NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598885 |
2mwy   |
25377 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mwy
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 1215
_Distance_constraint_stats_list.Viol_count 2264
_Distance_constraint_stats_list.Viol_total 3481.018
_Distance_constraint_stats_list.Viol_max 0.957
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0769
_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 GLN 0.042 0.026 20 0 "[ . 1 . 2]"
1 2 ILE 1.000 0.176 15 0 "[ . 1 . 2]"
1 3 ASN 4.305 0.713 18 3 "[ . 1 - *. + 2]"
1 4 GLN 1.645 0.154 4 0 "[ . 1 . 2]"
1 5 VAL 0.908 0.361 6 0 "[ . 1 . 2]"
1 6 ARG 0.859 0.361 6 0 "[ . 1 . 2]"
1 7 PRO 0.881 0.318 12 0 "[ . 1 . 2]"
1 8 LYS 4.550 0.419 6 0 "[ . 1 . 2]"
1 9 LEU 3.569 0.657 9 1 "[ . +1 . 2]"
1 10 PRO 4.405 0.657 9 1 "[ . +1 . 2]"
1 11 LEU 6.213 0.419 6 0 "[ . 1 . 2]"
1 12 LEU 2.065 0.396 9 0 "[ . 1 . 2]"
1 13 LYS 3.439 0.581 2 2 "[ + . 1 .- 2]"
1 14 ILE 12.259 0.669 16 9 "[ ** .* -1* **.+ *2]"
1 15 LEU 7.844 0.669 16 9 "[ ** .* -1* **.+ *2]"
1 16 HIS 1.527 0.209 4 0 "[ . 1 . 2]"
1 17 ALA 0.384 0.045 6 0 "[ . 1 . 2]"
1 18 ALA 0.291 0.050 15 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.520 0.047 19 0 "[ . 1 . 2]"
1 21 GLN 4.466 0.607 4 1 "[ +. 1 . 2]"
1 22 GLY 3.682 0.607 4 1 "[ +. 1 . 2]"
1 23 GLU 2.805 0.563 12 1 "[ . 1 + . 2]"
1 24 MET 1.072 0.356 3 0 "[ . 1 . 2]"
1 25 PHE 1.902 0.151 12 0 "[ . 1 . 2]"
1 26 THR 0.143 0.036 18 0 "[ . 1 . 2]"
1 27 VAL 5.355 0.713 18 3 "[ . 1 - *. + 2]"
1 28 LYS 8.052 0.870 9 1 "[ . +1 . 2]"
1 29 GLU 1.070 0.151 12 0 "[ . 1 . 2]"
1 30 VAL 0.440 0.042 18 0 "[ . 1 . 2]"
1 31 MET 2.530 0.217 16 0 "[ . 1 . 2]"
1 32 HIS 0.429 0.033 20 0 "[ . 1 . 2]"
1 33 TYR 0.390 0.033 20 0 "[ . 1 . 2]"
1 34 LEU 5.122 0.584 16 1 "[ . 1 .+ 2]"
1 35 GLY 5.717 0.584 16 1 "[ . 1 .+ 2]"
1 36 GLN 0.417 0.069 15 0 "[ . 1 . 2]"
1 37 TYR 1.064 0.100 9 0 "[ . 1 . 2]"
1 38 ILE 1.561 0.115 15 0 "[ . 1 . 2]"
1 39 MET 0.847 0.100 9 0 "[ . 1 . 2]"
1 40 VAL 2.627 0.092 13 0 "[ . 1 . 2]"
1 41 LYS 2.433 0.408 4 0 "[ . 1 . 2]"
1 42 GLN 0.926 0.301 13 0 "[ . 1 . 2]"
1 43 LEU 0.657 0.248 13 0 "[ . 1 . 2]"
1 44 TYR 0.726 0.248 13 0 "[ . 1 . 2]"
1 45 ASP 0.419 0.114 8 0 "[ . 1 . 2]"
1 46 GLN 6.410 0.879 4 4 "[ - +. *1 *. 2]"
1 47 GLN 7.373 0.879 4 4 "[ - +. *1 *. 2]"
1 48 GLU 2.602 0.720 4 3 "[- +. 1 . * 2]"
1 49 GLN 2.490 0.452 8 0 "[ . 1 . 2]"
1 50 HIS 3.901 0.452 8 0 "[ . 1 . 2]"
1 51 MET 0.783 0.114 8 0 "[ . 1 . 2]"
1 52 VAL 1.037 0.383 18 0 "[ . 1 . 2]"
1 53 TYR 0.895 0.167 18 0 "[ . 1 . 2]"
1 54 CYS 0.122 0.066 19 0 "[ . 1 . 2]"
1 55 GLY 7.485 0.841 20 9 "[ ** * * 1**- * +]"
1 57 ASP 0.077 0.039 13 0 "[ . 1 . 2]"
1 58 LEU 0.620 0.241 9 0 "[ . 1 . 2]"
1 59 LEU 0.781 0.072 18 0 "[ . 1 . 2]"
1 60 GLY 0.751 0.072 18 0 "[ . 1 . 2]"
1 61 GLU 6.457 0.892 3 4 "[ -+ . 1* .* 2]"
1 62 LEU 5.438 0.892 3 4 "[ -+ . 1* .* 2]"
1 63 LEU 2.427 0.596 20 1 "[ . 1 . +]"
1 64 GLY 1.074 0.934 20 1 "[ . 1 . +]"
1 65 ARG 3.946 0.934 20 1 "[ . 1 . +]"
1 66 GLN 7.494 0.841 20 9 "[ ** * * 1**- * +]"
1 67 SER 0.160 0.042 19 0 "[ . 1 . 2]"
1 68 PHE 1.009 0.383 18 0 "[ . 1 . 2]"
1 69 SER 1.167 0.244 10 0 "[ . 1 . 2]"
1 70 VAL 0.275 0.240 18 0 "[ . 1 . 2]"
1 71 LYS 6.479 0.420 13 0 "[ . 1 . 2]"
1 72 ASP 0.105 0.040 14 0 "[ . 1 . 2]"
1 73 PRO 0.188 0.069 14 0 "[ . 1 . 2]"
1 74 SER 5.548 0.475 12 0 "[ . 1 . 2]"
1 75 PRO 6.676 0.475 12 0 "[ . 1 . 2]"
1 76 LEU 2.649 0.153 13 0 "[ . 1 . 2]"
1 77 TYR 1.160 0.085 8 0 "[ . 1 . 2]"
1 78 ASP 14.353 0.957 5 10 "[ + * **-***. * *2]"
1 79 MET 0.750 0.128 14 0 "[ . 1 . 2]"
1 80 LEU 6.229 0.535 6 1 "[ .+ 1 . 2]"
1 81 ARG 20.154 0.957 5 10 "[ + * **-***. * *2]"
1 82 LYS 5.091 0.190 15 0 "[ . 1 . 2]"
1 83 ASN 0.681 0.106 19 0 "[ . 1 . 2]"
1 84 LEU 0.587 0.078 8 0 "[ . 1 . 2]"
1 85 VAL 0.839 0.158 19 0 "[ . 1 . 2]"
1 86 THR 0.785 0.158 19 0 "[ . 1 . 2]"
1 87 LEU 0.195 0.036 19 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.032 0.017 10 0 "[ . 1 . 2]"
2 4 THR 4.754 0.267 17 0 "[ . 1 . 2]"
2 5 PHE 7.831 0.235 15 0 "[ . 1 . 2]"
2 6 SER 1.074 0.156 18 0 "[ . 1 . 2]"
2 7 ASP 3.373 0.267 17 0 "[ . 1 . 2]"
2 8 LEU 2.232 0.094 15 0 "[ . 1 . 2]"
2 9 TRP 15.347 0.235 15 0 "[ . 1 . 2]"
2 10 LYS 7.143 0.183 19 0 "[ . 1 . 2]"
2 11 LEU 0.469 0.076 8 0 "[ . 1 . 2]"
2 12 LEU 1.938 0.168 15 0 "[ . 1 . 2]"
2 13 PRO 0.519 0.188 19 0 "[ . 1 . 2]"
2 14 GLU 2.423 0.630 17 1 "[ . 1 . + 2]"
2 15 ASN 2.396 0.630 17 1 "[ . 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 57 ASP HB2 1 58 LEU H . . 5.290 3.778 3.637 4.074 . 0 0 "[ . 1 . 2]" 1
2 1 70 VAL H 2 9 TRP HZ3 . . 5.500 5.052 4.788 5.330 . 0 0 "[ . 1 . 2]" 1
3 1 68 PHE QD 1 70 VAL H . . 5.500 4.231 3.706 4.873 . 0 0 "[ . 1 . 2]" 1
4 1 5 VAL HA 1 87 LEU H . . 4.010 3.575 3.211 3.973 . 0 0 "[ . 1 . 2]" 1
5 1 87 LEU H 1 87 LEU QB . . 3.070 2.824 2.417 3.076 0.006 8 0 "[ . 1 . 2]" 1
6 1 87 LEU H 1 87 LEU QD . . 4.190 2.228 1.919 2.913 . 0 0 "[ . 1 . 2]" 1
7 1 43 LEU QD 1 53 TYR H . . 5.500 4.350 2.918 4.942 . 0 0 "[ . 1 . 2]" 1
8 1 53 TYR H 1 53 TYR QD . . 4.320 3.677 2.910 4.133 . 0 0 "[ . 1 . 2]" 1
9 1 44 TYR HA 1 53 TYR H . . 3.770 2.001 1.894 2.593 . 0 0 "[ . 1 . 2]" 1
10 1 52 VAL HA 1 53 TYR H . . 2.950 2.216 2.157 2.363 . 0 0 "[ . 1 . 2]" 1
11 1 53 TYR H 1 67 SER QB . . 5.220 4.609 4.294 4.961 . 0 0 "[ . 1 . 2]" 1
12 1 44 TYR H 1 53 TYR H . . 5.010 4.027 3.536 4.640 . 0 0 "[ . 1 . 2]" 1
13 1 15 LEU HB2 1 17 ALA H . . 5.470 5.191 5.087 5.288 . 0 0 "[ . 1 . 2]" 1
14 1 17 ALA H 1 18 ALA H . . 3.320 2.674 2.609 2.809 . 0 0 "[ . 1 . 2]" 1
15 1 16 HIS QB 1 17 ALA H . . 3.300 2.527 2.465 2.598 . 0 0 "[ . 1 . 2]" 1
16 1 14 ILE HA 1 17 ALA H . . 3.970 3.981 3.898 4.015 0.045 6 0 "[ . 1 . 2]" 1
17 1 15 LEU HB3 1 20 ALA H . . 5.190 4.247 3.957 4.795 . 0 0 "[ . 1 . 2]" 1
18 1 20 ALA H 1 21 GLN H . . 4.610 4.542 4.465 4.610 . 0 0 "[ . 1 . 2]" 1
19 1 44 TYR QE 1 46 GLN H . . 5.500 5.138 4.616 5.532 0.032 11 0 "[ . 1 . 2]" 1
20 1 7 PRO HA 1 85 VAL H . . 4.840 4.445 3.907 4.875 0.035 5 0 "[ . 1 . 2]" 1
21 1 16 HIS HA 1 20 ALA H . . 3.410 2.758 2.333 3.183 . 0 0 "[ . 1 . 2]" 1
22 1 17 ALA H 1 20 ALA H . . 4.910 4.688 4.417 4.913 0.003 18 0 "[ . 1 . 2]" 1
23 1 18 ALA MB 1 20 ALA H . . 4.640 3.420 3.088 3.857 . 0 0 "[ . 1 . 2]" 1
24 1 84 LEU HG 1 85 VAL H . . 5.170 4.628 2.711 5.221 0.051 14 0 "[ . 1 . 2]" 1
25 1 84 LEU HA 1 85 VAL H . . 3.300 2.199 2.139 2.278 . 0 0 "[ . 1 . 2]" 1
26 1 85 VAL H 1 85 VAL MG1 . . 3.970 3.506 1.867 3.777 . 0 0 "[ . 1 . 2]" 1
27 1 45 ASP H 1 51 MET QB . . 5.260 3.470 2.933 3.678 . 0 0 "[ . 1 . 2]" 1
28 1 48 GLU H 1 48 GLU QB . . 3.310 2.672 2.519 3.197 . 0 0 "[ . 1 . 2]" 1
29 1 46 GLN H 1 48 GLU H . . 4.610 4.183 4.016 4.339 . 0 0 "[ . 1 . 2]" 1
30 1 45 ASP QB 1 48 GLU H . . 3.760 2.495 1.935 3.153 . 0 0 "[ . 1 . 2]" 1
31 1 48 GLU H 1 49 GLN QG . . 5.180 4.820 4.039 5.045 . 0 0 "[ . 1 . 2]" 1
32 1 47 GLN QG 1 48 GLU H . . 4.570 3.789 2.218 4.587 0.017 9 0 "[ . 1 . 2]" 1
33 1 44 TYR QB 1 45 ASP H . . 3.730 2.327 1.987 2.488 . 0 0 "[ . 1 . 2]" 1
34 1 44 TYR QD 1 45 ASP H . . 4.230 3.471 2.955 3.792 . 0 0 "[ . 1 . 2]" 1
35 1 45 ASP H 1 52 VAL HA . . 4.140 3.465 2.967 3.823 . 0 0 "[ . 1 . 2]" 1
36 1 45 ASP H 1 45 ASP QB . . 3.310 2.194 2.116 2.312 . 0 0 "[ . 1 . 2]" 1
37 1 45 ASP H 1 52 VAL QG . . 5.400 4.416 3.955 4.762 . 0 0 "[ . 1 . 2]" 1
38 1 45 ASP H 1 51 MET QG . . 5.500 5.286 3.289 5.614 0.114 8 0 "[ . 1 . 2]" 1
39 1 3 ASN QB 1 27 VAL H . . 5.480 4.508 3.155 5.141 . 0 0 "[ . 1 . 2]" 1
40 1 38 ILE MG 1 52 VAL H . . 5.500 5.351 5.001 5.553 0.053 15 0 "[ . 1 . 2]" 1
41 1 79 MET HB3 1 80 LEU H . . 3.890 2.633 2.409 3.010 . 0 0 "[ . 1 . 2]" 1
42 1 80 LEU H 1 80 LEU HB2 . . 3.510 2.465 2.340 2.612 . 0 0 "[ . 1 . 2]" 1
43 1 80 LEU H 1 80 LEU HG . . 3.360 2.706 2.007 3.895 0.535 6 1 "[ .+ 1 . 2]" 1
44 1 3 ASN H 1 26 THR MG . . 4.780 3.907 3.039 4.691 . 0 0 "[ . 1 . 2]" 1
45 1 80 LEU H 1 80 LEU QD . . 4.020 2.631 1.783 3.154 . 0 0 "[ . 1 . 2]" 1
46 1 52 VAL H 1 52 VAL QG . . 4.010 2.498 1.806 2.874 . 0 0 "[ . 1 . 2]" 1
47 1 52 VAL H 1 52 VAL HB . . 3.440 2.510 2.330 3.502 0.062 18 0 "[ . 1 . 2]" 1
48 1 27 VAL H 1 29 GLU H . . 4.880 4.223 3.823 4.436 . 0 0 "[ . 1 . 2]" 1
49 1 52 VAL H 1 68 PHE QE . . 5.190 4.674 4.147 5.195 0.005 14 0 "[ . 1 . 2]" 1
50 1 52 VAL H 1 69 SER HA . . 4.150 2.568 1.945 3.175 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU HA 1 12 LEU H . . 3.740 3.568 3.466 3.744 0.004 6 0 "[ . 1 . 2]" 1
52 1 12 LEU H 1 12 LEU HB2 . . 3.310 2.308 2.122 2.668 . 0 0 "[ . 1 . 2]" 1
53 1 59 LEU H 1 61 GLU H . . 5.040 4.471 4.266 4.785 . 0 0 "[ . 1 . 2]" 1
54 1 6 ARG H 1 6 ARG QD . . 5.500 4.714 4.194 4.933 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG H 1 86 THR HA . . 5.280 4.285 3.526 4.847 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG H 1 7 PRO HD2 . . 5.280 4.305 3.902 4.753 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU H 1 10 PRO QG . . 4.350 4.070 3.819 4.300 . 0 0 "[ . 1 . 2]" 1
58 1 6 ARG H 1 86 THR H . . 5.480 4.759 3.553 5.457 . 0 0 "[ . 1 . 2]" 1
