 GLN QB . . 3.580 3.257 3.083 3.354 . 0 0 "[ . 1 . 2]" 1
1143 1 74 GLN H 1 74 GLN QG . . 4.360 2.891 2.400 3.684 . 0 0 "[ . 1 . 2]" 1
1144 1 74 GLN H 1 74 GLN QE . . 4.890 2.633 2.381 3.093 . 0 0 "[ . 1 . 2]" 1
1145 1 74 GLN H 1 75 VAL QG . . 4.180 3.859 3.725 4.087 . 0 0 "[ . 1 . 2]" 1
1146 1 74 GLN HA 1 74 GLN QG . . 3.640 2.466 2.220 2.989 . 0 0 "[ . 1 . 2]" 1
1147 1 74 GLN HA 1 74 GLN QE . . 4.930 3.630 3.121 4.139 . 0 0 "[ . 1 . 2]" 1
1148 1 74 GLN QB 1 74 GLN QG . . 2.310 2.014 1.989 2.037 . 0 0 "[ . 1 . 2]" 1
1149 1 74 GLN QB 1 74 GLN QE . . 3.500 2.988 1.923 3.502 0.002 16 0 "[ . 1 . 2]" 1
1150 1 75 VAL H 1 75 VAL QG . . 3.050 2.180 1.916 2.503 . 0 0 "[ . 1 . 2]" 1
1151 1 75 VAL HA 1 76 VAL QG . . 4.300 3.502 3.199 3.699 . 0 0 "[ . 1 . 2]" 1
1152 1 75 VAL QG 1 76 VAL H . . 3.500 2.362 2.006 2.632 . 0 0 "[ . 1 . 2]" 1
1153 1 75 VAL QG 1 77 SER H . . 3.490 2.220 2.046 2.367 . 0 0 "[ . 1 . 2]" 1
1154 1 75 VAL QG 1 78 ILE MG . . 4.820 1.796 1.655 2.049 . 0 0 "[ . 1 . 2]" 1
1155 1 75 VAL QG 1 78 ILE QG . . 5.280 3.870 3.494 4.438 . 0 0 "[ . 1 . 2]" 1
1156 1 76 VAL H 1 76 VAL QG . . 3.050 1.934 1.851 2.554 . 0 0 "[ . 1 . 2]" 1
1157 1 76 VAL QG 1 77 SER H . . 3.110 2.099 1.909 3.190 0.080 12 0 "[ . 1 . 2]" 1
1158 1 76 VAL QG 1 77 SER QB . . 3.730 2.694 2.349 3.445 . 0 0 "[ . 1 . 2]" 1
1159 1 76 VAL QG 1 78 ILE H . . 5.390 5.021 4.702 5.299 . 0 0 "[ . 1 . 2]" 1
1160 1 77 SER H 1 77 SER QB . . 3.160 2.875 2.399 3.140 . 0 0 "[ . 1 . 2]" 1
1161 1 77 SER QB 1 78 ILE H . . 4.380 3.322 3.071 3.832 . 0 0 "[ . 1 . 2]" 1
1162 1 78 ILE H 1 78 ILE QG . . 4.010 2.198 2.005 2.348 . 0 0 "[ . 1 . 2]" 1
1163 1 81 MET H 1 81 MET QB . . 3.440 2.545 2.263 2.676 . 0 0 "[ . 1 . 2]" 1
1164 1 81 MET H 1 81 MET QG . . 4.680 3.831 3.301 4.106 . 0 0 "[ . 1 . 2]" 1
1165 1 81 MET H 1 93 ILE QG . . 5.340 5.100 3.928 5.351 0.011 1 0 "[ . 1 . 2]" 1
1166 1 81 MET HA 1 81 MET QG . . 3.690 2.372 2.105 2.538 . 0 0 "[ . 1 . 2]" 1
1167 1 81 MET QB 1 93 ILE H . . 4.170 3.582 2.895 4.172 0.002 15 0 "[ . 1 . 2]" 1
1168 1 81 MET QB 1 93 ILE HB . . 4.120 2.847 2.347 3.084 . 0 0 "[ . 1 . 2]" 1
1169 1 81 MET QB 1 93 ILE MG . . 3.840 3.807 3.314 3.858 0.018 7 0 "[ . 1 . 2]" 1
1170 1 81 MET QB 1 93 ILE QG . . 4.800 4.148 3.029 4.534 . 0 0 "[ . 1 . 2]" 1
1171 1 81 MET QG 1 82 ILE H . . 3.950 3.295 2.415 3.962 0.012 17 0 "[ . 1 . 2]" 1
