NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547569 |
2rso   |
11497 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rso
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 695
_Distance_constraint_stats_list.Viol_count 546
_Distance_constraint_stats_list.Viol_total 1016.944
_Distance_constraint_stats_list.Viol_max 1.579
_Distance_constraint_stats_list.Viol_rms 0.0461
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0931
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.014 0.014 9 0 "[ . 1 . 2]"
1 8 SER 0.014 0.014 9 0 "[ . 1 . 2]"
1 9 SER 0.031 0.016 17 0 "[ . 1 . 2]"
1 10 SER 0.031 0.016 17 0 "[ . 1 . 2]"
1 11 LYS 0.006 0.005 16 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.126 0.091 20 0 "[ . 1 . 2]"
1 14 LYS 0.411 0.122 18 0 "[ . 1 . 2]"
1 15 GLU 0.013 0.013 3 0 "[ . 1 . 2]"
1 16 ASN 0.013 0.013 3 0 "[ . 1 . 2]"
1 17 ALA 0.065 0.022 5 0 "[ . 1 . 2]"
1 18 LYS 0.065 0.022 5 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.283 0.282 18 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.211 0.063 1 0 "[ . 1 . 2]"
1 29 ASP 0.113 0.045 1 0 "[ . 1 . 2]"
1 30 GLU 0.644 0.083 19 0 "[ . 1 . 2]"
1 31 TYR 0.562 0.210 15 0 "[ . 1 . 2]"
1 32 VAL 0.404 0.083 19 0 "[ . 1 . 2]"
1 33 VAL 0.251 0.028 8 0 "[ . 1 . 2]"
1 34 GLU 0.439 0.245 19 0 "[ . 1 . 2]"
1 35 LYS 2.343 0.496 17 0 "[ . 1 . 2]"
1 36 VAL 4.173 0.340 17 0 "[ . 1 . 2]"
1 37 LEU 13.839 1.579 19 6 "[ . 1 *-**+*]"
1 38 LYS 0.285 0.159 19 0 "[ . 1 . 2]"
1 39 HIS 0.085 0.027 10 0 "[ . 1 . 2]"
1 40 ARG 0.111 0.027 10 0 "[ . 1 . 2]"
1 41 MET 0.006 0.003 2 0 "[ . 1 . 2]"
1 42 ALA 0.045 0.044 16 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.044 0.044 16 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 18 0 "[ . 1 . 2]"
1 48 TYR 0.235 0.234 18 0 "[ . 1 . 2]"
1 49 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 50 TYR 3.962 1.398 19 4 "[ . 1 . *-+*]"
1 51 LEU 5.291 0.720 16 6 "[ . 1 *+**-*]"
1 52 LEU 8.467 1.040 20 6 "[ . 1 **-**+]"
1 53 LYS 3.520 0.938 19 3 "[ . 1 - * +2]"
1 54 TRP 5.341 0.798 15 4 "[ . 1 +* -*]"
1 55 GLU 0.146 0.015 19 0 "[ . 1 . 2]"
1 56 GLY 0.009 0.009 8 0 "[ . 1 . 2]"
1 57 TYR 0.007 0.007 13 0 "[ . 1 . 2]"
1 58 ASP 0.483 0.076 20 0 "[ . 1 . 2]"
1 59 ASP 0.483 0.076 20 0 "[ . 1 . 2]"
1 60 PRO 0.546 0.118 20 0 "[ . 1 . 2]"
1 61 SER 0.579 0.118 20 0 "[ . 1 . 2]"
1 62 ASP 0.061 0.026 19 0 "[ . 1 . 2]"
1 63 ASN 11.657 1.579 19 6 "[ . 1 *-**+*]"
1 64 THR 6.518 1.040 20 6 "[ . 1 **-**+]"
1 65 TRP 4.774 0.720 16 6 "[ . 1 *+**-*]"
1 66 SER 0.185 0.060 15 0 "[ . 1 . 2]"
1 67 SER 0.006 0.003 6 0 "[ . 1 . 2]"
1 68 GLU 2.295 1.398 19 1 "[ . 1 . +2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.155 0.146 15 0 "[ . 1 . 2]"
1 71 CYS 0.386 0.094 20 0 "[ . 1 . 2]"
1 72 SER 0.052 0.023 6 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 CYS 0.856 0.520 16 1 "[ . 1 .+ 2]"
1 75 LYS 0.217 0.024 5 0 "[ . 1 . 2]"
1 76 GLN 0.489 0.162 20 0 "[ . 1 . 2]"
1 77 LEU 5.826 0.520 16 1 "[ . 1 .+ 2]"
1 78 ILE 4.432 0.773 20 3 "[ . 1 . *- +]"
1 79 GLU 0.045 0.017 18 0 "[ . 1 . 2]"
1 80 ALA 0.469 0.161 16 0 "[ . 1 . 2]"
1 81 TYR 2.628 0.340 17 0 "[ . 1 . 2]"
1 82 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.469 0.161 16 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.010 0.010 15 0 "[ . 1 . 2]"
1 89 PRO 0.055 0.055 15 0 "[ . 1 . 2]"
1 90 GLU 0.055 0.055 15 0 "[ . 1 . 2]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET QB 1 6 SER H . . 4.770 3.808 2.582 4.700 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET QG 1 6 SER H . . 4.940 3.255 1.991 4.925 . 0 0 "[ . 1 . 2]" 1
3 1 7 LYS HA 1 7 LYS QD . . 4.440 3.432 2.052 4.341 . 0 0 "[ . 1 . 2]" 1
4 1 7 LYS HA 1 8 SER H . . 3.400 2.373 2.140 3.414 0.014 9 0 "[ . 1 . 2]" 1
5 1 9 SER HA 1 10 SER H . . 3.540 2.471 2.138 3.556 0.016 17 0 "[ . 1 . 2]" 1
6 1 9 SER QB 1 10 SER H . . 4.300 3.159 1.981 3.985 . 0 0 "[ . 1 . 2]" 1
7 1 11 LYS HA 1 11 LYS QD . . 2.970 2.320 1.979 2.975 0.005 16 0 "[ . 1 . 2]" 1
8 1 11 LYS HA 1 11 LYS QG . . 3.460 2.601 2.302 2.920 . 0 0 "[ . 1 . 2]" 1
9 1 11 LYS QB 1 11 LYS QD . . 2.400 2.254 2.094 2.401 0.001 18 0 "[ . 1 . 2]" 1
10 1 12 LYS HA 1 12 LYS QD . . 3.100 2.391 1.991 3.066 . 0 0 "[ . 1 . 2]" 1
11 1 12 LYS HA 1 12 LYS QE . . 3.760 3.198 1.976 3.760 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS HA 1 12 LYS QG . . 3.220 2.628 2.237 3.045 . 0 0 "[ . 1 . 2]" 1
13 1 12 LYS HA 1 13 LEU H . . 2.760 2.215 2.141 2.447 . 0 0 "[ . 1 . 2]" 1
14 1 12 LYS QB 1 12 LYS QE . . 4.360 2.960 1.991 3.776 . 0 0 "[ . 1 . 2]" 1
15 1 12 LYS QE 1 12 LYS QG . . 3.110 2.243 1.973 2.554 . 0 0 "[ . 1 . 2]" 1
16 1 13 LEU H 1 13 LEU QB . . 2.790 2.481 2.163 2.881 0.091 20 0 "[ . 1 . 2]" 1
17 1 13 LEU H 1 13 LEU QD . . 4.210 3.366 2.209 3.956 . 0 0 "[ . 1 . 2]" 1
18 1 13 LEU HA 1 13 LEU MD1 . . 3.980 3.015 2.104 3.938 . 0 0 "[ . 1 . 2]" 1
19 1 13 LEU HA 1 13 LEU QD . . 3.020 2.268 2.001 2.904 . 0 0 "[ . 1 . 2]" 1
20 1 13 LEU HA 1 13 LEU MD2 . . 3.980 2.859 2.008 3.954 . 0 0 "[ . 1 . 2]" 1
21 1 13 LEU HA 1 14 LYS H . . 2.880 2.258 2.139 2.654 . 0 0 "[ . 1 . 2]" 1
22 1 13 LEU QB 1 13 LEU QD . . 2.750 1.911 1.820 1.986 . 0 0 "[ . 1 . 2]" 1
23 1 14 LYS H 1 14 LYS QD . . 3.210 2.676 2.164 3.248 0.038 6 0 "[ . 1 . 2]" 1
24 1 14 LYS HA 1 14 LYS QE . . 4.360 4.265 3.751 4.482 0.122 18 0 "[ . 1 . 2]" 1
25 1 14 LYS QB 1 14 LYS QD . . 2.400 2.252 1.975 2.423 0.023 6 0 "[ . 1 . 2]" 1
26 1 15 GLU HA 1 16 ASN H . . 3.350 2.435 2.144 3.363 0.013 3 0 "[ . 1 . 2]" 1
27 1 15 GLU QB 1 16 ASN H . . 4.210 3.376 2.237 3.908 . 0 0 "[ . 1 . 2]" 1
28 1 17 ALA H 1 17 ALA MB . . 3.320 2.486 2.028 2.883 . 0 0 "[ . 1 . 2]" 1
29 1 17 ALA HA 1 18 LYS H . . 3.190 2.362 2.141 3.007 . 0 0 "[ . 1 . 2]" 1
30 1 17 ALA MB 1 18 LYS H . . 3.550 2.997 2.174 3.572 0.022 5 0 "[ . 1 . 2]" 1
31 1 18 LYS HA 1 18 LYS QD . . 4.730 3.685 2.043 4.416 . 0 0 "[ . 1 . 2]" 1
32 1 20 GLU QG 1 21 GLU H . . 4.720 3.613 2.144 4.410 . 0 0 "[ . 1 . 2]" 1
33 1 21 GLU H 1 21 GLU QG . . 4.920 3.642 1.937 4.450 . 0 0 "[ . 1 . 2]" 1
34 1 22 GLY QA 1 23 GLY H . . 3.170 2.249 2.114 2.693 . 0 0 "[ . 1 . 2]" 1
35 1 23 GLY H 1 24 GLU HA . . 4.450 4.315 4.153 4.428 . 0 0 "[ . 1 . 2]" 1
36 1 23 GLY H 1 24 GLU QG . . 5.030 3.676 2.679 4.880 . 0 0 "[ . 1 . 2]" 1
37 1 23 GLY QA 1 24 GLU H . . 3.160 2.437 2.126 2.782 . 0 0 "[ . 1 . 2]" 1
38 1 24 GLU H 1 24 GLU QB . . 3.470 2.468 2.220 2.796 . 0 0 "[ . 1 . 2]" 1
39 1 24 GLU H 1 24 GLU QG . . 4.200 2.861 1.985 3.779 . 0 0 "[ . 1 . 2]" 1
40 1 24 GLU HA 1 25 GLU H . . 2.930 2.292 2.143 2.623 . 0 0 "[ . 1 . 2]" 1
41 1 24 GLU QB 1 25 GLU H . . 3.960 2.933 1.991 3.886 . 0 0 "[ . 1 . 2]" 1
42 1 26 GLU H 1 26 GLU QB . . 2.850 2.578 2.276 3.132 0.282 18 0 "[ . 1 . 2]" 1
43 1 26 GLU HA 1 27 GLU H . . 2.400 2.236 2.143 2.373 . 0 0 "[ . 1 . 2]" 1
44 1 27 GLU H 1 27 GLU QG . . 3.070 2.503 1.936 3.062 . 0 0 "[ . 1 . 2]" 1
45 1 27 GLU QB 1 27 GLU QG . . 2.440 2.044 1.981 2.086 . 0 0 "[ . 1 . 2]" 1
46 1 28 GLU HA 1 28 GLU QG . . 3.280 2.539 2.132 3.343 0.063 1 0 "[ . 1 . 2]" 1
47 1 28 GLU QB 1 29 ASP H . . 3.100 2.752 2.085 3.145 0.045 1 0 "[ . 1 . 2]" 1
48 1 28 GLU QG 1 29 ASP H . . 3.540 2.720 1.925 3.537 . 0 0 "[ . 1 . 2]" 1
49 1 29 ASP H 1 29 ASP QB . . 3.030 2.655 2.210 3.075 0.045 1 0 "[ . 1 . 2]" 1