59 1 58 LEU QD 1 61 GLU H . . 5.220 4.657 4.202 5.217 . 0 0 "[ . 1 . 2]" 1
60 1 61 GLU H 1 61 GLU HA . . 2.840 2.812 2.761 2.853 0.013 4 0 "[ . 1 . 2]" 1
61 1 61 GLU H 1 61 GLU QB . . 2.660 2.413 2.093 2.698 0.038 6 0 "[ . 1 . 2]" 1
62 1 61 GLU H 1 62 LEU QB . . 4.650 4.346 4.169 4.471 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG H 1 85 VAL H . . 4.150 3.793 2.930 4.180 0.030 19 0 "[ . 1 . 2]" 1
64 1 6 ARG H 1 6 ARG HB2 . . 3.460 2.844 2.311 3.346 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG H 1 6 ARG HB3 . . 3.890 3.312 2.897 3.880 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG H 1 7 PRO HD3 . . 5.500 3.686 3.076 4.513 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 10 PRO HD2 . . 5.500 2.178 1.898 2.437 . 0 0 "[ . 1 . 2]" 1
68 1 85 VAL MG1 1 86 THR H . . 4.860 2.659 2.037 4.313 . 0 0 "[ . 1 . 2]" 1
69 1 86 THR H 1 87 LEU QD . . 4.970 4.016 3.235 4.717 . 0 0 "[ . 1 . 2]" 1
70 1 8 LYS H 1 11 LEU QD . . 4.960 2.427 1.936 3.440 . 0 0 "[ . 1 . 2]" 1
71 1 38 ILE HA 1 40 VAL H . . 5.420 4.254 4.060 4.409 . 0 0 "[ . 1 . 2]" 1
72 1 30 VAL HA 1 34 LEU H . . 5.060 4.643 4.118 4.932 . 0 0 "[ . 1 . 2]" 1
73 1 32 HIS H 2 9 TRP HE1 . . 5.500 4.220 3.695 4.610 . 0 0 "[ . 1 . 2]" 1
74 1 32 HIS H 1 33 TYR H . . 3.700 2.667 2.481 2.800 . 0 0 "[ . 1 . 2]" 1
75 1 40 VAL H 1 40 VAL HB . . 2.870 2.152 2.132 2.181 . 0 0 "[ . 1 . 2]" 1
76 1 38 ILE HB 1 40 VAL H . . 4.820 4.792 4.661 4.901 0.081 18 0 "[ . 1 . 2]" 1
77 1 15 LEU QD 1 34 LEU H . . 4.500 3.866 3.536 4.083 . 0 0 "[ . 1 . 2]" 1
78 1 32 HIS H 1 34 LEU H . . 4.940 4.154 4.001 4.283 . 0 0 "[ . 1 . 2]" 1
79 1 33 TYR QD 1 34 LEU H . . 5.500 4.465 4.394 4.564 . 0 0 "[ . 1 . 2]" 1
80 1 33 TYR HB2 1 34 LEU H . . 4.700 2.785 2.629 2.933 . 0 0 "[ . 1 . 2]" 1
81 1 32 HIS H 1 32 HIS HD2 . . 5.480 5.231 5.193 5.253 . 0 0 "[ . 1 . 2]" 1
82 1 29 GLU HA 1 32 HIS H . . 4.190 3.629 3.399 4.035 . 0 0 "[ . 1 . 2]" 1
83 1 31 MET QG 1 32 HIS H . . 3.730 2.326 2.093 2.539 . 0 0 "[ . 1 . 2]" 1
84 1 30 VAL MG1 1 32 HIS H . . 5.500 5.014 4.611 5.345 . 0 0 "[ . 1 . 2]" 1
85 1 2 ILE H 1 2 ILE HB . . 3.920 3.222 2.460 3.874 . 0 0 "[ . 1 . 2]" 1
86 1 2 ILE H 1 3 ASN QB . . 5.500 4.677 3.511 5.517 0.017 1 0 "[ . 1 . 2]" 1
87 1 37 TYR H 1 40 VAL MG1 . . 5.500 4.942 4.711 5.064 . 0 0 "[ . 1 . 2]" 1
88 1 34 LEU QD 1 37 TYR H . . 5.500 4.465 4.331 5.308 . 0 0 "[ . 1 . 2]" 1
89 1 36 GLN H 1 37 TYR H . . 3.740 2.703 2.577 2.766 . 0 0 "[ . 1 . 2]" 1
90 1 37 TYR H 1 38 ILE H . . 3.820 2.755 2.680 2.882 . 0 0 "[ . 1 . 2]" 1
91 1 33 TYR QD 1 37 TYR H . . 5.500 5.417 5.213 5.509 0.009 20 0 "[ . 1 . 2]" 1
92 1 37 TYR H 1 37 TYR QD . . 5.080 4.190 4.129 4.198 . 0 0 "[ . 1 . 2]" 1
93 1 37 TYR H 1 37 TYR HB3 . . 3.370 2.522 2.440 2.685 . 0 0 "[ . 1 . 2]" 1
94 1 37 TYR H 1 37 TYR HB2 . . 3.400 2.538 2.383 2.626 . 0 0 "[ . 1 . 2]" 1
95 1 18 ALA HA 1 37 TYR H . . 5.220 4.112 3.349 5.070 . 0 0 "[ . 1 . 2]" 1
96 1 37 TYR H 1 38 ILE MD . . 5.180 5.122 4.599 5.221 0.041 15 0 "[ . 1 . 2]" 1
97 1 74 SER H 1 74 SER QB . . 3.100 2.234 2.074 3.012 . 0 0 "[ . 1 . 2]" 1
98 1 74 SER H 1 75 PRO HD3 . . 3.450 3.128 3.091 3.239 . 0 0 "[ . 1 . 2]" 1
99 1 74 SER H 1 75 PRO HB3 . . 5.420 5.524 5.477 5.803 0.383 19 0 "[ . 1 . 2]" 1
100 1 51 MET H 1 52 VAL QG . . 5.260 4.091 3.629 4.412 . 0 0 "[ . 1 . 2]" 1
101 1 27 VAL HA 1 29 GLU H . . 5.030 4.516 4.013 4.850 . 0 0 "[ . 1 . 2]" 1
102 1 45 ASP QB 1 51 MET H . . 4.600 3.939 3.211 4.329 . 0 0 "[ . 1 . 2]" 1
103 1 50 HIS H 1 51 MET H . . 3.320 2.654 2.517 2.887 . 0 0 "[ . 1 . 2]" 1
104 1 51 MET H 1 51 MET QB . . 3.480 2.467 2.255 2.678 . 0 0 "[ . 1 . 2]" 1
105 1 50 HIS QB 1 51 MET H . . 4.560 3.830 3.455 4.036 . 0 0 "[ . 1 . 2]" 1
106 1 77 TYR QD 1 78 ASP H . . 5.500 4.476 4.345 4.601 . 0 0 "[ . 1 . 2]" 1
107 1 77 TYR HB3 1 78 ASP H . . 4.420 3.431 3.248 3.728 . 0 0 "[ . 1 . 2]" 1
108 1 77 TYR HB2 1 78 ASP H . . 3.970 2.787 2.666 2.958 . 0 0 "[ . 1 . 2]" 1
109 1 26 THR H 1 29 GLU H . . 4.130 3.466 3.337 3.696 . 0 0 "[ . 1 . 2]" 1
110 1 29 GLU H 1 30 VAL H . . 3.580 2.714 2.532 2.944 . 0 0 "[ . 1 . 2]" 1
111 1 29 GLU H 1 29 GLU HB2 . . 3.530 2.323 2.088 2.592 . 0 0 "[ . 1 . 2]" 1
112 1 28 LYS HB3 1 29 GLU H . . 4.150 3.510 2.794 4.275 0.125 17 0 "[ . 1 . 2]" 1
113 1 26 THR MG 1 29 GLU H . . 4.830 4.584 4.455 4.700 . 0 0 "[ . 1 . 2]" 1
114 1 29 GLU H 1 30 VAL MG2 . . 5.360 4.170 3.895 4.583 . 0 0 "[ . 1 . 2]" 1
115 1 26 THR HB 1 29 GLU H . . 3.580 3.186 2.895 3.533 . 0 0 "[ . 1 . 2]" 1
116 1 13 LYS H 1 14 ILE H . . 3.360 2.665 2.570 2.788 . 0 0 "[ . 1 . 2]" 1
117 1 14 ILE H 1 15 LEU H . . 3.210 2.834 2.790 2.880 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU HA 1 14 ILE H . . 4.190 3.528 3.223 3.725 . 0 0 "[ . 1 . 2]" 1
119 1 14 ILE H 1 14 ILE HB . . 2.690 2.666 2.632 2.703 0.013 1 0 "[ . 1 . 2]" 1
120 1 14 ILE H 1 14 ILE HG12 . . 3.360 2.359 1.888 2.799 . 0 0 "[ . 1 . 2]" 1
121 1 12 LEU QD 1 14 ILE H . . 4.880 4.649 4.448 4.735 . 0 0 "[ . 1 . 2]" 1
122 1 14 ILE H 1 14 ILE HG13 . . 3.470 2.683 2.029 3.462 . 0 0 "[ . 1 . 2]" 1
123 1 14 ILE H 1 14 ILE MG . . 4.090 3.759 3.754 3.764 . 0 0 "[ . 1 . 2]" 1
124 1 29 GLU H 1 31 MET H . . 5.500 4.188 3.723 4.632 . 0 0 "[ . 1 . 2]" 1
125 1 57 ASP H 1 57 ASP HB3 . . 3.330 3.200 2.976 3.369 0.039 13 0 "[ . 1 . 2]" 1
126 1 57 ASP H 1 57 ASP HB2 . . 3.360 2.276 2.079 2.752 . 0 0 "[ . 1 . 2]" 1
127 1 43 LEU QD 1 57 ASP H . . 4.870 3.291 2.783 4.097 . 0 0 "[ . 1 . 2]" 1
128 1 57 ASP H 1 58 LEU H . . 5.500 4.505 4.395 4.613 . 0 0 "[ . 1 . 2]" 1
129 1 27 VAL HA 1 30 VAL H . . 5.330 3.687 3.544 3.886 . 0 0 "[ . 1 . 2]" 1
130 1 26 THR H 1 30 VAL H . . 4.160 4.024 3.778 4.167 0.007 17 0 "[ . 1 . 2]" 1
131 1 57 ASP H 1 59 LEU HG . . 5.480 4.871 4.003 5.495 0.015 9 0 "[ . 1 . 2]" 1
132 1 57 ASP H 1 60 GLY QA . . 5.030 3.100 2.704 3.666 . 0 0 "[ . 1 . 2]" 1
133 1 5 VAL H 1 25 PHE H . . 3.820 3.088 2.747 3.505 . 0 0 "[ . 1 . 2]" 1
134 1 25 PHE H 1 25 PHE QD . . 3.970 3.086 2.818 3.484 . 0 0 "[ . 1 . 2]" 1
135 1 4 GLN QB 1 25 PHE H . . 4.300 4.329 4.303 4.380 0.080 6 0 "[ . 1 . 2]" 1
136 1 5 VAL QG 1 25 PHE H . . 4.270 2.587 2.039 3.360 . 0 0 "[ . 1 . 2]" 1
137 1 49 GLN H 1 50 HIS H . . 4.040 2.721 2.602 2.788 . 0 0 "[ . 1 . 2]" 1
138 1 4 GLN H 1 5 VAL H . . 4.610 4.581 4.477 4.631 0.021 16 0 "[ . 1 . 2]" 1
139 1 28 LYS H 1 29 GLU H . . 3.860 2.675 2.569 2.851 . 0 0 "[ . 1 . 2]" 1
140 1 28 LYS H 1 28 LYS HB3 . . 3.470 3.163 2.181 3.525 0.055 15 0 "[ . 1 . 2]" 1
141 1 2 ILE MG 1 28 LYS H . . 4.460 3.619 2.289 4.525 0.065 12 0 "[ . 1 . 2]" 1
142 1 27 VAL H 1 28 LYS H . . 3.400 2.815 2.664 3.033 . 0 0 "[ . 1 . 2]" 1
143 1 26 THR HB 1 28 LYS H . . 3.250 2.599 2.311 2.865 . 0 0 "[ . 1 . 2]" 1
144 1 28 LYS H 1 28 LYS HB2 . . 3.460 2.749 2.061 3.571 0.111 20 0 "[ . 1 . 2]" 1
145 1 28 LYS H 1 28 LYS HG3 . . 4.550 3.297 1.712 4.054 . 0 0 "[ . 1 . 2]" 1
146 1 80 LEU H 1 84 LEU H . . 4.670 4.642 4.524 4.748 0.078 8 0 "[ . 1 . 2]" 1
147 1 80 LEU HA 1 84 LEU H . . 4.590 2.005 1.875 2.114 . 0 0 "[ . 1 . 2]" 1
148 1 49 GLN H 1 49 GLN QG . . 3.960 2.768 1.863 3.118 . 0 0 "[ . 1 . 2]" 1
149 1 49 GLN H 1 49 GLN HB2 . . 3.990 2.466 2.334 2.809 . 0 0 "[ . 1 . 2]" 1
150 1 3 ASN HA 1 4 GLN H . . 2.640 2.419 2.140 2.754 0.114 12 0 "[ . 1 . 2]" 1
151 1 49 GLN H 1 49 GLN HB3 . . 3.720 3.574 3.555 3.589 . 0 0 "[ . 1 . 2]" 1
152 1 4 GLN H 1 4 GLN QB . . 3.110 2.618 2.213 2.788 . 0 0 "[ . 1 . 2]" 1
153 1 28 LYS H 1 28 LYS QE . . 5.120 3.246 1.935 4.081 . 0 0 "[ . 1 . 2]" 1
154 1 36 GLN H 2 5 PHE QE . . 5.500 5.262 4.313 5.549 0.049 18 0 "[ . 1 . 2]" 1
155 1 36 GLN H 1 37 TYR HB2 . . 5.240 5.088 4.889 5.167 . 0 0 "[ . 1 . 2]" 1
156 1 83 ASN H 1 84 LEU H . . 3.150 2.377 2.286 2.472 . 0 0 "[ . 1 . 2]" 1
157 1 84 LEU H 1 84 LEU QB . . 3.370 2.120 2.021 2.266 . 0 0 "[ . 1 . 2]" 1
158 1 84 LEU H 1 84 LEU QD . . 4.040 3.152 2.498 3.696 . 0 0 "[ . 1 . 2]" 1
159 1 83 ASN HB3 1 84 LEU H . . 4.600 2.504 2.256 2.778 . 0 0 "[ . 1 . 2]" 1
160 1 57 ASP HB2 1 59 LEU H . . 4.650 4.419 4.052 4.659 0.009 10 0 "[ . 1 . 2]" 1
161 1 59 LEU H 1 59 LEU HB3 . . 3.260 2.312 2.094 2.644 . 0 0 "[ . 1 . 2]" 1
162 1 14 ILE MD 1 59 LEU H . . 5.060 4.760 3.738 5.073 0.013 7 0 "[ . 1 . 2]" 1
163 1 61 GLU H 1 62 LEU H . . 3.180 2.682 2.526 2.870 . 0 0 "[ . 1 . 2]" 1
164 1 36 GLN H 1 37 TYR HB3 . . 5.230 4.904 4.737 5.036 . 0 0 "[ . 1 . 2]" 1
165 1 61 GLU QB 1 62 LEU H . . 3.170 3.062 2.553 3.284 0.114 10 0 "[ . 1 . 2]" 1
166 1 62 LEU H 1 62 LEU QB . . 2.910 2.091 2.022 2.208 . 0 0 "[ . 1 . 2]" 1
167 1 62 LEU H 1 62 LEU QD . . 4.120 3.206 2.481 3.734 . 0 0 "[ . 1 . 2]" 1
168 1 33 TYR QD 1 36 GLN H . . 5.350 5.234 5.063 5.346 . 0 0 "[ . 1 . 2]" 1
169 1 36 GLN H 1 36 GLN QG . . 3.060 2.515 2.198 3.129 0.069 15 0 "[ . 1 . 2]" 1
170 1 79 MET H 1 80 LEU H . . 3.460 2.566 2.408 2.657 . 0 0 "[ . 1 . 2]" 1
171 1 78 ASP H 1 79 MET H . . 3.570 2.747 2.659 2.826 . 0 0 "[ . 1 . 2]" 1
172 1 76 LEU HA 1 79 MET H . . 4.030 3.740 3.531 3.889 . 0 0 "[ . 1 . 2]" 1
173 1 79 MET H 1 79 MET HB3 . . 3.070 2.260 2.076 2.405 . 0 0 "[ . 1 . 2]" 1