1172 1 85 LYS H 1 85 LYS QG . . 4.890 4.170 4.079 4.238 . 0 0 "[ . 1 . 2]" 1
1173 1 85 LYS HB2 1 85 LYS QD . . 3.700 3.008 2.115 3.449 . 0 0 "[ . 1 . 2]" 1
1174 1 85 LYS HB3 1 85 LYS QD . . 3.640 2.492 2.014 3.429 . 0 0 "[ . 1 . 2]" 1
1175 1 85 LYS QG 1 86 ASP H . . 3.660 3.178 2.697 3.633 . 0 0 "[ . 1 . 2]" 1
1176 1 85 LYS QD 1 86 ASP H . . 4.210 2.972 2.016 4.189 . 0 0 "[ . 1 . 2]" 1
1177 1 85 LYS QD 1 90 VAL MG2 . . 4.890 4.135 2.664 4.723 . 0 0 "[ . 1 . 2]" 1
1178 1 86 ASP H 1 87 GLY QA . . 4.840 4.509 4.497 4.558 . 0 0 "[ . 1 . 2]" 1
1179 1 86 ASP QB 1 87 GLY H . . 4.100 3.835 3.824 3.849 . 0 0 "[ . 1 . 2]" 1
1180 1 86 ASP QB 1 88 ALA H . . 4.540 3.546 3.422 3.610 . 0 0 "[ . 1 . 2]" 1
1181 1 88 ALA HA 1 89 PRO QG . . 4.440 4.037 4.026 4.045 . 0 0 "[ . 1 . 2]" 1
1182 1 88 ALA MB 1 89 PRO QG . . 4.450 3.521 3.422 3.562 . 0 0 "[ . 1 . 2]" 1
1183 1 89 PRO QB 1 90 VAL H . . 3.500 3.306 3.276 3.337 . 0 0 "[ . 1 . 2]" 1
1184 1 91 LYS H 1 91 LYS QB . . 3.400 2.739 2.642 2.886 . 0 0 "[ . 1 . 2]" 1
1185 1 91 LYS HA 1 91 LYS QD . . 3.720 2.359 1.965 2.860 . 0 0 "[ . 1 . 2]" 1
1186 1 91 LYS HA 1 91 LYS QE . . 2.920 2.345 1.953 2.930 0.010 7 0 "[ . 1 . 2]" 1
1187 1 91 LYS QB 1 92 ARG H . . 4.320 3.182 2.981 3.406 . 0 0 "[ . 1 . 2]" 1
1188 1 91 LYS QG 1 92 ARG H . . 4.660 2.142 1.940 2.412 . 0 0 "[ . 1 . 2]" 1
1189 1 91 LYS QD 1 92 ARG H . . 4.070 3.446 1.927 4.071 0.001 12 0 "[ . 1 . 2]" 1
1190 1 91 LYS QE 1 92 ARG H . . 4.720 3.174 2.208 4.340 . 0 0 "[ . 1 . 2]" 1
1191 1 92 ARG H 1 92 ARG QG . . 4.520 2.495 2.218 2.589 . 0 0 "[ . 1 . 2]" 1
1192 1 92 ARG H 1 92 ARG QD . . 5.020 4.366 2.719 4.547 . 0 0 "[ . 1 . 2]" 1
1193 1 92 ARG H 1 93 ILE QG . . 4.540 3.471 2.973 4.228 . 0 0 "[ . 1 . 2]" 1
1194 1 93 ILE H 1 93 ILE QG . . 3.440 2.767 2.550 3.018 . 0 0 "[ . 1 . 2]" 1
1195 1 93 ILE HA 1 93 ILE QG . . 3.730 2.791 2.390 2.948 . 0 0 "[ . 1 . 2]" 1
1196 1 93 ILE HA 1 94 VAL QG . . 4.690 3.565 3.339 3.689 . 0 0 "[ . 1 . 2]" 1
1197 1 93 ILE QG 1 93 ILE MG . . 3.320 2.249 2.035 2.352 . 0 0 "[ . 1 . 2]" 1
1198 1 93 ILE QG 1 94 VAL H . . 5.030 4.459 3.978 4.722 . 0 0 "[ . 1 . 2]" 1
1199 1 94 VAL H 1 94 VAL QG . . 3.120 2.213 1.931 2.756 . 0 0 "[ . 1 . 2]" 1
1200 1 94 VAL QG 1 95 GLY H . . 4.010 2.451 1.920 3.279 . 0 0 "[ . 1 . 2]" 1