50 1 29 ASP HA 1 30 GLU H . . 2.860 2.394 2.140 2.883 0.023 1 0 "[ . 1 . 2]" 1
51 1 29 ASP QB 1 30 GLU H . . 4.340 3.167 2.116 3.983 . 0 0 "[ . 1 . 2]" 1
52 1 29 ASP HB2 1 30 GLU H . . 5.190 3.904 2.424 4.644 . 0 0 "[ . 1 . 2]" 1
53 1 29 ASP HB3 1 30 GLU H . . 5.190 3.564 2.152 4.487 . 0 0 "[ . 1 . 2]" 1
54 1 30 GLU HA 1 30 GLU QG . . 3.230 2.609 2.176 3.310 0.080 19 0 "[ . 1 . 2]" 1
55 1 30 GLU HA 1 31 TYR H . . 2.580 2.365 2.191 2.581 0.001 6 0 "[ . 1 . 2]" 1
56 1 30 GLU HA 1 31 TYR QB . . 5.340 4.596 4.365 4.793 . 0 0 "[ . 1 . 2]" 1
57 1 30 GLU QB 1 31 TYR H . . 3.010 2.526 2.035 2.976 . 0 0 "[ . 1 . 2]" 1
58 1 30 GLU QB 1 32 VAL HA . . 5.420 5.345 5.172 5.503 0.083 19 0 "[ . 1 . 2]" 1
59 1 31 TYR H 1 31 TYR HB2 . . 3.710 2.654 2.360 2.933 . 0 0 "[ . 1 . 2]" 1
60 1 31 TYR H 1 31 TYR QB . . 3.100 2.596 2.331 2.855 . 0 0 "[ . 1 . 2]" 1
61 1 31 TYR H 1 31 TYR HB3 . . 3.710 3.679 3.593 3.920 0.210 15 0 "[ . 1 . 2]" 1
62 1 31 TYR H 1 31 TYR QD . . 3.730 2.989 2.130 3.525 . 0 0 "[ . 1 . 2]" 1
63 1 31 TYR H 1 32 VAL H . . 4.750 4.377 3.967 4.601 . 0 0 "[ . 1 . 2]" 1
64 1 31 TYR HA 1 31 TYR QD . . 3.670 2.504 2.123 3.049 . 0 0 "[ . 1 . 2]" 1
65 1 31 TYR HA 1 31 TYR QE . . 4.930 4.604 4.366 4.827 . 0 0 "[ . 1 . 2]" 1
66 1 31 TYR HA 1 32 VAL H . . 3.300 2.226 2.138 2.539 . 0 0 "[ . 1 . 2]" 1
67 1 31 TYR HA 1 32 VAL MG1 . . 5.500 4.871 3.573 5.512 0.012 11 0 "[ . 1 . 2]" 1
68 1 31 TYR HA 1 32 VAL MG2 . . 5.500 4.204 3.140 5.513 0.013 8 0 "[ . 1 . 2]" 1
69 1 31 TYR QB 1 32 VAL H . . 3.680 3.137 2.119 3.549 . 0 0 "[ . 1 . 2]" 1
70 1 31 TYR QB 1 54 TRP HZ3 . . 5.220 2.629 2.273 3.323 . 0 0 "[ . 1 . 2]" 1
71 1 31 TYR HB2 1 32 VAL H . . 4.330 4.039 3.321 4.313 . 0 0 "[ . 1 . 2]" 1
72 1 31 TYR HB2 1 54 TRP HE3 . . 5.470 3.828 2.550 4.798 . 0 0 "[ . 1 . 2]" 1
73 1 31 TYR HB3 1 32 VAL H . . 4.330 3.288 2.136 3.775 . 0 0 "[ . 1 . 2]" 1
74 1 31 TYR HB3 1 54 TRP HE3 . . 5.470 2.711 2.104 3.397 . 0 0 "[ . 1 . 2]" 1
75 1 31 TYR QD 1 32 VAL H . . 4.610 4.237 3.198 4.610 . 19 0 "[ . 1 . 2]" 1
76 1 32 VAL H 1 32 VAL HB . . 3.400 2.983 2.798 3.305 . 0 0 "[ . 1 . 2]" 1
77 1 32 VAL H 1 32 VAL MG1 . . 4.600 3.321 2.054 3.949 . 0 0 "[ . 1 . 2]" 1
78 1 32 VAL H 1 32 VAL QG . . 3.980 2.531 2.047 2.816 . 0 0 "[ . 1 . 2]" 1
79 1 32 VAL H 1 32 VAL MG2 . . 4.600 3.183 2.729 3.953 . 0 0 "[ . 1 . 2]" 1
80 1 32 VAL H 1 33 VAL H . . 4.500 4.395 4.224 4.428 . 0 0 "[ . 1 . 2]" 1
81 1 32 VAL H 1 34 GLU H . . 5.500 5.501 5.487 5.509 0.009 12 0 "[ . 1 . 2]" 1
82 1 32 VAL H 1 54 TRP HE3 . . 4.080 2.845 2.371 3.483 . 0 0 "[ . 1 . 2]" 1
83 1 32 VAL H 1 54 TRP HZ3 . . 5.190 3.664 3.154 4.267 . 0 0 "[ . 1 . 2]" 1
84 1 32 VAL H 1 55 GLU H . . 4.060 3.656 2.927 4.039 . 0 0 "[ . 1 . 2]" 1
85 1 32 VAL HA 1 32 VAL MG1 . . 3.500 2.586 2.202 3.203 . 0 0 "[ . 1 . 2]" 1
86 1 32 VAL HA 1 32 VAL QG . . 3.030 2.135 2.047 2.321 . 0 0 "[ . 1 . 2]" 1
87 1 32 VAL HA 1 32 VAL MG2 . . 3.500 2.376 2.182 2.450 . 0 0 "[ . 1 . 2]" 1
88 1 32 VAL HA 1 33 VAL H . . 3.030 2.252 2.145 2.284 . 0 0 "[ . 1 . 2]" 1
89 1 32 VAL HA 1 33 VAL QG . . 4.680 3.473 3.386 3.658 . 0 0 "[ . 1 . 2]" 1
90 1 32 VAL HB 1 33 VAL H . . 4.290 3.861 3.701 4.196 . 0 0 "[ . 1 . 2]" 1
91 1 32 VAL QG 1 33 VAL H . . 3.650 2.147 1.934 2.563 . 0 0 "[ . 1 . 2]" 1
92 1 32 VAL MG1 1 33 VAL H . . 4.340 2.711 1.938 3.897 . 0 0 "[ . 1 . 2]" 1
93 1 32 VAL MG1 1 55 GLU H . . 5.500 4.806 3.546 5.507 0.007 16 0 "[ . 1 . 2]" 1
94 1 32 VAL MG2 1 33 VAL H . . 4.340 3.337 1.983 4.057 . 0 0 "[ . 1 . 2]" 1
95 1 32 VAL MG2 1 55 GLU H . . 5.500 5.455 4.934 5.508 0.008 7 0 "[ . 1 . 2]" 1
96 1 33 VAL H 1 33 VAL HB . . 3.340 2.670 2.621 2.703 . 0 0 "[ . 1 . 2]" 1
97 1 33 VAL H 1 33 VAL QG . . 3.140 1.976 1.907 2.143 . 0 0 "[ . 1 . 2]" 1
98 1 33 VAL H 1 34 GLU H . . 4.660 4.451 4.433 4.471 . 0 0 "[ . 1 . 2]" 1
99 1 33 VAL H 1 54 TRP HE3 . . 4.890 4.616 3.166 4.898 0.008 20 0 "[ . 1 . 2]" 1
100 1 33 VAL H 1 54 TRP HZ3 . . 4.760 3.919 2.760 4.441 . 0 0 "[ . 1 . 2]" 1
101 1 33 VAL HA 1 33 VAL MG1 . . 3.650 2.395 2.323 3.182 . 0 0 "[ . 1 . 2]" 1
102 1 33 VAL HA 1 33 VAL MG2 . . 3.650 2.436 2.370 2.477 . 0 0 "[ . 1 . 2]" 1
103 1 33 VAL HA 1 34 GLU H . . 3.430 2.143 2.142 2.145 . 0 0 "[ . 1 . 2]" 1
104 1 33 VAL HA 1 35 LYS H . . 4.220 3.970 3.453 4.173 . 0 0 "[ . 1 . 2]" 1
105 1 33 VAL HA 1 54 TRP HA . . 4.050 3.488 2.568 3.839 . 0 0 "[ . 1 . 2]" 1
106 1 33 VAL HA 1 54 TRP HE3 . . 4.000 3.943 3.391 4.020 0.020 12 0 "[ . 1 . 2]" 1
107 1 33 VAL HA 1 54 TRP HZ3 . . 5.500 4.455 4.064 4.792 . 0 0 "[ . 1 . 2]" 1
108 1 33 VAL QG 1 34 GLU H . . 3.590 2.790 2.641 2.895 . 0 0 "[ . 1 . 2]" 1
109 1 33 VAL QG 1 35 LYS H . . 3.540 2.842 2.175 3.221 . 0 0 "[ . 1 . 2]" 1
110 1 33 VAL QG 1 52 LEU QB . . 4.640 2.008 1.760 2.457 . 0 0 "[ . 1 . 2]" 1
111 1 33 VAL QG 1 53 LYS H . . 3.610 2.774 2.225 3.032 . 0 0 "[ . 1 . 2]" 1
112 1 33 VAL QG 1 54 TRP HA . . 4.810 4.389 3.969 4.655 . 0 0 "[ . 1 . 2]" 1
113 1 33 VAL QG 1 54 TRP HE3 . . 4.670 4.337 4.050 4.470 . 0 0 "[ . 1 . 2]" 1
114 1 33 VAL QG 1 54 TRP HZ3 . . 3.920 3.677 3.249 3.930 0.010 6 0 "[ . 1 . 2]" 1
115 1 33 VAL QG 1 55 GLU H . . 5.440 5.181 4.694 5.449 0.009 17 0 "[ . 1 . 2]" 1
116 1 33 VAL QG 1 74 CYS QB . . 4.400 2.859 2.405 3.517 . 0 0 "[ . 1 . 2]" 1
117 1 33 VAL MG1 1 54 TRP HA . . 5.500 4.906 4.323 5.168 . 0 0 "[ . 1 . 2]" 1
118 1 33 VAL MG1 1 74 CYS HA . . 5.500 4.742 4.269 5.307 . 0 0 "[ . 1 . 2]" 1
119 1 33 VAL MG2 1 54 TRP HA . . 5.500 4.966 4.364 5.353 . 0 0 "[ . 1 . 2]" 1
120 1 33 VAL MG2 1 74 CYS HA . . 5.500 5.502 5.463 5.528 0.028 8 0 "[ . 1 . 2]" 1
121 1 34 GLU H 1 34 GLU QB . . 3.480 2.320 2.200 2.484 . 0 0 "[ . 1 . 2]" 1
122 1 34 GLU H 1 35 LYS H . . 3.420 2.390 1.943 2.615 . 0 0 "[ . 1 . 2]" 1
123 1 34 GLU H 1 53 LYS H . . 5.500 3.878 3.424 4.683 . 0 0 "[ . 1 . 2]" 1
124 1 34 GLU H 1 54 TRP HA . . 3.930 3.274 2.946 3.673 . 0 0 "[ . 1 . 2]" 1
125 1 34 GLU H 1 54 TRP HE3 . . 5.190 4.797 4.462 4.915 . 0 0 "[ . 1 . 2]" 1
126 1 34 GLU QB 1 35 LYS H . . 3.250 2.493 2.230 3.495 0.245 19 0 "[ . 1 . 2]" 1
127 1 34 GLU QB 1 55 GLU H . . 4.320 2.693 2.195 3.177 . 0 0 "[ . 1 . 2]" 1
128 1 34 GLU QB 1 56 GLY H . . 5.160 4.276 3.899 5.169 0.009 8 0 "[ . 1 . 2]" 1
129 1 34 GLU HB2 1 35 LYS H . . 3.860 3.641 3.387 3.964 0.104 19 0 "[ . 1 . 2]" 1
130 1 34 GLU HB3 1 35 LYS H . . 3.860 2.561 2.253 3.885 0.025 19 0 "[ . 1 . 2]" 1
131 1 35 LYS H 1 36 VAL H . . 4.570 4.367 4.268 4.401 . 0 0 "[ . 1 . 2]" 1
132 1 35 LYS H 1 53 LYS H . . 4.180 3.103 2.786 3.496 . 0 0 "[ . 1 . 2]" 1
133 1 35 LYS H 1 53 LYS QB . . 3.830 2.412 2.102 2.739 . 0 0 "[ . 1 . 2]" 1
134 1 35 LYS H 1 54 TRP HA . . 5.030 5.050 4.836 5.354 0.324 19 0 "[ . 1 . 2]" 1
135 1 35 LYS H 1 55 GLU H . . 5.500 5.442 5.221 5.515 0.015 19 0 "[ . 1 . 2]" 1
136 1 35 LYS HA 1 35 LYS QG . . 3.530 3.019 2.096 3.387 . 0 0 "[ . 1 . 2]" 1
137 1 35 LYS HA 1 36 VAL H . . 3.130 2.518 2.213 2.544 . 0 0 "[ . 1 . 2]" 1
138 1 35 LYS QB 1 35 LYS QE . . 4.390 2.776 2.000 3.599 . 0 0 "[ . 1 . 2]" 1
139 1 35 LYS QD 1 53 LYS QB . . 3.820 3.584 2.459 4.316 0.496 17 0 "[ . 1 . 2]" 1
140 1 35 LYS QD 1 53 LYS QD . . 3.400 2.555 1.882 3.193 . 0 0 "[ . 1 . 2]" 1
141 1 35 LYS QD 1 53 LYS QG . . 4.420 4.067 3.575 4.217 . 0 0 "[ . 1 . 2]" 1
142 1 35 LYS QE 1 35 LYS HG2 . . 3.910 2.790 2.113 3.476 . 0 0 "[ . 1 . 2]" 1