174 1 79 MET H 1 79 MET HB2 . . 3.180 2.931 2.674 3.213 0.033 10 0 "[ . 1 . 2]" 1
175 1 88 ALA HA 1 89 THR H . . 3.100 2.442 2.144 3.058 . 0 0 "[ . 1 . 2]" 1
176 1 88 ALA MB 1 89 THR H . . 4.480 3.050 1.945 3.694 . 0 0 "[ . 1 . 2]" 1
177 1 78 ASP HB3 1 79 MET H . . 3.340 2.777 2.499 3.055 . 0 0 "[ . 1 . 2]" 1
178 1 79 MET H 1 80 LEU QD . . 5.110 4.179 3.155 4.733 . 0 0 "[ . 1 . 2]" 1
179 1 63 LEU QD 1 79 MET H . . 4.740 3.268 2.624 3.992 . 0 0 "[ . 1 . 2]" 1
180 1 14 ILE MG 1 18 ALA H . . 5.350 5.024 4.740 5.280 . 0 0 "[ . 1 . 2]" 1
181 1 16 HIS H 1 18 ALA H . . 4.480 4.009 3.828 4.301 . 0 0 "[ . 1 . 2]" 1
182 1 16 HIS HA 1 18 ALA H . . 4.550 4.010 3.668 4.476 . 0 0 "[ . 1 . 2]" 1
183 1 15 LEU QD 1 18 ALA H . . 5.500 4.730 4.537 5.027 . 0 0 "[ . 1 . 2]" 1
184 1 15 LEU HA 1 18 ALA H . . 4.500 3.418 3.287 3.520 . 0 0 "[ . 1 . 2]" 1
185 1 14 ILE HA 1 18 ALA H . . 5.230 4.976 4.581 5.235 0.005 10 0 "[ . 1 . 2]" 1
186 1 18 ALA H 1 40 VAL MG2 . . 5.480 5.370 4.875 5.513 0.033 15 0 "[ . 1 . 2]" 1
187 1 16 HIS H 1 17 ALA H . . 3.390 2.808 2.781 2.844 . 0 0 "[ . 1 . 2]" 1
188 1 15 LEU H 1 16 HIS H . . 3.360 2.557 2.532 2.638 . 0 0 "[ . 1 . 2]" 1
189 1 14 ILE H 1 16 HIS H . . 4.840 3.947 3.877 4.034 . 0 0 "[ . 1 . 2]" 1
190 1 16 HIS H 1 16 HIS HD2 . . 4.580 2.825 2.656 3.097 . 0 0 "[ . 1 . 2]" 1
191 1 14 ILE HA 1 16 HIS H . . 4.720 4.605 4.435 4.707 . 0 0 "[ . 1 . 2]" 1
192 1 16 HIS H 1 16 HIS QB . . 3.020 2.241 2.132 2.289 . 0 0 "[ . 1 . 2]" 1
193 1 16 HIS H 1 17 ALA MB . . 4.500 4.397 4.317 4.472 . 0 0 "[ . 1 . 2]" 1
194 1 15 LEU HB2 1 16 HIS H . . 3.660 2.651 2.565 2.751 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU QD 1 16 HIS H . . 4.940 3.345 3.136 3.462 . 0 0 "[ . 1 . 2]" 1
196 1 18 ALA H 1 20 ALA MB . . 5.190 4.017 3.651 4.307 . 0 0 "[ . 1 . 2]" 1
197 1 77 TYR H 1 80 LEU H . . 4.990 4.842 4.727 4.988 . 0 0 "[ . 1 . 2]" 1
198 1 77 TYR H 1 77 TYR HB2 . . 3.590 2.268 2.218 2.384 . 0 0 "[ . 1 . 2]" 1
199 1 77 TYR H 1 78 ASP H . . 3.570 2.681 2.585 2.811 . 0 0 "[ . 1 . 2]" 1
200 1 77 TYR H 1 77 TYR HB3 . . 3.820 3.539 3.516 3.577 . 0 0 "[ . 1 . 2]" 1
201 1 76 LEU HB2 1 77 TYR H . . 4.650 3.633 3.522 3.736 . 0 0 "[ . 1 . 2]" 1
202 1 32 HIS HD2 1 33 TYR H . . 4.770 4.664 4.487 4.782 0.012 9 0 "[ . 1 . 2]" 1
203 1 18 ALA MB 1 33 TYR H . . 5.500 4.672 4.368 5.245 . 0 0 "[ . 1 . 2]" 1
204 1 33 TYR H 1 33 TYR QD . . 4.140 3.229 3.071 3.339 . 0 0 "[ . 1 . 2]" 1
205 1 33 TYR H 1 34 LEU QD . . 5.400 4.141 3.720 4.319 . 0 0 "[ . 1 . 2]" 1
206 1 21 GLN H 1 25 PHE QE . . 4.530 2.682 2.235 2.858 . 0 0 "[ . 1 . 2]" 1
207 1 34 LEU HA 1 38 ILE H . . 5.500 4.180 4.081 4.231 . 0 0 "[ . 1 . 2]" 1
208 1 76 LEU H 1 78 ASP H . . 4.520 3.998 3.752 4.171 . 0 0 "[ . 1 . 2]" 1
209 1 76 LEU H 1 77 TYR HB2 . . 5.500 4.756 4.588 4.858 . 0 0 "[ . 1 . 2]" 1
210 1 76 LEU H 1 76 LEU HB3 . . 3.370 2.574 2.445 2.681 . 0 0 "[ . 1 . 2]" 1
211 1 75 PRO HB3 1 76 LEU H . . 4.260 4.215 4.177 4.304 0.044 14 0 "[ . 1 . 2]" 1
212 1 75 PRO HD3 1 76 LEU H . . 3.770 3.851 3.843 3.880 0.110 14 0 "[ . 1 . 2]" 1
213 1 63 LEU QD 1 76 LEU H . . 5.400 3.765 3.306 4.141 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLN H 1 21 GLN HE21 . . 5.260 4.325 4.073 4.710 . 0 0 "[ . 1 . 2]" 1
215 1 53 TYR HB2 1 54 CYS H . . 5.360 4.525 4.396 4.637 . 0 0 "[ . 1 . 2]" 1
216 1 80 LEU H 1 81 ARG H . . 4.160 2.718 2.568 2.774 . 0 0 "[ . 1 . 2]" 1
217 1 81 ARG H 1 82 LYS H . . 3.590 3.067 2.884 3.185 . 0 0 "[ . 1 . 2]" 1
218 1 81 ARG H 1 81 ARG HB3 . . 3.390 2.682 2.082 3.609 0.219 20 0 "[ . 1 . 2]" 1
219 1 80 LEU QD 1 81 ARG H . . 4.650 3.981 3.716 4.193 . 0 0 "[ . 1 . 2]" 1
220 1 81 ARG H 1 81 ARG QD . . 5.270 4.169 3.343 4.634 . 0 0 "[ . 1 . 2]" 1
221 1 36 GLN HA 1 38 ILE H . . 4.970 4.563 4.362 4.660 . 0 0 "[ . 1 . 2]" 1
222 1 38 ILE H 1 40 VAL H . . 5.500 3.977 3.852 4.106 . 0 0 "[ . 1 . 2]" 1
223 1 37 TYR QD 1 38 ILE H . . 4.600 3.477 3.242 3.741 . 0 0 "[ . 1 . 2]" 1
224 1 37 TYR HB3 1 38 ILE H . . 3.640 2.471 2.322 2.617 . 0 0 "[ . 1 . 2]" 1
225 1 38 ILE H 1 38 ILE HG12 . . 3.660 3.357 3.209 3.635 . 0 0 "[ . 1 . 2]" 1
226 1 38 ILE H 1 38 ILE HB . . 3.330 2.587 2.456 2.653 . 0 0 "[ . 1 . 2]" 1
227 1 38 ILE H 1 38 ILE MD . . 4.020 3.421 3.103 3.537 . 0 0 "[ . 1 . 2]" 1
228 1 38 ILE H 1 40 VAL HB . . 5.500 5.052 4.863 5.339 . 0 0 "[ . 1 . 2]" 1
229 1 53 TYR QD 1 54 CYS H . . 4.560 4.187 2.927 4.571 0.011 13 0 "[ . 1 . 2]" 1
230 1 54 CYS H 1 59 LEU QD . . 4.430 3.512 2.995 3.833 . 0 0 "[ . 1 . 2]" 1
231 1 54 CYS H 1 55 GLY H . . 3.740 2.773 2.109 3.059 . 0 0 "[ . 1 . 2]" 1
232 1 53 TYR HA 1 54 CYS H . . 2.820 2.412 2.141 2.687 . 0 0 "[ . 1 . 2]" 1
233 1 54 CYS H 1 54 CYS HB3 . . 4.120 2.536 2.078 3.571 . 0 0 "[ . 1 . 2]" 1
234 1 52 VAL QG 1 54 CYS H . . 5.190 2.512 1.925 3.783 . 0 0 "[ . 1 . 2]" 1
235 1 11 LEU HA 1 15 LEU H . . 4.790 4.788 4.615 4.840 0.050 9 0 "[ . 1 . 2]" 1
236 1 14 ILE HB 1 15 LEU H . . 2.850 2.256 2.219 2.289 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU H 1 15 LEU HB2 . . 3.470 2.638 2.392 2.807 . 0 0 "[ . 1 . 2]" 1
238 1 14 ILE HG13 1 15 LEU H . . 3.910 4.185 3.848 4.579 0.669 16 9 "[ ** .* -1* **.+ *2]" 1
239 1 12 LEU QD 1 15 LEU H . . 5.490 4.064 3.913 4.161 . 0 0 "[ . 1 . 2]" 1
240 1 40 VAL H 1 41 LYS H . . 3.540 2.546 2.437 2.623 . 0 0 "[ . 1 . 2]" 1
241 1 41 LYS H 1 42 GLN HA . . 4.760 4.578 4.500 4.689 . 0 0 "[ . 1 . 2]" 1
242 1 38 ILE HA 1 41 LYS H . . 5.150 3.515 3.370 3.596 . 0 0 "[ . 1 . 2]" 1
243 1 41 LYS H 1 41 LYS HB2 . . 3.330 2.222 2.131 2.334 . 0 0 "[ . 1 . 2]" 1
244 1 41 LYS H 1 41 LYS QG . . 3.590 3.060 2.818 3.737 0.147 13 0 "[ . 1 . 2]" 1
245 1 70 VAL H 1 72 ASP H . . 5.010 3.894 3.745 4.224 . 0 0 "[ . 1 . 2]" 1
246 1 39 MET H 1 44 TYR QE . . 5.500 4.637 4.583 4.763 . 0 0 "[ . 1 . 2]" 1
247 1 37 TYR H 1 39 MET H . . 5.490 4.267 4.162 4.414 . 0 0 "[ . 1 . 2]" 1
248 1 39 MET H 2 5 PHE QE . . 5.360 3.169 2.492 3.584 . 0 0 "[ . 1 . 2]" 1
249 1 39 MET H 1 44 TYR QD . . 5.500 4.869 4.325 5.174 . 0 0 "[ . 1 . 2]" 1
250 1 37 TYR HB3 1 39 MET H . . 5.040 5.052 4.931 5.140 0.100 9 0 "[ . 1 . 2]" 1
251 1 39 MET H 1 40 VAL H . . 3.630 2.602 2.526 2.747 . 0 0 "[ . 1 . 2]" 1
252 1 38 ILE H 1 39 MET H . . 3.810 2.759 2.622 2.842 . 0 0 "[ . 1 . 2]" 1
253 1 39 MET H 1 39 MET QG . . 3.200 3.096 2.645 3.248 0.048 3 0 "[ . 1 . 2]" 1
254 1 38 ILE HG12 1 39 MET H . . 5.280 4.936 4.889 5.019 . 0 0 "[ . 1 . 2]" 1
255 1 39 MET H 1 40 VAL MG1 . . 5.500 4.894 4.852 4.972 . 0 0 "[ . 1 . 2]" 1
256 1 38 ILE HG13 1 39 MET H . . 4.890 4.126 4.049 4.338 . 0 0 "[ . 1 . 2]" 1
257 1 38 ILE MG 1 39 MET H . . 5.150 3.373 3.059 3.578 . 0 0 "[ . 1 . 2]" 1
258 1 71 LYS H 1 72 ASP H . . 3.130 2.544 2.254 2.649 . 0 0 "[ . 1 . 2]" 1
259 1 72 ASP H 1 72 ASP QB . . 3.630 2.520 2.314 2.675 . 0 0 "[ . 1 . 2]" 1
260 1 70 VAL QG 1 72 ASP H . . 5.050 3.833 3.720 4.218 . 0 0 "[ . 1 . 2]" 1
261 1 69 SER HA 1 72 ASP H . . 4.880 4.536 4.387 4.654 . 0 0 "[ . 1 . 2]" 1
262 1 65 ARG HG3 1 66 GLN H . . 5.500 4.452 4.126 5.508 0.008 12 0 "[ . 1 . 2]" 1
263 1 42 GLN H 1 43 LEU QD . . 5.500 4.125 2.804 5.315 . 0 0 "[ . 1 . 2]" 1
264 1 42 GLN H 1 43 LEU HA . . 5.500 5.245 5.105 5.358 . 0 0 "[ . 1 . 2]" 1
265 1 40 VAL HA 1 42 GLN H . . 4.630 4.066 3.941 4.196 . 0 0 "[ . 1 . 2]" 1
266 1 42 GLN H 1 42 GLN QG . . 3.830 3.667 2.881 4.131 0.301 13 0 "[ . 1 . 2]" 1
267 1 41 LYS HB3 1 42 GLN H . . 4.580 3.842 3.652 4.036 . 0 0 "[ . 1 . 2]" 1
268 1 40 VAL H 1 42 GLN H . . 4.430 3.675 3.558 3.809 . 0 0 "[ . 1 . 2]" 1
269 1 41 LYS H 1 42 GLN H . . 2.970 2.321 2.247 2.420 . 0 0 "[ . 1 . 2]" 1
270 1 42 GLN H 1 44 TYR QD . . 5.330 4.073 3.657 4.414 . 0 0 "[ . 1 . 2]" 1
271 1 42 GLN H 1 42 GLN QB . . 3.510 3.141 3.037 3.450 . 0 0 "[ . 1 . 2]" 1
272 1 42 GLN H 1 44 TYR QE . . 4.750 3.444 3.222 4.074 . 0 0 "[ . 1 . 2]" 1
273 1 38 ILE HA 1 42 GLN H . . 5.500 4.183 4.029 4.269 . 0 0 "[ . 1 . 2]" 1
274 1 23 GLU HB3 1 24 MET H . . 5.500 3.974 2.900 4.469 . 0 0 "[ . 1 . 2]" 1
275 1 23 GLU H 1 24 MET H . . 3.150 1.900 1.872 2.085 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLY HA3 1 24 MET H . . 4.120 3.427 3.183 3.887 . 0 0 "[ . 1 . 2]" 1
277 1 22 GLY HA2 1 24 MET H . . 4.760 4.535 4.123 4.810 0.050 5 0 "[ . 1 . 2]" 1
278 1 23 GLU HB2 1 24 MET H . . 3.830 3.606 2.735 4.023 0.193 16 0 "[ . 1 . 2]" 1
279 1 68 PHE H 1 68 PHE QD . . 4.150 3.136 2.524 3.603 . 0 0 "[ . 1 . 2]" 1
280 1 52 VAL HB 1 68 PHE H . . 4.110 3.216 2.641 4.493 0.383 18 0 "[ . 1 . 2]" 1
281 1 52 VAL QG 1 68 PHE H . . 5.320 3.271 1.852 3.764 . 0 0 "[ . 1 . 2]" 1
282 1 31 MET H 1 32 HIS HB2 . . 5.500 4.670 4.538 4.871 . 0 0 "[ . 1 . 2]" 1
283 1 28 LYS HA 1 31 MET H . . 4.350 3.646 3.507 3.927 . 0 0 "[ . 1 . 2]" 1
284 1 31 MET H 1 31 MET QG . . 3.390 3.363 3.110 3.607 0.217 16 0 "[ . 1 . 2]" 1
285 1 30 VAL MG2 1 31 MET H . . 3.860 3.782 3.613 3.891 0.031 17 0 "[ . 1 . 2]" 1
286 1 29 GLU HB2 1 31 MET H . . 5.500 5.108 4.666 5.383 . 0 0 "[ . 1 . 2]" 1
287 1 46 GLN QE 1 47 GLN H . . 5.500 4.195 3.911 4.334 . 0 0 "[ . 1 . 2]" 1
288 1 63 LEU H 1 64 GLY H . . 3.690 2.626 2.357 2.897 . 0 0 "[ . 1 . 2]" 1
