Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564876 | 2m86 RC | 19230 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m86
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 672
_Distance_constraint_stats_list.Viol_count 418
_Distance_constraint_stats_list.Viol_total 970.124
_Distance_constraint_stats_list.Viol_max 1.204
_Distance_constraint_stats_list.Viol_rms 0.0819
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.2321
_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 SER 1.133 0.121 8 0 "[ . 1]"
1 2 GLY 1.157 0.453 9 0 "[ . 1]"
1 3 SER 1.193 0.757 9 1 "[ . +1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 ALA 0.000 0.000 . 0 "[ . 1]"
1 6 SER 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 6.888 0.625 5 3 "[ +- *1]"
1 10 THR 0.482 0.187 9 0 "[ . 1]"
1 11 SER 1.305 0.508 6 1 "[ .+ 1]"
1 12 PHE 0.813 0.801 5 1 "[ + 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 3.680 0.625 5 2 "[ + -1]"
1 15 TYR 0.456 0.332 9 0 "[ . 1]"
1 16 TRP 7.661 0.998 5 10 [****+**-**]
1 17 ASN 3.780 0.801 5 2 "[ -+ 1]"
1 18 LEU 10.046 0.998 5 10 [****+-****]
1 19 LEU 0.050 0.050 7 0 "[ . 1]"
1 20 SER 1.157 0.453 9 0 "[ . 1]"
1 21 ALA 0.000 0.000 . 0 "[ . 1]"
1 22 GLY 0.605 0.229 7 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 VAL 0.630 0.121 8 0 "[ . 1]"
1 25 CYS 2.993 0.709 7 2 "[ .-+ 1]"
1 26 PRO 0.073 0.044 1 0 "[ . 1]"
1 27 LYS 0.963 0.407 5 0 "[ . 1]"
1 28 ILE 1.708 0.565 6 1 "[ .+ 1]"
1 29 LEU 0.047 0.047 9 0 "[ . 1]"
1 30 GLN 0.455 0.291 6 0 "[ . 1]"
1 31 ARG 0.000 0.000 . 0 "[ . 1]"
1 32 CYS 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 1.221 0.556 10 1 "[ . +]"
1 34 ARG 1.577 0.556 10 1 "[ . +]"
1 35 ASP 5.126 0.993 9 2 "[ .- +1]"
1 36 SER 0.000 0.000 . 0 "[ . 1]"
1 37 ASP 0.000 0.000 . 0 "[ . 1]"
1 38 CYS 0.656 0.272 7 0 "[ . 1]"
1 39 PRO 1.593 0.565 6 1 "[ .+ 1]"
1 40 GLY 1.992 0.388 6 0 "[ . 1]"
1 41 ALA 2.616 0.709 7 2 "[ .-+ 1]"
1 42 CYS 2.876 0.559 9 1 "[ . +1]"
1 43 ILE 7.020 1.028 7 3 "[ -* + 1]"
1 44 CYS 2.255 0.356 7 0 "[ . 1]"
1 45 ARG 3.057 0.757 9 1 "[ . +1]"
1 46 GLY 0.352 0.080 4 0 "[ . 1]"
1 47 ASN 1.512 0.385 7 0 "[ . 1]"
1 48 GLY 0.000 0.000 . 0 "[ . 1]"
1 49 TYR 0.379 0.112 4 0 "[ . 1]"
1 50 CYS 1.118 0.291 6 0 "[ . 1]"
1 51 GLY 2.391 1.028 7 2 "[ . + -1]"
2 31 LEU 0.819 0.375 5 0 "[ . 1]"
2 32 VAL 0.064 0.064 7 0 "[ . 1]"
2 33 ARG 0.504 0.165 5 0 "[ . 1]"
2 34 PRO 0.222 0.074 7 0 "[ . 1]"
2 35 LYS 0.202 0.202 10 0 "[ . 1]"
2 36 PRO 0.000 0.000 . 0 "[ . 1]"
2 37 LEU 0.465 0.417 5 0 "[ . 1]"
2 38 LEU 0.415 0.125 10 0 "[ . 1]"
2 39 LEU 1.363 1.204 7 1 "[ . + 1]"
2 40 LYS 0.854 0.642 5 1 "[ + 1]"
2 41 LEU 2.402 0.601 6 2 "[ -+ 1]"
2 42 LEU 0.000 0.000 . 0 "[ . 1]"
2 43 LYS 3.372 1.204 7 2 "[ - + 1]"
2 44 SER 0.000 0.000 . 0 "[ . 1]"
2 45 VAL 0.000 0.000 . 0 "[ . 1]"
2 46 GLY 7.307 1.019 4 10 [***+**-***]
2 47 ALA 1.699 0.408 4 0 "[ . 1]"
2 48 GLN 10.501 1.019 4 10 [***+**-***]
2 49 LYS 1.387 0.381 6 0 "[ . 1]"
2 50 ASP 0.127 0.127 8 0 "[ . 1]"
2 51 THR 2.934 0.440 5 0 "[ . 1]"
2 52 TYR 1.106 0.440 5 0 "[ . 1]"
2 53 THR 2.862 0.895 4 3 "[ +*- 1]"
2 54 MET 0.068 0.068 6 0 "[ . 1]"
2 55 LYS 3.542 0.895 4 3 "[ +*- 1]"
2 56 GLU 0.882 0.295 7 0 "[ . 1]"
2 57 VAL 0.279 0.182 1 0 "[ . 1]"
2 58 LEU 0.000 0.000 . 0 "[ . 1]"
2 59 PHE 5.093 0.993 9 2 "[ .- +1]"
2 60 TYR 0.000 0.000 . 0 "[ . 1]"
2 61 LEU 0.012 0.012 4 0 "[ . 1]"
2 62 GLY 0.000 0.000 . 0 "[ . 1]"
2 63 GLN 0.457 0.457 9 0 "[ . 1]"
2 64 TYR 1.836 0.635 7 2 "[ . + -1]"
2 65 ILE 0.456 0.297 7 0 "[ . 1]"
2 66 MET 4.593 0.801 5 1 "[ + 1]"
2 67 THR 5.983 0.704 5 2 "[ + - 1]"
2 68 LYS 1.993 0.882 7 1 "[ . + 1]"
2 69 ARG 3.010 0.704 5 2 "[ + - 1]"
2 70 LEU 0.882 0.882 7 1 "[ . + 1]"
2 71 TYR 0.596 0.297 7 0 "[ . 1]"
2 72 ASP 2.171 0.637 7 1 "[ . + 1]"
2 73 GLU 0.000 0.000 . 0 "[ . 1]"
2 74 LYS 0.853 0.853 7 1 "[ . + 1]"
2 75 GLN 0.853 0.853 7 1 "[ . + 1]"
2 76 GLN 0.553 0.442 7 0 "[ . 1]"
2 77 HIS 0.372 0.248 9 0 "[ . 1]"
2 78 ILE 1.618 0.637 7 1 "[ . + 1]"
2 79 VAL 0.129 0.129 4 0 "[ . 1]"
2 80 TYR 0.000 0.000 . 0 "[ . 1]"
2 81 CYS 0.255 0.210 1 0 "[ . 1]"
2 82 SER 0.000 0.000 . 0 "[ . 1]"
2 83 ASN 0.045 0.045 2 0 "[ . 1]"
2 84 ASP 0.000 0.000 . 0 "[ . 1]"
2 85 LEU 0.000 0.000 . 0 "[ . 1]"
2 86 LEU 4.448 0.635 7 4 "[ -*+ *1]"
2 87 GLY 0.255 0.210 1 0 "[ . 1]"
2 88 ASP 0.000 0.000 . 0 "[ . 1]"
2 89 LEU 1.507 0.417 5 0 "[ . 1]"
2 90 PHE 0.000 0.000 . 0 "[ . 1]"
2 91 GLY 0.000 0.000 . 0 "[ . 1]"
2 92 VAL 0.000 0.000 . 0 "[ . 1]"
2 93 PRO 0.000 0.000 . 0 "[ . 1]"
2 94 SER 0.000 0.000 . 0 "[ . 1]"
2 95 PHE 0.000 0.000 . 0 "[ . 1]"
2 96 SER 1.539 0.354 8 0 "[ . 1]"
2 97 VAL 0.580 0.332 9 0 "[ . 1]"
2 98 LYS 3.238 0.494 8 0 "[ . 1]"
2 99 GLU 4.075 0.603 5 2 "[ +- 1]"
2 100 HIS 0.018 0.018 1 0 "[ . 1]"
2 101 ARG 0.000 0.000 . 0 "[ . 1]"
2 102 LYS 4.794 0.780 9 4 "[ - ** +1]"
2 103 ILE 1.521 0.780 9 2 "[ - . +1]"
2 104 TYR 0.050 0.050 7 0 "[ . 1]"
2 105 THR 3.484 0.943 5 2 "[ + - 1]"
2 106 MET 3.191 0.943 5 2 "[ + - 1]"
2 107 ILE 0.012 0.012 4 0 "[ . 1]"
2 108 TYR 0.893 0.290 2 0 "[ . 1]"
2 109 ARG 0.893 0.290 2 0 "[ . 1]"
2 110 ASN 0.293 0.202 10 0 "[ . 1]"
2 111 LEU 0.000 0.000 . 0 "[ . 1]"
2 112 VAL 0.000 0.000 . 0 "[ . 1]"
2 113 VAL 0.000 0.000 . 0 "[ . 1]"
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 2 104 TYR H 2 104 TYR QB . . 3.910 2.286 2.191 2.445 . 0 0 "[ . 1]" 1
2 2 78 ILE H 2 78 ILE HB . . 3.510 2.450 2.347 2.553 . 0 0 "[ . 1]" 1
3 2 40 LYS H 2 40 LYS QB . . 3.400 2.224 2.165 2.312 . 0 0 "[ . 1]" 1
4 2 100 HIS H 2 100 HIS QB . . 3.910 2.581 2.319 2.759 . 0 0 "[ . 1]" 1
5 2 106 MET H 2 106 MET QB . . 3.800 2.382 1.998 2.658 . 0 0 "[ . 1]" 1
6 2 99 GLU H 2 99 GLU QB . . 3.360 2.438 2.252 2.569 . 0 0 "[ . 1]" 1
7 2 102 LYS QB 2 103 ILE H . . 3.870 2.540 2.406 2.867 . 0 0 "[ . 1]" 1
8 2 63 GLN H 2 63 GLN QG . . 4.250 3.957 3.549 4.068 . 0 0 "[ . 1]" 1
9 2 68 LYS H 2 68 LYS QG . . 4.140 3.560 2.366 4.066 . 0 0 "[ . 1]" 1
10 2 48 GLN QB 2 49 LYS H . . 4.540 4.036 3.883 4.107 . 0 0 "[ . 1]" 1
11 2 49 LYS H 2 49 LYS QB . . 3.610 2.282 2.151 2.818 . 0 0 "[ . 1]" 1
12 2 69 ARG H 2 69 ARG QD . . 3.540 3.237 2.933 3.624 0.084 3 0 "[ . 1]" 1
13 2 69 ARG H 2 69 ARG QB . . 3.600 3.558 3.531 3.580 . 0 0 "[ . 1]" 1
14 2 109 ARG H 2 109 ARG QB . . 3.550 2.338 2.144 2.503 . 0 0 "[ . 1]" 1
15 2 82 SER H 2 82 SER QB . . 3.850 2.498 2.100 2.799 . 0 0 "[ . 1]" 1
16 2 89 LEU H 2 89 LEU QB . . 3.220 2.498 2.345 2.593 . 0 0 "[ . 1]" 1
17 2 105 THR H 2 105 THR HG1 . . 3.620 2.256 1.970 3.015 . 0 0 "[ . 1]" 1
18 2 105 THR H 2 105 THR HB . . 3.700 3.060 2.567 3.692 . 0 0 "[ . 1]" 1
19 2 67 THR H 2 67 THR HB . . 3.530 2.628 2.559 2.679 . 0 0 "[ . 1]" 1
20 2 67 THR H 2 67 THR HG1 . . 3.520 2.180 2.105 2.329 . 0 0 "[ . 1]" 1
21 2 66 MET H 2 66 MET QB . . 3.320 2.122 2.066 2.180 . 0 0 "[ . 1]" 1
22 2 69 ARG QB 2 70 LEU H . . 4.580 3.981 3.963 3.998 . 0 0 "[ . 1]" 1
23 2 70 LEU H 2 70 LEU HG . . 4.740 3.545 2.862 4.446 . 0 0 "[ . 1]" 1
24 2 94 SER H 2 94 SER QB . . 3.520 3.171 2.871 3.486 . 0 0 "[ . 1]" 1
25 2 51 THR H 2 51 THR HG1 . . 3.670 3.140 2.044 3.925 0.255 4 0 "[ . 1]" 1