143 1 35 LYS QE 1 35 LYS HG3 . . 3.910 2.683 2.076 3.456 . 0 0 "[ . 1 . 2]" 1
144 1 36 VAL H 1 36 VAL QG . . 3.590 2.369 2.174 2.633 . 0 0 "[ . 1 . 2]" 1
145 1 36 VAL HA 1 37 LEU H . . 3.430 2.190 2.142 2.231 . 0 0 "[ . 1 . 2]" 1
146 1 36 VAL HA 1 37 LEU QB . . 5.000 3.992 3.946 4.061 . 0 0 "[ . 1 . 2]" 1
147 1 36 VAL HA 1 38 LYS H . . 4.440 4.220 3.723 4.599 0.159 19 0 "[ . 1 . 2]" 1
148 1 36 VAL HA 1 53 LYS H . . 4.310 3.437 2.930 3.868 . 0 0 "[ . 1 . 2]" 1
149 1 36 VAL HB 1 37 LEU H . . 4.850 4.057 3.886 4.256 . 0 0 "[ . 1 . 2]" 1
150 1 36 VAL HB 1 77 LEU HB3 . . 4.210 4.097 3.550 4.435 0.225 16 0 "[ . 1 . 2]" 1
151 1 36 VAL HB 1 78 ILE HA . . 5.140 4.287 3.920 4.571 . 0 0 "[ . 1 . 2]" 1
152 1 36 VAL HB 1 81 TYR HA . . 4.460 4.420 4.187 4.690 0.230 17 0 "[ . 1 . 2]" 1
153 1 36 VAL HB 1 81 TYR QB . . 5.340 2.155 1.976 2.596 . 0 0 "[ . 1 . 2]" 1
154 1 36 VAL QG 1 37 LEU H . . 3.940 2.383 2.227 2.677 . 0 0 "[ . 1 . 2]" 1
155 1 36 VAL QG 1 37 LEU HA . . 4.610 3.835 3.670 4.048 . 0 0 "[ . 1 . 2]" 1
156 1 36 VAL QG 1 37 LEU QD . . 4.910 4.170 4.010 4.300 . 0 0 "[ . 1 . 2]" 1
157 1 36 VAL QG 1 38 LYS H . . 3.850 2.421 1.904 2.929 . 0 0 "[ . 1 . 2]" 1
158 1 36 VAL QG 1 50 TYR H . . 5.440 4.939 4.663 5.295 . 0 0 "[ . 1 . 2]" 1
159 1 36 VAL QG 1 50 TYR HA . . 4.900 3.389 3.121 3.808 . 0 0 "[ . 1 . 2]" 1
160 1 36 VAL QG 1 50 TYR QB . . 4.120 2.062 1.840 2.349 . 0 0 "[ . 1 . 2]" 1
161 1 36 VAL QG 1 50 TYR QD . . 3.800 2.693 2.417 2.940 . 0 0 "[ . 1 . 2]" 1
162 1 36 VAL QG 1 51 LEU H . . 4.570 2.773 2.309 3.189 . 0 0 "[ . 1 . 2]" 1
163 1 36 VAL QG 1 52 LEU HA . . 3.970 3.690 3.411 3.933 . 0 0 "[ . 1 . 2]" 1
164 1 36 VAL QG 1 77 LEU H . . 5.050 4.469 4.124 4.644 . 0 0 "[ . 1 . 2]" 1
165 1 36 VAL QG 1 77 LEU HA . . 4.700 3.577 3.245 3.851 . 0 0 "[ . 1 . 2]" 1
166 1 36 VAL QG 1 78 ILE H . . 4.140 3.317 3.086 3.514 . 0 0 "[ . 1 . 2]" 1
167 1 36 VAL QG 1 78 ILE HA . . 3.850 2.377 1.976 2.709 . 0 0 "[ . 1 . 2]" 1
168 1 36 VAL QG 1 78 ILE MG . . 3.610 3.609 3.308 3.905 0.295 17 0 "[ . 1 . 2]" 1
169 1 36 VAL QG 1 81 TYR H . . 4.370 3.748 3.434 4.204 . 0 0 "[ . 1 . 2]" 1
170 1 36 VAL QG 1 81 TYR HA . . 5.280 4.571 4.347 4.825 . 0 0 "[ . 1 . 2]" 1
171 1 36 VAL QG 1 81 TYR QB . . 3.880 2.638 2.401 2.967 . 0 0 "[ . 1 . 2]" 1
172 1 36 VAL MG1 1 50 TYR QD . . 5.010 2.761 2.459 3.052 . 0 0 "[ . 1 . 2]" 1
173 1 36 VAL MG1 1 52 LEU HA . . 5.140 4.235 3.920 4.533 . 0 0 "[ . 1 . 2]" 1
174 1 36 VAL MG1 1 78 ILE HA . . 4.710 3.886 3.507 4.190 . 0 0 "[ . 1 . 2]" 1
175 1 36 VAL MG1 1 81 TYR H . . 5.160 5.241 5.012 5.500 0.340 17 0 "[ . 1 . 2]" 1
176 1 36 VAL MG1 1 81 TYR HB2 . . 5.500 3.472 3.132 3.685 . 0 0 "[ . 1 . 2]" 1
177 1 36 VAL MG1 1 81 TYR HB3 . . 5.500 3.727 3.487 4.346 . 0 0 "[ . 1 . 2]" 1
178 1 36 VAL MG2 1 50 TYR QD . . 5.010 3.777 3.371 4.296 . 0 0 "[ . 1 . 2]" 1
179 1 36 VAL MG2 1 52 LEU HA . . 5.140 4.069 3.710 4.414 . 0 0 "[ . 1 . 2]" 1
180 1 36 VAL MG2 1 78 ILE HA . . 4.710 2.400 1.982 2.746 . 0 0 "[ . 1 . 2]" 1
181 1 36 VAL MG2 1 81 TYR H . . 5.160 3.842 3.487 4.363 . 0 0 "[ . 1 . 2]" 1
182 1 36 VAL MG2 1 81 TYR HB2 . . 5.500 2.979 2.605 3.357 . 0 0 "[ . 1 . 2]" 1
183 1 36 VAL MG2 1 81 TYR HB3 . . 5.500 3.526 3.188 4.340 . 0 0 "[ . 1 . 2]" 1
184 1 37 LEU H 1 37 LEU QB . . 3.330 2.245 2.084 2.339 . 0 0 "[ . 1 . 2]" 1
185 1 37 LEU H 1 37 LEU MD1 . . 4.840 4.214 3.973 4.287 . 0 0 "[ . 1 . 2]" 1
186 1 37 LEU H 1 37 LEU QD . . 4.150 3.517 3.303 3.637 . 0 0 "[ . 1 . 2]" 1
187 1 37 LEU H 1 37 LEU MD2 . . 4.840 3.787 3.439 4.150 . 0 0 "[ . 1 . 2]" 1
188 1 37 LEU H 1 38 LYS H . . 3.570 2.448 2.174 2.783 . 0 0 "[ . 1 . 2]" 1
189 1 37 LEU H 1 51 LEU QD . . 4.810 3.917 3.130 4.212 . 0 0 "[ . 1 . 2]" 1
190 1 37 LEU H 1 52 LEU HA . . 4.450 3.694 3.340 4.010 . 0 0 "[ . 1 . 2]" 1
191 1 37 LEU H 1 53 LYS H . . 4.650 4.018 3.291 4.600 . 0 0 "[ . 1 . 2]" 1
192 1 37 LEU H 1 53 LYS QB . . 5.060 3.647 2.672 4.839 . 0 0 "[ . 1 . 2]" 1
193 1 37 LEU HA 1 37 LEU MD1 . . 3.530 2.662 2.325 3.298 . 0 0 "[ . 1 . 2]" 1
194 1 37 LEU HA 1 37 LEU QD . . 3.090 1.964 1.893 2.057 . 0 0 "[ . 1 . 2]" 1
195 1 37 LEU HA 1 37 LEU MD2 . . 3.530 2.035 1.932 2.140 . 0 0 "[ . 1 . 2]" 1
196 1 37 LEU HA 1 53 LYS QG . . 4.740 4.233 2.863 5.678 0.938 19 3 "[ . 1 - * +2]" 1
197 1 37 LEU QB 1 38 LYS H . . 3.610 2.389 2.070 2.825 . 0 0 "[ . 1 . 2]" 1
198 1 37 LEU QB 1 51 LEU H . . 4.680 4.057 3.800 4.600 . 0 0 "[ . 1 . 2]" 1
199 1 37 LEU QB 1 51 LEU HA . . 5.500 4.301 4.130 4.602 . 0 0 "[ . 1 . 2]" 1
200 1 37 LEU QB 1 51 LEU QB . . 5.330 1.888 1.786 2.004 . 0 0 "[ . 1 . 2]" 1
201 1 37 LEU QB 1 51 LEU MD1 . . 4.600 2.860 1.958 4.105 . 0 0 "[ . 1 . 2]" 1
202 1 37 LEU QB 1 51 LEU QD . . 3.860 2.177 1.690 2.707 . 0 0 "[ . 1 . 2]" 1
203 1 37 LEU QB 1 51 LEU MD2 . . 4.600 2.730 1.809 3.833 . 0 0 "[ . 1 . 2]" 1
204 1 37 LEU QB 1 51 LEU HG . . 4.460 3.924 3.237 4.343 . 0 0 "[ . 1 . 2]" 1
205 1 37 LEU QD 1 38 LYS H . . 4.060 3.353 2.448 3.861 . 0 0 "[ . 1 . 2]" 1
206 1 37 LEU QD 1 38 LYS QB . . 3.040 2.603 1.908 3.154 0.114 19 0 "[ . 1 . 2]" 1
207 1 37 LEU QD 1 38 LYS QE . . 4.070 3.399 2.451 3.845 . 0 0 "[ . 1 . 2]" 1
208 1 37 LEU HG 1 51 LEU QB . . 5.340 3.675 3.304 4.131 . 0 0 "[ . 1 . 2]" 1
209 1 37 LEU HG 1 51 LEU QD . . 4.630 2.903 2.059 3.479 . 0 0 "[ . 1 . 2]" 1
210 1 37 LEU HG 1 63 ASN H . . 4.910 4.719 4.050 5.511 0.601 20 5 "[ . 1 *-** +]" 1
211 1 37 LEU HG 1 63 ASN HA . . 5.500 5.881 5.388 7.079 1.579 19 6 "[ . 1 ***-+*]" 1
212 1 37 LEU HG 1 63 ASN HB2 . . 5.050 3.218 2.622 4.396 . 0 0 "[ . 1 . 2]" 1
213 1 37 LEU HG 1 63 ASN QB . . 4.300 3.087 2.572 4.144 . 0 0 "[ . 1 . 2]" 1
214 1 37 LEU HG 1 63 ASN HB3 . . 5.050 4.062 3.697 5.072 0.022 19 0 "[ . 1 . 2]" 1
215 1 38 LYS H 1 50 TYR HA . . 5.110 4.485 4.113 5.121 0.011 11 0 "[ . 1 . 2]" 1
216 1 38 LYS H 1 51 LEU H . . 3.950 2.708 2.477 3.002 . 0 0 "[ . 1 . 2]" 1
217 1 38 LYS H 1 51 LEU HA . . 5.500 4.590 4.412 4.707 . 0 0 "[ . 1 . 2]" 1
218 1 38 LYS H 1 51 LEU QB . . 4.040 2.013 1.890 2.169 . 0 0 "[ . 1 . 2]" 1
219 1 38 LYS H 1 51 LEU QD . . 4.100 3.116 2.833 3.339 . 0 0 "[ . 1 . 2]" 1
220 1 38 LYS HA 1 38 LYS QG . . 3.700 2.288 2.070 3.338 . 0 0 "[ . 1 . 2]" 1
221 1 38 LYS HA 1 39 HIS H . . 3.320 2.440 2.301 2.580 . 0 0 "[ . 1 . 2]" 1
222 1 38 LYS QB 1 38 LYS QD . . 3.490 2.152 2.031 2.333 . 0 0 "[ . 1 . 2]" 1
223 1 38 LYS QB 1 38 LYS QG . . 2.230 2.063 2.000 2.086 . 0 0 "[ . 1 . 2]" 1
224 1 38 LYS QB 1 39 HIS H . . 3.820 2.483 2.122 3.067 . 0 0 "[ . 1 . 2]" 1
225 1 38 LYS QB 1 51 LEU H . . 4.870 4.094 3.816 4.511 . 0 0 "[ . 1 . 2]" 1
226 1 38 LYS QB 1 51 LEU QD . . 5.210 2.368 1.851 3.432 . 0 0 "[ . 1 . 2]" 1
227 1 38 LYS QE 1 38 LYS HG2 . . 3.640 2.875 2.276 3.398 . 0 0 "[ . 1 . 2]" 1
228 1 38 LYS QE 1 38 LYS HG3 . . 3.640 2.303 2.014 2.605 . 0 0 "[ . 1 . 2]" 1
229 1 39 HIS H 1 40 ARG H . . 5.310 4.444 4.342 4.498 . 0 0 "[ . 1 . 2]" 1
230 1 39 HIS H 1 50 TYR HA . . 5.340 4.947 4.636 5.280 . 0 0 "[ . 1 . 2]" 1
231 1 39 HIS H 1 50 TYR QD . . 5.390 4.966 4.575 5.153 . 0 0 "[ . 1 . 2]" 1
232 1 39 HIS H 1 51 LEU H . . 5.120 5.006 4.778 5.129 0.009 9 0 "[ . 1 . 2]" 1
233 1 39 HIS HA 1 50 TYR HA . . 4.410 2.383 1.998 2.629 . 0 0 "[ . 1 . 2]" 1
234 1 39 HIS HA 1 50 TYR QD . . 4.400 3.046 2.800 3.209 . 0 0 "[ . 1 . 2]" 1