289 1 62 LEU H 1 63 LEU H . . 3.420 2.727 2.515 2.943 . 0 0 "[ . 1 . 2]" 1
290 1 62 LEU HA 1 63 LEU H . . 3.490 3.545 3.505 3.571 0.081 14 0 "[ . 1 . 2]" 1
291 1 63 LEU H 1 63 LEU HB2 . . 3.070 2.078 2.047 2.150 . 0 0 "[ . 1 . 2]" 1
292 1 63 LEU H 1 63 LEU HB3 . . 3.550 3.327 3.236 3.470 . 0 0 "[ . 1 . 2]" 1
293 1 62 LEU QD 1 63 LEU H . . 4.510 3.769 3.302 4.204 . 0 0 "[ . 1 . 2]" 1
294 1 46 GLN H 1 47 GLN H . . 3.510 2.707 2.525 2.849 . 0 0 "[ . 1 . 2]" 1
295 1 45 ASP QB 1 47 GLN H . . 4.750 3.411 2.533 4.183 . 0 0 "[ . 1 . 2]" 1
296 1 47 GLN H 1 48 GLU QB . . 4.650 4.614 4.348 4.861 0.211 8 0 "[ . 1 . 2]" 1
297 1 50 HIS HA 1 71 LYS H . . 5.340 3.274 2.994 3.741 . 0 0 "[ . 1 . 2]" 1
298 1 50 HIS QB 1 71 LYS H . . 4.680 2.721 2.261 3.129 . 0 0 "[ . 1 . 2]" 1
299 1 71 LYS H 1 71 LYS QB . . 3.810 2.203 2.064 2.687 . 0 0 "[ . 1 . 2]" 1
300 1 70 VAL QG 1 71 LYS H . . 3.950 2.057 1.895 2.749 . 0 0 "[ . 1 . 2]" 1
301 1 70 VAL H 1 71 LYS H . . 3.860 2.493 2.436 2.644 . 0 0 "[ . 1 . 2]" 1
302 1 13 LYS H 1 13 LYS QE . . 5.500 4.691 4.048 5.405 . 0 0 "[ . 1 . 2]" 1
303 1 12 LEU H 1 13 LYS H . . 3.620 2.574 2.476 2.843 . 0 0 "[ . 1 . 2]" 1
304 1 13 LYS H 1 13 LYS HG2 . . 3.410 3.103 2.528 3.991 0.581 2 2 "[ + . 1 .- 2]" 1
305 1 13 LYS H 1 15 LEU H . . 5.500 4.685 4.640 4.731 . 0 0 "[ . 1 . 2]" 1
306 1 81 ARG QD 1 82 LYS H . . 5.500 3.911 3.758 4.325 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLU H 1 23 GLU HG3 . . 4.320 3.608 2.670 4.883 0.563 12 1 "[ . 1 + . 2]" 1
308 1 23 GLU H 1 23 GLU HB2 . . 4.070 2.811 2.586 3.103 . 0 0 "[ . 1 . 2]" 1
309 1 12 LEU QD 1 23 GLU H . . 5.500 4.205 3.763 4.346 . 0 0 "[ . 1 . 2]" 1
310 1 82 LYS H 1 82 LYS HB2 . . 3.690 3.688 3.657 3.718 0.028 4 0 "[ . 1 . 2]" 1
311 1 82 LYS H 1 82 LYS QD . . 3.710 2.126 1.855 2.408 . 0 0 "[ . 1 . 2]" 1
312 1 82 LYS H 1 82 LYS HG3 . . 4.080 4.107 3.998 4.163 0.083 17 0 "[ . 1 . 2]" 1
313 1 80 LEU H 1 82 LYS H . . 5.500 4.751 4.470 4.909 . 0 0 "[ . 1 . 2]" 1
314 1 5 VAL H 1 87 LEU H . . 5.500 5.284 4.515 5.536 0.036 19 0 "[ . 1 . 2]" 1
315 1 83 ASN H 1 84 LEU QB . . 4.580 4.137 3.930 4.306 . 0 0 "[ . 1 . 2]" 1
316 1 62 LEU QD 1 83 ASN H . . 4.780 4.589 3.985 4.793 0.013 18 0 "[ . 1 . 2]" 1
317 1 82 LYS H 1 83 ASN H . . 3.370 2.155 2.132 2.192 . 0 0 "[ . 1 . 2]" 1
318 1 80 LEU HB3 1 83 ASN H . . 5.260 4.621 4.478 4.744 . 0 0 "[ . 1 . 2]" 1
319 1 5 VAL H 1 26 THR H . . 5.220 4.898 4.291 5.226 0.006 2 0 "[ . 1 . 2]" 1
320 1 5 VAL H 1 6 ARG H . . 5.080 4.407 4.381 4.445 . 0 0 "[ . 1 . 2]" 1
321 1 4 GLN QG 1 5 VAL H . . 5.240 4.127 3.343 4.498 . 0 0 "[ . 1 . 2]" 1
322 1 4 GLN QB 1 5 VAL H . . 3.620 2.440 2.073 3.021 . 0 0 "[ . 1 . 2]" 1
323 1 5 VAL H 1 5 VAL QG . . 3.510 2.401 2.231 2.897 . 0 0 "[ . 1 . 2]" 1
324 1 69 SER H 1 72 ASP H . . 5.370 4.698 4.153 4.982 . 0 0 "[ . 1 . 2]" 1
325 1 68 PHE QD 1 69 SER H . . 4.170 3.537 2.952 4.032 . 0 0 "[ . 1 . 2]" 1
326 1 68 PHE HB2 1 69 SER H . . 3.520 2.706 1.979 2.898 . 0 0 "[ . 1 . 2]" 1
327 1 69 SER H 1 75 PRO HG3 . . 4.910 3.582 2.613 4.048 . 0 0 "[ . 1 . 2]" 1
328 1 68 PHE H 1 69 SER H . . 5.500 4.375 4.206 4.460 . 0 0 "[ . 1 . 2]" 1
329 1 69 SER H 1 72 ASP QB . . 3.920 3.766 2.906 3.934 0.014 19 0 "[ . 1 . 2]" 1
330 1 5 VAL H 1 26 THR MG . . 5.500 4.032 3.493 4.554 . 0 0 "[ . 1 . 2]" 1
331 1 83 ASN QD 1 84 LEU QD . . 4.940 3.038 2.088 4.181 . 0 0 "[ . 1 . 2]" 1
332 1 65 ARG H 1 65 ARG QD . . 5.180 3.041 2.116 4.493 . 0 0 "[ . 1 . 2]" 1
333 1 63 LEU HB2 1 65 ARG H . . 3.470 3.440 3.069 3.523 0.053 15 0 "[ . 1 . 2]" 1
334 1 65 ARG H 1 65 ARG HB2 . . 3.340 2.792 2.686 2.954 . 0 0 "[ . 1 . 2]" 1
335 1 63 LEU HB3 1 65 ARG H . . 3.660 2.353 2.168 2.922 . 0 0 "[ . 1 . 2]" 1
336 1 63 LEU QD 1 65 ARG H . . 4.660 3.536 3.185 4.028 . 0 0 "[ . 1 . 2]" 1
337 1 82 LYS QD 1 83 ASN QD . . 5.470 4.787 4.379 5.145 . 0 0 "[ . 1 . 2]" 1
338 1 62 LEU HG 1 83 ASN QD . . 5.430 4.065 2.903 4.790 . 0 0 "[ . 1 . 2]" 1
339 1 62 LEU QD 1 83 ASN QD . . 4.750 3.221 1.967 4.310 . 0 0 "[ . 1 . 2]" 1
340 1 11 LEU H 1 12 LEU H . . 3.040 2.079 1.917 2.335 . 0 0 "[ . 1 . 2]" 1
341 1 11 LEU H 1 11 LEU HB3 . . 3.500 3.466 3.127 3.682 0.182 20 0 "[ . 1 . 2]" 1
342 1 79 MET ME 1 83 ASN QD . . 5.500 2.949 1.834 4.601 . 0 0 "[ . 1 . 2]" 1
343 1 36 GLN HA 1 36 GLN HE21 . . 4.560 3.488 2.630 4.442 . 0 0 "[ . 1 . 2]" 1
344 1 42 GLN QG 1 44 TYR H . . 5.480 4.777 3.525 5.581 0.101 9 0 "[ . 1 . 2]" 1
345 1 43 LEU H 1 44 TYR H . . 3.320 3.194 2.802 3.568 0.248 13 0 "[ . 1 . 2]" 1
346 1 44 TYR H 1 46 GLN QE . . 4.570 3.349 2.987 3.957 . 0 0 "[ . 1 . 2]" 1
347 1 42 GLN HA 1 44 TYR H . . 4.120 3.857 3.267 4.125 0.005 7 0 "[ . 1 . 2]" 1
348 1 38 ILE MG 1 44 TYR H . . 4.270 3.858 3.230 4.250 . 0 0 "[ . 1 . 2]" 1
349 1 43 LEU H 1 44 TYR QB . . 4.390 4.084 3.807 4.522 0.132 13 0 "[ . 1 . 2]" 1
350 1 42 GLN H 1 43 LEU H . . 3.980 2.793 2.534 3.103 . 0 0 "[ . 1 . 2]" 1
351 1 43 LEU H 1 44 TYR QD . . 3.620 2.259 1.928 3.323 . 0 0 "[ . 1 . 2]" 1
352 1 42 GLN QG 1 43 LEU H . . 4.850 4.376 3.231 4.713 . 0 0 "[ . 1 . 2]" 1
353 1 18 ALA MB 1 36 GLN HE21 . . 5.500 4.240 3.407 4.945 . 0 0 "[ . 1 . 2]" 1
354 1 18 ALA MB 1 36 GLN HE22 . . 5.500 4.996 3.603 5.528 0.028 10 0 "[ . 1 . 2]" 1
355 1 36 GLN HA 1 36 GLN HE22 . . 4.930 4.498 3.726 4.909 . 0 0 "[ . 1 . 2]" 1
356 1 39 MET HA 1 43 LEU H . . 4.990 3.935 3.623 4.966 . 0 0 "[ . 1 . 2]" 1
357 1 3 ASN HA 1 3 ASN HD21 . . 2.540 2.164 1.854 2.574 0.034 10 0 "[ . 1 . 2]" 1
358 1 54 CYS HB2 1 55 GLY H . . 5.500 3.748 2.750 4.569 . 0 0 "[ . 1 . 2]" 1
359 1 46 GLN HB3 1 47 GLN HE22 . . 5.280 3.172 1.892 5.382 0.102 4 0 "[ . 1 . 2]" 1
360 1 47 GLN HA 1 47 GLN HE22 . . 5.500 4.318 3.783 5.479 . 0 0 "[ . 1 . 2]" 1
361 1 3 ASN HD21 1 88 ALA MB . . 5.500 4.395 2.263 5.483 . 0 0 "[ . 1 . 2]" 1
362 1 3 ASN HD21 1 4 GLN QG . . 5.500 4.528 2.643 5.348 . 0 0 "[ . 1 . 2]" 1
363 1 44 TYR QB 1 46 GLN QE . . 5.000 4.352 3.923 4.608 . 0 0 "[ . 1 . 2]" 1
364 1 53 TYR HB3 1 55 GLY H . . 5.290 4.028 3.463 4.693 . 0 0 "[ . 1 . 2]" 1
365 1 55 GLY H 1 66 GLN HB3 . . 5.370 4.934 4.493 5.377 0.007 14 0 "[ . 1 . 2]" 1
366 1 53 TYR QD 1 55 GLY H . . 5.500 4.217 3.402 5.423 . 0 0 "[ . 1 . 2]" 1
367 1 54 CYS HB3 1 55 GLY H . . 4.870 3.830 3.257 4.414 . 0 0 "[ . 1 . 2]" 1
368 1 55 GLY H 1 67 SER HA . . 5.040 3.555 2.945 4.212 . 0 0 "[ . 1 . 2]" 1
369 1 3 ASN HD22 1 4 GLN H . . 4.830 3.885 2.479 4.917 0.087 14 0 "[ . 1 . 2]" 1
370 1 46 GLN QE 1 47 GLN HE22 . . 4.550 4.174 3.506 4.482 . 0 0 "[ . 1 . 2]" 1
371 1 46 GLN QE 1 47 GLN HE21 . . 3.830 3.859 3.567 4.493 0.663 2 1 "[ + . 1 . 2]" 1
372 1 16 HIS HA 1 21 GLN HE21 . . 2.900 2.932 2.736 3.109 0.209 4 0 "[ . 1 . 2]" 1
373 1 41 LYS HA 1 42 GLN QE . . 5.500 3.426 3.007 4.176 . 0 0 "[ . 1 . 2]" 1
374 1 41 LYS QE 1 42 GLN QE . . 5.500 4.474 4.056 4.771 . 0 0 "[ . 1 . 2]" 1
375 1 42 GLN QE 1 43 LEU H . . 4.810 4.507 3.562 4.702 . 0 0 "[ . 1 . 2]" 1
376 1 42 GLN HA 1 42 GLN QE . . 4.740 2.900 2.587 4.751 0.011 13 0 "[ . 1 . 2]" 1
377 1 4 GLN HE22 1 26 THR MG . . 5.160 3.939 1.892 5.196 0.036 18 0 "[ . 1 . 2]" 1
378 1 67 SER H 1 68 PHE QD . . 5.470 4.748 4.158 5.239 . 0 0 "[ . 1 . 2]" 1
379 1 67 SER H 1 68 PHE H . . 5.100 4.303 4.188 4.380 . 0 0 "[ . 1 . 2]" 1
380 1 65 ARG HB3 1 67 SER H . . 3.360 3.288 3.110 3.393 0.033 19 0 "[ . 1 . 2]" 1
381 1 65 ARG HB2 1 67 SER H . . 3.740 3.264 2.809 3.676 . 0 0 "[ . 1 . 2]" 1
382 1 66 GLN QG 1 67 SER H . . 4.970 2.962 1.934 4.297 . 0 0 "[ . 1 . 2]" 1
383 1 3 ASN HA 1 4 GLN HE22 . . 3.840 3.541 2.813 3.991 0.151 4 0 "[ . 1 . 2]" 1
384 1 3 ASN QB 1 4 GLN HE22 . . 5.500 4.752 3.110 5.654 0.154 4 0 "[ . 1 . 2]" 1
385 1 5 VAL QG 1 26 THR H . . 5.500 3.896 3.454 4.187 . 0 0 "[ . 1 . 2]" 1
386 1 25 PHE QD 1 26 THR H . . 4.570 4.064 3.895 4.276 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR H 1 29 GLU HB2 . . 3.580 2.037 1.921 2.285 . 0 0 "[ . 1 . 2]" 1
388 1 26 THR H 1 26 THR MG . . 3.720 3.368 2.999 3.574 . 0 0 "[ . 1 . 2]" 1
389 1 46 GLN HA 1 49 GLN HE22 . . 4.750 4.436 3.654 4.768 0.018 20 0 "[ . 1 . 2]" 1
390 1 49 GLN HA 1 49 GLN HE22 . . 5.460 5.129 4.922 5.383 . 0 0 "[ . 1 . 2]" 1
391 1 49 GLN HA 1 49 GLN HE21 . . 5.180 4.149 3.696 4.595 . 0 0 "[ . 1 . 2]" 1
392 1 47 GLN HA 1 49 GLN HE21 . . 5.500 5.172 4.333 5.562 0.062 5 0 "[ . 1 . 2]" 1
393 1 49 GLN HE21 2 4 THR MG . . 5.060 4.635 4.073 5.104 0.044 8 0 "[ . 1 . 2]" 1
394 1 49 GLN HE22 2 4 THR MG . . 5.060 4.774 4.152 5.115 0.055 18 0 "[ . 1 . 2]" 1
395 1 49 GLN H 1 49 GLN HE21 . . 5.500 3.691 2.836 4.404 . 0 0 "[ . 1 . 2]" 1
396 1 21 GLN HB2 1 22 GLY H . . 4.850 4.506 4.390 4.613 . 0 0 "[ . 1 . 2]" 1
397 1 21 GLN HA 1 22 GLY H . . 3.390 2.154 2.143 2.179 . 0 0 "[ . 1 . 2]" 1
398 1 12 LEU QD 1 22 GLY H . . 3.730 2.698 2.334 2.962 . 0 0 "[ . 1 . 2]" 1
399 1 63 LEU HB3 1 64 GLY H . . 4.390 3.028 2.645 3.445 . 0 0 "[ . 1 . 2]" 1
400 1 64 GLY H 1 65 ARG H . . 3.150 2.458 2.085 2.686 . 0 0 "[ . 1 . 2]" 1
401 1 63 LEU HB2 1 64 GLY H . . 3.980 3.051 2.636 3.481 . 0 0 "[ . 1 . 2]" 1
402 1 64 GLY H 1 65 ARG HG2 . . 4.950 4.414 3.921 5.884 0.934 20 1 "[ . 1 . +]" 1