26 2 53 THR H 2 53 THR HG1 . . 3.980 3.149 1.959 3.486 . 0 0 "[ . 1]" 1
27 2 33 ARG H 2 33 ARG QG . . 3.630 3.498 3.103 3.777 0.147 10 0 "[ . 1]" 1
28 2 33 ARG H 2 33 ARG QB . . 3.410 2.429 2.269 2.796 . 0 0 "[ . 1]" 1
29 2 86 LEU H 2 86 LEU HG . . 4.620 4.119 3.917 4.474 . 0 0 "[ . 1]" 1
30 2 86 LEU H 2 86 LEU QB . . 3.600 2.204 1.974 2.380 . 0 0 "[ . 1]" 1
31 2 56 GLU H 2 56 GLU QG . . 3.610 2.421 2.056 3.106 . 0 0 "[ . 1]" 1
32 2 79 VAL HB 2 80 TYR H . . 5.420 4.234 4.168 4.357 . 0 0 "[ . 1]" 1
33 2 31 LEU H 2 31 LEU HG . . 4.150 2.116 2.033 2.205 . 0 0 "[ . 1]" 1
34 2 64 TYR H 2 64 TYR QB . . 3.850 2.217 2.167 2.251 . 0 0 "[ . 1]" 1
35 2 39 LEU H 2 39 LEU QB . . 2.580 2.160 2.126 2.222 . 0 0 "[ . 1]" 1
36 2 48 GLN H 2 48 GLN QB . . 3.480 2.531 2.363 2.933 . 0 0 "[ . 1]" 1
37 2 83 ASN H 2 83 ASN QB . . 3.430 3.069 2.911 3.475 0.045 2 0 "[ . 1]" 1
38 2 43 LYS H 2 43 LYS QB . . 3.380 2.256 2.050 2.724 . 0 0 "[ . 1]" 1
39 2 74 LYS H 2 74 LYS QG . . 4.160 3.318 2.051 4.065 . 0 0 "[ . 1]" 1
40 2 72 ASP QB 2 74 LYS H . . 6.500 3.387 2.541 3.722 . 0 0 "[ . 1]" 1
41 1 12 PHE QB 2 77 HIS H . . 6.350 5.891 5.234 6.332 . 0 0 "[ . 1]" 1
42 2 77 HIS H 2 78 ILE HB . . 5.280 4.531 4.101 4.920 . 0 0 "[ . 1]" 1
43 2 39 LEU QB 2 40 LYS H . . 3.040 2.627 2.533 2.707 . 0 0 "[ . 1]" 1
44 2 105 THR HG1 2 106 MET H . . 3.750 3.790 2.297 4.693 0.943 5 2 "[ + - 1]" 1
45 2 96 SER QB 2 99 GLU H . . 4.150 3.322 2.778 4.212 0.062 10 0 "[ . 1]" 1
46 2 96 SER H 2 99 GLU H . . 4.930 4.382 4.160 4.558 . 0 0 "[ . 1]" 1
47 2 103 ILE H 2 104 TYR H . . 4.070 3.019 2.895 3.137 . 0 0 "[ . 1]" 1
48 2 44 SER H 2 45 VAL H . . 3.860 2.459 2.371 2.625 . 0 0 "[ . 1]" 1
49 2 45 VAL H 2 46 GLY H . . 4.140 2.284 2.166 2.413 . 0 0 "[ . 1]" 1
50 2 68 LYS H 2 69 ARG QD . . 4.610 4.431 4.136 4.824 0.214 9 0 "[ . 1]" 1
51 2 67 THR H 2 68 LYS H . . 3.980 2.528 2.439 2.721 . 0 0 "[ . 1]" 1
52 2 68 LYS HA 2 69 ARG H . . 3.510 3.506 3.485 3.524 0.014 6 0 "[ . 1]" 1
53 2 108 TYR H 2 109 ARG H . . 4.320 2.941 2.859 3.046 . 0 0 "[ . 1]" 1
54 2 43 LYS HA 2 44 SER H . . 4.520 3.511 3.444 3.569 . 0 0 "[ . 1]" 1
55 1 47 ASN H 1 48 GLY H . . 3.480 2.614 2.252 2.979 . 0 0 "[ . 1]" 1
56 2 80 TYR QB 2 82 SER H . . 4.760 3.432 2.926 4.001 . 0 0 "[ . 1]" 1
57 2 89 LEU H 2 90 PHE H . . 4.330 2.563 2.314 2.777 . 0 0 "[ . 1]" 1
58 2 103 ILE H 2 105 THR H . . 4.390 4.266 4.041 4.527 0.137 2 0 "[ . 1]" 1
59 2 66 MET H 2 67 THR HG1 . . 4.170 4.549 4.461 4.631 0.461 8 0 "[ . 1]" 1
60 2 66 MET H 2 67 THR H . . 3.730 2.878 2.813 2.960 . 0 0 "[ . 1]" 1
61 2 94 SER H 2 95 PHE H . . 4.500 4.374 4.320 4.416 . 0 0 "[ . 1]" 1
62 2 49 LYS QG 2 51 THR H . . 4.810 2.681 1.955 4.113 . 0 0 "[ . 1]" 1
63 2 50 ASP H 2 51 THR H . . 4.610 2.795 2.439 3.222 . 0 0 "[ . 1]" 1
64 2 51 THR H 2 52 TYR H . . 4.810 4.291 4.093 4.502 . 0 0 "[ . 1]" 1
65 2 91 GLY H 2 92 VAL H . . 3.500 2.563 2.462 2.675 . 0 0 "[ . 1]" 1
66 2 61 LEU QB 2 62 GLY H . . 3.890 2.439 2.354 2.510 . 0 0 "[ . 1]" 1
67 2 61 LEU H 2 62 GLY H . . 4.130 2.892 2.767 2.989 . 0 0 "[ . 1]" 1
68 2 86 LEU QB 2 87 GLY H . . 3.820 2.876 2.725 2.955 . 0 0 "[ . 1]" 1
69 2 87 GLY H 2 88 ASP H . . 3.620 2.678 2.566 2.822 . 0 0 "[ . 1]" 1
70 2 86 LEU H 2 87 GLY H . . 4.230 2.589 2.377 2.696 . 0 0 "[ . 1]" 1
71 2 96 SER H 2 99 GLU QB . . 4.630 3.803 3.464 4.248 . 0 0 "[ . 1]" 1
72 2 95 PHE QB 2 96 SER H . . 4.090 2.453 2.276 2.585 . 0 0 "[ . 1]" 1
73 2 96 SER H 2 98 LYS H . . 5.150 5.250 4.997 5.504 0.354 8 0 "[ . 1]" 1
74 2 53 THR HG1 2 56 GLU H . . 4.780 3.509 2.638 4.676 . 0 0 "[ . 1]" 1
75 1 22 GLY QA 2 56 GLU H . . 5.790 5.727 5.387 5.895 0.105 6 0 "[ . 1]" 1
76 2 47 ALA H 2 48 GLN H . . 3.730 3.899 3.723 4.138 0.408 4 0 "[ . 1]" 1
77 2 88 ASP H 2 89 LEU H . . 4.260 2.979 2.851 3.118 . 0 0 "[ . 1]" 1
78 2 49 LYS QG 2 50 ASP H . . 4.490 2.774 2.037 3.702 . 0 0 "[ . 1]" 1
79 2 32 VAL H 2 52 TYR H . . 4.190 3.810 3.253 4.254 0.064 7 0 "[ . 1]" 1
80 2 48 GLN H 2 49 LYS H . . 4.030 3.090 2.852 3.870 . 0 0 "[ . 1]" 1
81 2 47 ALA HA 2 48 GLN H . . 4.230 2.440 2.326 2.590 . 0 0 "[ . 1]" 1
82 2 90 PHE H 2 91 GLY H . . 4.560 2.569 2.483 2.640 . 0 0 "[ . 1]" 1
83 2 108 TYR H 2 109 ARG QG . . 4.660 4.708 4.419 4.950 0.290 2 0 "[ . 1]" 1
84 2 107 ILE H 2 108 TYR H . . 4.090 2.931 2.598 3.054 . 0 0 "[ . 1]" 1
85 2 56 GLU QG 2 57 VAL H . . 4.400 4.366 4.112 4.582 0.182 1 0 "[ . 1]" 1
86 1 45 ARG HA 1 46 GLY H . . 3.570 2.540 2.404 2.605 . 0 0 "[ . 1]" 1
87 1 42 CYS HA 1 43 ILE H . . 3.170 2.436 2.236 2.782 . 0 0 "[ . 1]" 1
88 1 1 SER HA 1 2 GLY H . . 3.480 2.342 2.186 2.408 . 0 0 "[ . 1]" 1
89 1 21 ALA H 1 22 GLY H . . 4.650 4.188 4.009 4.272 . 0 0 "[ . 1]" 1
90 1 35 ASP H 1 36 SER H . . 3.990 2.641 2.450 2.929 . 0 0 "[ . 1]" 1
91 1 16 TRP H 1 17 ASN H . . 3.720 2.841 2.628 2.981 . 0 0 "[ . 1]" 1
92 1 3 SER H 1 3 SER QB . . 3.200 2.757 2.656 3.003 . 0 0 "[ . 1]" 1
93 1 11 SER H 1 11 SER QB . . 3.640 2.443 2.202 2.637 . 0 0 "[ . 1]" 1
94 1 49 TYR H 1 49 TYR HB2 . . 3.910 2.729 2.621 2.929 . 0 0 "[ . 1]" 1
95 1 24 VAL H 1 24 VAL HB . . 3.610 3.164 2.577 3.714 0.104 3 0 "[ . 1]" 1
96 1 16 TRP H 1 16 TRP QB . . 3.500 2.148 1.982 2.222 . 0 0 "[ . 1]" 1
97 1 28 ILE H 1 28 ILE HB . . 4.250 3.614 3.597 3.652 . 0 0 "[ . 1]" 1
98 1 40 GLY HA3 1 41 ALA H . . 3.990 2.232 2.173 2.335 . 0 0 "[ . 1]" 1
99 1 7 LYS H 1 7 LYS QG . . 4.100 2.609 1.939 3.952 . 0 0 "[ . 1]" 1
100 1 29 LEU H 1 29 LEU HG . . 3.440 2.717 1.938 3.487 0.047 9 0 "[ . 1]" 1
101 1 31 ARG H 1 31 ARG QB . . 2.920 2.356 2.198 2.808 . 0 0 "[ . 1]" 1
102 1 44 CYS H 1 44 CYS HB2 . . 3.660 2.306 2.130 2.527 . 0 0 "[ . 1]" 1
103 1 44 CYS H 1 44 CYS HB3 . . 3.660 2.913 2.548 3.652 . 0 0 "[ . 1]" 1
104 1 50 CYS H 1 50 CYS HB2 . . 4.050 2.366 2.221 2.606 . 0 0 "[ . 1]" 1
105 2 75 GLN H 2 75 GLN QG . . 4.660 2.776 2.338 3.606 . 0 0 "[ . 1]" 1
106 1 27 LYS HA 1 27 LYS HE2 . . 6.500 5.168 4.548 5.915 . 0 0 "[ . 1]" 1
107 1 27 LYS HA 1 27 LYS HE3 . . 6.500 5.305 4.731 5.971 . 0 0 "[ . 1]" 1
108 1 49 TYR H 1 49 TYR HD2 . . 5.680 4.695 3.227 5.553 . 0 0 "[ . 1]" 1
109 1 33 ARG HB2 1 33 ARG HE . . 5.450 3.383 2.233 4.530 . 0 0 "[ . 1]" 1
110 1 33 ARG HB3 1 33 ARG HE . . 5.450 3.514 2.360 4.557 . 0 0 "[ . 1]" 1
111 2 61 LEU H 2 61 LEU HG . . 4.750 4.466 4.384 4.519 . 0 0 "[ . 1]" 1
112 1 10 THR H 1 10 THR HB . . 4.180 2.934 2.714 3.290 . 0 0 "[ . 1]" 1
113 1 33 ARG H 1 33 ARG HE . . 6.450 5.022 3.969 5.630 . 0 0 "[ . 1]" 1
114 1 32 CYS HB3 1 33 ARG H . . 6.360 3.596 3.329 3.766 . 0 0 "[ . 1]" 1
115 1 31 ARG QB 1 32 CYS H . . 5.560 3.629 2.922 3.955 . 0 0 "[ . 1]" 1
116 1 27 LYS H 1 27 LYS HE2 . . 6.500 5.587 4.851 6.029 . 0 0 "[ . 1]" 1
117 1 27 LYS H 1 27 LYS HE3 . . 6.500 5.636 4.758 6.758 0.258 4 0 "[ . 1]" 1
118 1 28 ILE H 1 28 ILE HG13 . . 5.290 3.409 3.156 3.562 . 0 0 "[ . 1]" 1
119 1 28 ILE H 1 28 ILE HG12 . . 5.290 2.247 1.989 2.367 . 0 0 "[ . 1]" 1
120 2 40 LYS H 2 40 LYS QG . . 3.980 4.000 3.968 4.040 0.060 6 0 "[ . 1]" 1
121 1 45 ARG H 1 45 ARG HD2 . . 6.500 5.004 4.659 5.285 . 0 0 "[ . 1]" 1
122 1 45 ARG H 1 45 ARG HD3 . . 6.500 5.137 4.889 5.614 . 0 0 "[ . 1]" 1