1201 1 94 VAL QG 1 96 ALA H . . 5.440 5.028 4.450 5.512 0.072 11 0 "[ . 1 . 2]" 1
1202 1 95 GLY QA 1 96 ALA H . . 2.900 2.189 2.115 2.268 . 0 0 "[ . 1 . 2]" 1
1203 1 97 LYS H 1 97 LYS QB . . 3.510 2.774 2.410 3.174 . 0 0 "[ . 1 . 2]" 1
1204 1 97 LYS QB 1 98 GLY H . . 2.920 1.983 1.928 2.150 . 0 0 "[ . 1 . 2]" 1
1205 1 97 LYS QG 1 98 GLY H . . 4.570 3.770 3.211 4.170 . 0 0 "[ . 1 . 2]" 1
1206 1 99 LYS H 1 99 LYS QB . . 3.390 2.317 2.219 2.671 . 0 0 "[ . 1 . 2]" 1
1207 1 99 LYS H 1 99 LYS QG . . 3.910 3.320 1.955 4.003 0.093 20 0 "[ . 1 . 2]" 1
1208 1 99 LYS HA 1 102 LEU QB . . 4.260 2.567 2.318 3.048 . 0 0 "[ . 1 . 2]" 1
1209 1 99 LYS QG 1 100 ALA H . . 4.070 2.850 2.125 4.080 0.010 14 0 "[ . 1 . 2]" 1
1210 1 99 LYS QG 1 103 LEU MD1 . . 3.350 2.668 1.963 3.347 . 0 0 "[ . 1 . 2]" 1
1211 1 101 ALA H 1 102 LEU QD . . 5.020 4.214 3.399 5.048 0.028 4 0 "[ . 1 . 2]" 1
1212 1 102 LEU H 1 102 LEU QB . . 3.130 2.249 2.025 2.644 . 0 0 "[ . 1 . 2]" 1
1213 1 102 LEU H 1 102 LEU QD . . 3.400 2.532 1.924 3.295 . 0 0 "[ . 1 . 2]" 1
1214 1 102 LEU HA 1 102 LEU QD . . 3.880 2.291 1.921 2.996 . 0 0 "[ . 1 . 2]" 1
1215 1 103 LEU HA 1 106 LEU QD . . 3.380 2.444 1.879 3.340 . 0 0 "[ . 1 . 2]" 1
1216 1 104 ARG H 1 104 ARG QD . . 4.580 4.417 4.147 4.567 . 0 0 "[ . 1 . 2]" 1
1217 1 104 ARG H 1 105 GLU QG . . 4.600 4.172 3.760 4.610 0.010 19 0 "[ . 1 . 2]" 1
1218 1 104 ARG HA 1 104 ARG QD . . 4.320 3.557 2.109 4.258 . 0 0 "[ . 1 . 2]" 1
1219 1 104 ARG HB3 1 104 ARG QD . . 3.470 2.732 2.242 3.472 0.002 18 0 "[ . 1 . 2]" 1
1220 1 104 ARG QG 1 105 GLU H . . 4.000 3.495 3.114 3.728 . 0 0 "[ . 1 . 2]" 1
1221 1 104 ARG QD 1 105 GLU H . . 5.190 4.681 4.131 5.058 . 0 0 "[ . 1 . 2]" 1
1222 1 105 GLU H 1 105 GLU QG . . 3.130 2.131 1.933 2.511 . 0 0 "[ . 1 . 2]" 1
1223 1 105 GLU QB 1 106 LEU H . . 3.580 2.491 2.043 2.747 . 0 0 "[ . 1 . 2]" 1
1224 1 105 GLU QB 1 107 SER H . . 4.980 4.560 4.230 4.904 . 0 0 "[ . 1 . 2]" 1
1225 1 105 GLU QG 1 106 LEU H . . 4.560 3.960 3.529 4.223 . 0 0 "[ . 1 . 2]" 1
1226 1 106 LEU H 1 106 LEU QB . . 3.100 2.469 2.196 2.705 . 0 0 "[ . 1 . 2]" 1
1227 1 106 LEU H 1 106 LEU QD . . 3.230 2.864 1.919 3.177 . 0 0 "[ . 1 . 2]" 1
1228 1 106 LEU HA 1 106 LEU QD . . 4.070 2.826 2.023 3.434 . 0 0 "[ . 1 . 2]" 1
1229 1 106 LEU QB 1 107 SER H . . 3.660 3.063 2.362 3.526 . 0 0 "[ . 1 . 2]" 1