235 1 39 HIS HA 1 51 LEU H . . 4.540 3.563 3.213 3.830 . 0 0 "[ . 1 . 2]" 1
236 1 39 HIS QB 1 40 ARG H . . 3.730 3.316 2.497 3.622 . 0 0 "[ . 1 . 2]" 1
237 1 39 HIS QB 1 50 TYR HA . . 5.340 3.867 3.273 4.213 . 0 0 "[ . 1 . 2]" 1
238 1 39 HIS QB 1 50 TYR QD . . 4.730 2.342 1.923 2.647 . 0 0 "[ . 1 . 2]" 1
239 1 39 HIS QB 1 50 TYR QE . . 3.780 2.970 2.473 3.349 . 0 0 "[ . 1 . 2]" 1
240 1 39 HIS HB2 1 40 ARG H . . 4.430 3.586 2.526 4.014 . 0 0 "[ . 1 . 2]" 1
241 1 39 HIS HB3 1 40 ARG H . . 4.430 4.095 3.900 4.188 . 0 0 "[ . 1 . 2]" 1
242 1 39 HIS HE1 1 40 ARG H . . 5.500 4.626 3.751 5.527 0.027 10 0 "[ . 1 . 2]" 1
243 1 40 ARG H 1 40 ARG QG . . 4.290 3.808 2.309 4.296 0.006 14 0 "[ . 1 . 2]" 1
244 1 40 ARG H 1 50 TYR HA . . 4.170 3.433 2.713 3.807 . 0 0 "[ . 1 . 2]" 1
245 1 40 ARG H 1 50 TYR QD . . 4.460 4.351 3.956 4.473 0.013 4 0 "[ . 1 . 2]" 1
246 1 40 ARG H 1 51 LEU H . . 5.460 5.085 4.786 5.211 . 0 0 "[ . 1 . 2]" 1
247 1 40 ARG HA 1 40 ARG QD . . 4.970 2.735 1.980 4.431 . 0 0 "[ . 1 . 2]" 1
248 1 40 ARG HA 1 41 MET H . . 3.450 2.307 2.190 2.488 . 0 0 "[ . 1 . 2]" 1
249 1 40 ARG QB 1 41 MET H . . 3.560 2.988 2.293 3.563 0.003 2 0 "[ . 1 . 2]" 1
250 1 40 ARG HB2 1 41 MET H . . 4.320 3.918 2.688 4.312 . 0 0 "[ . 1 . 2]" 1
251 1 40 ARG HB3 1 41 MET H . . 4.320 3.254 2.314 4.071 . 0 0 "[ . 1 . 2]" 1
252 1 40 ARG QG 1 41 MET H . . 4.290 3.208 1.941 4.187 . 0 0 "[ . 1 . 2]" 1
253 1 41 MET H 1 41 MET QB . . 3.230 2.517 2.248 2.938 . 0 0 "[ . 1 . 2]" 1
254 1 41 MET H 1 41 MET QG . . 4.410 3.058 1.936 4.033 . 0 0 "[ . 1 . 2]" 1
255 1 41 MET HA 1 41 MET ME . . 4.070 3.952 3.443 4.070 0.000 6 0 "[ . 1 . 2]" 1
256 1 41 MET HA 1 42 ALA H . . 3.220 2.221 2.141 2.347 . 0 0 "[ . 1 . 2]" 1
257 1 41 MET HA 1 42 ALA HA . . 5.240 4.343 4.300 4.417 . 0 0 "[ . 1 . 2]" 1
258 1 41 MET HA 1 42 ALA MB . . 4.520 4.006 3.927 4.070 . 0 0 "[ . 1 . 2]" 1
259 1 41 MET HA 1 48 TYR HA . . 4.080 2.637 2.075 3.298 . 0 0 "[ . 1 . 2]" 1
260 1 41 MET HA 1 48 TYR QD . . 4.270 2.480 2.004 2.885 . 0 0 "[ . 1 . 2]" 1
261 1 41 MET HA 1 48 TYR QE . . 4.080 3.875 3.328 4.081 0.001 9 0 "[ . 1 . 2]" 1
262 1 41 MET HA 1 49 GLU H . . 4.400 3.309 2.474 3.743 . 0 0 "[ . 1 . 2]" 1
263 1 41 MET QB 1 42 ALA H . . 4.230 3.285 2.584 3.915 . 0 0 "[ . 1 . 2]" 1
264 1 41 MET QB 1 48 TYR HA . . 5.340 4.284 3.089 5.049 . 0 0 "[ . 1 . 2]" 1
265 1 41 MET QB 1 48 TYR QE . . 3.940 3.009 1.971 3.937 . 0 0 "[ . 1 . 2]" 1
266 1 41 MET ME 1 48 TYR HA . . 5.500 5.069 4.418 5.499 . 0 0 "[ . 1 . 2]" 1
267 1 41 MET ME 1 48 TYR QE . . 3.920 2.473 2.030 3.506 . 0 0 "[ . 1 . 2]" 1
268 1 41 MET QG 1 48 TYR QE . . 4.360 3.497 2.396 4.113 . 0 0 "[ . 1 . 2]" 1
269 1 42 ALA H 1 42 ALA MB . . 3.160 2.154 2.034 2.244 . 0 0 "[ . 1 . 2]" 1
270 1 42 ALA H 1 48 TYR HA . . 3.790 2.864 2.006 3.390 . 0 0 "[ . 1 . 2]" 1
271 1 42 ALA H 1 48 TYR QD . . 4.860 3.923 3.303 4.617 . 0 0 "[ . 1 . 2]" 1
272 1 42 ALA H 1 49 GLU H . . 4.850 4.138 3.521 4.744 . 0 0 "[ . 1 . 2]" 1
273 1 42 ALA HA 1 43 ARG H . . 3.240 2.181 2.142 2.308 . 0 0 "[ . 1 . 2]" 1
274 1 42 ALA HA 1 43 ARG QB . . 4.980 4.338 4.028 4.625 . 0 0 "[ . 1 . 2]" 1
275 1 42 ALA HA 1 44 LYS H . . 4.040 3.806 3.494 4.084 0.044 16 0 "[ . 1 . 2]" 1
276 1 42 ALA HA 1 49 GLU QG . . 4.110 3.487 2.012 4.109 . 0 0 "[ . 1 . 2]" 1
277 1 42 ALA MB 1 43 ARG H . . 3.810 3.064 2.634 3.381 . 0 0 "[ . 1 . 2]" 1
278 1 42 ALA MB 1 44 LYS H . . 3.730 2.943 2.441 3.725 . 0 0 "[ . 1 . 2]" 1
279 1 42 ALA MB 1 44 LYS QB . . 5.340 3.433 2.894 4.613 . 0 0 "[ . 1 . 2]" 1
280 1 42 ALA MB 1 46 GLY H . . 4.270 2.278 1.901 3.057 . 0 0 "[ . 1 . 2]" 1
281 1 42 ALA MB 1 47 GLY H . . 3.930 2.281 1.877 3.110 . 0 0 "[ . 1 . 2]" 1
282 1 42 ALA MB 1 48 TYR HA . . 5.300 3.682 2.750 4.497 . 0 0 "[ . 1 . 2]" 1
283 1 42 ALA MB 1 49 GLU QB . . 5.340 4.313 3.086 5.207 . 0 0 "[ . 1 . 2]" 1
284 1 42 ALA MB 1 49 GLU QG . . 3.720 3.180 1.922 3.721 0.001 18 0 "[ . 1 . 2]" 1
285 1 43 ARG H 1 43 ARG QB . . 3.340 2.434 2.156 2.642 . 0 0 "[ . 1 . 2]" 1
286 1 43 ARG H 1 44 LYS H . . 3.950 2.475 2.330 2.687 . 0 0 "[ . 1 . 2]" 1
287 1 43 ARG HA 1 43 ARG QD . . 4.430 3.621 2.091 4.422 . 0 0 "[ . 1 . 2]" 1
288 1 43 ARG HA 1 43 ARG HG2 . . 3.940 3.179 2.260 3.856 . 0 0 "[ . 1 . 2]" 1
289 1 43 ARG HA 1 43 ARG QG . . 3.430 2.869 2.193 3.344 . 0 0 "[ . 1 . 2]" 1
290 1 43 ARG HA 1 43 ARG HG3 . . 3.940 3.443 2.368 3.934 . 0 0 "[ . 1 . 2]" 1
291 1 43 ARG QB 1 43 ARG QD . . 3.410 2.259 2.029 2.615 . 0 0 "[ . 1 . 2]" 1
292 1 43 ARG QB 1 44 LYS H . . 3.920 3.100 2.548 3.618 . 0 0 "[ . 1 . 2]" 1
293 1 44 LYS H 1 46 GLY H . . 4.530 3.892 3.180 4.507 . 0 0 "[ . 1 . 2]" 1
294 1 44 LYS HA 1 44 LYS QD . . 3.860 2.944 2.028 3.828 . 0 0 "[ . 1 . 2]" 1
295 1 44 LYS HA 1 44 LYS QE . . 4.650 3.736 1.993 4.637 . 0 0 "[ . 1 . 2]" 1
296 1 44 LYS HA 1 44 LYS QG . . 3.670 2.396 2.064 2.979 . 0 0 "[ . 1 . 2]" 1
297 1 44 LYS QB 1 44 LYS QE . . 4.490 2.889 1.967 3.772 . 0 0 "[ . 1 . 2]" 1
298 1 44 LYS HB2 1 44 LYS QE . . 5.110 3.326 1.983 4.289 . 0 0 "[ . 1 . 2]" 1
299 1 44 LYS HB3 1 44 LYS QE . . 5.110 3.506 2.122 4.472 . 0 0 "[ . 1 . 2]" 1
300 1 47 GLY H 1 48 TYR H . . 4.270 3.957 3.469 4.261 . 0 0 "[ . 1 . 2]" 1
301 1 47 GLY HA2 1 48 TYR H . . 3.380 3.120 2.307 3.380 0.000 18 0 "[ . 1 . 2]" 1
302 1 47 GLY HA3 1 48 TYR H . . 3.380 2.231 2.136 2.858 . 0 0 "[ . 1 . 2]" 1
303 1 48 TYR H 1 48 TYR QB . . 3.330 2.574 2.370 2.787 . 0 0 "[ . 1 . 2]" 1
304 1 48 TYR H 1 48 TYR QD . . 4.000 3.654 3.020 3.970 . 0 0 "[ . 1 . 2]" 1
305 1 48 TYR H 1 68 GLU QB . . 4.460 2.975 2.019 4.694 0.234 18 0 "[ . 1 . 2]" 1
306 1 48 TYR HA 1 48 TYR QD . . 4.080 2.329 1.997 3.019 . 0 0 "[ . 1 . 2]" 1
307 1 48 TYR HA 1 48 TYR QE . . 4.910 4.353 4.232 4.589 . 0 0 "[ . 1 . 2]" 1
308 1 48 TYR HA 1 49 GLU H . . 3.360 2.331 2.187 2.485 . 0 0 "[ . 1 . 2]" 1
309 1 48 TYR QD 1 49 GLU H . . 4.470 3.358 2.758 3.593 . 0 0 "[ . 1 . 2]" 1
310 1 49 GLU H 1 49 GLU QG . . 4.060 2.789 2.185 3.480 . 0 0 "[ . 1 . 2]" 1
311 1 49 GLU H 1 50 TYR QD . . 4.880 4.618 4.317 4.879 . 0 0 "[ . 1 . 2]" 1
312 1 49 GLU QB 1 50 TYR H . . 3.790 2.810 2.030 3.057 . 0 0 "[ . 1 . 2]" 1
313 1 49 GLU QB 1 66 SER H . . 4.940 4.231 3.503 4.722 . 0 0 "[ . 1 . 2]" 1
314 1 49 GLU HB2 1 50 TYR H . . 4.370 3.611 2.045 4.229 . 0 0 "[ . 1 . 2]" 1
315 1 49 GLU HB3 1 50 TYR H . . 4.370 3.197 2.681 4.084 . 0 0 "[ . 1 . 2]" 1
316 1 50 TYR H 1 50 TYR QB . . 3.660 2.808 2.520 2.904 . 0 0 "[ . 1 . 2]" 1
317 1 50 TYR H 1 50 TYR QD . . 3.930 2.781 2.431 3.254 . 0 0 "[ . 1 . 2]" 1
318 1 50 TYR H 1 51 LEU H . . 5.110 4.329 4.195 4.471 . 0 0 "[ . 1 . 2]" 1
319 1 50 TYR H 1 66 SER H . . 3.830 3.272 2.842 3.638 . 0 0 "[ . 1 . 2]" 1
320 1 50 TYR HA 1 50 TYR QD . . 4.290 3.035 2.813 3.104 . 0 0 "[ . 1 . 2]" 1
321 1 50 TYR QB 1 51 LEU H . . 4.090 2.917 2.077 3.165 . 0 0 "[ . 1 . 2]" 1
322 1 50 TYR QB 1 51 LEU HA . . 5.340 4.423 4.108 4.476 . 0 0 "[ . 1 . 2]" 1
323 1 50 TYR QB 1 52 LEU QD . . 4.180 3.546 3.220 4.159 . 0 0 "[ . 1 . 2]" 1
324 1 50 TYR QB 1 78 ILE MD . . 3.680 2.609 2.212 3.185 . 0 0 "[ . 1 . 2]" 1
325 1 50 TYR QB 1 78 ILE MG . . 4.310 4.339 3.914 5.083 0.773 20 3 "[ . 1 . *- +]" 1
326 1 50 TYR HB2 1 51 LEU H . . 4.780 3.877 3.266 4.157 . 0 0 "[ . 1 . 2]" 1
327 1 50 TYR HB2 1 78 ILE MD . . 4.250 2.843 2.392 3.528 . 0 0 "[ . 1 . 2]" 1