123 2 103 ILE H 2 103 ILE HB . . 4.030 2.557 2.402 2.672 . 0 0 "[ . 1]" 1
124 2 49 LYS H 2 49 LYS QE . . 4.880 4.414 3.730 5.168 0.288 5 0 "[ . 1]" 1
125 2 109 ARG H 2 109 ARG QG . . 4.380 2.605 2.173 2.960 . 0 0 "[ . 1]" 1
126 1 34 ARG H 1 34 ARG HE . . 6.500 5.189 4.366 6.335 . 0 0 "[ . 1]" 1
127 2 33 ARG H 2 33 ARG QD . . 5.020 4.825 4.563 5.185 0.165 5 0 "[ . 1]" 1
128 1 34 ARG H 1 34 ARG HD2 . . 6.500 5.555 4.629 6.309 . 0 0 "[ . 1]" 1
129 1 34 ARG H 1 34 ARG HD3 . . 6.500 5.562 4.637 6.558 0.058 1 0 "[ . 1]" 1
130 1 33 ARG HE 1 34 ARG H . . 6.500 5.455 3.855 6.733 0.233 8 0 "[ . 1]" 1
131 2 37 LEU H 2 37 LEU HG . . 5.620 2.976 2.311 4.154 . 0 0 "[ . 1]" 1
132 2 49 LYS HA 2 49 LYS QE . . 5.490 3.836 2.119 4.792 . 0 0 "[ . 1]" 1
133 2 41 LEU H 2 41 LEU HG . . 5.610 4.470 4.343 4.513 . 0 0 "[ . 1]" 1
134 2 102 LYS H 2 102 LYS HE3 . . 6.500 6.210 4.953 6.757 0.257 1 0 "[ . 1]" 1
135 2 102 LYS H 2 102 LYS HE2 . . 6.500 6.016 4.306 6.892 0.392 6 0 "[ . 1]" 1
136 2 49 LYS QB 2 49 LYS QE . . 4.170 2.404 2.041 3.386 . 0 0 "[ . 1]" 1
137 1 49 TYR H 1 49 TYR HD1 . . 5.150 3.785 2.826 5.262 0.112 4 0 "[ . 1]" 1
138 2 49 LYS H 2 49 LYS QG . . 4.770 4.057 3.846 4.213 . 0 0 "[ . 1]" 1
139 1 1 SER H1 1 1 SER QB . . 3.510 3.333 2.646 3.622 0.112 1 0 "[ . 1]" 1
140 1 14 GLU H 1 14 GLU QB . . 3.100 2.285 2.178 2.496 . 0 0 "[ . 1]" 1
141 1 27 LYS H 1 27 LYS QB . . 3.520 3.466 3.328 3.545 0.025 5 0 "[ . 1]" 1
142 1 27 LYS H 1 27 LYS QG . . 5.090 2.878 2.525 3.524 . 0 0 "[ . 1]" 1
143 1 27 LYS H 1 27 LYS QE . . 5.700 4.926 4.531 5.456 . 0 0 "[ . 1]" 1
144 1 27 LYS QB 1 27 LYS QD . . 3.340 2.293 2.049 2.519 . 0 0 "[ . 1]" 1
145 1 29 LEU H 1 29 LEU QB . . 3.270 2.401 2.172 2.653 . 0 0 "[ . 1]" 1
146 1 30 GLN H 1 30 GLN QB . . 3.430 2.281 2.195 2.379 . 0 0 "[ . 1]" 1
147 1 33 ARG H 1 33 ARG QB . . 3.370 2.749 2.377 3.422 0.052 9 0 "[ . 1]" 1
148 1 33 ARG QB 1 33 ARG HE . . 4.790 2.883 2.210 4.014 . 0 0 "[ . 1]" 1
149 1 34 ARG H 1 34 ARG QG . . 5.110 3.611 2.199 4.213 . 0 0 "[ . 1]" 1
150 1 36 SER H 1 36 SER QB . . 3.780 2.556 2.171 2.860 . 0 0 "[ . 1]" 1
151 1 38 CYS H 1 38 CYS QB . . 3.580 2.343 2.227 2.550 . 0 0 "[ . 1]" 1
152 1 44 CYS H 1 44 CYS QB . . 3.160 2.212 2.069 2.484 . 0 0 "[ . 1]" 1
153 1 45 ARG H 1 45 ARG QB . . 3.250 2.413 2.156 2.656 . 0 0 "[ . 1]" 1
154 1 45 ARG H 1 45 ARG QG . . 3.550 2.626 2.421 3.236 . 0 0 "[ . 1]" 1
155 2 31 LEU H 2 31 LEU QB . . 3.270 2.879 2.781 2.941 . 0 0 "[ . 1]" 1
156 2 88 ASP H 2 88 ASP QB . . 3.470 2.125 1.935 2.427 . 0 0 "[ . 1]" 1
157 2 102 LYS HA 2 102 LYS QE . . 5.390 4.390 3.743 5.107 . 0 0 "[ . 1]" 1
158 1 1 SER H1 1 51 GLY HA2 . . 4.520 3.240 2.107 3.667 . 0 0 "[ . 1]" 1
159 1 1 SER H1 1 51 GLY HA3 . . 4.130 2.777 2.156 3.372 . 0 0 "[ . 1]" 1
160 1 1 SER N 1 51 GLY C . . 1.330 1.380 1.366 1.395 0.065 3 0 "[ . 1]" 1
161 1 1 SER H1 1 51 GLY C . . 2.000 1.953 1.868 2.020 0.020 4 0 "[ . 1]" 1
162 1 1 SER HA 1 42 CYS HA . . 4.450 2.840 2.240 3.250 . 0 0 "[ . 1]" 1
163 1 1 SER QB 1 24 VAL HA . . 4.920 4.610 3.851 5.041 0.121 8 0 "[ . 1]" 1
164 1 1 SER QB 1 25 CYS H . . 4.220 3.638 3.145 4.137 . 0 0 "[ . 1]" 1
165 1 1 SER QB 1 25 CYS QB . . 4.190 2.171 1.985 3.003 . 0 0 "[ . 1]" 1
166 1 2 GLY H 1 43 ILE MG . . 4.540 2.507 1.786 3.392 . 0 0 "[ . 1]" 1
167 1 2 GLY H 1 43 ILE MD . . 4.710 3.483 1.992 4.678 . 0 0 "[ . 1]" 1
168 1 2 GLY HA2 1 3 SER H . . 4.800 2.718 2.434 3.143 . 0 0 "[ . 1]" 1
169 1 2 GLY HA2 1 20 SER HA . . 4.660 3.657 2.699 4.169 . 0 0 "[ . 1]" 1
170 1 2 GLY HA2 1 43 ILE MG . . 4.980 3.187 2.738 4.045 . 0 0 "[ . 1]" 1
171 1 2 GLY HA2 1 43 ILE MD . . 4.830 3.754 3.211 4.098 . 0 0 "[ . 1]" 1
172 1 2 GLY HA3 1 20 SER H . . 4.510 4.338 3.565 4.963 0.453 9 0 "[ . 1]" 1
173 1 2 GLY HA3 1 20 SER HA . . 4.110 2.786 2.559 3.195 . 0 0 "[ . 1]" 1
174 1 2 GLY HA3 1 20 SER HB2 . . 4.550 4.125 3.437 4.666 0.116 5 0 "[ . 1]" 1
175 1 3 SER H 1 43 ILE MD . . 4.020 2.400 2.092 2.690 . 0 0 "[ . 1]" 1
176 1 3 SER HA 1 4 GLY H . . 4.180 2.206 2.170 2.238 . 0 0 "[ . 1]" 1
177 1 3 SER QB 1 43 ILE MD . . 4.820 3.291 2.434 4.336 . 0 0 "[ . 1]" 1
178 1 3 SER QB 1 51 GLY HA3 . . 4.980 4.110 3.095 4.765 . 0 0 "[ . 1]" 1
179 1 3 SER QB 1 4 GLY H . . 4.840 3.499 3.304 3.730 . 0 0 "[ . 1]" 1
180 1 3 SER QB 1 45 ARG HG2 . . 4.890 3.104 2.110 5.647 0.757 9 1 "[ . +1]" 1
181 1 3 SER QB 1 45 ARG HD3 . . 4.270 3.019 2.298 4.689 0.419 9 0 "[ . 1]" 1
182 1 4 GLY HA2 1 5 ALA H . . 4.750 3.016 2.873 3.268 . 0 0 "[ . 1]" 1
183 1 4 GLY HA3 1 5 ALA H . . 4.410 2.333 2.233 2.526 . 0 0 "[ . 1]" 1
184 1 5 ALA HA 1 6 SER H . . 4.440 2.487 2.416 2.619 . 0 0 "[ . 1]" 1
185 1 5 ALA MB 1 9 PRO HA . . 4.690 2.136 1.987 2.466 . 0 0 "[ . 1]" 1
186 1 6 SER HA 1 18 LEU MD1 . . 4.850 2.068 1.996 2.263 . 0 0 "[ . 1]" 1
187 1 6 SER HA 1 18 LEU MD2 . . 4.380 2.311 2.133 2.553 . 0 0 "[ . 1]" 1
188 1 7 LYS H 1 8 ALA H . . 4.150 2.366 2.147 2.672 . 0 0 "[ . 1]" 1
189 1 8 ALA H 1 9 PRO HD3 . . 4.380 2.840 2.580 3.119 . 0 0 "[ . 1]" 1
190 1 8 ALA HA 1 9 PRO HD2 . . 4.720 2.207 2.181 2.246 . 0 0 "[ . 1]" 1
191 1 9 PRO HA 1 10 THR H . . 4.790 2.168 2.110 2.273 . 0 0 "[ . 1]" 1
192 1 9 PRO HB2 1 10 THR H . . 4.500 3.838 3.441 4.186 . 0 0 "[ . 1]" 1
193 1 9 PRO HB2 1 11 SER H . . 4.750 4.294 3.513 5.258 0.508 6 1 "[ .+ 1]" 1
194 1 9 PRO HB2 1 14 GLU HB2 . . 4.470 3.519 3.039 3.961 . 0 0 "[ . 1]" 1
195 1 9 PRO HB3 1 10 THR H . . 4.630 4.253 4.047 4.454 . 0 0 "[ . 1]" 1
196 1 9 PRO HG2 1 14 GLU HB3 . . 4.960 5.328 5.121 5.585 0.625 5 2 "[ + -1]" 1
197 1 9 PRO HG2 1 18 LEU HG . . 4.330 4.527 4.337 4.836 0.506 6 1 "[ .+ 1]" 1
198 1 9 PRO HG3 1 18 LEU MD1 . . 4.790 4.093 3.875 4.484 . 0 0 "[ . 1]" 1
199 1 9 PRO HD3 1 18 LEU MD1 . . 4.250 4.208 4.020 4.455 0.205 6 0 "[ . 1]" 1
200 1 10 THR H 1 11 SER H . . 4.320 2.124 1.947 2.530 . 0 0 "[ . 1]" 1
201 1 10 THR MG 1 11 SER HB3 . . 4.640 4.381 3.541 4.827 0.187 9 0 "[ . 1]" 1
202 1 11 SER H 1 14 GLU HB2 . . 4.310 2.625 2.312 3.151 . 0 0 "[ . 1]" 1
203 1 11 SER HA 1 12 PHE H . . 4.310 2.413 2.257 2.530 . 0 0 "[ . 1]" 1
204 1 11 SER HA 2 76 GLN QB . . 4.820 3.263 2.067 4.342 . 0 0 "[ . 1]" 1
205 1 11 SER HB2 1 12 PHE H . . 4.620 3.805 3.445 4.066 . 0 0 "[ . 1]" 1
206 1 12 PHE H 1 13 ALA H . . 4.970 2.817 2.516 2.981 . 0 0 "[ . 1]" 1
207 1 12 PHE H 2 76 GLN QB . . 4.310 2.932 2.235 3.794 . 0 0 "[ . 1]" 1
208 1 12 PHE HA 1 15 TYR HB2 . . 4.810 3.606 3.237 3.995 . 0 0 "[ . 1]" 1
209 1 12 PHE HB2 2 71 TYR HB2 . . 4.370 4.029 3.179 4.382 0.012 8 0 "[ . 1]" 1
210 1 12 PHE HB2 2 71 TYR QD . . 4.950 4.093 3.456 4.681 . 0 0 "[ . 1]" 1
211 1 12 PHE HB2 2 76 GLN QB . . 4.420 2.978 1.998 4.023 . 0 0 "[ . 1]" 1
212 1 12 PHE HB3 1 13 ALA H . . 4.540 3.522 2.529 4.157 . 0 0 "[ . 1]" 1
213 1 12 PHE HD2 2 66 MET QB . . 5.000 4.199 3.298 5.801 0.801 5 1 "[ + 1]" 1
214 1 13 ALA HA 1 16 TRP HB3 . . 4.550 2.710 2.378 3.680 . 0 0 "[ . 1]" 1
215 1 13 ALA MB 2 66 MET ME . . 4.980 3.575 2.973 4.074 . 0 0 "[ . 1]" 1
216 1 14 GLU H 1 15 TYR H . . 3.980 3.060 2.734 3.424 . 0 0 "[ . 1]" 1
217 1 14 GLU HA 1 17 ASN H . . 4.960 3.792 3.607 4.097 . 0 0 "[ . 1]" 1