403 1 62 LEU QD 1 64 GLY H . . 5.500 5.018 4.619 5.470 . 0 0 "[ . 1 . 2]" 1
404 1 64 GLY H 1 65 ARG HE . . 5.290 5.191 3.694 5.314 0.024 14 0 "[ . 1 . 2]" 1
405 1 63 LEU QD 1 64 GLY H . . 5.280 4.043 3.839 4.338 . 0 0 "[ . 1 . 2]" 1
406 1 50 HIS H 1 70 VAL QG . . 5.480 3.659 3.554 3.870 . 0 0 "[ . 1 . 2]" 1
407 1 49 GLN HB3 1 50 HIS H . . 5.500 3.930 3.537 4.231 . 0 0 "[ . 1 . 2]" 1
408 1 50 HIS H 2 8 LEU QD . . 3.580 2.744 2.133 3.590 0.010 2 0 "[ . 1 . 2]" 1
409 1 50 HIS H 1 71 LYS QB . . 5.500 5.334 5.151 5.450 . 0 0 "[ . 1 . 2]" 1
410 1 48 GLU QB 1 50 HIS H . . 4.780 3.191 2.844 4.229 . 0 0 "[ . 1 . 2]" 1
411 1 50 HIS H 1 50 HIS QB . . 3.670 2.424 2.057 2.802 . 0 0 "[ . 1 . 2]" 1
412 1 59 LEU QD 1 60 GLY H . . 4.410 2.121 1.779 3.045 . 0 0 "[ . 1 . 2]" 1
413 1 32 HIS HA 1 35 GLY H . . 5.160 4.016 3.948 4.110 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU QD 1 35 GLY H . . 5.090 3.846 3.772 3.903 . 0 0 "[ . 1 . 2]" 1
415 1 59 LEU H 1 60 GLY H . . 3.530 2.713 2.669 2.751 . 0 0 "[ . 1 . 2]" 1
416 1 57 ASP HB3 1 60 GLY H . . 3.920 3.166 2.806 3.623 . 0 0 "[ . 1 . 2]" 1
417 1 60 GLY H 1 63 LEU H . . 5.050 4.766 4.575 4.956 . 0 0 "[ . 1 . 2]" 1
418 1 35 GLY H 2 5 PHE QE . . 5.500 5.052 4.433 5.354 . 0 0 "[ . 1 . 2]" 1
419 1 35 GLY H 2 9 TRP HE1 . . 4.130 2.542 2.314 2.754 . 0 0 "[ . 1 . 2]" 1
420 1 35 GLY H 1 37 TYR H . . 4.760 4.245 4.128 4.356 . 0 0 "[ . 1 . 2]" 1
421 1 34 LEU HB2 1 35 GLY H . . 3.970 2.777 2.409 2.874 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU HB3 1 35 GLY H . . 3.810 2.626 2.529 2.991 . 0 0 "[ . 1 . 2]" 1
423 1 34 LEU H 1 35 GLY H . . 3.470 2.983 2.937 3.022 . 0 0 "[ . 1 . 2]" 1
424 1 19 GLY H 1 20 ALA MB . . 4.810 3.934 3.726 4.204 . 0 0 "[ . 1 . 2]" 1
425 1 17 ALA H 1 19 GLY H . . 5.010 4.082 3.896 4.380 . 0 0 "[ . 1 . 2]" 1
426 1 16 HIS HA 1 19 GLY H . . 4.060 3.604 3.295 3.992 . 0 0 "[ . 1 . 2]" 1
427 1 17 ALA HA 1 19 GLY H . . 4.150 3.648 3.479 3.865 . 0 0 "[ . 1 . 2]" 1
428 1 18 ALA MB 1 19 GLY H . . 4.170 3.312 3.060 3.555 . 0 0 "[ . 1 . 2]" 1
429 1 26 THR HB 1 27 VAL H . . 3.210 2.305 1.937 2.695 . 0 0 "[ . 1 . 2]" 1
430 1 89 THR H 1 89 THR HB . . 4.150 3.383 2.313 4.052 . 0 0 "[ . 1 . 2]" 1
431 1 86 THR H 1 86 THR HB . . 3.780 3.771 3.615 3.851 0.071 19 0 "[ . 1 . 2]" 1
432 1 86 THR HB 1 87 LEU H . . 3.880 3.096 1.953 3.850 . 0 0 "[ . 1 . 2]" 1
433 1 27 VAL HA 1 30 VAL HB . . 3.090 3.010 2.751 3.132 0.042 18 0 "[ . 1 . 2]" 1
434 1 27 VAL HA 1 27 VAL QG . . 3.030 2.133 1.964 2.555 . 0 0 "[ . 1 . 2]" 1
435 1 15 LEU QD 1 30 VAL HA . . 3.320 2.687 1.899 3.187 . 0 0 "[ . 1 . 2]" 1
436 1 30 VAL HA 1 33 TYR H . . 3.980 3.598 3.343 3.820 . 0 0 "[ . 1 . 2]" 1
437 1 30 VAL HA 1 33 TYR HB2 . . 4.170 3.102 2.692 3.423 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL HA 1 30 VAL MG2 . . 2.880 2.399 2.179 2.493 . 0 0 "[ . 1 . 2]" 1
439 1 9 LEU QD 1 10 PRO HA . . 4.730 4.472 3.260 4.895 0.165 16 0 "[ . 1 . 2]" 1
440 1 51 MET ME 1 67 SER QB . . 3.340 2.531 1.847 3.247 . 0 0 "[ . 1 . 2]" 1
441 1 53 TYR QE 1 67 SER QB . . 4.350 3.006 2.486 3.475 . 0 0 "[ . 1 . 2]" 1
442 1 67 SER QB 1 68 PHE H . . 3.400 2.787 1.942 3.269 . 0 0 "[ . 1 . 2]" 1
443 1 54 CYS H 1 67 SER QB . . 4.170 3.485 2.725 3.962 . 0 0 "[ . 1 . 2]" 1
444 1 53 TYR QD 1 67 SER QB . . 3.910 2.119 1.784 2.748 . 0 0 "[ . 1 . 2]" 1
445 1 53 TYR HA 1 67 SER QB . . 3.350 2.220 1.894 2.651 . 0 0 "[ . 1 . 2]" 1
446 1 75 PRO HA 1 78 ASP H . . 3.840 3.538 3.352 3.746 . 0 0 "[ . 1 . 2]" 1
447 1 74 SER QB 1 75 PRO HA . . 4.100 3.938 3.772 4.575 0.475 12 0 "[ . 1 . 2]" 1
448 1 75 PRO HA 1 78 ASP HB3 . . 3.060 2.944 2.663 3.152 0.092 14 0 "[ . 1 . 2]" 1
449 1 40 VAL HA 1 40 VAL HB . . 2.740 2.773 2.757 2.792 0.052 16 0 "[ . 1 . 2]" 1
450 1 40 VAL HA 1 40 VAL MG1 . . 3.150 3.042 3.020 3.057 . 0 0 "[ . 1 . 2]" 1
451 1 38 ILE HA 1 38 ILE HG12 . . 3.830 2.634 2.551 2.900 . 0 0 "[ . 1 . 2]" 1
452 1 37 TYR QD 1 38 ILE HA . . 4.010 3.599 3.375 4.024 0.014 18 0 "[ . 1 . 2]" 1
453 1 38 ILE HA 1 52 VAL QG . . 4.870 4.345 3.968 4.852 . 0 0 "[ . 1 . 2]" 1
454 1 69 SER H 1 69 SER QB . . 3.510 2.701 2.140 3.073 . 0 0 "[ . 1 . 2]" 1
455 1 51 MET HA 1 69 SER QB . . 3.750 3.267 2.215 3.662 . 0 0 "[ . 1 . 2]" 1
456 1 69 SER QB 1 70 VAL H . . 4.130 3.064 2.850 3.520 . 0 0 "[ . 1 . 2]" 1
457 1 70 VAL HA 1 72 ASP H . . 3.860 3.651 3.468 3.891 0.031 15 0 "[ . 1 . 2]" 1
458 1 70 VAL HA 2 9 TRP HZ3 . . 4.540 3.015 2.345 3.574 . 0 0 "[ . 1 . 2]" 1
459 1 70 VAL HA 1 71 LYS HA . . 4.820 4.744 4.638 4.799 . 0 0 "[ . 1 . 2]" 1
460 1 69 SER QB 1 72 ASP H . . 4.110 2.770 2.287 3.726 . 0 0 "[ . 1 . 2]" 1
461 1 69 SER QB 1 72 ASP QB . . 4.010 2.400 1.989 3.369 . 0 0 "[ . 1 . 2]" 1
462 1 74 SER HA 1 77 TYR HB2 . . 4.060 4.071 3.818 4.145 0.085 8 0 "[ . 1 . 2]" 1
463 1 68 PHE QD 1 70 VAL HA . . 3.810 3.630 3.319 4.050 0.240 18 0 "[ . 1 . 2]" 1
464 1 14 ILE HA 1 14 ILE HG12 . . 3.700 2.744 2.456 3.148 . 0 0 "[ . 1 . 2]" 1
465 1 73 PRO HA 1 76 LEU H . . 4.520 3.579 3.229 3.647 . 0 0 "[ . 1 . 2]" 1
466 1 74 SER HA 1 76 LEU H . . 4.430 4.411 4.164 4.503 0.073 10 0 "[ . 1 . 2]" 1
467 1 18 ALA MB 1 33 TYR HA . . 4.340 2.419 1.962 3.102 . 0 0 "[ . 1 . 2]" 1
468 1 14 ILE HA 1 14 ILE HB . . 3.020 3.017 3.014 3.019 . 0 0 "[ . 1 . 2]" 1
469 1 14 ILE HA 1 14 ILE HG13 . . 3.360 3.579 3.374 3.806 0.446 9 0 "[ . 1 . 2]" 1
470 1 14 ILE HA 1 14 ILE MD . . 4.420 3.002 2.001 3.709 . 0 0 "[ . 1 . 2]" 1
471 1 33 TYR HA 1 33 TYR QE . . 4.630 4.327 4.248 4.391 . 0 0 "[ . 1 . 2]" 1
472 1 33 TYR HA 1 36 GLN H . . 3.630 3.497 3.412 3.643 0.013 16 0 "[ . 1 . 2]" 1
473 1 33 TYR HA 1 33 TYR QD . . 3.150 2.115 1.992 2.359 . 0 0 "[ . 1 . 2]" 1
474 1 86 THR HA 1 87 LEU HG . . 4.360 3.966 3.226 4.362 0.002 3 0 "[ . 1 . 2]" 1
475 1 33 TYR HA 1 37 TYR H . . 4.450 4.020 3.872 4.227 . 0 0 "[ . 1 . 2]" 1
476 1 37 TYR HA 1 40 VAL MG1 . . 3.940 2.669 2.520 2.807 . 0 0 "[ . 1 . 2]" 1
477 1 85 VAL QG 1 86 THR HA . . 4.490 3.286 2.911 3.716 . 0 0 "[ . 1 . 2]" 1
478 1 86 THR HA 1 87 LEU H . . 2.870 2.237 2.142 2.888 0.018 19 0 "[ . 1 . 2]" 1
479 1 86 THR HA 1 86 THR HB . . 2.660 2.525 2.342 2.660 . 0 0 "[ . 1 . 2]" 1
480 1 37 TYR HA 1 40 VAL HB . . 4.070 2.749 2.477 3.211 . 0 0 "[ . 1 . 2]" 1
481 1 37 TYR HA 1 37 TYR QD . . 3.810 2.592 2.303 2.704 . 0 0 "[ . 1 . 2]" 1
482 1 18 ALA HA 1 37 TYR HA . . 4.090 3.199 2.740 3.610 . 0 0 "[ . 1 . 2]" 1
483 1 7 PRO HA 1 8 LYS H . . 3.010 2.186 2.150 2.426 . 0 0 "[ . 1 . 2]" 1
484 1 7 PRO HA 1 11 LEU HB2 . . 3.490 2.874 2.408 3.808 0.318 12 0 "[ . 1 . 2]" 1
485 1 7 PRO HA 1 85 VAL QG . . 4.320 3.776 1.905 4.334 0.014 9 0 "[ . 1 . 2]" 1
486 1 7 PRO HA 1 11 LEU QD . . 3.280 2.497 1.858 3.228 . 0 0 "[ . 1 . 2]" 1
487 1 85 VAL HA 1 86 THR H . . 3.150 2.334 2.159 3.308 0.158 19 0 "[ . 1 . 2]" 1
488 1 85 VAL HA 1 85 VAL QG . . 3.080 2.050 1.925 2.433 . 0 0 "[ . 1 . 2]" 1
489 1 74 SER QB 1 76 LEU H . . 4.230 4.180 4.117 4.383 0.153 13 0 "[ . 1 . 2]" 1
490 1 74 SER QB 1 75 PRO HD3 . . 3.760 1.812 1.772 1.894 . 0 0 "[ . 1 . 2]" 1
491 1 74 SER QB 1 75 PRO HG3 . . 4.160 3.786 3.705 4.063 . 0 0 "[ . 1 . 2]" 1
492 1 74 SER HA 1 74 SER QB . . 2.670 2.441 2.159 2.534 . 0 0 "[ . 1 . 2]" 1
493 1 37 TYR HA 1 40 VAL H . . 4.400 3.503 3.403 3.682 . 0 0 "[ . 1 . 2]" 1
494 1 36 GLN H 1 37 TYR HA . . 5.340 5.297 5.189 5.348 0.008 9 0 "[ . 1 . 2]" 1
495 1 5 VAL QG 1 26 THR HA . . 4.590 2.867 2.147 3.711 . 0 0 "[ . 1 . 2]" 1
496 1 2 ILE HA 1 27 VAL H . . 4.210 3.969 3.205 4.386 0.176 15 0 "[ . 1 . 2]" 1
497 1 2 ILE HA 1 3 ASN H . . 3.460 2.430 2.141 2.836 . 0 0 "[ . 1 . 2]" 1
498 1 2 ILE HA 1 2 ILE HG12 . . 4.080 3.444 2.814 4.137 0.057 18 0 "[ . 1 . 2]" 1
499 1 2 ILE HA 1 2 ILE HG13 . . 3.870 3.672 3.482 3.901 0.031 9 0 "[ . 1 . 2]" 1
500 1 2 ILE HA 1 2 ILE MG . . 3.320 2.292 1.983 2.563 . 0 0 "[ . 1 . 2]" 1
501 1 77 TYR HA 1 80 LEU HB2 . . 3.610 2.531 2.375 2.629 . 0 0 "[ . 1 . 2]" 1
502 1 77 TYR HA 1 80 LEU HB3 . . 4.180 4.175 4.003 4.262 0.082 7 0 "[ . 1 . 2]" 1
503 1 77 TYR HA 1 80 LEU QD . . 3.890 2.437 1.994 2.851 . 0 0 "[ . 1 . 2]" 1
504 1 77 TYR HA 1 80 LEU H . . 4.040 3.361 3.189 3.544 . 0 0 "[ . 1 . 2]" 1
505 1 52 VAL HA 1 52 VAL QG . . 3.330 2.143 2.064 2.594 . 0 0 "[ . 1 . 2]" 1
506 1 51 MET HA 1 52 VAL HA . . 4.790 4.453 4.387 4.780 . 0 0 "[ . 1 . 2]" 1
507 1 5 VAL H 1 26 THR HA . . 3.860 3.182 2.251 3.712 . 0 0 "[ . 1 . 2]" 1
508 1 26 THR HA 1 27 VAL H . . 2.810 2.542 2.359 2.654 . 0 0 "[ . 1 . 2]" 1
509 1 26 THR HA 1 26 THR HB . . 2.840 2.775 2.625 2.865 0.025 14 0 "[ . 1 . 2]" 1
510 1 32 HIS HA 1 32 HIS HD2 . . 4.630 3.319 3.210 3.392 . 0 0 "[ . 1 . 2]" 1
511 1 32 HIS HA 2 9 TRP HE1 . . 4.200 2.036 1.930 2.365 . 0 0 "[ . 1 . 2]" 1
512 1 28 LYS HA 1 28 LYS HG2 . . 4.080 3.469 2.863 4.208 0.128 17 0 "[ . 1 . 2]" 1
513 1 27 VAL QG 1 28 LYS HA . . 4.620 3.595 2.696 4.161 . 0 0 "[ . 1 . 2]" 1
514 1 28 LYS HA 1 31 MET QG . . 3.720 3.014 2.504 3.390 . 0 0 "[ . 1 . 2]" 1
515 1 28 LYS HA 1 31 MET HB2 . . 4.570 4.520 4.160 4.612 0.042 16 0 "[ . 1 . 2]" 1
516 1 9 LEU HA 1 9 LEU QB . . 2.620 2.285 2.136 2.489 . 0 0 "[ . 1 . 2]" 1