328 1 50 TYR HB3 1 51 LEU H . . 4.780 3.021 2.101 3.297 . 0 0 "[ . 1 . 2]" 1
329 1 50 TYR HB3 1 78 ILE MD . . 4.250 3.062 2.603 3.762 . 0 0 "[ . 1 . 2]" 1
330 1 50 TYR QD 1 51 LEU H . . 4.690 4.325 3.711 4.449 . 0 0 "[ . 1 . 2]" 1
331 1 50 TYR QD 1 66 SER H . . 5.500 5.319 4.891 5.388 . 0 0 "[ . 1 . 2]" 1
332 1 50 TYR QD 1 68 GLU HA . . 4.890 3.340 2.405 4.445 . 0 0 "[ . 1 . 2]" 1
333 1 50 TYR QD 1 78 ILE MD . . 4.280 2.797 2.491 3.344 . 0 0 "[ . 1 . 2]" 1
334 1 50 TYR QE 1 68 GLU HA . . 3.840 2.876 1.997 3.828 . 0 0 "[ . 1 . 2]" 1
335 1 50 TYR QE 1 68 GLU HB2 . . 5.500 3.874 2.124 5.293 . 0 0 "[ . 1 . 2]" 1
336 1 50 TYR QE 1 68 GLU QB . . 4.630 3.550 2.112 4.542 . 0 0 "[ . 1 . 2]" 1
337 1 50 TYR QE 1 68 GLU HB3 . . 5.500 4.646 2.620 5.295 . 0 0 "[ . 1 . 2]" 1
338 1 50 TYR QE 1 68 GLU QG . . 4.360 3.708 2.451 5.758 1.398 19 1 "[ . 1 . +2]" 1
339 1 50 TYR QE 1 78 ILE MD . . 4.150 3.370 2.972 3.724 . 0 0 "[ . 1 . 2]" 1
340 1 50 TYR QE 1 78 ILE MG . . 4.020 3.065 2.527 3.874 . 0 0 "[ . 1 . 2]" 1
341 1 50 TYR QE 1 82 TRP HE1 . . 4.130 2.644 1.998 3.866 . 0 0 "[ . 1 . 2]" 1
342 1 51 LEU H 1 51 LEU QB . . 3.690 2.223 2.116 2.418 . 0 0 "[ . 1 . 2]" 1
343 1 51 LEU H 1 51 LEU MD1 . . 5.040 3.609 3.093 4.356 . 0 0 "[ . 1 . 2]" 1
344 1 51 LEU H 1 51 LEU MD2 . . 5.040 4.281 3.867 4.392 . 0 0 "[ . 1 . 2]" 1
345 1 51 LEU H 1 51 LEU HG . . 4.610 3.711 2.978 4.520 . 0 0 "[ . 1 . 2]" 1
346 1 51 LEU HA 1 51 LEU QD . . 3.630 2.569 2.084 2.725 . 0 0 "[ . 1 . 2]" 1
347 1 51 LEU HA 1 52 LEU H . . 3.460 2.195 2.157 2.220 . 0 0 "[ . 1 . 2]" 1
348 1 51 LEU HA 1 52 LEU HG . . 5.500 3.611 3.402 3.975 . 0 0 "[ . 1 . 2]" 1
349 1 51 LEU HA 1 64 THR MG . . 5.500 4.639 3.824 5.533 0.033 18 0 "[ . 1 . 2]" 1
350 1 51 LEU HA 1 65 TRP HA . . 4.150 2.223 1.993 2.449 . 0 0 "[ . 1 . 2]" 1
351 1 51 LEU HA 1 66 SER H . . 4.120 2.854 2.597 3.506 . 0 0 "[ . 1 . 2]" 1
352 1 51 LEU QD 1 52 LEU H . . 3.780 3.052 2.287 3.516 . 0 0 "[ . 1 . 2]" 1
353 1 51 LEU QD 1 61 SER QB . . 4.640 3.696 3.199 4.407 . 0 0 "[ . 1 . 2]" 1
354 1 51 LEU QD 1 63 ASN H . . 4.580 2.584 2.010 3.175 . 0 0 "[ . 1 . 2]" 1
355 1 51 LEU QD 1 63 ASN HA . . 4.570 3.584 3.338 3.884 . 0 0 "[ . 1 . 2]" 1
356 1 51 LEU QD 1 63 ASN QB . . 3.390 1.781 1.715 1.853 . 0 0 "[ . 1 . 2]" 1
357 1 51 LEU QD 1 64 THR H . . 3.980 3.062 2.632 3.893 . 0 0 "[ . 1 . 2]" 1
358 1 51 LEU QD 1 64 THR HA . . 4.610 3.593 3.251 4.351 . 0 0 "[ . 1 . 2]" 1
359 1 51 LEU QD 1 64 THR HB . . 5.440 4.573 3.820 5.460 0.020 19 0 "[ . 1 . 2]" 1
360 1 51 LEU QD 1 64 THR MG . . 4.630 3.822 3.143 4.598 . 0 0 "[ . 1 . 2]" 1
361 1 51 LEU QD 1 65 TRP H . . 4.700 3.525 2.899 4.472 . 0 0 "[ . 1 . 2]" 1
362 1 51 LEU QD 1 65 TRP HA . . 4.220 2.804 2.103 3.476 . 0 0 "[ . 1 . 2]" 1
363 1 51 LEU QD 1 65 TRP HD1 . . 4.010 2.920 1.964 3.972 . 0 0 "[ . 1 . 2]" 1
364 1 51 LEU QD 1 65 TRP HE1 . . 3.650 2.795 2.143 3.371 . 0 0 "[ . 1 . 2]" 1
365 1 51 LEU QD 1 66 SER H . . 5.010 4.289 3.776 4.915 . 0 0 "[ . 1 . 2]" 1
366 1 51 LEU MD1 1 61 SER QB . . 5.330 3.986 3.237 5.110 . 0 0 "[ . 1 . 2]" 1
367 1 51 LEU MD1 1 63 ASN HA . . 5.500 5.014 3.818 5.535 0.035 13 0 "[ . 1 . 2]" 1
368 1 51 LEU MD1 1 63 ASN HB2 . . 5.500 3.473 2.092 3.827 . 0 0 "[ . 1 . 2]" 1
369 1 51 LEU MD1 1 63 ASN HB3 . . 5.500 3.484 2.045 4.138 . 0 0 "[ . 1 . 2]" 1
370 1 51 LEU MD1 1 64 THR H . . 5.500 4.876 3.383 5.511 0.011 11 0 "[ . 1 . 2]" 1
371 1 51 LEU MD1 1 65 TRP HE1 . . 4.760 3.426 2.148 4.281 . 0 0 "[ . 1 . 2]" 1
372 1 51 LEU MD2 1 61 SER QB . . 5.330 4.646 3.922 5.121 . 0 0 "[ . 1 . 2]" 1
373 1 51 LEU MD2 1 63 ASN HA . . 5.500 3.782 3.476 4.315 . 0 0 "[ . 1 . 2]" 1
374 1 51 LEU MD2 1 63 ASN HB2 . . 5.500 2.214 1.908 2.867 . 0 0 "[ . 1 . 2]" 1
375 1 51 LEU MD2 1 63 ASN HB3 . . 5.500 1.982 1.862 2.571 . 0 0 "[ . 1 . 2]" 1
376 1 51 LEU MD2 1 64 THR H . . 5.500 3.309 2.658 4.541 . 0 0 "[ . 1 . 2]" 1
377 1 51 LEU MD2 1 65 TRP HE1 . . 4.760 3.480 2.761 4.505 . 0 0 "[ . 1 . 2]" 1
378 1 51 LEU HG 1 63 ASN QB . . 5.340 3.579 2.148 4.256 . 0 0 "[ . 1 . 2]" 1
379 1 51 LEU HG 1 64 THR H . . 5.500 5.047 3.775 5.619 0.119 14 0 "[ . 1 . 2]" 1
380 1 51 LEU HG 1 65 TRP HA . . 5.240 3.029 2.426 3.794 . 0 0 "[ . 1 . 2]" 1
381 1 51 LEU HG 1 65 TRP QB . . 4.640 4.212 3.420 5.360 0.720 16 6 "[ . 1 *+**-*]" 1
382 1 52 LEU H 1 52 LEU HB2 . . 4.120 2.593 2.384 2.711 . 0 0 "[ . 1 . 2]" 1
383 1 52 LEU H 1 52 LEU QB . . 3.570 2.541 2.353 2.645 . 0 0 "[ . 1 . 2]" 1
384 1 52 LEU H 1 52 LEU HB3 . . 4.120 3.659 3.611 3.696 . 0 0 "[ . 1 . 2]" 1
385 1 52 LEU H 1 52 LEU HG . . 3.890 2.385 2.181 2.832 . 0 0 "[ . 1 . 2]" 1
386 1 52 LEU H 1 53 LYS H . . 4.860 4.499 4.258 4.582 . 0 0 "[ . 1 . 2]" 1
387 1 52 LEU H 1 64 THR H . . 4.480 4.091 3.483 4.579 0.099 16 0 "[ . 1 . 2]" 1
388 1 52 LEU H 1 65 TRP HA . . 4.420 3.450 2.925 3.933 . 0 0 "[ . 1 . 2]" 1
389 1 52 LEU H 1 66 SER H . . 4.540 3.827 3.519 4.249 . 0 0 "[ . 1 . 2]" 1
390 1 52 LEU HA 1 52 LEU QD . . 3.520 2.235 1.942 2.495 . 0 0 "[ . 1 . 2]" 1
391 1 52 LEU HA 1 53 LYS H . . 2.980 2.186 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
392 1 52 LEU QD 1 54 TRP HE1 . . 5.500 5.557 5.333 6.298 0.798 15 4 "[ . 1 +* -*]" 1
393 1 52 LEU QD 1 64 THR H . . 5.500 5.070 4.636 5.676 0.176 16 0 "[ . 1 . 2]" 1
394 1 52 LEU QD 1 64 THR HB . . 5.260 3.943 2.925 5.258 . 0 0 "[ . 1 . 2]" 1
395 1 52 LEU QD 1 66 SER H . . 4.760 3.628 3.194 4.367 . 0 0 "[ . 1 . 2]" 1
396 1 52 LEU QD 1 66 SER HA . . 5.150 3.621 3.346 3.993 . 0 0 "[ . 1 . 2]" 1
397 1 52 LEU QD 1 66 SER HB2 . . 3.970 2.277 1.847 2.830 . 0 0 "[ . 1 . 2]" 1
398 1 52 LEU QD 1 66 SER QB . . 3.480 1.896 1.732 2.286 . 0 0 "[ . 1 . 2]" 1
399 1 52 LEU QD 1 66 SER HB3 . . 3.970 2.156 1.876 2.837 . 0 0 "[ . 1 . 2]" 1
400 1 52 LEU QD 1 74 CYS QB . . 4.110 3.469 3.064 3.853 . 0 0 "[ . 1 . 2]" 1
401 1 52 LEU HG 1 64 THR H . . 5.500 5.723 5.298 6.540 1.040 20 6 "[ . 1 **-**+]" 1
402 1 52 LEU HG 1 66 SER H . . 4.520 3.373 2.982 4.062 . 0 0 "[ . 1 . 2]" 1
403 1 52 LEU HG 1 66 SER HB2 . . 4.820 3.114 2.070 3.803 . 0 0 "[ . 1 . 2]" 1
404 1 52 LEU HG 1 66 SER HB3 . . 4.820 2.356 1.992 4.203 . 0 0 "[ . 1 . 2]" 1
405 1 53 LYS H 1 53 LYS QB . . 3.340 2.407 2.277 2.530 . 0 0 "[ . 1 . 2]" 1
406 1 53 LYS H 1 54 TRP H . . 5.290 4.439 4.298 4.548 . 0 0 "[ . 1 . 2]" 1
407 1 53 LYS QB 1 53 LYS QD . . 2.860 2.113 1.972 2.338 . 0 0 "[ . 1 . 2]" 1
408 1 53 LYS QB 1 54 TRP H . . 4.290 3.573 2.787 3.838 . 0 0 "[ . 1 . 2]" 1
409 1 53 LYS HB2 1 53 LYS QD . . 3.630 2.520 2.021 3.215 . 0 0 "[ . 1 . 2]" 1
410 1 53 LYS HB3 1 53 LYS QD . . 3.630 2.409 2.014 2.817 . 0 0 "[ . 1 . 2]" 1
411 1 53 LYS QG 1 54 TRP H . . 5.070 2.861 2.148 4.187 . 0 0 "[ . 1 . 2]" 1
412 1 54 TRP H 1 54 TRP HD1 . . 4.200 3.069 2.769 3.362 . 0 0 "[ . 1 . 2]" 1
413 1 54 TRP H 1 54 TRP HE1 . . 4.970 4.861 4.636 5.192 0.222 19 0 "[ . 1 . 2]" 1
414 1 54 TRP H 1 55 GLU HA . . 5.500 5.391 5.193 5.511 0.011 5 0 "[ . 1 . 2]" 1
415 1 54 TRP H 1 57 TYR QD . . 5.500 5.296 4.976 5.507 0.007 13 0 "[ . 1 . 2]" 1
416 1 54 TRP HA 1 54 TRP HD1 . . 4.550 4.516 4.384 4.602 0.052 20 0 "[ . 1 . 2]" 1
417 1 54 TRP HA 1 54 TRP HE3 . . 3.970 2.482 2.179 2.776 . 0 0 "[ . 1 . 2]" 1
418 1 54 TRP HA 1 55 GLU H . . 3.370 2.181 2.143 2.230 . 0 0 "[ . 1 . 2]" 1
419 1 54 TRP HA 1 57 TYR QD . . 5.500 4.635 4.219 5.198 . 0 0 "[ . 1 . 2]" 1