218 1 14 GLU HA 1 17 ASN HB2 . . 4.210 3.456 3.218 3.730 . 0 0 "[ . 1]" 1
219 1 14 GLU HB2 1 15 TYR H . . 4.710 2.417 2.252 2.625 . 0 0 "[ . 1]" 1
220 1 15 TYR H 1 16 TRP H . . 3.610 2.750 2.639 2.794 . 0 0 "[ . 1]" 1
221 1 15 TYR HA 1 18 LEU HB2 . . 4.870 2.437 2.148 2.999 . 0 0 "[ . 1]" 1
222 1 15 TYR HA 1 18 LEU HG . . 4.520 3.551 3.271 4.126 . 0 0 "[ . 1]" 1
223 1 15 TYR HB2 1 16 TRP H . . 4.900 3.753 3.457 4.152 . 0 0 "[ . 1]" 1
224 1 15 TYR HB2 2 77 HIS HA . . 4.990 4.363 3.887 5.114 0.124 9 0 "[ . 1]" 1
225 1 15 TYR HB3 2 77 HIS HB3 . . 4.560 4.234 3.403 4.505 . 0 0 "[ . 1]" 1
226 1 15 TYR HB3 2 97 VAL HB . . 4.860 4.316 3.433 5.192 0.332 9 0 "[ . 1]" 1
227 1 15 TYR HB3 2 97 VAL MG1 . . 4.940 3.688 2.731 4.340 . 0 0 "[ . 1]" 1
228 1 16 TRP HA 2 97 VAL MG1 . . 4.400 3.510 3.048 4.323 . 0 0 "[ . 1]" 1
229 1 16 TRP HB3 1 17 ASN H . . 4.900 2.709 2.480 3.310 . 0 0 "[ . 1]" 1
230 1 17 ASN H 1 18 LEU H . . 4.780 2.749 2.589 2.960 . 0 0 "[ . 1]" 1
231 1 17 ASN HA 1 43 ILE MG . . 4.620 4.497 4.032 4.829 0.209 5 0 "[ . 1]" 1
232 1 17 ASN HB2 1 18 LEU H . . 4.920 2.899 2.549 3.958 . 0 0 "[ . 1]" 1
233 1 17 ASN HB3 1 43 ILE MG . . 4.800 5.060 4.127 5.601 0.801 5 2 "[ -+ 1]" 1
234 1 18 LEU H 1 19 LEU H . . 4.850 2.774 2.099 2.916 . 0 0 "[ . 1]" 1
235 1 19 LEU H 1 20 SER H . . 4.940 2.695 2.577 2.789 . 0 0 "[ . 1]" 1
236 1 19 LEU HB3 1 21 ALA H . . 4.740 3.036 2.829 3.274 . 0 0 "[ . 1]" 1
237 1 19 LEU HB3 1 21 ALA MB . . 4.220 3.016 2.550 3.546 . 0 0 "[ . 1]" 1
238 1 19 LEU HG 1 21 ALA HA . . 4.800 3.193 2.992 3.446 . 0 0 "[ . 1]" 1
239 1 19 LEU HG 1 21 ALA MB . . 4.820 2.586 2.232 3.426 . 0 0 "[ . 1]" 1
240 1 19 LEU QD 2 100 HIS HA . . 4.120 2.453 2.022 2.800 . 0 0 "[ . 1]" 1
241 1 19 LEU QD 2 104 TYR QD . . 4.700 3.756 2.262 4.750 0.050 7 0 "[ . 1]" 1
242 1 19 LEU QD 2 100 HIS HB3 . . 4.700 2.785 2.283 3.193 . 0 0 "[ . 1]" 1
243 1 19 LEU QD 2 103 ILE HB . . 4.750 2.642 2.332 3.298 . 0 0 "[ . 1]" 1
244 1 19 LEU QD 2 103 ILE MG . . 4.910 2.269 1.911 2.776 . 0 0 "[ . 1]" 1
245 1 19 LEU QD 1 21 ALA MB . . 4.360 2.258 2.088 2.793 . 0 0 "[ . 1]" 1
246 1 20 SER H 1 21 ALA H . . 4.850 2.831 2.697 2.950 . 0 0 "[ . 1]" 1
247 1 20 SER HA 1 21 ALA H . . 4.560 2.700 2.532 2.955 . 0 0 "[ . 1]" 1
248 1 21 ALA HA 1 22 GLY H . . 3.430 2.229 2.190 2.288 . 0 0 "[ . 1]" 1
249 1 21 ALA HA 2 58 LEU HG . . 4.610 3.548 2.887 4.094 . 0 0 "[ . 1]" 1
250 1 21 ALA HA 2 104 TYR HH . . 4.710 3.559 2.834 4.375 . 0 0 "[ . 1]" 1
251 1 21 ALA MB 2 58 LEU HB3 . . 4.270 2.439 2.199 2.898 . 0 0 "[ . 1]" 1
252 1 21 ALA MB 2 58 LEU HG . . 4.310 2.431 1.994 3.545 . 0 0 "[ . 1]" 1
253 1 21 ALA MB 2 58 LEU MD1 . . 4.020 3.166 2.216 3.997 . 0 0 "[ . 1]" 1
254 1 22 GLY H 1 23 GLY H . . 4.160 2.228 2.055 2.533 . 0 0 "[ . 1]" 1
255 1 22 GLY H 2 104 TYR HH . . 4.260 3.158 2.119 4.042 . 0 0 "[ . 1]" 1
256 1 22 GLY HA2 2 54 MET HB2 . . 4.840 3.807 3.210 4.585 . 0 0 "[ . 1]" 1
257 1 22 GLY HA2 2 54 MET HB3 . . 4.460 3.505 2.518 4.528 0.068 6 0 "[ . 1]" 1
258 1 22 GLY HA2 2 55 LYS HA . . 4.650 3.135 2.896 3.792 . 0 0 "[ . 1]" 1
259 1 22 GLY HA3 2 55 LYS HA . . 4.780 3.933 3.466 4.377 . 0 0 "[ . 1]" 1
260 1 22 GLY HA3 2 55 LYS HB2 . . 4.630 3.607 2.886 4.859 0.229 7 0 "[ . 1]" 1
261 1 23 GLY HA3 1 24 VAL H . . 4.230 2.246 2.178 2.364 . 0 0 "[ . 1]" 1
262 1 24 VAL HA 1 25 CYS H . . 4.280 2.227 2.166 2.355 . 0 0 "[ . 1]" 1
263 1 24 VAL MG1 1 25 CYS H . . 4.390 3.404 2.333 3.928 . 0 0 "[ . 1]" 1
264 1 25 CYS HA 1 26 PRO HD2 . . 4.590 2.387 2.217 2.513 . 0 0 "[ . 1]" 1
265 1 25 CYS HA 1 41 ALA H . . 4.880 4.622 4.122 4.944 0.064 8 0 "[ . 1]" 1
266 1 25 CYS HA 1 41 ALA MB . . 4.360 4.284 3.276 4.771 0.411 6 0 "[ . 1]" 1
267 1 25 CYS QB 1 41 ALA MB . . 4.390 3.853 2.357 5.099 0.709 7 2 "[ .-+ 1]" 1
268 1 25 CYS QB 1 27 LYS H . . 4.400 2.419 1.916 3.505 . 0 0 "[ . 1]" 1
269 1 25 CYS QB 1 27 LYS QG . . 4.420 3.558 3.058 4.827 0.407 5 0 "[ . 1]" 1
270 1 26 PRO HB2 1 28 ILE MG . . 4.180 3.062 2.781 3.317 . 0 0 "[ . 1]" 1
271 1 26 PRO HD2 1 40 GLY HA3 . . 4.620 4.399 3.897 4.664 0.044 1 0 "[ . 1]" 1
272 1 26 PRO HD2 1 41 ALA H . . 4.990 4.543 4.112 4.929 . 0 0 "[ . 1]" 1
273 1 27 LYS H 1 28 ILE H . . 4.970 2.948 2.850 3.137 . 0 0 "[ . 1]" 1
274 1 27 LYS HA 1 28 ILE H . . 2.690 2.675 2.351 2.755 0.065 1 0 "[ . 1]" 1
275 1 28 ILE HA 1 29 LEU H . . 3.110 2.217 2.177 2.251 . 0 0 "[ . 1]" 1
276 1 28 ILE HB 1 29 LEU H . . 4.620 2.904 2.817 3.057 . 0 0 "[ . 1]" 1
277 1 28 ILE MG 1 39 PRO HG3 . . 4.470 4.577 4.237 5.035 0.565 6 1 "[ .+ 1]" 1
278 1 28 ILE MD 1 30 GLN HB2 . . 4.160 2.691 2.474 2.882 . 0 0 "[ . 1]" 1
279 1 28 ILE MD 1 30 GLN HB3 . . 4.760 2.261 2.190 2.375 . 0 0 "[ . 1]" 1
280 1 28 ILE MD 1 39 PRO HD2 . . 4.880 2.060 1.934 2.140 . 0 0 "[ . 1]" 1
281 1 28 ILE MD 1 39 PRO HD3 . . 4.480 3.371 3.165 3.571 . 0 0 "[ . 1]" 1
282 1 30 GLN HA 1 31 ARG H . . 2.760 2.194 2.163 2.236 . 0 0 "[ . 1]" 1
283 1 30 GLN HB3 1 50 CYS HB2 . . 4.860 4.678 4.449 5.151 0.291 6 0 "[ . 1]" 1
284 1 30 GLN HG2 1 31 ARG H . . 4.990 3.458 2.973 4.495 . 0 0 "[ . 1]" 1
285 1 31 ARG HA 1 32 CYS H . . 4.200 2.163 2.114 2.265 . 0 0 "[ . 1]" 1
286 1 31 ARG HA 1 49 TYR HA . . 4.140 2.933 2.688 3.045 . 0 0 "[ . 1]" 1
287 1 31 ARG HA 1 49 TYR HD1 . . 4.930 3.962 2.065 4.735 . 0 0 "[ . 1]" 1
288 1 31 ARG HB2 1 49 TYR HE1 . . 4.770 3.606 2.397 4.409 . 0 0 "[ . 1]" 1
289 1 32 CYS H 1 49 TYR HA . . 4.650 3.026 2.741 3.186 . 0 0 "[ . 1]" 1
290 1 32 CYS HA 1 33 ARG H . . 4.510 2.662 2.469 3.097 . 0 0 "[ . 1]" 1
291 1 32 CYS HB2 1 33 ARG H . . 4.380 2.188 1.754 2.495 . 0 0 "[ . 1]" 1
292 1 32 CYS HB2 1 37 ASP HB2 . . 4.310 2.278 2.028 2.543 . 0 0 "[ . 1]" 1
293 1 32 CYS HB2 1 44 CYS HB2 . . 4.930 3.562 2.947 4.928 . 0 0 "[ . 1]" 1
294 1 33 ARG H 1 34 ARG H . . 2.940 1.906 1.772 2.043 . 0 0 "[ . 1]" 1
295 1 33 ARG HG2 1 34 ARG H . . 4.220 3.841 2.377 4.776 0.556 10 1 "[ . +]" 1
296 1 34 ARG HA 1 35 ASP H . . 4.650 2.638 2.460 2.855 . 0 0 "[ . 1]" 1
297 1 34 ARG HA 1 44 CYS HB3 . . 4.550 3.218 2.669 4.716 0.166 5 0 "[ . 1]" 1
298 1 34 ARG HB3 1 35 ASP H . . 4.780 3.475 2.764 3.795 . 0 0 "[ . 1]" 1
299 1 34 ARG HB3 1 36 SER H . . 4.990 3.367 2.174 4.815 . 0 0 "[ . 1]" 1
300 1 34 ARG HG3 1 35 ASP H . . 3.700 3.029 2.074 3.819 0.119 8 0 "[ . 1]" 1
301 1 35 ASP HB2 2 59 PHE HD1 . . 4.740 4.905 4.012 5.733 0.993 9 2 "[ .- +1]" 1
302 1 35 ASP HB3 1 43 ILE HA . . 4.720 2.794 2.317 4.374 . 0 0 "[ . 1]" 1
303 1 35 ASP HB2 2 59 PHE HE1 . . 4.750 4.347 2.197 5.638 0.888 9 1 "[ . +1]" 1
304 1 36 SER H 1 37 ASP H . . 3.450 2.733 2.346 3.142 . 0 0 "[ . 1]" 1
305 1 37 ASP H 1 38 CYS H . . 4.730 2.681 2.378 2.953 . 0 0 "[ . 1]" 1
306 1 38 CYS HA 1 39 PRO HD2 . . 4.390 2.236 2.148 2.288 . 0 0 "[ . 1]" 1
307 1 38 CYS HA 1 39 PRO HD3 . . 4.280 2.467 2.400 2.635 . 0 0 "[ . 1]" 1
308 1 38 CYS HB3 1 39 PRO HD2 . . 4.540 4.225 3.903 4.602 0.062 5 0 "[ . 1]" 1
309 1 38 CYS HB3 1 42 CYS HB2 . . 4.080 2.543 2.213 3.539 . 0 0 "[ . 1]" 1
310 1 38 CYS HB3 1 42 CYS HB3 . . 4.500 3.805 3.107 4.531 0.031 7 0 "[ . 1]" 1
311 1 38 CYS HB3 1 50 CYS HB3 . . 4.830 4.540 4.075 5.102 0.272 7 0 "[ . 1]" 1