517 1 9 LEU HA 1 11 LEU H . . 4.260 3.905 3.769 4.266 0.006 4 0 "[ . 1 . 2]" 1
518 1 13 LYS HA 1 16 HIS H . . 3.980 3.472 3.420 3.547 . 0 0 "[ . 1 . 2]" 1
519 1 13 LYS HA 1 16 HIS QB . . 3.370 2.095 2.020 2.234 . 0 0 "[ . 1 . 2]" 1
520 1 13 LYS HA 1 13 LYS HB2 . . 2.950 2.552 2.284 3.014 0.064 6 0 "[ . 1 . 2]" 1
521 1 29 GLU HA 1 32 HIS HB3 . . 3.250 3.200 3.009 3.274 0.024 17 0 "[ . 1 . 2]" 1
522 1 81 ARG HA 1 81 ARG HB3 . . 2.900 2.798 2.607 2.984 0.084 2 0 "[ . 1 . 2]" 1
523 1 79 MET HA 1 79 MET HB2 . . 2.620 2.333 2.235 2.413 . 0 0 "[ . 1 . 2]" 1
524 1 39 MET HA 1 44 TYR QE . . 3.160 2.024 1.980 2.428 . 0 0 "[ . 1 . 2]" 1
525 1 39 MET HA 1 44 TYR QD . . 3.910 3.292 2.719 3.549 . 0 0 "[ . 1 . 2]" 1
526 1 39 MET HA 1 39 MET HB2 . . 2.820 2.251 2.230 2.332 . 0 0 "[ . 1 . 2]" 1
527 1 5 VAL HA 1 6 ARG H . . 2.840 2.478 2.243 2.533 . 0 0 "[ . 1 . 2]" 1
528 1 5 VAL HA 1 87 LEU QD . . 3.120 2.515 1.936 3.060 . 0 0 "[ . 1 . 2]" 1
529 1 5 VAL HA 1 86 THR HA . . 3.590 2.582 1.979 3.177 . 0 0 "[ . 1 . 2]" 1
530 1 39 MET HA 1 42 GLN H . . 3.420 3.328 3.226 3.483 0.063 13 0 "[ . 1 . 2]" 1
531 1 34 LEU HA 1 37 TYR QD . . 4.280 4.150 3.593 4.289 0.009 3 0 "[ . 1 . 2]" 1
532 1 46 GLN HA 1 46 GLN QE . . 3.700 3.054 2.091 3.696 . 0 0 "[ . 1 . 2]" 1
533 1 46 GLN HA 1 49 GLN HE21 . . 3.290 3.240 2.964 3.311 0.021 18 0 "[ . 1 . 2]" 1
534 1 46 GLN HA 1 46 GLN HB3 . . 2.650 2.563 2.350 2.688 0.038 3 0 "[ . 1 . 2]" 1
535 1 80 LEU HA 1 82 LYS H . . 4.230 4.295 4.193 4.420 0.190 15 0 "[ . 1 . 2]" 1
536 1 80 LEU HA 1 84 LEU QB . . 3.660 2.661 2.291 3.072 . 0 0 "[ . 1 . 2]" 1
537 1 80 LEU HA 1 83 ASN H . . 3.790 2.872 2.792 2.945 . 0 0 "[ . 1 . 2]" 1
538 1 80 LEU HA 1 83 ASN HB3 . . 3.990 1.878 1.806 1.988 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU HA 1 37 TYR HB2 . . 3.630 3.553 3.246 3.651 0.021 19 0 "[ . 1 . 2]" 1
540 1 14 ILE MG 1 34 LEU HA . . 3.990 3.930 3.570 4.044 0.054 15 0 "[ . 1 . 2]" 1
541 1 34 LEU HA 1 37 TYR H . . 3.830 3.608 3.455 3.663 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU HA 1 37 TYR HB3 . . 3.250 2.827 2.495 2.978 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU HA 1 34 LEU QD . . 2.910 1.930 1.824 2.947 0.037 16 0 "[ . 1 . 2]" 1
544 1 59 LEU HA 1 59 LEU HB2 . . 2.960 2.338 2.237 2.498 . 0 0 "[ . 1 . 2]" 1
545 1 15 LEU HA 1 33 TYR HB3 . . 4.200 2.122 1.977 2.600 . 0 0 "[ . 1 . 2]" 1
546 1 15 LEU HA 1 17 ALA H . . 4.620 4.470 4.319 4.590 . 0 0 "[ . 1 . 2]" 1
547 1 15 LEU HA 1 15 LEU QD . . 3.030 2.002 1.924 2.323 . 0 0 "[ . 1 . 2]" 1
548 1 7 PRO HG2 1 12 LEU HA . . 4.000 3.541 3.035 4.007 0.007 12 0 "[ . 1 . 2]" 1
549 1 7 PRO QB 1 12 LEU HA . . 3.120 2.285 1.992 3.112 . 0 0 "[ . 1 . 2]" 1
550 1 12 LEU HA 1 15 LEU H . . 3.870 3.678 3.555 3.791 . 0 0 "[ . 1 . 2]" 1
551 1 31 MET HA 1 34 LEU QD . . 4.000 2.695 1.766 3.310 . 0 0 "[ . 1 . 2]" 1
552 1 78 ASP HA 1 78 ASP HB2 . . 2.840 2.686 2.514 2.757 . 0 0 "[ . 1 . 2]" 1
553 1 8 LYS HA 1 8 LYS QG . . 3.070 2.489 2.111 2.976 . 0 0 "[ . 1 . 2]" 1
554 1 14 ILE MG 1 15 LEU HA . . 4.470 3.517 3.451 3.593 . 0 0 "[ . 1 . 2]" 1
555 1 76 LEU HA 1 79 MET HB3 . . 3.910 3.230 2.877 3.439 . 0 0 "[ . 1 . 2]" 1
556 1 15 LEU HA 1 15 LEU HB3 . . 2.900 2.381 2.310 2.510 . 0 0 "[ . 1 . 2]" 1
557 1 12 LEU HA 1 14 ILE H . . 4.440 4.032 3.943 4.153 . 0 0 "[ . 1 . 2]" 1
558 1 12 LEU HA 1 16 HIS H . . 4.100 4.113 4.060 4.140 0.040 9 0 "[ . 1 . 2]" 1
559 1 67 SER HA 1 68 PHE H . . 3.010 2.304 2.176 2.639 . 0 0 "[ . 1 . 2]" 1
560 1 54 CYS H 1 67 SER HA . . 3.390 2.506 2.015 2.901 . 0 0 "[ . 1 . 2]" 1
561 1 53 TYR HA 1 67 SER HA . . 3.160 2.878 2.453 3.202 0.042 19 0 "[ . 1 . 2]" 1
562 1 51 MET ME 1 67 SER HA . . 4.880 4.215 3.427 4.805 . 0 0 "[ . 1 . 2]" 1
563 1 25 PHE HA 1 26 THR H . . 2.890 2.320 2.202 2.469 . 0 0 "[ . 1 . 2]" 1
564 1 25 PHE HA 1 25 PHE QD . . 3.420 3.049 2.753 3.166 . 0 0 "[ . 1 . 2]" 1
565 1 25 PHE HA 1 29 GLU HB2 . . 3.860 3.513 3.103 3.884 0.024 11 0 "[ . 1 . 2]" 1
566 1 25 PHE HA 1 30 VAL MG2 . . 4.550 4.378 3.930 4.590 0.040 8 0 "[ . 1 . 2]" 1
567 1 68 PHE HA 1 69 SER H . . 3.120 2.304 2.232 2.632 . 0 0 "[ . 1 . 2]" 1
568 1 68 PHE HA 1 68 PHE HB2 . . 3.000 2.474 2.403 2.650 . 0 0 "[ . 1 . 2]" 1
569 1 31 MET HA 1 34 LEU HG . . 4.140 3.748 3.345 4.202 0.062 16 0 "[ . 1 . 2]" 1
570 1 31 MET HA 1 34 LEU H . . 3.850 3.270 3.119 3.503 . 0 0 "[ . 1 . 2]" 1
571 1 31 MET HA 2 9 TRP HZ2 . . 3.800 3.509 2.916 3.818 0.018 14 0 "[ . 1 . 2]" 1
572 1 47 GLN HA 1 47 GLN HB2 . . 2.970 2.966 2.602 3.021 0.051 9 0 "[ . 1 . 2]" 1
573 1 47 GLN HA 1 47 GLN QG . . 3.250 3.126 2.563 3.423 0.173 4 0 "[ . 1 . 2]" 1
574 1 78 ASP HA 1 81 ARG H . . 3.840 3.818 3.650 3.883 0.043 15 0 "[ . 1 . 2]" 1
575 1 78 ASP HA 1 81 ARG HB2 . . 3.540 3.642 2.821 4.477 0.937 10 8 "[ * * +**- . * *2]" 1
576 1 8 LYS HA 1 9 LEU H . . 3.120 2.701 2.348 2.913 . 0 0 "[ . 1 . 2]" 1
577 1 71 LYS HA 1 73 PRO HD3 . . 4.170 3.997 3.770 4.191 0.021 15 0 "[ . 1 . 2]" 1
578 1 62 LEU HA 1 62 LEU QD . . 3.050 1.994 1.857 2.382 . 0 0 "[ . 1 . 2]" 1
579 1 76 LEU HA 1 78 ASP H . . 4.810 4.499 4.025 4.728 . 0 0 "[ . 1 . 2]" 1
580 1 42 GLN HA 1 43 LEU H . . 3.250 2.608 2.355 3.240 . 0 0 "[ . 1 . 2]" 1
581 1 42 GLN H 1 42 GLN HA . . 2.750 2.278 2.274 2.285 . 0 0 "[ . 1 . 2]" 1
582 1 39 MET HA 1 42 GLN HA . . 4.090 3.359 3.201 3.803 . 0 0 "[ . 1 . 2]" 1
583 1 42 GLN HA 1 44 TYR QD . . 3.930 2.919 2.574 3.293 . 0 0 "[ . 1 . 2]" 1
584 1 54 CYS HA 1 59 LEU QD . . 3.760 2.059 1.853 3.256 . 0 0 "[ . 1 . 2]" 1
585 1 4 GLN HA 1 26 THR MG . . 4.750 2.211 1.929 2.774 . 0 0 "[ . 1 . 2]" 1
586 1 11 LEU HA 1 14 ILE MG . . 4.190 4.220 4.184 4.258 0.068 5 0 "[ . 1 . 2]" 1
587 1 11 LEU HA 1 14 ILE HB . . 3.440 3.369 3.272 3.441 0.001 5 0 "[ . 1 . 2]" 1
588 1 11 LEU HA 1 11 LEU QD . . 3.020 1.998 1.858 2.492 . 0 0 "[ . 1 . 2]" 1
589 1 11 LEU HA 1 14 ILE MD . . 4.320 3.002 2.318 3.779 . 0 0 "[ . 1 . 2]" 1
590 1 41 LYS HA 1 41 LYS HD3 . . 3.170 2.565 2.025 3.578 0.408 4 0 "[ . 1 . 2]" 1
591 1 63 LEU HA 1 63 LEU QD . . 3.390 2.542 1.893 2.931 . 0 0 "[ . 1 . 2]" 1
592 1 4 GLN HA 1 5 VAL H . . 3.000 2.424 2.180 2.602 . 0 0 "[ . 1 . 2]" 1
593 1 4 GLN HA 1 26 THR HA . . 4.160 2.055 1.965 2.397 . 0 0 "[ . 1 . 2]" 1
594 1 50 HIS HA 2 8 LEU QD . . 3.540 2.662 1.861 3.270 . 0 0 "[ . 1 . 2]" 1
595 1 82 LYS HG2 1 83 ASN HA . . 4.270 3.495 3.417 3.629 . 0 0 "[ . 1 . 2]" 1
596 1 48 GLU HA 1 49 GLN H . . 2.800 2.261 2.208 2.368 . 0 0 "[ . 1 . 2]" 1
597 1 48 GLU HA 1 50 HIS H . . 4.310 3.272 3.146 3.508 . 0 0 "[ . 1 . 2]" 1
598 1 48 GLU HA 1 48 GLU HG2 . . 4.200 2.867 2.335 3.711 . 0 0 "[ . 1 . 2]" 1
599 1 21 GLN HA 1 21 GLN HE21 . . 4.640 2.324 1.943 2.844 . 0 0 "[ . 1 . 2]" 1
600 1 16 HIS HA 1 21 GLN HA . . 3.770 3.726 3.611 3.790 0.020 14 0 "[ . 1 . 2]" 1
601 1 86 THR HB 1 87 LEU HA . . 4.690 4.570 4.390 4.724 0.034 19 0 "[ . 1 . 2]" 1
602 1 20 ALA MB 1 21 GLN HA . . 4.810 3.725 3.667 3.766 . 0 0 "[ . 1 . 2]" 1
603 1 16 HIS QB 1 17 ALA HA . . 4.430 3.815 3.766 3.851 . 0 0 "[ . 1 . 2]" 1
604 1 69 SER HA 1 70 VAL H . . 3.010 2.197 2.175 2.284 . 0 0 "[ . 1 . 2]" 1
605 1 51 MET HA 1 69 SER HA . . 3.330 2.198 1.979 2.763 . 0 0 "[ . 1 . 2]" 1
606 1 69 SER HA 1 71 LYS H . . 4.380 3.969 3.658 4.114 . 0 0 "[ . 1 . 2]" 1
607 1 44 TYR HA 1 45 ASP QB . . 4.580 4.143 4.078 4.193 . 0 0 "[ . 1 . 2]" 1
608 1 44 TYR HA 1 45 ASP H . . 2.940 2.450 2.363 2.631 . 0 0 "[ . 1 . 2]" 1
609 1 44 TYR HA 1 52 VAL HA . . 3.000 2.404 1.992 2.858 . 0 0 "[ . 1 . 2]" 1
610 1 44 TYR HA 1 52 VAL QG . . 4.250 3.356 2.977 3.695 . 0 0 "[ . 1 . 2]" 1
611 1 24 MET HA 1 25 PHE H . . 2.680 2.214 2.159 2.329 . 0 0 "[ . 1 . 2]" 1
612 1 5 VAL QG 1 24 MET HA . . 4.890 3.905 3.345 4.812 . 0 0 "[ . 1 . 2]" 1
613 1 45 ASP HA 1 46 GLN H . . 2.630 2.155 2.139 2.191 . 0 0 "[ . 1 . 2]" 1
614 1 51 MET HA 1 52 VAL H . . 3.150 2.217 2.143 2.711 . 0 0 "[ . 1 . 2]" 1
615 1 6 ARG HA 1 24 MET HA . . 3.250 3.149 2.726 3.264 0.014 5 0 "[ . 1 . 2]" 1
616 1 6 ARG HA 1 87 LEU QD . . 4.690 4.066 3.511 4.596 . 0 0 "[ . 1 . 2]" 1
617 1 6 ARG HA 1 7 PRO HD2 . . 3.080 1.939 1.912 1.997 . 0 0 "[ . 1 . 2]" 1
618 1 6 ARG HA 1 6 ARG HG2 . . 3.630 2.720 2.246 3.520 . 0 0 "[ . 1 . 2]" 1
619 1 5 VAL QG 1 6 ARG HA . . 4.670 3.314 2.818 3.720 . 0 0 "[ . 1 . 2]" 1
620 1 20 ALA HA 1 21 GLN H . . 2.940 2.555 2.485 2.654 . 0 0 "[ . 1 . 2]" 1
621 1 16 HIS HA 1 20 ALA HA . . 4.180 4.184 4.048 4.223 0.043 20 0 "[ . 1 . 2]" 1
622 1 72 ASP HA 1 73 PRO HG2 . . 4.380 4.122 4.115 4.142 . 0 0 "[ . 1 . 2]" 1
623 1 72 ASP HA 1 73 PRO HD2 . . 3.050 1.933 1.914 1.971 . 0 0 "[ . 1 . 2]" 1
624 1 72 ASP HA 1 73 PRO HD3 . . 3.270 2.617 2.512 2.728 . 0 0 "[ . 1 . 2]" 1
625 1 7 PRO HD2 1 25 PHE QD . . 3.730 2.971 2.581 3.446 . 0 0 "[ . 1 . 2]" 1
626 1 7 PRO HD2 1 24 MET HA . . 4.190 2.960 2.523 3.295 . 0 0 "[ . 1 . 2]" 1
627 1 7 PRO HD2 1 25 PHE H . . 4.640 3.945 3.690 4.179 . 0 0 "[ . 1 . 2]" 1
628 1 7 PRO HD3 1 25 PHE QD . . 3.750 2.634 2.001 3.330 . 0 0 "[ . 1 . 2]" 1
629 1 7 PRO HD3 1 24 MET HA . . 4.280 3.750 3.434 4.288 0.008 11 0 "[ . 1 . 2]" 1
630 1 6 ARG HA 1 7 PRO HD3 . . 3.270 2.576 2.339 2.778 . 0 0 "[ . 1 . 2]" 1