420 1 54 TRP QB 1 55 GLU H . . 4.410 3.047 2.851 3.311 . 0 0 "[ . 1 . 2]" 1
421 1 54 TRP QB 1 57 TYR QB . . 5.180 1.998 1.925 2.268 . 0 0 "[ . 1 . 2]" 1
422 1 54 TRP QB 1 57 TYR QD . . 4.280 2.298 1.998 2.685 . 0 0 "[ . 1 . 2]" 1
423 1 54 TRP QB 1 57 TYR QE . . 4.710 4.091 3.738 4.601 . 0 0 "[ . 1 . 2]" 1
424 1 54 TRP HD1 1 63 ASN HA . . 5.500 5.487 5.196 5.542 0.042 12 0 "[ . 1 . 2]" 1
425 1 54 TRP HE1 1 63 ASN HA . . 5.450 4.989 4.243 5.172 . 0 0 "[ . 1 . 2]" 1
426 1 54 TRP HE1 1 64 THR H . . 4.050 3.942 3.628 4.056 0.006 7 0 "[ . 1 . 2]" 1
427 1 54 TRP HE1 1 64 THR HB . . 4.220 4.078 3.679 4.229 0.009 14 0 "[ . 1 . 2]" 1
428 1 54 TRP HE1 1 64 THR MG . . 4.320 3.601 2.759 4.343 0.023 18 0 "[ . 1 . 2]" 1
429 1 54 TRP HE3 1 55 GLU H . . 4.370 3.464 3.039 3.758 . 0 0 "[ . 1 . 2]" 1
430 1 54 TRP HZ2 1 64 THR HB . . 4.230 3.870 3.298 4.233 0.003 18 0 "[ . 1 . 2]" 1
431 1 54 TRP HZ2 1 64 THR MG . . 3.890 2.964 2.380 3.713 . 0 0 "[ . 1 . 2]" 1
432 1 55 GLU H 1 55 GLU QB . . 3.280 2.360 2.124 2.656 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLU HA 1 56 GLY H . . 3.160 2.146 2.142 2.159 . 0 0 "[ . 1 . 2]" 1
434 1 55 GLU HA 1 57 TYR H . . 3.960 3.743 3.699 3.780 . 0 0 "[ . 1 . 2]" 1
435 1 55 GLU QB 1 56 GLY H . . 4.110 3.576 3.205 3.839 . 0 0 "[ . 1 . 2]" 1
436 1 55 GLU QB 1 56 GLY QA . . 5.180 4.097 3.780 4.352 . 0 0 "[ . 1 . 2]" 1
437 1 56 GLY H 1 57 TYR H . . 3.600 2.977 2.947 3.008 . 0 0 "[ . 1 . 2]" 1
438 1 56 GLY QA 1 57 TYR QD . . 5.340 4.064 3.717 4.376 . 0 0 "[ . 1 . 2]" 1
439 1 57 TYR H 1 57 TYR QD . . 3.770 2.879 2.277 3.389 . 0 0 "[ . 1 . 2]" 1
440 1 57 TYR HA 1 57 TYR QD . . 4.380 2.628 2.228 3.063 . 0 0 "[ . 1 . 2]" 1
441 1 57 TYR HA 1 58 ASP H . . 3.240 2.143 2.142 2.151 . 0 0 "[ . 1 . 2]" 1
442 1 58 ASP H 1 58 ASP HB2 . . 3.860 3.070 2.305 3.681 . 0 0 "[ . 1 . 2]" 1
443 1 58 ASP H 1 58 ASP QB . . 3.280 2.654 2.278 3.007 . 0 0 "[ . 1 . 2]" 1
444 1 58 ASP H 1 58 ASP HB3 . . 3.860 3.182 2.402 3.749 . 0 0 "[ . 1 . 2]" 1
445 1 58 ASP H 1 59 ASP H . . 4.040 4.060 4.020 4.116 0.076 20 0 "[ . 1 . 2]" 1
446 1 59 ASP H 1 59 ASP HB2 . . 3.630 2.172 2.157 2.209 . 0 0 "[ . 1 . 2]" 1
447 1 59 ASP H 1 59 ASP QB . . 3.030 2.147 2.130 2.186 . 0 0 "[ . 1 . 2]" 1
448 1 59 ASP H 1 59 ASP HB3 . . 3.630 3.378 3.298 3.491 . 0 0 "[ . 1 . 2]" 1
449 1 59 ASP HA 1 60 PRO HD2 . . 3.860 2.482 2.467 2.494 . 0 0 "[ . 1 . 2]" 1
450 1 59 ASP HA 1 60 PRO HD3 . . 3.860 2.333 2.326 2.339 . 0 0 "[ . 1 . 2]" 1
451 1 59 ASP QB 1 60 PRO QD . . 4.280 2.247 2.075 2.368 . 0 0 "[ . 1 . 2]" 1
452 1 59 ASP HB2 1 60 PRO HD2 . . 5.500 3.686 3.647 3.714 . 0 0 "[ . 1 . 2]" 1
453 1 59 ASP HB2 1 60 PRO HD3 . . 5.500 4.727 4.712 4.744 . 0 0 "[ . 1 . 2]" 1
454 1 59 ASP HB3 1 60 PRO HD2 . . 5.500 2.294 2.105 2.430 . 0 0 "[ . 1 . 2]" 1
455 1 59 ASP HB3 1 60 PRO HD3 . . 5.500 3.685 3.535 3.792 . 0 0 "[ . 1 . 2]" 1
456 1 60 PRO HA 1 61 SER H . . 3.490 2.701 2.657 2.715 . 0 0 "[ . 1 . 2]" 1
457 1 60 PRO QB 1 61 SER H . . 4.080 1.928 1.901 2.011 . 0 0 "[ . 1 . 2]" 1
458 1 60 PRO HG2 1 61 SER H . . 3.800 3.827 3.798 3.918 0.118 20 0 "[ . 1 . 2]" 1
459 1 61 SER H 1 61 SER QB . . 3.230 2.613 2.142 2.895 . 0 0 "[ . 1 . 2]" 1
460 1 61 SER H 1 62 ASP H . . 3.460 2.577 2.498 2.621 . 0 0 "[ . 1 . 2]" 1
461 1 61 SER H 1 63 ASN H . . 4.530 4.443 4.381 4.488 . 0 0 "[ . 1 . 2]" 1
462 1 61 SER QB 1 63 ASN H . . 4.950 4.457 4.394 4.564 . 0 0 "[ . 1 . 2]" 1
463 1 61 SER QB 1 65 TRP HE1 . . 5.380 5.344 5.055 5.392 0.012 15 0 "[ . 1 . 2]" 1
464 1 62 ASP H 1 62 ASP QB . . 3.230 2.365 2.212 2.663 . 0 0 "[ . 1 . 2]" 1
465 1 62 ASP H 1 63 ASN H . . 3.300 2.652 2.571 2.691 . 0 0 "[ . 1 . 2]" 1
466 1 62 ASP HA 1 65 TRP HD1 . . 5.290 5.082 4.787 5.316 0.026 19 0 "[ . 1 . 2]" 1
467 1 62 ASP HA 1 65 TRP HE1 . . 3.820 3.025 2.507 3.587 . 0 0 "[ . 1 . 2]" 1
468 1 62 ASP QB 1 63 ASN H . . 4.000 3.652 3.618 3.987 . 0 0 "[ . 1 . 2]" 1
469 1 63 ASN H 1 64 THR H . . 4.700 4.521 4.445 4.607 . 0 0 "[ . 1 . 2]" 1
470 1 63 ASN HA 1 64 THR H . . 3.490 2.688 2.538 2.798 . 0 0 "[ . 1 . 2]" 1
471 1 63 ASN HA 1 64 THR MG . . 5.500 4.760 4.220 5.384 . 0 0 "[ . 1 . 2]" 1
472 1 63 ASN QB 1 64 THR H . . 4.030 2.222 2.078 2.588 . 0 0 "[ . 1 . 2]" 1
473 1 64 THR H 1 64 THR HB . . 4.150 2.769 2.559 2.922 . 0 0 "[ . 1 . 2]" 1
474 1 64 THR H 1 64 THR MG . . 3.930 2.709 1.931 3.773 . 0 0 "[ . 1 . 2]" 1
475 1 64 THR H 1 65 TRP H . . 5.280 4.513 4.393 4.586 . 0 0 "[ . 1 . 2]" 1
476 1 64 THR HA 1 64 THR MG . . 3.390 2.770 2.015 3.206 . 0 0 "[ . 1 . 2]" 1
477 1 64 THR HA 1 65 TRP H . . 3.290 2.160 2.142 2.204 . 0 0 "[ . 1 . 2]" 1
478 1 64 THR HA 1 65 TRP HD1 . . 3.740 3.241 2.962 3.790 0.050 19 0 "[ . 1 . 2]" 1
479 1 64 THR HB 1 65 TRP H . . 4.410 4.093 3.781 4.217 . 0 0 "[ . 1 . 2]" 1
480 1 64 THR MG 1 65 TRP H . . 4.270 3.486 2.515 4.074 . 0 0 "[ . 1 . 2]" 1
481 1 64 THR MG 1 66 SER H . . 5.240 4.745 4.202 5.287 0.047 15 0 "[ . 1 . 2]" 1
482 1 64 THR MG 1 66 SER HA . . 5.370 4.913 4.389 5.430 0.060 15 0 "[ . 1 . 2]" 1
483 1 64 THR MG 1 66 SER HB2 . . 5.500 4.825 4.088 5.521 0.021 19 0 "[ . 1 . 2]" 1
484 1 64 THR MG 1 66 SER QB . . 4.630 4.069 3.725 4.560 . 0 0 "[ . 1 . 2]" 1
485 1 64 THR MG 1 66 SER HB3 . . 5.500 4.671 3.819 5.544 0.044 8 0 "[ . 1 . 2]" 1
486 1 65 TRP H 1 65 TRP HB2 . . 3.870 2.528 2.416 2.682 . 0 0 "[ . 1 . 2]" 1
487 1 65 TRP H 1 65 TRP QB . . 3.370 2.485 2.382 2.623 . 0 0 "[ . 1 . 2]" 1
488 1 65 TRP H 1 65 TRP HB3 . . 3.870 3.663 3.621 3.710 . 0 0 "[ . 1 . 2]" 1
489 1 65 TRP H 1 65 TRP HD1 . . 4.000 2.361 2.119 3.205 . 0 0 "[ . 1 . 2]" 1
490 1 65 TRP H 1 65 TRP HE1 . . 4.800 4.698 4.455 4.897 0.097 16 0 "[ . 1 . 2]" 1
491 1 65 TRP H 1 66 SER H . . 5.050 4.451 4.356 4.592 . 0 0 "[ . 1 . 2]" 1
492 1 65 TRP HA 1 66 SER H . . 3.200 2.185 2.140 2.315 . 0 0 "[ . 1 . 2]" 1
493 1 65 TRP QB 1 65 TRP HE1 . . 4.550 4.489 4.440 4.582 0.032 19 0 "[ . 1 . 2]" 1
494 1 65 TRP HB2 1 66 SER H . . 4.610 4.139 3.772 4.330 . 0 0 "[ . 1 . 2]" 1
495 1 65 TRP HB3 1 66 SER H . . 4.610 3.267 2.657 3.594 . 0 0 "[ . 1 . 2]" 1
496 1 66 SER HA 1 67 SER H . . 3.060 2.213 2.152 2.253 . 0 0 "[ . 1 . 2]" 1
497 1 66 SER QB 1 67 SER H . . 3.840 3.229 2.864 3.612 . 0 0 "[ . 1 . 2]" 1
498 1 66 SER QB 1 70 ASP QB . . 4.160 2.560 1.928 3.413 . 0 0 "[ . 1 . 2]" 1
499 1 66 SER HB2 1 67 SER H . . 4.630 3.516 2.920 4.287 . 0 0 "[ . 1 . 2]" 1
500 1 66 SER HB3 1 67 SER H . . 4.630 4.093 2.944 4.356 . 0 0 "[ . 1 . 2]" 1
501 1 67 SER H 1 70 ASP H . . 4.970 4.053 3.489 4.605 . 0 0 "[ . 1 . 2]" 1
502 1 67 SER H 1 70 ASP QB . . 3.830 3.447 2.556 3.833 0.003 6 0 "[ . 1 . 2]" 1
503 1 68 GLU H 1 68 GLU QB . . 3.520 2.285 2.132 2.631 . 0 0 "[ . 1 . 2]" 1
504 1 68 GLU H 1 70 ASP H . . 4.590 4.324 3.994 4.736 0.146 15 0 "[ . 1 . 2]" 1
505 1 68 GLU H 1 71 CYS H . . 5.450 5.152 4.735 5.488 0.038 17 0 "[ . 1 . 2]" 1
506 1 68 GLU QB 1 69 ALA H . . 3.670 2.989 2.603 3.600 . 0 0 "[ . 1 . 2]" 1
507 1 68 GLU HB2 1 69 ALA H . . 4.280 3.860 2.992 4.163 . 0 0 "[ . 1 . 2]" 1
508 1 68 GLU HB2 1 71 CYS H . . 5.500 5.333 4.540 5.594 0.094 20 0 "[ . 1 . 2]" 1
509 1 68 GLU HB3 1 69 ALA H . . 4.280 3.260 2.639 4.155 . 0 0 "[ . 1 . 2]" 1
510 1 68 GLU HB3 1 71 CYS H . . 5.500 5.217 4.507 5.538 0.038 9 0 "[ . 1 . 2]" 1
511 1 69 ALA H 1 69 ALA MB . . 3.130 2.107 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