312 1 39 PRO HA 1 40 GLY H . . 4.350 2.382 2.257 2.436 . 0 0 "[ . 1]" 1
313 1 39 PRO HB2 1 40 GLY H . . 4.670 2.740 2.601 3.143 . 0 0 "[ . 1]" 1
314 1 41 ALA H 1 42 CYS H . . 4.140 2.113 1.921 2.660 . 0 0 "[ . 1]" 1
315 1 41 ALA HA 2 55 LYS HB2 . . 3.880 2.763 2.077 3.567 . 0 0 "[ . 1]" 1
316 1 41 ALA HA 2 55 LYS HG3 . . 4.270 3.410 2.354 4.301 0.031 9 0 "[ . 1]" 1
317 1 42 CYS HB3 1 43 ILE H . . 4.960 2.885 2.179 3.856 . 0 0 "[ . 1]" 1
318 1 42 CYS HB3 1 50 CYS HB3 . . 4.400 2.230 2.067 2.573 . 0 0 "[ . 1]" 1
319 1 42 CYS HB3 1 51 GLY H . . 4.950 3.975 3.227 5.163 0.213 9 0 "[ . 1]" 1
320 1 43 ILE HA 1 44 CYS H . . 3.340 2.246 2.186 2.348 . 0 0 "[ . 1]" 1
321 1 43 ILE HB 1 44 CYS H . . 4.580 2.672 2.515 2.778 . 0 0 "[ . 1]" 1
322 1 43 ILE HG12 1 44 CYS H . . 4.690 4.629 3.251 5.046 0.356 7 0 "[ . 1]" 1
323 1 43 ILE MD 1 45 ARG HG2 . . 4.540 2.878 2.489 3.596 . 0 0 "[ . 1]" 1
324 1 43 ILE MD 1 45 ARG HG3 . . 4.920 3.182 2.762 3.911 . 0 0 "[ . 1]" 1
325 1 43 ILE MD 1 51 GLY H . . 4.520 3.737 3.053 4.369 . 0 0 "[ . 1]" 1
326 1 44 CYS HA 1 45 ARG H . . 4.180 2.267 2.206 2.342 . 0 0 "[ . 1]" 1
327 1 44 CYS HA 1 50 CYS HA . . 4.450 2.620 2.220 2.923 . 0 0 "[ . 1]" 1
328 1 45 ARG HB2 1 49 TYR H . . 4.500 3.264 3.074 3.853 . 0 0 "[ . 1]" 1
329 1 45 ARG HB3 1 46 GLY H . . 4.490 2.336 2.161 2.462 . 0 0 "[ . 1]" 1
330 1 45 ARG HB3 1 47 ASN H . . 4.840 3.128 2.525 3.698 . 0 0 "[ . 1]" 1
331 1 45 ARG HG3 1 51 GLY H . . 4.920 3.032 2.134 3.791 . 0 0 "[ . 1]" 1
332 1 45 ARG HD3 1 51 GLY HA3 . . 4.680 3.005 2.291 4.657 . 0 0 "[ . 1]" 1
333 1 46 GLY HA3 1 47 ASN H . . 4.910 3.038 2.749 3.249 . 0 0 "[ . 1]" 1
334 1 48 GLY H 1 49 TYR H . . 3.260 2.560 2.406 2.718 . 0 0 "[ . 1]" 1
335 1 49 TYR HA 1 50 CYS H . . 3.200 2.240 2.154 2.322 . 0 0 "[ . 1]" 1
336 1 50 CYS HA 1 51 GLY H . . 3.130 2.144 1.988 2.424 . 0 0 "[ . 1]" 1
337 2 31 LEU HA 2 32 VAL H . . 4.440 2.628 2.583 2.700 . 0 0 "[ . 1]" 1
338 2 31 LEU HB3 2 32 VAL H . . 4.550 2.388 2.320 2.482 . 0 0 "[ . 1]" 1
339 2 31 LEU HB3 2 51 THR HB . . 4.310 3.390 3.068 3.779 . 0 0 "[ . 1]" 1
340 2 31 LEU HB3 2 52 TYR H . . 4.950 4.821 4.313 5.325 0.375 5 0 "[ . 1]" 1
341 2 31 LEU MD1 2 51 THR HB . . 4.020 3.133 2.343 3.668 . 0 0 "[ . 1]" 1
342 2 31 LEU MD1 2 51 THR HG1 . . 4.370 4.005 3.128 4.725 0.355 7 0 "[ . 1]" 1
343 2 32 VAL HA 2 33 ARG H . . 4.430 2.441 2.369 2.494 . 0 0 "[ . 1]" 1
344 2 32 VAL HB 2 33 ARG H . . 4.470 2.461 2.240 2.767 . 0 0 "[ . 1]" 1
345 2 32 VAL HB 2 111 LEU HB3 . . 4.940 2.231 2.059 2.710 . 0 0 "[ . 1]" 1
346 2 32 VAL HB 2 111 LEU MD1 . . 4.630 2.346 2.140 2.730 . 0 0 "[ . 1]" 1
347 2 32 VAL MG1 2 113 VAL HA . . 4.270 4.007 3.547 4.223 . 0 0 "[ . 1]" 1
348 2 32 VAL MG2 2 57 VAL MG2 . . 4.830 2.298 1.916 2.815 . 0 0 "[ . 1]" 1
349 2 32 VAL MG2 2 111 LEU MD1 . . 4.750 2.266 1.987 2.757 . 0 0 "[ . 1]" 1
350 2 32 VAL MG2 2 111 LEU MD2 . . 4.900 2.495 2.245 2.767 . 0 0 "[ . 1]" 1
351 2 32 VAL MG2 2 34 PRO HD3 . . 4.690 2.803 2.628 3.096 . 0 0 "[ . 1]" 1
352 2 32 VAL MG2 2 52 TYR HB2 . . 4.660 3.715 2.749 4.155 . 0 0 "[ . 1]" 1
353 2 33 ARG HA 2 34 PRO HD2 . . 4.260 2.088 2.049 2.197 . 0 0 "[ . 1]" 1
354 2 33 ARG HA 2 34 PRO HD3 . . 4.420 2.824 2.599 2.931 . 0 0 "[ . 1]" 1
355 2 33 ARG HA 2 51 THR HA . . 4.940 3.681 3.533 4.138 . 0 0 "[ . 1]" 1
356 2 33 ARG HB2 2 112 VAL HB . . 4.240 2.840 2.153 4.030 . 0 0 "[ . 1]" 1
357 2 33 ARG HG2 2 51 THR HA . . 4.760 4.639 4.482 4.831 0.071 6 0 "[ . 1]" 1
358 2 33 ARG HG2 2 51 THR MG . . 4.060 2.937 2.561 3.355 . 0 0 "[ . 1]" 1
359 2 33 ARG HG3 2 51 THR MG . . 4.370 4.075 3.618 4.405 0.035 6 0 "[ . 1]" 1
360 2 34 PRO HA 2 35 LYS H . . 4.120 2.434 2.365 2.586 . 0 0 "[ . 1]" 1
361 2 34 PRO HA 2 111 LEU HA . . 4.470 3.565 3.284 3.709 . 0 0 "[ . 1]" 1
362 2 34 PRO HA 2 111 LEU MD2 . . 3.990 2.075 1.965 2.179 . 0 0 "[ . 1]" 1
363 2 34 PRO HB2 2 39 LEU H . . 4.960 3.851 3.578 4.009 . 0 0 "[ . 1]" 1
364 2 34 PRO HB2 2 39 LEU HA . . 4.610 4.343 4.108 4.684 0.074 7 0 "[ . 1]" 1
365 2 34 PRO HB2 2 39 LEU HB2 . . 4.420 4.182 3.765 4.436 0.016 7 0 "[ . 1]" 1
366 2 34 PRO HB2 2 39 LEU MD1 . . 4.810 4.202 3.541 4.848 0.038 7 0 "[ . 1]" 1
367 2 34 PRO HB3 2 38 LEU HB3 . . 4.400 4.159 3.712 4.435 0.035 4 0 "[ . 1]" 1
368 2 34 PRO HB3 2 38 LEU HG . . 4.300 4.119 3.756 4.333 0.033 7 0 "[ . 1]" 1
369 2 34 PRO HB3 2 38 LEU MD2 . . 4.620 2.879 2.397 3.173 . 0 0 "[ . 1]" 1
370 2 35 LYS HA 2 36 PRO HD2 . . 4.950 2.456 2.307 2.546 . 0 0 "[ . 1]" 1
371 2 35 LYS HA 2 36 PRO HD3 . . 4.150 2.514 2.428 2.680 . 0 0 "[ . 1]" 1
372 2 35 LYS HB3 2 36 PRO HD2 . . 4.100 2.447 2.203 2.691 . 0 0 "[ . 1]" 1
373 2 35 LYS HD2 2 110 ASN HA . . 4.230 3.549 2.231 4.432 0.202 10 0 "[ . 1]" 1
374 2 36 PRO HA 2 39 LEU HB3 . . 4.570 2.613 2.291 2.849 . 0 0 "[ . 1]" 1
375 2 36 PRO HB2 2 37 LEU H . . 4.600 3.634 3.543 3.732 . 0 0 "[ . 1]" 1
376 2 37 LEU H 2 38 LEU H . . 4.840 2.721 2.627 2.872 . 0 0 "[ . 1]" 1
377 2 37 LEU HA 2 40 LYS HB3 . . 4.640 3.708 3.377 3.927 . 0 0 "[ . 1]" 1
378 2 37 LEU HA 2 85 LEU MD1 . . 4.720 3.946 3.151 4.599 . 0 0 "[ . 1]" 1
379 2 37 LEU HB2 2 38 LEU H . . 4.660 2.658 2.282 2.861 . 0 0 "[ . 1]" 1
380 2 37 LEU HB2 2 89 LEU HB2 . . 4.890 4.629 4.455 4.937 0.047 6 0 "[ . 1]" 1
381 2 37 LEU HB2 2 89 LEU HB3 . . 4.580 3.685 3.162 4.068 . 0 0 "[ . 1]" 1
382 2 37 LEU HB3 2 85 LEU MD1 . . 4.620 3.492 2.632 4.405 . 0 0 "[ . 1]" 1
383 2 37 LEU HB3 2 89 LEU HB3 . . 4.370 3.870 3.504 4.370 . 0 0 "[ . 1]" 1
384 2 37 LEU HB3 2 89 LEU MD2 . . 4.700 3.703 3.026 4.418 . 0 0 "[ . 1]" 1
385 2 37 LEU MD1 2 89 LEU HB3 . . 4.740 3.429 2.464 5.157 0.417 5 0 "[ . 1]" 1
386 2 37 LEU MD1 2 85 LEU MD1 . . 4.950 3.560 2.308 4.250 . 0 0 "[ . 1]" 1
387 2 38 LEU H 2 39 LEU H . . 4.790 2.805 2.611 3.011 . 0 0 "[ . 1]" 1
388 2 38 LEU H 2 89 LEU MD2 . . 4.940 3.435 2.789 3.850 . 0 0 "[ . 1]" 1
389 2 38 LEU HA 2 41 LEU HB3 . . 4.410 3.001 2.883 3.305 . 0 0 "[ . 1]" 1
390 2 38 LEU HA 2 89 LEU MD2 . . 4.950 3.394 3.041 3.584 . 0 0 "[ . 1]" 1
391 2 38 LEU HB2 2 89 LEU MD1 . . 4.260 4.182 4.002 4.385 0.125 10 0 "[ . 1]" 1
392 2 38 LEU HB2 2 89 LEU MD2 . . 4.750 2.300 2.096 2.691 . 0 0 "[ . 1]" 1
393 2 38 LEU HB2 2 110 ASN HB3 . . 4.800 4.673 4.397 4.869 0.069 1 0 "[ . 1]" 1
394 2 38 LEU HB3 2 39 LEU H . . 4.780 2.773 2.673 2.849 . 0 0 "[ . 1]" 1
395 2 38 LEU HG 2 42 LEU HG . . 4.990 2.459 2.168 2.824 . 0 0 "[ . 1]" 1
396 2 38 LEU HG 2 42 LEU MD1 . . 4.400 2.395 2.143 2.895 . 0 0 "[ . 1]" 1
397 2 38 LEU MD1 2 42 LEU HG . . 4.650 2.887 2.504 3.420 . 0 0 "[ . 1]" 1
398 2 38 LEU MD1 2 61 LEU MD2 . . 4.960 3.691 2.997 4.334 . 0 0 "[ . 1]" 1
399 2 38 LEU MD1 2 41 LEU MD1 . . 4.810 3.426 2.751 4.107 . 0 0 "[ . 1]" 1
400 2 38 LEU MD2 2 57 VAL MG1 . . 4.760 2.510 2.248 3.376 . 0 0 "[ . 1]" 1
401 2 38 LEU MD2 2 111 LEU MD2 . . 4.940 3.384 3.168 3.540 . 0 0 "[ . 1]" 1
402 2 39 LEU H 2 40 LYS H . . 4.960 3.020 2.927 3.065 . 0 0 "[ . 1]" 1
403 2 39 LEU HA 2 42 LEU HB2 . . 4.820 2.479 2.268 2.672 . 0 0 "[ . 1]" 1
404 2 39 LEU HA 2 42 LEU MD1 . . 4.710 2.374 2.220 2.581 . 0 0 "[ . 1]" 1
405 2 39 LEU HB3 2 40 LYS H . . 4.490 2.669 2.566 2.760 . 0 0 "[ . 1]" 1