631 1 7 PRO HD3 1 30 VAL MG2 . . 4.750 3.760 3.283 4.290 . 0 0 "[ . 1 . 2]" 1
632 1 74 SER H 1 75 PRO HD2 . . 3.890 1.818 1.766 2.122 . 0 0 "[ . 1 . 2]" 1
633 1 75 PRO HD2 1 76 LEU H . . 4.020 2.666 2.652 2.716 . 0 0 "[ . 1 . 2]" 1
634 1 9 LEU QB 1 10 PRO HD3 . . 2.950 1.948 1.797 2.135 . 0 0 "[ . 1 . 2]" 1
635 1 9 LEU H 1 10 PRO HD3 . . 4.400 3.223 3.028 3.450 . 0 0 "[ . 1 . 2]" 1
636 1 10 PRO HD3 1 11 LEU H . . 4.590 3.956 3.856 4.004 . 0 0 "[ . 1 . 2]" 1
637 1 72 ASP H 1 73 PRO HD2 . . 4.550 4.395 4.221 4.566 0.016 14 0 "[ . 1 . 2]" 1
638 1 9 LEU QB 1 10 PRO HD2 . . 3.260 2.630 2.234 3.080 . 0 0 "[ . 1 . 2]" 1
639 1 10 PRO HD2 1 11 LEU H . . 3.770 2.861 2.674 2.954 . 0 0 "[ . 1 . 2]" 1
640 1 8 LYS HB3 1 10 PRO HD2 . . 2.830 2.443 1.858 3.064 0.234 6 0 "[ . 1 . 2]" 1
641 1 72 ASP H 1 73 PRO HD3 . . 4.080 3.822 3.544 4.120 0.040 14 0 "[ . 1 . 2]" 1
642 1 59 LEU H 1 60 GLY QA . . 4.540 4.576 4.544 4.612 0.072 18 0 "[ . 1 . 2]" 1
643 1 54 CYS HB3 1 60 GLY QA . . 4.420 3.080 1.989 4.262 . 0 0 "[ . 1 . 2]" 1
644 1 59 LEU HG 1 60 GLY QA . . 3.650 3.007 2.797 3.540 . 0 0 "[ . 1 . 2]" 1
645 1 57 ASP HB3 1 59 LEU QD . . 4.320 2.046 1.831 2.813 . 0 0 "[ . 1 . 2]" 1
646 1 57 ASP HB3 1 59 LEU H . . 3.900 2.814 2.631 2.919 . 0 0 "[ . 1 . 2]" 1
647 1 57 ASP HB2 1 60 GLY H . . 4.240 3.878 3.523 4.241 0.001 10 0 "[ . 1 . 2]" 1
648 1 43 LEU QD 1 57 ASP HB2 . . 4.300 1.970 1.668 2.410 . 0 0 "[ . 1 . 2]" 1
649 1 25 PHE HB3 1 29 GLU HB2 . . 3.730 2.282 1.994 2.833 . 0 0 "[ . 1 . 2]" 1
650 1 25 PHE HB3 1 26 THR H . . 3.570 2.672 2.326 3.024 . 0 0 "[ . 1 . 2]" 1
651 1 25 PHE HB3 1 29 GLU H . . 4.460 4.492 4.398 4.611 0.151 12 0 "[ . 1 . 2]" 1
652 1 25 PHE HB2 1 26 THR H . . 4.400 3.684 3.386 3.953 . 0 0 "[ . 1 . 2]" 1
653 1 25 PHE H 1 25 PHE HB2 . . 3.800 3.065 3.001 3.115 . 0 0 "[ . 1 . 2]" 1
654 1 7 PRO HG3 1 25 PHE HB2 . . 3.980 3.989 3.890 4.022 0.042 5 0 "[ . 1 . 2]" 1
655 1 25 PHE HB2 1 29 GLU HB2 . . 4.510 3.735 3.294 4.335 . 0 0 "[ . 1 . 2]" 1
656 1 35 GLY HA3 2 5 PHE QE . . 4.220 3.634 2.549 4.057 . 0 0 "[ . 1 . 2]" 1
657 1 35 GLY HA3 2 9 TRP HE1 . . 4.590 3.179 2.851 3.392 . 0 0 "[ . 1 . 2]" 1
658 1 35 GLY HA3 2 5 PHE HZ . . 4.550 4.209 3.339 4.628 0.078 7 0 "[ . 1 . 2]" 1
659 1 22 GLY HA3 1 25 PHE HZ . . 4.680 2.525 2.044 3.156 . 0 0 "[ . 1 . 2]" 1
660 1 21 GLN HA 1 22 GLY HA3 . . 4.380 4.392 4.373 4.422 0.042 20 0 "[ . 1 . 2]" 1
661 1 22 GLY HA3 1 23 GLU HA . . 4.410 4.369 4.343 4.437 0.027 5 0 "[ . 1 . 2]" 1
662 1 65 ARG HA 1 65 ARG QD . . 3.120 2.414 1.958 3.444 0.324 20 0 "[ . 1 . 2]" 1
663 1 63 LEU QD 1 65 ARG QD . . 5.080 3.743 1.862 4.702 . 0 0 "[ . 1 . 2]" 1
664 1 78 ASP HA 1 81 ARG QD . . 4.390 3.256 1.772 4.403 0.013 2 0 "[ . 1 . 2]" 1
665 1 81 ARG HA 1 81 ARG QD . . 4.560 4.121 3.866 4.354 . 0 0 "[ . 1 . 2]" 1
666 1 6 ARG QD 1 87 LEU QD . . 3.970 2.561 1.825 3.205 . 0 0 "[ . 1 . 2]" 1
667 1 6 ARG HB2 1 6 ARG QD . . 3.160 2.350 2.045 2.733 . 0 0 "[ . 1 . 2]" 1
668 1 63 LEU HB3 1 65 ARG HG2 . . 3.710 2.634 2.084 4.306 0.596 20 1 "[ . 1 . +]" 1
669 1 63 LEU HB3 1 79 MET HB2 . . 4.420 4.269 3.873 4.451 0.031 20 0 "[ . 1 . 2]" 1
670 1 63 LEU HB3 1 65 ARG QD . . 4.440 4.093 1.731 4.494 0.054 12 0 "[ . 1 . 2]" 1
671 1 45 ASP QB 1 53 TYR QD . . 4.520 3.171 2.540 3.853 . 0 0 "[ . 1 . 2]" 1
672 1 45 ASP QB 1 53 TYR QE . . 3.700 2.573 2.004 3.458 . 0 0 "[ . 1 . 2]" 1
673 1 45 ASP QB 1 48 GLU QB . . 3.930 2.814 2.331 3.730 . 0 0 "[ . 1 . 2]" 1
674 1 44 TYR QB 1 45 ASP QB . . 5.460 4.068 3.944 4.164 . 0 0 "[ . 1 . 2]" 1
675 1 31 MET HA 1 34 LEU HB3 . . 4.320 4.137 3.805 4.343 0.023 20 0 "[ . 1 . 2]" 1
676 1 81 ARG H 1 82 LYS QE . . 4.510 4.024 3.634 4.475 . 0 0 "[ . 1 . 2]" 1
677 1 82 LYS QE 1 82 LYS HG2 . . 3.720 3.367 3.303 3.550 . 0 0 "[ . 1 . 2]" 1
678 1 41 LYS H 1 41 LYS QE . . 4.390 3.976 3.525 4.384 . 0 0 "[ . 1 . 2]" 1
679 1 41 LYS HA 1 41 LYS QE . . 4.180 2.061 1.914 2.366 . 0 0 "[ . 1 . 2]" 1
680 1 82 LYS QD 1 83 ASN HB2 . . 4.060 2.772 2.409 3.217 . 0 0 "[ . 1 . 2]" 1
681 1 62 LEU QD 1 83 ASN HB2 . . 3.750 2.357 1.841 3.445 . 0 0 "[ . 1 . 2]" 1
682 1 83 ASN H 1 83 ASN HB2 . . 3.550 3.034 2.359 3.341 . 0 0 "[ . 1 . 2]" 1
683 1 83 ASN H 1 83 ASN HB3 . . 3.200 2.388 2.179 3.001 . 0 0 "[ . 1 . 2]" 1
684 1 79 MET QG 1 83 ASN HB3 . . 4.040 2.571 2.348 3.383 . 0 0 "[ . 1 . 2]" 1
685 1 82 LYS QD 1 83 ASN HB3 . . 4.150 3.261 2.818 3.945 . 0 0 "[ . 1 . 2]" 1
686 1 34 LEU H 1 34 LEU HB2 . . 3.290 2.087 2.060 2.274 . 0 0 "[ . 1 . 2]" 1
687 1 34 LEU HB2 2 9 TRP HZ2 . . 3.690 2.025 1.941 2.196 . 0 0 "[ . 1 . 2]" 1
688 1 31 MET HA 1 34 LEU HB2 . . 3.970 2.559 2.269 2.742 . 0 0 "[ . 1 . 2]" 1
689 1 59 LEU H 1 59 LEU HB2 . . 3.710 3.523 3.413 3.583 . 0 0 "[ . 1 . 2]" 1
690 1 34 LEU HB3 1 35 GLY HA3 . . 4.140 4.368 4.288 4.724 0.584 16 1 "[ . 1 .+ 2]" 1
691 1 34 LEU H 1 34 LEU HB3 . . 3.570 3.389 3.344 3.540 . 0 0 "[ . 1 . 2]" 1
692 1 34 LEU HB3 2 9 TRP HZ2 . . 3.520 2.020 1.964 2.689 . 0 0 "[ . 1 . 2]" 1
693 1 38 ILE MG 1 43 LEU QB . . 3.520 2.132 1.919 2.727 . 0 0 "[ . 1 . 2]" 1
694 1 38 ILE HA 1 43 LEU QB . . 3.390 3.145 2.624 3.350 . 0 0 "[ . 1 . 2]" 1
695 1 62 LEU QB 1 63 LEU H . . 3.770 2.551 2.261 2.773 . 0 0 "[ . 1 . 2]" 1
696 1 14 ILE MD 1 58 LEU HB2 . . 4.110 3.942 2.387 4.133 0.023 20 0 "[ . 1 . 2]" 1
697 1 14 ILE MD 1 58 LEU HB3 . . 3.940 3.226 1.920 3.940 0.000 10 0 "[ . 1 . 2]" 1
698 1 58 LEU HB3 1 59 LEU H . . 3.440 3.009 2.333 3.447 0.007 12 0 "[ . 1 . 2]" 1
699 1 26 THR HB 1 28 LYS QE . . 4.350 3.094 1.987 3.939 . 0 0 "[ . 1 . 2]" 1
700 1 28 LYS HB2 1 28 LYS QE . . 4.400 2.914 1.968 4.564 0.164 4 0 "[ . 1 . 2]" 1
701 1 27 VAL QG 1 28 LYS QE . . 4.940 4.110 2.436 4.610 . 0 0 "[ . 1 . 2]" 1
702 1 28 LYS QE 1 29 GLU H . . 4.440 4.099 3.541 4.351 . 0 0 "[ . 1 . 2]" 1
703 1 81 ARG QD 1 82 LYS QE . . 3.600 3.438 3.107 3.603 0.003 11 0 "[ . 1 . 2]" 1
704 1 41 LYS HB3 1 41 LYS QE . . 4.020 3.350 1.935 3.940 . 0 0 "[ . 1 . 2]" 1
705 1 71 LYS QE 1 71 LYS HG3 . . 3.090 2.691 2.069 3.373 0.283 14 0 "[ . 1 . 2]" 1
706 1 50 HIS H 1 71 LYS QE . . 4.560 4.529 4.275 4.690 0.130 15 0 "[ . 1 . 2]" 1
707 1 50 HIS HA 1 71 LYS QE . . 4.590 4.046 3.200 4.611 0.021 2 0 "[ . 1 . 2]" 1
708 1 71 LYS QB 1 71 LYS QE . . 3.950 2.239 1.926 2.653 . 0 0 "[ . 1 . 2]" 1
709 1 11 LEU H 1 11 LEU HB2 . . 3.640 2.339 2.126 2.591 . 0 0 "[ . 1 . 2]" 1
710 1 9 LEU HA 1 12 LEU HB2 . . 3.630 3.207 2.690 3.774 0.144 20 0 "[ . 1 . 2]" 1
711 1 43 LEU H 1 43 LEU QB . . 3.770 2.538 2.094 2.785 . 0 0 "[ . 1 . 2]" 1
712 1 58 LEU HB2 1 59 LEU H . . 4.260 2.622 2.225 3.572 . 0 0 "[ . 1 . 2]" 1
713 1 76 LEU HB3 1 77 TYR H . . 3.190 2.210 2.100 2.375 . 0 0 "[ . 1 . 2]" 1
714 1 12 LEU H 1 12 LEU HB3 . . 3.370 2.806 2.407 3.057 . 0 0 "[ . 1 . 2]" 1
715 1 78 ASP H 1 78 ASP HB3 . . 3.240 3.000 2.660 3.151 . 0 0 "[ . 1 . 2]" 1
716 1 11 LEU HB2 1 12 LEU H . . 4.120 3.261 2.518 3.577 . 0 0 "[ . 1 . 2]" 1
717 1 12 LEU HB2 1 13 LYS H . . 3.920 3.520 3.194 3.815 . 0 0 "[ . 1 . 2]" 1
718 1 80 LEU HB3 1 81 ARG H . . 4.330 3.725 3.559 3.874 . 0 0 "[ . 1 . 2]" 1
719 1 80 LEU H 1 80 LEU HB3 . . 3.950 3.578 3.561 3.588 . 0 0 "[ . 1 . 2]" 1
720 1 12 LEU HB3 1 13 LYS H . . 4.200 2.529 2.251 2.773 . 0 0 "[ . 1 . 2]" 1
721 1 9 LEU HA 1 12 LEU HB3 . . 3.760 3.558 2.915 3.804 0.044 8 0 "[ . 1 . 2]" 1
722 1 76 LEU H 1 76 LEU HB2 . . 3.450 2.440 2.338 2.570 . 0 0 "[ . 1 . 2]" 1
723 1 68 PHE HB3 1 69 SER H . . 3.920 3.893 3.240 3.971 0.051 9 0 "[ . 1 . 2]" 1
724 1 78 ASP HA 1 78 ASP HB3 . . 2.980 2.967 2.928 3.023 0.043 14 0 "[ . 1 . 2]" 1
725 1 78 ASP HB3 1 79 MET HA . . 4.310 3.993 3.902 4.198 . 0 0 "[ . 1 . 2]" 1
726 1 78 ASP H 1 78 ASP HB2 . . 3.160 2.159 2.089 2.408 . 0 0 "[ . 1 . 2]" 1
727 1 78 ASP HB2 1 79 MET H . . 3.630 3.568 3.353 3.758 0.128 14 0 "[ . 1 . 2]" 1
728 1 80 LEU HB2 1 81 ARG H . . 4.280 2.781 2.641 2.917 . 0 0 "[ . 1 . 2]" 1
729 1 33 TYR HB3 1 34 LEU H . . 3.790 3.721 3.521 3.810 0.020 6 0 "[ . 1 . 2]" 1
730 1 9 LEU H 1 9 LEU QB . . 3.630 2.461 2.081 2.937 . 0 0 "[ . 1 . 2]" 1
731 1 44 TYR QB 1 52 VAL QG . . 4.340 2.586 2.382 3.174 . 0 0 "[ . 1 . 2]" 1
732 1 38 ILE MG 1 44 TYR QB . . 4.970 2.233 1.808 2.618 . 0 0 "[ . 1 . 2]" 1
733 1 33 TYR H 1 33 TYR HB3 . . 3.870 3.590 3.564 3.603 . 0 0 "[ . 1 . 2]" 1
734 1 3 ASN HB3 1 4 GLN H . . 3.840 2.968 1.924 3.880 0.040 20 0 "[ . 1 . 2]" 1
735 1 33 TYR H 1 33 TYR HB2 . . 3.340 2.405 2.308 2.475 . 0 0 "[ . 1 . 2]" 1
736 1 15 LEU HB3 1 33 TYR QD . . 4.500 2.584 2.164 3.555 . 0 0 "[ . 1 . 2]" 1
737 1 15 LEU HB3 1 16 HIS H . . 4.190 3.842 3.537 4.010 . 0 0 "[ . 1 . 2]" 1
738 1 15 LEU H 1 15 LEU HB3 . . 3.840 3.588 3.563 3.597 . 0 0 "[ . 1 . 2]" 1
739 1 14 ILE MG 1 37 TYR HB3 . . 4.850 3.803 3.501 4.036 . 0 0 "[ . 1 . 2]" 1
740 1 34 LEU QD 1 37 TYR HB3 . . 4.640 3.291 3.053 4.451 . 0 0 "[ . 1 . 2]" 1
741 1 53 TYR H 1 53 TYR HB3 . . 3.550 3.586 3.486 3.717 0.167 18 0 "[ . 1 . 2]" 1
742 1 53 TYR HB3 1 67 SER QB . . 4.730 4.139 3.893 4.464 . 0 0 "[ . 1 . 2]" 1
743 1 52 VAL QG 1 53 TYR HB3 . . 5.010 4.743 4.446 4.913 . 0 0 "[ . 1 . 2]" 1
744 1 14 ILE MG 1 37 TYR HB2 . . 4.300 3.376 2.876 3.811 . 0 0 "[ . 1 . 2]" 1