512 1 69 ALA H 1 70 ASP H . . 3.700 2.719 2.590 2.882 . 0 0 "[ . 1 . 2]" 1
513 1 69 ALA H 1 71 CYS H . . 4.760 4.068 3.834 4.228 . 0 0 "[ . 1 . 2]" 1
514 1 69 ALA HA 1 71 CYS H . . 4.580 3.992 3.673 4.448 . 0 0 "[ . 1 . 2]" 1
515 1 69 ALA MB 1 70 ASP H . . 3.580 2.818 2.393 2.995 . 0 0 "[ . 1 . 2]" 1
516 1 69 ALA MB 1 70 ASP HA . . 4.800 3.831 3.698 3.928 . 0 0 "[ . 1 . 2]" 1
517 1 69 ALA MB 1 71 CYS H . . 4.700 4.383 4.213 4.516 . 0 0 "[ . 1 . 2]" 1
518 1 70 ASP H 1 70 ASP QB . . 3.200 2.215 2.077 2.392 . 0 0 "[ . 1 . 2]" 1
519 1 71 CYS H 1 71 CYS QB . . 3.330 2.306 2.229 2.514 . 0 0 "[ . 1 . 2]" 1
520 1 71 CYS H 1 72 SER QB . . 4.650 4.490 4.366 4.648 . 0 0 "[ . 1 . 2]" 1
521 1 71 CYS H 1 73 GLY H . . 5.500 4.233 4.015 4.488 . 0 0 "[ . 1 . 2]" 1
522 1 71 CYS H 1 78 ILE MD . . 5.060 4.460 4.004 4.793 . 0 0 "[ . 1 . 2]" 1
523 1 71 CYS HA 1 78 ILE MD . . 4.690 3.021 2.592 3.361 . 0 0 "[ . 1 . 2]" 1
524 1 71 CYS HA 1 78 ILE MG . . 5.360 4.441 3.822 5.300 . 0 0 "[ . 1 . 2]" 1
525 1 71 CYS QB 1 78 ILE MD . . 3.770 3.234 2.592 3.561 . 0 0 "[ . 1 . 2]" 1
526 1 71 CYS HB2 1 72 SER QB . . 5.500 5.188 4.505 5.523 0.023 6 0 "[ . 1 . 2]" 1
527 1 71 CYS HB3 1 72 SER QB . . 5.500 4.794 3.907 5.503 0.003 4 0 "[ . 1 . 2]" 1
528 1 72 SER H 1 72 SER QB . . 3.240 2.235 2.081 2.301 . 0 0 "[ . 1 . 2]" 1
529 1 72 SER H 1 73 GLY H . . 4.400 2.587 2.391 2.766 . 0 0 "[ . 1 . 2]" 1
530 1 73 GLY H 1 74 CYS H . . 4.020 2.304 2.050 2.543 . 0 0 "[ . 1 . 2]" 1
531 1 73 GLY H 1 75 LYS H . . 5.500 4.006 3.604 4.229 . 0 0 "[ . 1 . 2]" 1
532 1 73 GLY H 1 75 LYS QG . . 5.500 4.839 4.220 5.485 . 0 0 "[ . 1 . 2]" 1
533 1 73 GLY QA 1 75 LYS H . . 4.170 3.720 3.436 3.939 . 0 0 "[ . 1 . 2]" 1
534 1 74 CYS H 1 75 LYS H . . 3.160 2.758 2.001 2.901 . 0 0 "[ . 1 . 2]" 1
535 1 74 CYS H 1 75 LYS QB . . 4.810 4.600 3.901 4.812 0.002 18 0 "[ . 1 . 2]" 1
536 1 74 CYS H 1 76 GLN H . . 5.500 5.290 4.774 5.421 . 0 0 "[ . 1 . 2]" 1
537 1 74 CYS H 1 77 LEU HG . . 5.500 5.471 5.087 6.020 0.520 16 1 "[ . 1 .+ 2]" 1
538 1 74 CYS H 1 78 ILE MD . . 5.340 4.932 4.718 5.351 0.011 10 0 "[ . 1 . 2]" 1
539 1 74 CYS HA 1 76 GLN H . . 5.080 3.671 3.457 3.936 . 0 0 "[ . 1 . 2]" 1
540 1 74 CYS HA 1 77 LEU HB2 . . 4.650 4.196 3.874 4.482 . 0 0 "[ . 1 . 2]" 1
541 1 74 CYS HA 1 77 LEU MD1 . . 4.660 3.496 3.072 3.883 . 0 0 "[ . 1 . 2]" 1
542 1 74 CYS QB 1 75 LYS H . . 4.410 3.889 3.681 4.045 . 0 0 "[ . 1 . 2]" 1
543 1 74 CYS QB 1 77 LEU HB2 . . 4.350 2.345 2.059 2.620 . 0 0 "[ . 1 . 2]" 1
544 1 74 CYS QB 1 77 LEU MD1 . . 3.730 1.964 1.879 2.092 . 0 0 "[ . 1 . 2]" 1
545 1 74 CYS HB2 1 75 LYS H . . 5.010 4.245 3.925 4.481 . 0 0 "[ . 1 . 2]" 1
546 1 74 CYS HB2 1 77 LEU HB2 . . 4.980 3.062 2.068 3.815 . 0 0 "[ . 1 . 2]" 1
547 1 74 CYS HB2 1 77 LEU MD1 . . 4.330 2.885 1.952 3.550 . 0 0 "[ . 1 . 2]" 1
548 1 74 CYS HB3 1 75 LYS H . . 5.010 4.521 4.413 4.654 . 0 0 "[ . 1 . 2]" 1
549 1 74 CYS HB3 1 77 LEU HB2 . . 4.980 2.989 2.238 4.323 . 0 0 "[ . 1 . 2]" 1
550 1 74 CYS HB3 1 77 LEU MD1 . . 4.330 2.225 1.959 2.955 . 0 0 "[ . 1 . 2]" 1
551 1 75 LYS H 1 75 LYS QB . . 3.160 2.295 2.058 2.573 . 0 0 "[ . 1 . 2]" 1
552 1 75 LYS H 1 75 LYS QE . . 5.340 4.808 3.411 5.339 . 0 0 "[ . 1 . 2]" 1
553 1 75 LYS H 1 76 GLN H . . 4.360 2.890 2.830 2.946 . 0 0 "[ . 1 . 2]" 1
554 1 75 LYS H 1 78 ILE MD . . 5.500 5.509 5.499 5.517 0.017 17 0 "[ . 1 . 2]" 1
555 1 75 LYS HA 1 75 LYS QD . . 4.350 3.647 1.992 4.356 0.006 8 0 "[ . 1 . 2]" 1
556 1 75 LYS HA 1 75 LYS QE . . 5.500 4.493 3.463 5.524 0.024 5 0 "[ . 1 . 2]" 1
557 1 75 LYS HA 1 78 ILE H . . 4.330 3.328 3.287 3.361 . 0 0 "[ . 1 . 2]" 1
558 1 75 LYS HA 1 78 ILE HB . . 4.490 2.752 2.504 2.920 . 0 0 "[ . 1 . 2]" 1
559 1 75 LYS HA 1 78 ILE MD . . 4.370 4.303 4.232 4.343 . 0 0 "[ . 1 . 2]" 1
560 1 75 LYS HA 1 78 ILE HG12 . . 5.500 2.811 2.761 2.874 . 0 0 "[ . 1 . 2]" 1
561 1 75 LYS HA 1 78 ILE QG . . 4.680 2.622 2.559 2.659 . 0 0 "[ . 1 . 2]" 1
562 1 75 LYS HA 1 78 ILE HG13 . . 5.500 3.157 2.871 3.306 . 0 0 "[ . 1 . 2]" 1
563 1 75 LYS HA 1 78 ILE MG . . 4.510 4.083 3.855 4.237 . 0 0 "[ . 1 . 2]" 1
564 1 75 LYS HA 1 79 GLU H . . 5.080 4.045 3.934 4.119 . 0 0 "[ . 1 . 2]" 1
565 1 75 LYS QB 1 75 LYS QD . . 3.300 2.155 1.977 2.390 . 0 0 "[ . 1 . 2]" 1
566 1 76 GLN H 1 76 GLN QB . . 3.410 2.586 2.470 2.630 . 0 0 "[ . 1 . 2]" 1
567 1 76 GLN H 1 77 LEU H . . 3.790 2.789 2.688 2.820 . 0 0 "[ . 1 . 2]" 1
568 1 76 GLN H 1 77 LEU MD2 . . 5.410 4.687 4.332 5.238 . 0 0 "[ . 1 . 2]" 1
569 1 76 GLN H 1 77 LEU HG . . 5.180 4.322 4.186 4.416 . 0 0 "[ . 1 . 2]" 1
570 1 76 GLN H 1 79 GLU H . . 5.500 4.974 4.908 4.995 . 0 0 "[ . 1 . 2]" 1
571 1 76 GLN H 1 79 GLU QG . . 4.640 4.271 4.142 4.421 . 0 0 "[ . 1 . 2]" 1
572 1 76 GLN HA 1 76 GLN QG . . 3.650 3.344 3.316 3.421 . 0 0 "[ . 1 . 2]" 1
573 1 76 GLN HA 1 79 GLU HG2 . . 3.840 2.365 2.160 2.929 . 0 0 "[ . 1 . 2]" 1
574 1 76 GLN HA 1 79 GLU HG3 . . 3.840 3.184 2.645 3.423 . 0 0 "[ . 1 . 2]" 1
575 1 76 GLN QB 1 77 LEU H . . 3.800 3.384 3.312 3.454 . 0 0 "[ . 1 . 2]" 1
576 1 76 GLN HE21 1 77 LEU HB2 . . 5.340 5.233 4.961 5.502 0.162 20 0 "[ . 1 . 2]" 1
577 1 76 GLN HE21 1 77 LEU HG . . 4.840 2.940 2.707 3.228 . 0 0 "[ . 1 . 2]" 1
578 1 76 GLN QG 1 77 LEU MD1 . . 4.710 3.754 3.465 3.894 . 0 0 "[ . 1 . 2]" 1
579 1 76 GLN QG 1 77 LEU MD2 . . 3.970 2.202 1.924 2.628 . 0 0 "[ . 1 . 2]" 1
580 1 76 GLN QG 1 77 LEU HG . . 4.340 2.333 2.017 2.436 . 0 0 "[ . 1 . 2]" 1
581 1 76 GLN HG2 1 77 LEU MD2 . . 4.760 3.435 2.075 4.063 . 0 0 "[ . 1 . 2]" 1
582 1 76 GLN HG2 1 77 LEU HG . . 4.960 3.228 2.347 3.887 . 0 0 "[ . 1 . 2]" 1
583 1 76 GLN HG3 1 77 LEU MD2 . . 4.760 2.307 1.939 2.879 . 0 0 "[ . 1 . 2]" 1
584 1 76 GLN HG3 1 77 LEU HG . . 4.960 2.648 2.048 3.830 . 0 0 "[ . 1 . 2]" 1
585 1 77 LEU H 1 77 LEU HB3 . . 3.860 3.597 3.588 3.604 . 0 0 "[ . 1 . 2]" 1
586 1 77 LEU H 1 78 ILE MD . . 5.420 4.851 4.643 5.080 . 0 0 "[ . 1 . 2]" 1
587 1 77 LEU H 1 79 GLU QG . . 4.360 4.102 3.982 4.264 . 0 0 "[ . 1 . 2]" 1
588 1 77 LEU HA 1 77 LEU MD1 . . 3.750 3.818 3.784 3.927 0.177 16 0 "[ . 1 . 2]" 1
589 1 77 LEU HA 1 77 LEU MD2 . . 3.030 2.107 1.974 2.277 . 0 0 "[ . 1 . 2]" 1
590 1 77 LEU HA 1 77 LEU HG . . 3.770 3.386 3.190 3.480 . 0 0 "[ . 1 . 2]" 1
591 1 77 LEU HA 1 78 ILE HA . . 5.500 4.849 4.822 4.867 . 0 0 "[ . 1 . 2]" 1
592 1 77 LEU HA 1 80 ALA MB . . 2.990 2.148 2.061 2.289 . 0 0 "[ . 1 . 2]" 1
593 1 77 LEU HB2 1 77 LEU MD1 . . 3.100 2.436 2.163 2.510 . 0 0 "[ . 1 . 2]" 1
594 1 77 LEU HB2 1 77 LEU MD2 . . 3.080 3.182 3.174 3.192 0.112 15 0 "[ . 1 . 2]" 1
595 1 77 LEU HB3 1 77 LEU MD2 . . 3.450 2.422 2.324 2.473 . 0 0 "[ . 1 . 2]" 1
596 1 77 LEU HB3 1 78 ILE H . . 4.440 3.663 3.569 3.776 . 0 0 "[ . 1 . 2]" 1
597 1 77 LEU HB3 1 78 ILE MD . . 4.380 4.217 3.951 4.649 0.269 18 0 "[ . 1 . 2]" 1
598 1 77 LEU MD2 1 80 ALA MB . . 3.690 3.251 3.126 3.375 . 0 0 "[ . 1 . 2]" 1
599 1 77 LEU MD2 1 81 TYR H . . 5.400 5.141 4.916 5.370 . 0 0 "[ . 1 . 2]" 1
600 1 78 ILE H 1 78 ILE HB . . 3.470 2.635 2.595 2.668 . 0 0 "[ . 1 . 2]" 1
601 1 78 ILE H 1 78 ILE MD . . 4.300 2.957 2.800 3.163 . 0 0 "[ . 1 . 2]" 1
602 1 78 ILE H 1 78 ILE QG . . 3.950 1.962 1.935 2.016 . 0 0 "[ . 1 . 2]" 1
603 1 78 ILE H 1 78 ILE MG . . 3.950 3.763 3.760 3.766 . 0 0 "[ . 1 . 2]" 1