406 2 39 LEU HG 2 43 LYS QG . . 4.370 3.861 2.738 5.574 1.204 7 1 "[ . + 1]" 1
407 2 39 LEU MD1 2 50 ASP HA . . 4.560 2.271 1.892 3.258 . 0 0 "[ . 1]" 1
408 2 40 LYS H 2 41 LEU H . . 4.880 2.716 2.605 2.816 . 0 0 "[ . 1]" 1
409 2 40 LYS HA 2 43 LYS HB2 . . 4.750 3.424 2.523 5.392 0.642 5 1 "[ + 1]" 1
410 2 40 LYS HB3 2 41 LEU H . . 4.700 2.941 2.827 3.115 . 0 0 "[ . 1]" 1
411 2 40 LYS HB3 2 85 LEU MD2 . . 4.890 2.082 1.965 2.435 . 0 0 "[ . 1]" 1
412 2 40 LYS HG2 2 85 LEU MD2 . . 4.540 2.965 2.525 3.593 . 0 0 "[ . 1]" 1
413 2 41 LEU H 2 42 LEU H . . 4.940 2.645 2.564 2.738 . 0 0 "[ . 1]" 1
414 2 41 LEU H 2 85 LEU MD2 . . 4.910 2.448 2.284 2.922 . 0 0 "[ . 1]" 1
415 2 41 LEU HA 2 85 LEU MD2 . . 4.780 3.028 2.542 3.289 . 0 0 "[ . 1]" 1
416 2 41 LEU HB2 2 85 LEU HG . . 4.420 3.839 3.237 4.380 . 0 0 "[ . 1]" 1
417 2 41 LEU HB2 2 85 LEU MD2 . . 5.000 2.076 2.052 2.097 . 0 0 "[ . 1]" 1
418 2 41 LEU HB3 2 42 LEU H . . 4.420 2.507 2.101 2.651 . 0 0 "[ . 1]" 1
419 2 41 LEU MD1 2 61 LEU MD1 . . 4.890 3.177 2.690 4.022 . 0 0 "[ . 1]" 1
420 2 41 LEU MD1 2 64 TYR HD2 . . 4.860 3.180 2.588 3.884 . 0 0 "[ . 1]" 1
421 2 41 LEU MD1 2 86 LEU HB2 . . 4.600 4.302 2.808 5.201 0.601 6 2 "[ -+ 1]" 1
422 2 41 LEU MD1 2 86 LEU HA . . 4.800 4.614 3.888 5.177 0.377 6 0 "[ . 1]" 1
423 2 41 LEU MD2 2 61 LEU HA . . 4.550 3.209 2.744 3.762 . 0 0 "[ . 1]" 1
424 2 41 LEU MD2 2 64 TYR HB2 . . 4.500 4.007 3.531 4.781 0.281 5 0 "[ . 1]" 1
425 2 41 LEU MD2 2 42 LEU HG . . 4.860 3.197 2.700 4.308 . 0 0 "[ . 1]" 1
426 2 41 LEU MD2 2 42 LEU HA . . 4.620 3.171 2.591 4.254 . 0 0 "[ . 1]" 1
427 2 42 LEU H 2 43 LYS H . . 4.910 2.981 2.885 3.077 . 0 0 "[ . 1]" 1
428 2 42 LEU HB2 2 43 LYS H . . 4.520 2.554 2.463 2.692 . 0 0 "[ . 1]" 1
429 2 42 LEU MD1 2 57 VAL MG1 . . 4.280 3.407 2.843 3.789 . 0 0 "[ . 1]" 1
430 2 42 LEU MD2 2 57 VAL HA . . 4.470 3.050 2.486 3.837 . 0 0 "[ . 1]" 1
431 2 42 LEU MD2 2 61 LEU HB2 . . 4.750 3.815 3.317 4.295 . 0 0 "[ . 1]" 1
432 2 42 LEU MD2 2 60 TYR HB2 . . 4.300 2.546 2.207 3.102 . 0 0 "[ . 1]" 1
433 2 43 LYS H 2 44 SER H . . 4.850 2.904 2.810 2.960 . 0 0 "[ . 1]" 1
434 2 43 LYS HA 2 46 GLY H . . 4.800 3.281 2.869 3.634 . 0 0 "[ . 1]" 1
435 2 43 LYS QG 2 48 GLN HA . . 4.940 2.510 1.937 4.062 . 0 0 "[ . 1]" 1
436 2 43 LYS HD3 2 48 GLN HA . . 4.690 4.655 2.860 5.508 0.818 7 1 "[ . + 1]" 1
437 2 45 VAL HB 2 60 TYR QD . . 4.560 2.774 2.185 3.207 . 0 0 "[ . 1]" 1
438 2 45 VAL QG 2 60 TYR QD . . 4.390 2.209 2.068 2.315 . 0 0 "[ . 1]" 1
439 2 45 VAL QG 2 63 GLN HB3 . . 4.920 3.379 2.669 4.138 . 0 0 "[ . 1]" 1
440 2 45 VAL QG 2 64 TYR HA . . 4.850 3.329 2.881 3.693 . 0 0 "[ . 1]" 1
441 2 45 VAL QG 2 64 TYR HB2 . . 4.280 2.387 1.956 2.799 . 0 0 "[ . 1]" 1
442 2 46 GLY H 2 47 ALA H . . 4.610 2.571 2.440 2.805 . 0 0 "[ . 1]" 1
443 2 49 LYS HA 2 50 ASP H . . 4.350 2.261 2.110 2.507 . 0 0 "[ . 1]" 1
444 2 49 LYS HB2 2 50 ASP H . . 4.550 4.414 4.260 4.677 0.127 8 0 "[ . 1]" 1
445 2 49 LYS HB2 2 51 THR H . . 4.680 4.568 4.239 5.061 0.381 6 0 "[ . 1]" 1
446 2 49 LYS HG3 2 51 THR H . . 4.770 3.309 2.266 4.465 . 0 0 "[ . 1]" 1
447 2 51 THR HA 2 52 TYR H . . 4.380 2.195 2.120 2.299 . 0 0 "[ . 1]" 1
448 2 51 THR HA 2 52 TYR HD2 . . 4.750 4.554 4.068 5.190 0.440 5 0 "[ . 1]" 1
449 2 51 THR HB 2 52 TYR H . . 4.830 3.320 2.805 4.086 . 0 0 "[ . 1]" 1
450 2 52 TYR HA 2 53 THR H . . 4.550 2.622 2.395 2.854 . 0 0 "[ . 1]" 1
451 2 52 TYR HB2 2 57 VAL MG2 . . 4.370 2.701 2.278 3.293 . 0 0 "[ . 1]" 1
452 2 52 TYR HB3 2 53 THR H . . 4.550 2.117 1.863 2.377 . 0 0 "[ . 1]" 1
453 2 52 TYR HB3 2 56 GLU QB . . 4.260 2.190 2.005 2.430 . 0 0 "[ . 1]" 1
454 2 52 TYR HB3 2 57 VAL MG2 . . 4.640 2.828 2.543 3.452 . 0 0 "[ . 1]" 1
455 2 52 TYR HD1 2 56 GLU QB . . 4.600 2.437 2.164 2.978 . 0 0 "[ . 1]" 1
456 2 53 THR H 2 56 GLU QB . . 4.170 2.054 1.892 2.273 . 0 0 "[ . 1]" 1
457 2 53 THR HA 2 54 MET H . . 4.410 2.572 2.450 2.846 . 0 0 "[ . 1]" 1
458 2 53 THR HB 2 54 MET H . . 4.450 2.928 2.121 3.902 . 0 0 "[ . 1]" 1
459 2 53 THR HG1 2 55 LYS HB3 . . 4.740 4.363 2.755 5.635 0.895 4 3 "[ +*- 1]" 1
460 2 53 THR HG1 2 56 GLU HG3 . . 4.730 3.124 2.389 4.302 . 0 0 "[ . 1]" 1
461 2 54 MET HA 2 57 VAL HB . . 4.760 3.518 3.120 4.026 . 0 0 "[ . 1]" 1
462 2 54 MET HB2 2 55 LYS H . . 4.540 2.634 2.412 3.094 . 0 0 "[ . 1]" 1
463 2 54 MET HB3 2 58 LEU MD2 . . 4.880 4.277 3.633 4.801 . 0 0 "[ . 1]" 1
464 2 55 LYS H 2 56 GLU H . . 4.860 2.865 2.734 3.004 . 0 0 "[ . 1]" 1
465 2 55 LYS HA 2 58 LEU HB2 . . 4.520 3.265 2.989 3.788 . 0 0 "[ . 1]" 1
466 2 55 LYS HB3 2 56 GLU H . . 4.800 2.740 2.416 4.118 . 0 0 "[ . 1]" 1
467 2 55 LYS HE2 2 59 PHE HB2 . . 4.400 3.292 2.217 4.525 0.125 10 0 "[ . 1]" 1
468 2 56 GLU H 2 57 VAL H . . 4.820 3.046 2.892 3.182 . 0 0 "[ . 1]" 1
469 2 56 GLU HA 2 59 PHE HB3 . . 4.730 2.108 2.033 2.221 . 0 0 "[ . 1]" 1
470 2 56 GLU QB 2 57 VAL H . . 4.570 2.623 2.378 2.893 . 0 0 "[ . 1]" 1
471 2 56 GLU QB 2 60 TYR QD . . 4.960 2.900 2.556 3.246 . 0 0 "[ . 1]" 1
472 2 57 VAL H 2 58 LEU H . . 4.910 2.874 2.691 3.003 . 0 0 "[ . 1]" 1
473 2 57 VAL HB 2 58 LEU H . . 4.590 2.689 2.391 3.105 . 0 0 "[ . 1]" 1
474 2 57 VAL HB 2 58 LEU MD2 . . 4.880 2.539 2.422 2.641 . 0 0 "[ . 1]" 1
475 2 57 VAL MG1 2 107 ILE MG . . 4.980 2.980 2.706 3.512 . 0 0 "[ . 1]" 1
476 2 57 VAL MG1 2 111 LEU MD2 . . 4.810 2.864 2.205 3.880 . 0 0 "[ . 1]" 1
477 2 58 LEU H 2 59 PHE H . . 4.700 2.509 2.358 2.631 . 0 0 "[ . 1]" 1
478 2 58 LEU HA 2 61 LEU HB3 . . 4.470 2.345 2.197 2.678 . 0 0 "[ . 1]" 1
479 2 58 LEU MD1 2 107 ILE MD . . 4.610 2.314 1.906 3.303 . 0 0 "[ . 1]" 1
480 2 58 LEU MD1 2 61 LEU MD2 . . 4.600 2.266 2.179 2.440 . 0 0 "[ . 1]" 1
481 2 58 LEU MD2 2 107 ILE MG . . 4.770 2.640 2.086 3.336 . 0 0 "[ . 1]" 1
482 2 59 PHE H 2 60 TYR H . . 4.920 2.988 2.899 3.159 . 0 0 "[ . 1]" 1
483 2 59 PHE HB3 2 60 TYR H . . 4.480 2.299 2.227 2.404 . 0 0 "[ . 1]" 1
484 2 60 TYR H 2 61 LEU H . . 4.840 2.835 2.774 2.905 . 0 0 "[ . 1]" 1
485 2 60 TYR HA 2 63 GLN HB3 . . 4.710 3.136 2.533 4.606 . 0 0 "[ . 1]" 1
486 2 61 LEU HA 2 64 TYR HB3 . . 4.440 3.120 2.988 3.277 . 0 0 "[ . 1]" 1
487 2 61 LEU HB3 2 62 GLY H . . 4.600 2.468 2.376 2.538 . 0 0 "[ . 1]" 1
488 2 61 LEU HG 2 65 ILE MD . . 4.960 3.235 2.149 4.826 . 0 0 "[ . 1]" 1
489 2 61 LEU MD1 2 65 ILE MD . . 4.970 2.915 2.253 4.189 . 0 0 "[ . 1]" 1
490 2 61 LEU MD1 2 64 TYR HB3 . . 4.680 3.392 3.018 4.008 . 0 0 "[ . 1]" 1
491 2 61 LEU MD2 2 90 PHE HZ . . 4.800 3.729 2.801 4.461 . 0 0 "[ . 1]" 1
492 2 61 LEU MD2 2 107 ILE MD . . 4.480 3.992 2.906 4.492 0.012 4 0 "[ . 1]" 1
493 2 62 GLY H 2 63 GLN H . . 4.950 2.790 2.715 2.896 . 0 0 "[ . 1]" 1
494 2 62 GLY HA3 2 63 GLN H . . 4.650 2.734 2.643 2.797 . 0 0 "[ . 1]" 1
495 2 63 GLN H 2 64 TYR H . . 4.950 2.789 2.693 2.903 . 0 0 "[ . 1]" 1
496 2 63 GLN HA 2 66 MET QB . . 4.100 2.326 2.147 2.655 . 0 0 "[ . 1]" 1
497 2 63 GLN HB3 2 64 TYR H . . 4.980 2.897 2.502 3.597 . 0 0 "[ . 1]" 1
498 2 63 GLN HG3 2 67 THR HG1 . . 3.930 3.092 2.541 4.387 0.457 9 0 "[ . 1]" 1
499 2 64 TYR HB3 2 65 ILE H . . 4.440 2.427 2.324 2.524 . 0 0 "[ . 1]" 1