1230 1 106 LEU QB 1 109 ALA MB . . 4.130 3.903 3.463 4.132 0.002 19 0 "[ . 1 . 2]" 1
1231 1 107 SER H 1 107 SER QB . . 3.150 2.241 2.139 2.662 . 0 0 "[ . 1 . 2]" 1
1232 1 107 SER HA 1 110 LEU QD . . 5.440 3.905 1.931 5.139 . 0 0 "[ . 1 . 2]" 1
1233 1 108 ASP H 1 108 ASP QB . . 2.740 2.137 2.048 2.263 . 0 0 "[ . 1 . 2]" 1
1234 1 108 ASP QB 1 109 ALA H . . 3.880 2.688 2.448 2.819 . 0 0 "[ . 1 . 2]" 1
1235 1 109 ALA MB 1 110 LEU QD . . 4.160 3.118 2.227 4.085 . 0 0 "[ . 1 . 2]" 1
1236 1 110 LEU H 1 110 LEU QB . . 3.110 2.762 2.496 2.928 . 0 0 "[ . 1 . 2]" 1
1237 1 110 LEU H 1 110 LEU QD . . 3.880 3.168 2.737 3.465 . 0 0 "[ . 1 . 2]" 1
1238 1 110 LEU HA 1 110 LEU QD . . 4.170 2.893 2.145 3.443 . 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 12
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 726.626
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0801
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1514
_Distance_constraint_stats_list.Viol_average_violations_only 0.1527
_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 26 VAL 8.829 0.238 16 0 "[ . 1 . 2]"
1 28 VAL 16.497 0.304 12 0 "[ . 1 . 2]"
1 30 PHE 11.005 0.303 16 0 "[ . 1 . 2]"
1 80 THR 11.005 0.303 16 0 "[ . 1 . 2]"
1 82 ILE 16.497 0.304 12 0 "[ . 1 . 2]"
1 84 PHE 8.829 0.238 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 VAL H 1 84 PHE O . . 1.800 1.863 1.787 2.018 0.218 10 0 "[ . 1 . 2]" 2
2 1 26 VAL N 1 84 PHE O . . 2.700 2.775 2.732 2.905 0.205 10 0 "[ . 1 . 2]" 2
3 1 28 VAL H 1 82 ILE O . . 1.800 2.025 1.992 2.049 0.249 10 0 "[ . 1 . 2]" 2
4 1 28 VAL N 1 82 ILE O . . 2.700 2.965 2.935 3.004 0.304 12 0 "[ . 1 . 2]" 2
5 1 30 PHE H 1 80 THR O . . 1.800 1.982 1.879 2.031 0.231 9 0 "[ . 1 . 2]" 2
6 1 30 PHE N 1 80 THR O . . 2.700 2.744 2.723 2.833 0.133 7 0 "[ . 1 . 2]" 2
7 1 30 PHE O 1 80 THR H . . 1.800 1.956 1.848 2.028 0.228 16 0 "[ . 1 . 2]" 2
8 1 30 PHE O 1 80 THR N . . 2.700 2.869 2.749 3.003 0.303 16 0 "[ . 1 . 2]" 2
9 1 28 VAL O 1 82 ILE H . . 1.800 1.981 1.805 2.025 0.225 7 0 "[ . 1 . 2]" 2
10 1 28 VAL O 1 82 ILE N . . 2.700 2.854 2.765 2.960 0.260 3 0 "[ . 1 . 2]" 2
11 1 26 VAL O 1 84 PHE H . . 1.800 1.986 1.924 2.038 0.238 16 0 "[ . 1 . 2]" 2
12 1 26 VAL O 1 84 PHE N . . 2.700 2.817 2.749 2.920 0.220 10 0 "[ . 1 . 2]" 2
stop_
save_
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