604 1 78 ILE H 1 79 GLU H . . 3.420 2.840 2.763 2.906 . 0 0 "[ . 1 . 2]" 1
605 1 78 ILE H 1 79 GLU QG . . 4.610 3.996 3.936 4.039 . 0 0 "[ . 1 . 2]" 1
606 1 78 ILE HA 1 78 ILE MD . . 3.810 2.007 1.956 2.158 . 0 0 "[ . 1 . 2]" 1
607 1 78 ILE HA 1 78 ILE QG . . 3.720 2.976 2.885 3.024 . 0 0 "[ . 1 . 2]" 1
608 1 78 ILE HA 1 79 GLU HA . . 5.500 4.706 4.697 4.719 . 0 0 "[ . 1 . 2]" 1
609 1 78 ILE HA 1 81 TYR H . . 4.240 3.973 3.925 3.993 . 0 0 "[ . 1 . 2]" 1
610 1 78 ILE HA 1 81 TYR HB2 . . 4.900 4.090 3.677 4.357 . 0 0 "[ . 1 . 2]" 1
611 1 78 ILE HA 1 81 TYR QB . . 4.240 3.333 3.247 3.434 . 0 0 "[ . 1 . 2]" 1
612 1 78 ILE HA 1 81 TYR HB3 . . 4.900 3.550 3.365 3.760 . 0 0 "[ . 1 . 2]" 1
613 1 78 ILE HA 1 82 TRP HD1 . . 4.720 4.132 3.700 4.457 . 0 0 "[ . 1 . 2]" 1
614 1 78 ILE HB 1 78 ILE MD . . 3.590 3.223 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
615 1 78 ILE MD 1 78 ILE MG . . 3.140 2.035 1.933 2.173 . 0 0 "[ . 1 . 2]" 1
616 1 78 ILE MD 1 79 GLU H . . 4.610 4.569 4.522 4.627 0.017 18 0 "[ . 1 . 2]" 1
617 1 78 ILE MD 1 82 TRP HE1 . . 5.310 4.783 4.486 5.034 . 0 0 "[ . 1 . 2]" 1
618 1 78 ILE QG 1 78 ILE MG . . 3.160 2.250 2.204 2.306 . 0 0 "[ . 1 . 2]" 1
619 1 78 ILE QG 1 79 GLU H . . 4.690 3.891 3.852 3.938 . 0 0 "[ . 1 . 2]" 1
620 1 78 ILE MG 1 79 GLU H . . 4.010 3.440 3.280 3.539 . 0 0 "[ . 1 . 2]" 1
621 1 78 ILE MG 1 79 GLU HA . . 4.490 3.551 3.394 3.688 . 0 0 "[ . 1 . 2]" 1
622 1 78 ILE MG 1 81 TYR QB . . 4.740 4.225 4.116 4.348 . 0 0 "[ . 1 . 2]" 1
623 1 78 ILE MG 1 82 TRP HD1 . . 3.790 3.413 2.620 3.737 . 0 0 "[ . 1 . 2]" 1
624 1 78 ILE MG 1 82 TRP HE1 . . 3.430 3.301 2.828 3.427 . 0 0 "[ . 1 . 2]" 1
625 1 79 GLU H 1 79 GLU QB . . 3.160 2.590 2.569 2.602 . 0 0 "[ . 1 . 2]" 1
626 1 79 GLU H 1 79 GLU QG . . 3.410 1.946 1.930 1.980 . 0 0 "[ . 1 . 2]" 1
627 1 79 GLU H 1 80 ALA MB . . 4.450 4.138 4.084 4.202 . 0 0 "[ . 1 . 2]" 1
628 1 79 GLU QB 1 80 ALA H . . 3.630 3.397 3.370 3.418 . 0 0 "[ . 1 . 2]" 1
629 1 79 GLU QG 1 80 ALA H . . 4.090 2.093 2.028 2.131 . 0 0 "[ . 1 . 2]" 1
630 1 80 ALA H 1 80 ALA MB . . 2.920 2.202 2.141 2.235 . 0 0 "[ . 1 . 2]" 1
631 1 80 ALA H 1 83 ASN QB . . 5.240 4.617 4.190 4.786 . 0 0 "[ . 1 . 2]" 1
632 1 80 ALA HA 1 83 ASN H . . 3.620 3.382 3.200 3.621 0.001 16 0 "[ . 1 . 2]" 1
633 1 80 ALA HA 1 83 ASN HB2 . . 3.890 3.378 3.078 3.744 . 0 0 "[ . 1 . 2]" 1
634 1 80 ALA HA 1 83 ASN QB . . 3.390 2.465 2.042 2.597 . 0 0 "[ . 1 . 2]" 1
635 1 80 ALA HA 1 83 ASN HB3 . . 3.890 2.537 2.072 2.679 . 0 0 "[ . 1 . 2]" 1
636 1 80 ALA HA 1 83 ASN HD21 . . 3.850 3.500 3.185 3.731 . 0 0 "[ . 1 . 2]" 1
637 1 80 ALA MB 1 81 TYR H . . 3.470 2.503 2.345 2.637 . 0 0 "[ . 1 . 2]" 1
638 1 80 ALA MB 1 83 ASN H . . 4.520 4.507 4.410 4.681 0.161 16 0 "[ . 1 . 2]" 1
639 1 80 ALA MB 1 83 ASN QB . . 4.710 3.780 3.524 3.917 . 0 0 "[ . 1 . 2]" 1
640 1 81 TYR H 1 81 TYR HB2 . . 3.590 2.491 2.290 2.624 . 0 0 "[ . 1 . 2]" 1
641 1 81 TYR H 1 81 TYR HB3 . . 3.590 2.574 2.437 2.798 . 0 0 "[ . 1 . 2]" 1
642 1 81 TYR H 1 82 TRP H . . 3.620 2.755 2.649 2.907 . 0 0 "[ . 1 . 2]" 1
643 1 81 TYR HA 1 84 GLU QB . . 4.330 3.134 2.796 3.538 . 0 0 "[ . 1 . 2]" 1
644 1 81 TYR QB 1 82 TRP H . . 3.570 2.549 2.198 2.771 . 0 0 "[ . 1 . 2]" 1
645 1 82 TRP H 1 82 TRP QB . . 3.320 2.285 2.168 2.425 . 0 0 "[ . 1 . 2]" 1
646 1 82 TRP H 1 82 TRP HE1 . . 5.500 4.910 4.531 5.499 . 0 0 "[ . 1 . 2]" 1
647 1 82 TRP HA 1 85 HIS H . . 3.920 3.466 3.292 3.735 . 0 0 "[ . 1 . 2]" 1
648 1 82 TRP HA 1 85 HIS HB2 . . 5.500 3.453 2.919 4.166 . 0 0 "[ . 1 . 2]" 1
649 1 82 TRP HA 1 85 HIS QB . . 4.690 3.086 2.381 3.694 . 0 0 "[ . 1 . 2]" 1
650 1 82 TRP HA 1 85 HIS HB3 . . 5.500 3.822 2.444 5.326 . 0 0 "[ . 1 . 2]" 1
651 1 83 ASN H 1 83 ASN QB . . 3.000 2.234 2.193 2.265 . 0 0 "[ . 1 . 2]" 1
652 1 83 ASN H 1 84 GLU H . . 3.480 2.675 2.520 2.863 . 0 0 "[ . 1 . 2]" 1
653 1 83 ASN H 1 84 GLU QB . . 4.800 4.419 4.275 4.652 . 0 0 "[ . 1 . 2]" 1
654 1 83 ASN QB 1 84 GLU H . . 3.570 2.773 2.488 2.990 . 0 0 "[ . 1 . 2]" 1
655 1 83 ASN QB 1 85 HIS H . . 5.030 4.682 4.489 4.804 . 0 0 "[ . 1 . 2]" 1
656 1 83 ASN QB 1 86 GLY H . . 5.330 4.883 4.711 5.053 . 0 0 "[ . 1 . 2]" 1
657 1 84 GLU H 1 84 GLU QB . . 3.160 2.181 2.040 2.304 . 0 0 "[ . 1 . 2]" 1
658 1 84 GLU H 1 84 GLU QG . . 4.260 3.654 2.525 3.969 . 0 0 "[ . 1 . 2]" 1
659 1 84 GLU H 1 85 HIS H . . 3.130 2.612 2.495 2.664 . 0 0 "[ . 1 . 2]" 1
660 1 84 GLU H 1 85 HIS QB . . 5.050 4.423 4.266 4.650 . 0 0 "[ . 1 . 2]" 1
661 1 84 GLU HA 1 84 GLU HG2 . . 3.730 2.951 2.182 3.566 . 0 0 "[ . 1 . 2]" 1
662 1 84 GLU HA 1 84 GLU QG . . 3.070 2.350 2.115 2.598 . 0 0 "[ . 1 . 2]" 1
663 1 84 GLU HA 1 84 GLU HG3 . . 3.730 2.723 2.134 3.506 . 0 0 "[ . 1 . 2]" 1
664 1 84 GLU QB 1 84 GLU HG2 . . 2.670 2.299 2.128 2.468 . 0 0 "[ . 1 . 2]" 1
665 1 84 GLU QB 1 84 GLU QG . . 2.280 2.045 1.973 2.086 . 0 0 "[ . 1 . 2]" 1
666 1 84 GLU QB 1 84 GLU HG3 . . 2.670 2.322 2.140 2.512 . 0 0 "[ . 1 . 2]" 1
667 1 84 GLU QB 1 85 HIS H . . 3.830 2.879 2.747 2.968 . 0 0 "[ . 1 . 2]" 1
668 1 84 GLU QB 1 86 GLY H . . 5.040 4.697 4.588 4.878 . 0 0 "[ . 1 . 2]" 1
669 1 85 HIS H 1 85 HIS HB2 . . 3.840 2.469 2.213 2.737 . 0 0 "[ . 1 . 2]" 1
670 1 85 HIS H 1 85 HIS QB . . 3.310 2.269 2.191 2.371 . 0 0 "[ . 1 . 2]" 1
671 1 85 HIS H 1 85 HIS HB3 . . 3.840 2.866 2.394 3.632 . 0 0 "[ . 1 . 2]" 1
672 1 85 HIS H 1 86 GLY H . . 3.590 2.428 2.263 2.733 . 0 0 "[ . 1 . 2]" 1
673 1 85 HIS H 1 87 GLY H . . 4.000 3.846 3.013 4.000 . 0 0 "[ . 1 . 2]" 1
674 1 85 HIS HA 1 85 HIS HD2 . . 4.910 3.692 2.381 4.715 . 0 0 "[ . 1 . 2]" 1
675 1 85 HIS QB 1 87 GLY H . . 4.570 3.418 2.816 3.883 . 0 0 "[ . 1 . 2]" 1
676 1 86 GLY H 1 87 GLY H . . 3.610 2.177 2.067 2.423 . 0 0 "[ . 1 . 2]" 1
677 1 86 GLY QA 1 87 GLY H . . 2.920 2.772 2.699 2.854 . 0 0 "[ . 1 . 2]" 1
678 1 87 GLY QA 1 88 ARG H . . 3.080 2.224 2.120 2.283 . 0 0 "[ . 1 . 2]" 1
679 1 88 ARG HA 1 88 ARG HD2 . . 4.140 3.356 1.999 4.150 0.010 15 0 "[ . 1 . 2]" 1
680 1 88 ARG HA 1 88 ARG QD . . 3.600 2.704 1.975 3.491 . 0 0 "[ . 1 . 2]" 1
681 1 88 ARG HA 1 88 ARG HD3 . . 4.140 3.226 1.999 3.902 . 0 0 "[ . 1 . 2]" 1
682 1 89 PRO HA 1 90 GLU H . . 2.850 2.413 2.170 2.616 . 0 0 "[ . 1 . 2]" 1
683 1 89 PRO QB 1 90 GLU H . . 3.750 2.616 2.094 3.805 0.055 15 0 "[ . 1 . 2]" 1
684 1 90 GLU H 1 90 GLU QB . . 3.340 2.789 2.184 3.216 . 0 0 "[ . 1 . 2]" 1
685 1 90 GLU H 1 90 GLU QG . . 3.320 2.588 1.952 3.291 . 0 0 "[ . 1 . 2]" 1
686 1 90 GLU HA 1 90 GLU QG . . 3.770 2.871 2.228 3.438 . 0 0 "[ . 1 . 2]" 1
687 1 90 GLU HA 1 91 PRO HD2 . . 3.300 2.331 2.057 2.509 . 0 0 "[ . 1 . 2]" 1
688 1 90 GLU HA 1 91 PRO HD3 . . 3.300 2.529 2.297 2.990 . 0 0 "[ . 1 . 2]" 1
689 1 90 GLU QB 1 91 PRO QD . . 3.830 2.578 1.935 3.755 . 0 0 "[ . 1 . 2]" 1
690 1 90 GLU HB2 1 90 GLU QG . . 2.800 2.281 2.131 2.469 . 0 0 "[ . 1 . 2]" 1
691 1 90 GLU HB3 1 90 GLU QG . . 2.800 2.342 2.161 2.503 . 0 0 "[ . 1 . 2]" 1
692 1 91 PRO HA 1 92 SER H . . 2.890 2.231 2.152 2.556 . 0 0 "[ . 1 . 2]" 1
693 1 91 PRO QB 1 92 SER H . . 3.520 3.059 2.209 3.498 . 0 0 "[ . 1 . 2]" 1
694 1 91 PRO HB2 1 92 SER H . . 4.180 3.231 2.245 3.762 . 0 0 "[ . 1 . 2]" 1
695 1 91 PRO HB3 1 92 SER H . . 4.180 3.819 3.279 4.159 . 0 0 "[ . 1 . 2]" 1
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