500 2 64 TYR HD2 2 86 LEU MD2 . . 4.890 4.535 3.650 5.525 0.635 7 2 "[ . + -1]" 1
501 2 65 ILE H 2 66 MET H . . 4.830 2.791 2.749 2.881 . 0 0 "[ . 1]" 1
502 2 65 ILE HA 2 70 LEU HB2 . . 4.800 3.097 2.699 3.811 . 0 0 "[ . 1]" 1
503 2 65 ILE HB 2 66 MET H . . 4.850 2.720 2.636 2.969 . 0 0 "[ . 1]" 1
504 2 65 ILE MG 2 79 VAL MG2 . . 4.900 3.403 2.900 4.014 . 0 0 "[ . 1]" 1
505 2 65 ILE MG 2 71 TYR HB3 . . 4.830 3.288 2.271 5.127 0.297 7 0 "[ . 1]" 1
506 2 65 ILE MG 2 70 LEU HB2 . . 4.220 2.161 1.985 2.418 . 0 0 "[ . 1]" 1
507 2 65 ILE MD 2 79 VAL MG1 . . 4.820 2.884 2.020 4.321 . 0 0 "[ . 1]" 1
508 2 66 MET HA 2 71 TYR QD . . 4.790 3.117 2.747 4.021 . 0 0 "[ . 1]" 1
509 2 67 THR H 2 69 ARG H . . 4.750 4.200 4.077 4.463 . 0 0 "[ . 1]" 1
510 2 67 THR HA 2 69 ARG HG3 . . 4.840 4.898 4.391 5.544 0.704 5 2 "[ + - 1]" 1
511 2 68 LYS H 2 69 ARG H . . 4.400 2.674 2.551 2.771 . 0 0 "[ . 1]" 1
512 2 68 LYS HB3 2 70 LEU HG . . 4.810 3.439 2.298 5.692 0.882 7 1 "[ . + 1]" 1
513 2 69 ARG HA 2 70 LEU H . . 4.580 2.656 2.536 2.760 . 0 0 "[ . 1]" 1
514 2 70 LEU H 2 71 TYR H . . 4.590 2.613 2.428 2.862 . 0 0 "[ . 1]" 1
515 2 70 LEU HB3 2 79 VAL MG1 . . 5.000 3.960 3.643 4.243 . 0 0 "[ . 1]" 1
516 2 71 TYR HA 2 72 ASP H . . 4.350 2.325 2.225 2.381 . 0 0 "[ . 1]" 1
517 2 71 TYR HA 2 79 VAL HA . . 4.150 3.877 3.588 4.015 . 0 0 "[ . 1]" 1
518 2 71 TYR HA 2 79 VAL MG2 . . 4.760 4.437 4.222 4.676 . 0 0 "[ . 1]" 1
519 2 71 TYR HB2 2 72 ASP H . . 4.650 3.235 2.916 4.225 . 0 0 "[ . 1]" 1
520 2 71 TYR HB3 2 79 VAL MG2 . . 4.960 4.379 3.794 5.089 0.129 4 0 "[ . 1]" 1
521 2 71 TYR QD 2 76 GLN QB . . 4.880 3.907 2.693 4.730 . 0 0 "[ . 1]" 1
522 2 72 ASP HA 2 73 GLU H . . 4.330 2.339 2.271 2.464 . 0 0 "[ . 1]" 1
523 2 72 ASP HB2 2 78 ILE HB . . 4.340 3.965 3.025 4.626 0.286 10 0 "[ . 1]" 1
524 2 72 ASP HB2 2 78 ILE MG . . 4.890 4.607 3.995 5.020 0.130 10 0 "[ . 1]" 1
525 2 72 ASP HB3 2 75 GLN H . . 4.830 2.329 1.822 2.609 . 0 0 "[ . 1]" 1
526 2 72 ASP HB3 2 76 GLN HA . . 4.710 4.163 3.781 5.152 0.442 7 0 "[ . 1]" 1
527 2 72 ASP HB3 2 78 ILE HB . . 4.480 4.063 3.398 5.117 0.637 7 1 "[ . + 1]" 1
528 2 73 GLU H 2 74 LYS H . . 4.740 2.663 2.452 2.962 . 0 0 "[ . 1]" 1
529 2 74 LYS H 2 75 GLN H . . 4.160 2.299 2.003 2.691 . 0 0 "[ . 1]" 1
530 2 74 LYS HB2 2 75 GLN HG3 . . 4.890 4.089 2.865 5.743 0.853 7 1 "[ . + 1]" 1
531 2 75 GLN HA 2 76 GLN H . . 4.570 2.640 2.557 2.729 . 0 0 "[ . 1]" 1
532 2 77 HIS H 2 78 ILE H . . 4.820 2.448 2.094 2.628 . 0 0 "[ . 1]" 1
533 2 77 HIS HA 2 97 VAL HB . . 4.870 3.699 2.956 4.668 . 0 0 "[ . 1]" 1
534 2 77 HIS HB2 2 97 VAL H . . 4.890 4.293 3.496 4.745 . 0 0 "[ . 1]" 1
535 2 77 HIS HB2 2 97 VAL HB . . 4.700 3.991 3.443 4.948 0.248 9 0 "[ . 1]" 1
536 2 77 HIS HB2 2 98 LYS H . . 4.810 4.382 3.813 4.694 . 0 0 "[ . 1]" 1
537 2 78 ILE HA 2 79 VAL H . . 4.200 2.233 2.155 2.317 . 0 0 "[ . 1]" 1
538 2 78 ILE HA 2 96 SER HA . . 4.370 3.390 2.647 3.848 . 0 0 "[ . 1]" 1
539 2 78 ILE MG 2 79 VAL H . . 4.900 2.613 2.382 2.988 . 0 0 "[ . 1]" 1
540 2 78 ILE MD 2 96 SER HA . . 4.350 3.353 2.693 3.740 . 0 0 "[ . 1]" 1
541 2 78 ILE MD 2 96 SER HB2 . . 4.600 3.652 2.879 4.092 . 0 0 "[ . 1]" 1
542 2 79 VAL H 2 95 PHE H . . 4.860 3.727 3.188 4.299 . 0 0 "[ . 1]" 1
543 2 79 VAL HA 2 80 TYR H . . 4.200 2.173 2.137 2.211 . 0 0 "[ . 1]" 1
544 2 79 VAL MG1 2 95 PHE HZ . . 4.890 2.594 2.335 2.816 . 0 0 "[ . 1]" 1
545 2 79 VAL MG1 2 80 TYR H . . 4.680 2.720 2.608 2.916 . 0 0 "[ . 1]" 1
546 2 79 VAL MG2 2 97 VAL MG2 . . 4.670 2.253 1.877 4.138 . 0 0 "[ . 1]" 1
547 2 80 TYR HA 2 81 CYS H . . 4.210 2.222 2.145 2.451 . 0 0 "[ . 1]" 1
548 2 80 TYR HA 2 94 SER HA . . 4.680 3.563 2.984 4.139 . 0 0 "[ . 1]" 1
549 2 81 CYS H 2 82 SER H . . 4.510 2.423 2.096 3.351 . 0 0 "[ . 1]" 1
550 2 81 CYS H 2 94 SER HA . . 4.280 2.590 2.281 2.982 . 0 0 "[ . 1]" 1
551 2 81 CYS HB3 2 87 GLY HA2 . . 4.230 3.321 2.854 4.275 0.045 1 0 "[ . 1]" 1
552 2 81 CYS HB3 2 87 GLY HA3 . . 4.780 3.877 3.382 4.990 0.210 1 0 "[ . 1]" 1
553 2 82 SER H 2 93 PRO HA . . 4.920 4.440 3.860 4.870 . 0 0 "[ . 1]" 1
554 2 82 SER HA 2 83 ASN H . . 4.190 2.219 2.168 2.299 . 0 0 "[ . 1]" 1
555 2 82 SER HA 2 93 PRO HA . . 4.730 3.165 2.944 3.348 . 0 0 "[ . 1]" 1
556 2 83 ASN H 2 84 ASP H . . 4.810 2.852 2.490 3.363 . 0 0 "[ . 1]" 1
557 2 83 ASN HA 2 84 ASP H . . 4.960 3.182 2.647 3.588 . 0 0 "[ . 1]" 1
558 2 84 ASP HA 2 85 LEU H . . 4.260 2.496 2.381 2.585 . 0 0 "[ . 1]" 1
559 2 84 ASP HB3 2 87 GLY H . . 4.710 3.352 2.991 3.815 . 0 0 "[ . 1]" 1
560 2 85 LEU HA 2 88 ASP HB2 . . 4.430 3.201 2.653 4.004 . 0 0 "[ . 1]" 1
561 2 85 LEU HB3 2 86 LEU H . . 4.690 3.167 2.939 3.571 . 0 0 "[ . 1]" 1
562 2 85 LEU HG 2 89 LEU MD2 . . 4.840 4.210 3.971 4.388 . 0 0 "[ . 1]" 1
563 2 85 LEU MD1 2 88 ASP HB2 . . 4.840 3.486 2.839 3.793 . 0 0 "[ . 1]" 1
564 2 86 LEU HA 2 89 LEU HG . . 4.260 2.664 2.335 2.978 . 0 0 "[ . 1]" 1
565 2 86 LEU HA 2 89 LEU MD2 . . 4.630 2.565 2.190 3.103 . 0 0 "[ . 1]" 1
566 2 86 LEU HB3 2 87 GLY H . . 4.600 3.574 3.160 3.863 . 0 0 "[ . 1]" 1
567 2 86 LEU MD1 2 89 LEU HG . . 4.570 3.815 3.199 4.912 0.342 9 0 "[ . 1]" 1
568 2 86 LEU MD1 2 89 LEU MD1 . . 4.640 3.640 2.691 4.894 0.254 9 0 "[ . 1]" 1
569 2 87 GLY HA3 2 88 ASP H . . 4.860 2.748 2.662 2.819 . 0 0 "[ . 1]" 1
570 2 89 LEU MD1 2 90 PHE HD1 . . 4.080 2.670 2.035 3.873 . 0 0 "[ . 1]" 1
571 2 90 PHE HB3 2 92 VAL MG2 . . 4.150 1.987 1.917 2.030 . 0 0 "[ . 1]" 1
572 2 90 PHE HD1 2 106 MET HB3 . . 4.910 3.175 2.202 4.886 . 0 0 "[ . 1]" 1
573 2 90 PHE HD2 2 95 PHE QD . . 4.750 3.904 2.975 4.561 . 0 0 "[ . 1]" 1
574 2 92 VAL HA 2 93 PRO HD2 . . 4.400 2.405 2.360 2.538 . 0 0 "[ . 1]" 1
575 2 92 VAL HA 2 93 PRO HD3 . . 4.320 2.495 2.415 2.624 . 0 0 "[ . 1]" 1
576 2 92 VAL HB 2 93 PRO HD2 . . 4.380 2.246 2.156 2.316 . 0 0 "[ . 1]" 1
577 2 92 VAL HB 2 94 SER H . . 4.690 2.844 2.617 3.113 . 0 0 "[ . 1]" 1
578 2 92 VAL MG2 2 95 PHE HB3 . . 4.720 2.795 2.603 2.929 . 0 0 "[ . 1]" 1
579 2 92 VAL MG2 2 95 PHE QD . . 4.960 3.653 3.263 3.984 . 0 0 "[ . 1]" 1
580 2 93 PRO HG2 2 94 SER H . . 4.560 2.491 2.215 2.899 . 0 0 "[ . 1]" 1
581 2 93 PRO HD2 2 94 SER H . . 4.720 2.959 2.855 3.163 . 0 0 "[ . 1]" 1
582 2 94 SER HA 2 95 PHE H . . 4.400 2.499 2.450 2.573 . 0 0 "[ . 1]" 1
583 2 94 SER HB2 2 95 PHE H . . 4.620 2.875 2.261 3.611 . 0 0 "[ . 1]" 1
584 2 95 PHE HA 2 96 SER H . . 4.300 2.505 2.384 2.689 . 0 0 "[ . 1]" 1
585 2 95 PHE HB2 2 96 SER H . . 4.630 2.479 2.294 2.618 . 0 0 "[ . 1]" 1
586 2 95 PHE HB2 2 103 ILE MD . . 4.960 3.271 2.665 4.285 . 0 0 "[ . 1]" 1
587 2 95 PHE QD 2 103 ILE MD . . 4.450 2.149 2.000 2.561 . 0 0 "[ . 1]" 1
588 2 96 SER HA 2 97 VAL H . . 4.190 2.244 2.221 2.274 . 0 0 "[ . 1]" 1
589 2 96 SER HB3 2 99 GLU HG3 . . 4.270 2.736 2.076 4.594 0.324 10 0 "[ . 1]" 1
590 2 97 VAL H 2 98 LYS H . . 4.800 2.740 2.583 2.935 . 0 0 "[ . 1]" 1
591 2 97 VAL HA 2 103 ILE MD . . 4.890 2.886 1.960 3.528 . 0 0 "[ . 1]" 1
592 2 97 VAL HB 2 98 LYS H . . 4.920 3.085 2.863 3.946 . 0 0 "[ . 1]" 1
593 2 98 LYS HA 2 100 HIS HD2 . . 4.590 4.026 3.188 4.608 0.018 1 0 "[ . 1]" 1
594 2 99 GLU HA 2 100 HIS H . . 4.550 2.714 2.527 2.819 . 0 0 "[ . 1]" 1
595 2 99 GLU HB3 2 102 LYS HB3 . . 4.220 2.235 2.057 2.640 . 0 0 "[ . 1]" 1
596 2 99 GLU HB3 2 102 LYS HD3 . . 4.350 3.814 2.453 4.953 0.603 5 2 "[ +- 1]" 1
597 2 100 HIS HB2 2 101 ARG H . . 4.300 2.944 2.447 3.693 . 0 0 "[ . 1]" 1
598 2 101 ARG H 2 102 LYS H . . 4.910 2.838 2.684 2.944 . 0 0 "[ . 1]" 1
599 2 101 ARG HA 2 104 TYR HB2 . . 4.700 2.873 2.477 3.139 . 0 0 "[ . 1]" 1
600 2 101 ARG HB3 2 102 LYS H . . 4.820 3.520 2.829 4.447 . 0 0 "[ . 1]" 1
601 2 102 LYS H 2 103 ILE H . . 4.820 2.370 2.033 2.579 . 0 0 "[ . 1]" 1
602 2 102 LYS HA 2 105 THR HB . . 4.430 3.296 2.342 4.521 0.091 3 0 "[ . 1]" 1
603 2 102 LYS HB3 2 103 ILE H . . 4.940 2.579 2.442 2.926 . 0 0 "[ . 1]" 1
604 2 102 LYS QG 2 103 ILE MD . . 4.540 4.143 3.494 5.320 0.780 9 2 "[ - . +1]" 1
605 2 103 ILE HA 2 106 MET HB2 . . 4.850 2.877 2.625 3.125 . 0 0 "[ . 1]" 1
606 2 103 ILE HB 2 104 TYR H . . 4.460 2.474 2.385 2.629 . 0 0 "[ . 1]" 1
607 2 103 ILE MG 2 107 ILE MD . . 4.780 2.204 1.896 3.251 . 0 0 "[ . 1]" 1
608 2 104 TYR H 2 105 THR H . . 4.920 3.011 2.924 3.163 . 0 0 "[ . 1]" 1
609 2 104 TYR HA 2 107 ILE HB . . 4.680 2.606 2.200 2.816 . 0 0 "[ . 1]" 1
610 2 104 TYR HA 2 107 ILE MD . . 4.990 2.785 1.972 4.567 . 0 0 "[ . 1]" 1
611 2 104 TYR HB3 2 108 TYR HD2 . . 4.440 3.061 2.680 3.612 . 0 0 "[ . 1]" 1
612 2 105 THR H 2 106 MET H . . 4.920 2.806 2.669 2.976 . 0 0 "[ . 1]" 1
613 2 105 THR HA 2 108 TYR HB2 . . 4.710 2.892 2.467 3.367 . 0 0 "[ . 1]" 1
614 2 105 THR HB 2 106 MET H . . 4.520 3.031 2.492 3.578 . 0 0 "[ . 1]" 1
615 2 106 MET H 2 107 ILE H . . 4.790 2.696 2.578 2.851 . 0 0 "[ . 1]" 1
616 2 107 ILE HA 2 110 ASN HB2 . . 4.510 3.098 2.607 3.438 . 0 0 "[ . 1]" 1
617 2 107 ILE HB 2 108 TYR H . . 4.660 2.537 2.367 2.656 . 0 0 "[ . 1]" 1
618 2 107 ILE MG 2 111 LEU HG . . 4.920 2.620 2.405 2.714 . 0 0 "[ . 1]" 1
619 2 107 ILE MG 2 111 LEU MD1 . . 4.590 1.908 1.871 1.962 . 0 0 "[ . 1]" 1
620 2 108 TYR HA 2 111 LEU HB2 . . 4.820 2.509 2.214 2.668 . 0 0 "[ . 1]" 1
621 2 108 TYR HA 2 111 LEU MD1 . . 4.630 3.461 2.628 3.885 . 0 0 "[ . 1]" 1
622 2 108 TYR HD1 2 111 LEU MD1 . . 4.330 3.611 3.160 3.955 . 0 0 "[ . 1]" 1
623 2 108 TYR HD1 2 113 VAL MG2 . . 4.840 2.428 2.228 3.005 . 0 0 "[ . 1]" 1
624 2 109 ARG H 2 110 ASN H . . 4.580 2.499 2.229 2.819 . 0 0 "[ . 1]" 1
625 2 109 ARG HB3 2 110 ASN H . . 4.860 4.000 3.748 4.312 . 0 0 "[ . 1]" 1
626 2 110 ASN H 2 111 LEU H . . 4.710 2.150 1.976 2.286 . 0 0 "[ . 1]" 1
627 2 111 LEU HA 2 112 VAL H . . 4.380 2.351 2.168 2.574 . 0 0 "[ . 1]" 1
628 2 111 LEU HB2 2 113 VAL MG2 . . 4.960 3.918 3.638 4.251 . 0 0 "[ . 1]" 1
629 2 111 LEU HB3 2 112 VAL H . . 4.930 2.749 2.140 3.540 . 0 0 "[ . 1]" 1
630 2 112 VAL HA 2 113 VAL H . . 4.140 2.173 2.133 2.244 . 0 0 "[ . 1]" 1
631 2 66 MET H 2 66 MET QG . . 4.220 3.858 3.416 3.955 . 0 0 "[ . 1]" 1
632 2 74 LYS QB 2 75 GLN H . . 4.660 2.920 2.502 3.806 . 0 0 "[ . 1]" 1
633 2 75 GLN H 2 75 GLN QB . . 3.910 2.559 2.295 2.902 . 0 0 "[ . 1]" 1
634 2 66 MET QB 2 68 LYS H . . 4.930 4.700 4.590 4.852 . 0 0 "[ . 1]" 1
635 2 68 LYS QG 2 69 ARG H . . 4.230 4.187 4.010 4.488 0.258 6 0 "[ . 1]" 1
636 2 66 MET QB 2 67 THR H . . 3.800 2.566 2.408 2.734 . 0 0 "[ . 1]" 1
637 2 98 LYS H 2 99 GLU QB . . 4.810 4.996 4.646 5.304 0.494 8 0 "[ . 1]" 1
638 2 46 GLY H 2 48 GLN H . . 4.400 5.131 4.969 5.419 1.019 4 10 [***+**-***] 1
639 2 55 LYS QG 2 56 GLU H . . 3.990 3.489 2.314 4.285 0.295 7 0 "[ . 1]" 1
640 1 33 ARG QB 1 34 ARG H . . 4.030 3.222 2.568 3.985 . 0 0 "[ . 1]" 1
641 1 22 GLY QA 1 23 GLY H . . 3.090 2.727 2.628 2.829 . 0 0 "[ . 1]" 1
642 1 41 ALA HA 1 42 CYS H . . 3.470 2.998 2.785 3.229 . 0 0 "[ . 1]" 1
643 1 42 CYS H 1 42 CYS QB . . 3.180 2.527 2.177 2.712 . 0 0 "[ . 1]" 1
644 1 46 GLY H 1 47 ASN H . . 3.730 3.104 2.967 3.409 . 0 0 "[ . 1]" 1
645 1 49 TYR H 1 49 TYR HB3 . . 3.910 3.843 3.762 3.932 0.022 4 0 "[ . 1]" 1
646 1 27 LYS QB 1 28 ILE H . . 4.280 3.972 3.859 4.001 . 0 0 "[ . 1]" 1
647 1 29 LEU H 1 30 GLN H . . 3.750 2.975 2.687 3.138 . 0 0 "[ . 1]" 1
648 1 29 LEU HA 1 30 GLN H . . 3.380 3.022 2.939 3.159 . 0 0 "[ . 1]" 1
649 1 45 ARG QB 1 46 GLY H . . 3.890 2.306 2.136 2.437 . 0 0 "[ . 1]" 1
650 1 45 ARG QG 1 46 GLY H . . 4.390 3.828 3.088 4.228 . 0 0 "[ . 1]" 1
651 1 43 ILE H 1 51 GLY H . . 4.290 3.791 2.707 5.318 1.028 7 1 "[ . + 1]" 1
652 1 50 CYS H 1 51 GLY H . . 4.620 4.517 4.208 4.628 0.008 1 0 "[ . 1]" 1
653 1 42 CYS QB 1 51 GLY H . . 4.470 3.883 3.184 5.029 0.559 9 1 "[ . +1]" 1
654 1 42 CYS QB 1 43 ILE H . . 3.510 2.793 2.127 3.624 0.114 7 0 "[ . 1]" 1
655 1 19 LEU QB 1 20 SER H . . 3.940 3.041 2.835 3.213 . 0 0 "[ . 1]" 1
656 1 16 TRP H 1 18 LEU H . . 3.540 4.306 4.186 4.538 0.998 5 10 [****+**-**] 1
657 1 45 ARG QG 1 47 ASN H . . 4.920 4.855 4.551 5.179 0.259 7 0 "[ . 1]" 1
658 1 45 ARG HA 1 47 ASN H . . 4.440 4.432 4.158 4.825 0.385 7 0 "[ . 1]" 1
659 1 47 ASN H 1 49 TYR H . . 4.290 3.678 3.281 4.168 . 0 0 "[ . 1]" 1
660 1 49 TYR H 1 50 CYS H . . 4.480 4.457 4.357 4.527 0.047 9 0 "[ . 1]" 1
661 1 23 GLY QA 1 24 VAL H . . 3.160 2.194 2.146 2.264 . 0 0 "[ . 1]" 1
662 1 24 VAL H 1 25 CYS H . . 4.810 4.486 4.267 4.573 . 0 0 "[ . 1]" 1
663 1 45 ARG H 1 46 GLY H . . 4.600 4.632 4.577 4.680 0.080 4 0 "[ . 1]" 1
664 1 11 SER QB 1 12 PHE H . . 4.360 2.655 2.079 3.330 . 0 0 "[ . 1]" 1
665 1 34 ARG QB 1 35 ASP H . . 4.110 2.922 2.251 3.455 . 0 0 "[ . 1]" 1
666 1 5 ALA H 1 6 SER H . . 4.410 3.845 3.707 4.050 . 0 0 "[ . 1]" 1
667 1 2 GLY QA 1 3 SER H . . 3.070 2.636 2.397 2.914 . 0 0 "[ . 1]" 1
668 1 14 GLU QB 1 15 TYR H . . 3.940 2.343 2.211 2.500 . 0 0 "[ . 1]" 1
669 1 40 GLY QA 1 41 ALA H . . 2.850 2.206 2.145 2.304 . 0 0 "[ . 1]" 1
670 1 40 GLY QA 1 42 CYS H . . 3.630 3.822 3.683 4.018 0.388 6 0 "[ . 1]" 1
671 1 44 CYS QB 1 45 ARG H . . 4.210 3.735 3.097 3.971 . 0 0 "[ . 1]" 1
672 1 49 TYR H 1 49 TYR QB . . 3.230 2.674 2.576 2.853 . 0 0 "[ . 1]" 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 9
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 6.706
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0335
_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 25 CYS 0.542 0.079 9 0 "[ . 1]"
1 32 CYS 0.063 0.023 2 0 "[ . 1]"
1 38 CYS 0.066 0.047 8 0 "[ . 1]"
1 42 CYS 0.542 0.079 9 0 "[ . 1]"
1 44 CYS 0.063 0.023 2 0 "[ . 1]"
1 50 CYS 0.066 0.047 8 0 "[ . 1]"
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 25 CYS SG 1 42 CYS SG . . 2.100 2.036 2.030 2.043 . 0 0 "[ . 1]" 2
2 1 32 CYS SG 1 44 CYS SG . . 2.100 2.027 2.012 2.033 . 0 0 "[ . 1]" 2
3 1 38 CYS SG 1 50 CYS SG . . 2.100 2.019 2.008 2.030 . 0 0 "[ . 1]" 2
4 1 25 CYS CB 1 42 CYS SG . . 3.100 3.065 2.997 3.105 0.005 10 0 "[ . 1]" 2
5 1 32 CYS CB 1 44 CYS SG . . 3.100 3.080 2.974 3.123 0.023 2 0 "[ . 1]" 2
6 1 38 CYS CB 1 50 CYS SG . . 3.100 2.993 2.911 3.066 . 0 0 "[ . 1]" 2
7 1 25 CYS SG 1 42 CYS CB . . 3.100 3.151 3.075 3.179 0.079 9 0 "[ . 1]" 2
8 1 32 CYS SG 1 44 CYS CB . . 3.100 3.034 3.012 3.064 . 0 0 "[ . 1]" 2
9 1 38 CYS SG 1 50 CYS CB . . 3.100 3.076 3.021 3.147 0.047 8 0 "[ . 1]" 2
stop_
save_