745 1 37 TYR HB2 1 38 ILE H . . 4.520 3.818 3.652 3.932 . 0 0 "[ . 1 . 2]" 1
746 1 53 TYR H 1 53 TYR HB2 . . 3.390 2.422 2.309 2.577 . 0 0 "[ . 1 . 2]" 1
747 1 29 GLU H 1 29 GLU HG3 . . 4.170 3.471 2.236 4.173 0.003 9 0 "[ . 1 . 2]" 1
748 1 29 GLU H 1 29 GLU HG2 . . 3.910 3.068 2.169 3.914 0.004 9 0 "[ . 1 . 2]" 1
749 1 29 GLU HA 1 29 GLU HG2 . . 4.050 2.793 2.097 3.631 . 0 0 "[ . 1 . 2]" 1
750 1 29 GLU HA 1 29 GLU HG3 . . 3.770 3.365 2.584 3.761 . 0 0 "[ . 1 . 2]" 1
751 1 38 ILE HB 1 39 MET H . . 3.800 2.461 2.338 2.571 . 0 0 "[ . 1 . 2]" 1
752 1 38 ILE HB 2 5 PHE QE . . 4.170 2.083 1.976 2.841 . 0 0 "[ . 1 . 2]" 1
753 1 38 ILE HB 2 5 PHE HZ . . 4.060 3.612 2.795 4.071 0.011 12 0 "[ . 1 . 2]" 1
754 1 38 ILE HB 1 38 ILE MD . . 3.610 2.322 2.138 2.467 . 0 0 "[ . 1 . 2]" 1
755 1 38 ILE HB 1 52 VAL QG . . 4.820 3.517 3.206 4.375 . 0 0 "[ . 1 . 2]" 1
756 1 77 TYR HB3 1 78 ASP HA . . 4.350 4.159 4.064 4.343 . 0 0 "[ . 1 . 2]" 1
757 1 23 GLU HA 1 23 GLU HG2 . . 3.620 2.698 2.265 3.574 . 0 0 "[ . 1 . 2]" 1
758 1 23 GLU HA 1 23 GLU HG3 . . 3.590 2.961 2.163 3.578 . 0 0 "[ . 1 . 2]" 1
759 1 12 LEU QD 1 23 GLU HG3 . . 3.930 3.400 2.395 4.326 0.396 9 0 "[ . 1 . 2]" 1
760 1 48 GLU HA 1 48 GLU HG3 . . 3.920 2.895 2.146 3.839 . 0 0 "[ . 1 . 2]" 1
761 1 58 LEU QD 1 61 GLU HG2 . . 4.690 3.709 2.377 4.689 . 0 0 "[ . 1 . 2]" 1
762 1 61 GLU H 1 61 GLU HG2 . . 3.920 2.690 1.929 3.971 0.051 7 0 "[ . 1 . 2]" 1
763 1 61 GLU HG3 1 62 LEU H . . 4.120 2.936 1.933 5.012 0.892 3 4 "[ -+ . 1* .* 2]" 1
764 1 61 GLU H 1 61 GLU HG3 . . 3.620 3.186 1.932 3.993 0.373 9 0 "[ . 1 . 2]" 1
765 1 61 GLU HA 1 61 GLU HG3 . . 3.880 3.677 3.487 3.830 . 0 0 "[ . 1 . 2]" 1
766 1 58 LEU QD 1 61 GLU HG3 . . 4.440 3.932 2.802 4.681 0.241 9 0 "[ . 1 . 2]" 1
767 1 48 GLU H 1 48 GLU HG3 . . 4.160 3.805 2.999 4.880 0.720 4 3 "[- +. 1 . * 2]" 1
768 1 5 VAL HB 1 6 ARG H . . 3.470 2.511 2.182 3.831 0.361 6 0 "[ . 1 . 2]" 1
769 1 24 MET QB 1 25 PHE H . . 3.710 2.953 2.649 3.165 . 0 0 "[ . 1 . 2]" 1
770 1 24 MET H 1 24 MET QB . . 3.540 3.077 2.800 3.368 . 0 0 "[ . 1 . 2]" 1
771 1 4 GLN H 1 4 GLN QG . . 3.810 2.465 1.940 3.483 . 0 0 "[ . 1 . 2]" 1
772 1 4 GLN QG 1 26 THR MG . . 4.430 2.766 2.004 3.799 . 0 0 "[ . 1 . 2]" 1
773 1 4 GLN HA 1 4 GLN QG . . 3.750 2.734 2.346 3.258 . 0 0 "[ . 1 . 2]" 1
774 1 46 GLN H 1 46 GLN QG . . 3.380 3.016 1.859 3.511 0.131 5 0 "[ . 1 . 2]" 1
775 1 47 GLN H 1 47 GLN QG . . 3.290 2.325 1.822 3.318 0.028 14 0 "[ . 1 . 2]" 1
776 1 46 GLN HB3 1 46 GLN QG . . 2.400 2.158 2.134 2.302 . 0 0 "[ . 1 . 2]" 1
777 1 42 GLN HA 1 42 GLN QG . . 3.070 2.199 2.034 3.187 0.117 9 0 "[ . 1 . 2]" 1
778 1 82 LYS H 1 82 LYS HB3 . . 3.720 2.504 2.443 2.584 . 0 0 "[ . 1 . 2]" 1
779 1 63 LEU HB3 1 65 ARG HB2 . . 4.440 3.375 2.871 3.738 . 0 0 "[ . 1 . 2]" 1
780 1 46 GLN HA 1 49 GLN QG . . 4.010 3.727 3.428 3.942 . 0 0 "[ . 1 . 2]" 1
781 1 49 GLN HA 1 49 GLN QG . . 3.740 2.319 2.183 2.685 . 0 0 "[ . 1 . 2]" 1
782 1 49 GLN QG 2 5 PHE H . . 4.580 2.845 1.980 3.518 . 0 0 "[ . 1 . 2]" 1
783 1 46 GLN HA 1 46 GLN QG . . 3.290 2.672 2.243 3.182 . 0 0 "[ . 1 . 2]" 1
784 1 21 GLN HA 1 21 GLN HG2 . . 3.830 3.493 3.360 3.568 . 0 0 "[ . 1 . 2]" 1
785 1 21 GLN HG2 1 22 GLY H . . 4.360 4.428 3.965 4.967 0.607 4 1 "[ +. 1 . 2]" 1
786 1 63 LEU QD 1 79 MET QG . . 4.290 3.068 1.756 3.672 . 0 0 "[ . 1 . 2]" 1
787 1 79 MET QG 1 83 ASN QD . . 4.580 2.946 1.892 4.144 . 0 0 "[ . 1 . 2]" 1
788 1 7 PRO HA 1 85 VAL HB . . 4.200 4.010 3.102 4.280 0.080 5 0 "[ . 1 . 2]" 1
789 1 6 ARG H 1 85 VAL HB . . 4.440 2.433 1.939 4.452 0.012 5 0 "[ . 1 . 2]" 1
790 1 21 GLN HG3 1 22 GLY H . . 5.500 3.092 2.710 3.475 . 0 0 "[ . 1 . 2]" 1
791 1 39 MET HA 1 39 MET QG . . 3.790 3.218 3.090 3.422 . 0 0 "[ . 1 . 2]" 1
792 1 39 MET QG 2 5 PHE QD . . 4.680 4.189 3.506 4.695 0.015 3 0 "[ . 1 . 2]" 1
793 1 36 GLN QG 1 37 TYR H . . 4.100 3.788 2.118 4.120 0.020 10 0 "[ . 1 . 2]" 1
794 1 8 LYS HB2 1 9 LEU H . . 3.690 3.066 2.162 3.746 0.056 14 0 "[ . 1 . 2]" 1
795 1 8 LYS HB2 1 10 PRO HD2 . . 4.010 2.658 2.022 3.726 . 0 0 "[ . 1 . 2]" 1
796 1 8 LYS HB3 1 11 LEU QD . . 4.740 4.159 2.962 5.089 0.349 20 0 "[ . 1 . 2]" 1
797 1 8 LYS HB3 1 11 LEU H . . 4.270 3.987 3.024 4.689 0.419 6 0 "[ . 1 . 2]" 1
798 1 6 ARG HB3 1 87 LEU QD . . 4.380 3.585 2.799 4.288 . 0 0 "[ . 1 . 2]" 1
799 1 28 LYS HA 1 31 MET HB3 . . 3.940 2.938 2.688 3.186 . 0 0 "[ . 1 . 2]" 1
800 1 39 MET H 1 39 MET HB3 . . 3.520 2.127 2.077 2.343 . 0 0 "[ . 1 . 2]" 1
801 1 39 MET H 1 39 MET HB2 . . 4.020 3.404 3.345 3.569 . 0 0 "[ . 1 . 2]" 1
802 1 85 VAL H 1 85 VAL HB . . 3.330 2.378 2.124 3.347 0.017 5 0 "[ . 1 . 2]" 1
803 1 39 MET QG 1 40 VAL H . . 3.620 2.349 2.120 2.557 . 0 0 "[ . 1 . 2]" 1
804 1 8 LYS HB3 1 9 LEU H . . 3.760 2.228 1.936 2.842 . 0 0 "[ . 1 . 2]" 1
805 1 31 MET HB3 1 31 MET ME . . 4.280 3.242 3.124 3.407 . 0 0 "[ . 1 . 2]" 1
806 1 31 MET H 1 31 MET HB3 . . 3.560 2.079 2.060 2.113 . 0 0 "[ . 1 . 2]" 1
807 1 27 VAL QG 1 31 MET HB3 . . 3.870 3.507 2.978 3.838 . 0 0 "[ . 1 . 2]" 1
808 1 39 MET HB3 2 5 PHE QD . . 4.300 2.478 1.999 2.990 . 0 0 "[ . 1 . 2]" 1
809 1 39 MET HB3 2 5 PHE QE . . 3.960 3.554 2.843 3.976 0.016 8 0 "[ . 1 . 2]" 1
810 1 31 MET H 1 31 MET HB2 . . 3.610 3.277 3.112 3.411 . 0 0 "[ . 1 . 2]" 1
811 1 27 VAL QG 1 31 MET HB2 . . 4.290 4.161 3.620 4.282 . 0 0 "[ . 1 . 2]" 1
812 1 39 MET HB2 2 5 PHE QD . . 4.160 3.144 2.454 3.845 . 0 0 "[ . 1 . 2]" 1
813 1 39 MET HB2 1 44 TYR QE . . 4.550 3.482 3.128 3.639 . 0 0 "[ . 1 . 2]" 1
814 1 71 LYS QB 1 72 ASP QB . . 4.870 3.946 3.576 4.525 . 0 0 "[ . 1 . 2]" 1
815 1 50 HIS QB 1 71 LYS QB . . 4.000 2.047 1.944 2.348 . 0 0 "[ . 1 . 2]" 1
816 1 13 LYS H 1 13 LYS HB2 . . 3.500 3.328 2.075 3.573 0.073 12 0 "[ . 1 . 2]" 1
817 1 13 LYS H 1 13 LYS HB3 . . 3.300 2.710 2.160 3.583 0.283 6 0 "[ . 1 . 2]" 1
818 1 52 VAL HB 1 68 PHE HZ . . 4.580 3.791 3.198 4.582 0.002 18 0 "[ . 1 . 2]" 1
819 1 52 VAL HB 1 68 PHE QE . . 4.160 2.857 2.272 3.408 . 0 0 "[ . 1 . 2]" 1
820 1 50 HIS QB 1 70 VAL QG . . 3.860 2.533 2.109 3.028 . 0 0 "[ . 1 . 2]" 1
821 1 50 HIS QB 2 8 LEU QD . . 3.170 1.988 1.715 3.244 0.074 15 0 "[ . 1 . 2]" 1
822 1 24 MET HA 1 24 MET QG . . 3.800 3.196 2.771 3.492 . 0 0 "[ . 1 . 2]" 1
823 1 23 GLU H 1 24 MET QG . . 3.970 3.315 2.683 3.898 . 0 0 "[ . 1 . 2]" 1
824 1 29 GLU HB3 1 30 VAL MG2 . . 4.350 3.734 3.303 4.151 . 0 0 "[ . 1 . 2]" 1
825 1 50 HIS HA 1 70 VAL HB . . 4.530 4.108 3.931 4.412 . 0 0 "[ . 1 . 2]" 1
826 1 37 TYR H 1 40 VAL HB . . 4.690 4.652 4.490 4.782 0.092 13 0 "[ . 1 . 2]" 1
827 1 21 GLN H 1 21 GLN HB3 . . 3.760 3.532 3.435 3.685 . 0 0 "[ . 1 . 2]" 1
828 1 20 ALA HA 1 21 GLN HB3 . . 5.050 4.971 4.852 5.097 0.047 19 0 "[ . 1 . 2]" 1
829 1 13 LYS HB2 1 14 ILE H . . 4.440 3.743 2.885 4.127 . 0 0 "[ . 1 . 2]" 1
830 1 7 PRO QB 1 12 LEU QD . . 4.270 2.828 2.027 3.378 . 0 0 "[ . 1 . 2]" 1
831 1 71 LYS QB 1 72 ASP H . . 4.490 3.294 2.987 3.821 . 0 0 "[ . 1 . 2]" 1
832 1 63 LEU QD 1 75 PRO HB3 . . 4.140 3.179 2.677 3.424 . 0 0 "[ . 1 . 2]" 1
833 1 50 HIS QB 1 70 VAL H . . 4.430 3.746 3.123 4.090 . 0 0 "[ . 1 . 2]" 1
834 1 29 GLU HB2 1 30 VAL H . . 4.390 2.643 2.245 2.907 . 0 0 "[ . 1 . 2]" 1
835 1 30 VAL HB 1 31 MET H . . 3.510 2.527 2.199 2.788 . 0 0 "[ . 1 . 2]" 1
836 1 30 VAL H 1 30 VAL HB . . 3.270 2.563 2.404 2.736 . 0 0 "[ . 1 . 2]" 1
837 1 63 LEU QD 1 75 PRO HB2 . . 4.080 2.036 1.757 2.466 . 0 0 "[ . 1 . 2]" 1
838 1 10 PRO HB2 1 11 LEU QD . . 4.300 3.094 2.766 3.724 . 0 0 "[ . 1 . 2]" 1
839 1 25 PHE HB3 1 29 GLU HB3 . . 3.600 2.238 1.991 2.727 . 0 0 "[ . 1 . 2]" 1
840 1 25 PHE QD 1 29 GLU HB3 . . 3.480 2.549 2.205 2.891 . 0 0 "[ . 1 . 2]" 1
841 1 26 THR H 1 29 GLU HB3 . . 3.630 3.375 2.874 3.641 0.011 9 0 "[ . 1 . 2]" 1
842 1 70 VAL H 1 70 VAL HB . . 3.810 3.549 3.507 3.604 . 0 0 "[ . 1 . 2]" 1
843 1 18 ALA HA 1 40 VAL HB . . 3.860 3.671 3.406 3.910 0.050 15 0 "[ . 1 . 2]" 1
844 1 40 VAL HB 1 41 LYS H . . 3.670 3.378 3.320 3.509 . 0 0 "[ . 1 . 2]" 1
845 1 27 VAL H 1 27 VAL HB . . 3.050 2.814 2.292 3.039 . 0 0 "[ . 1 . 2]" 1
846 1 21 GLN H 1 21 GLN HB2 . . 4.030 3.211 3.139 3.274 . 0 0 "[ . 1 . 2]" 1
847 1 45 ASP QB 1 51 MET QB . . 4.230 2.480 1.963 2.917 . 0 0 "[ . 1 . 2]" 1
848 1 21 GLN HB3 1 22 GLY H . . 4.160 3.888 3.674 4.134 . 0 0 "[ . 1 . 2]" 1
849 1 32 HIS H 1 32 HIS HB3 . . 3.550 2.880 2.778 2.952 . 0 0 "[ . 1 . 2]" 1
850 1 32 HIS HB3 1 33 TYR H . . 3.820 2.865 2.737 2.966 . 0 0 "[ . 1 . 2]" 1
851 1 29 GLU H 1 29 GLU HB3 . . 3.780 3.532 3.313 3.608 . 0 0 "[ . 1 . 2]" 1
852 1 79 MET HB2 1 80 LEU H . . 4.090 3.936 3.829 4.141 0.051 11 0 "[ . 1 . 2]" 1
853 1 63 LEU QD 1 79 MET HB2 . . 4.090 2.247 1.907 2.987 . 0 0 "[ . 1 . 2]" 1
854 1 27 VAL HB 1 28 LYS H . . 3.610 2.941 2.361 3.951 0.341 8 0 "[ . 1 . 2]" 1
855 1 26 THR MG 1 27 VAL HB . . 5.500 4.747 4.392 5.469 . 0 0 "[ . 1 . 2]" 1
856 1 81 ARG HB2 1 81 ARG QD . . 3.870 2.490 2.053 2.865 . 0 0 "[ . 1 . 2]" 1
857 1 10 PRO HB3 1 11 LEU H . . 4.380 4.407 4.241 4.471 0.091 11 0 "[ . 1 . 2]" 1
858 1 41 LYS H 1 41 LYS HB3 . . 3.780 3.500 3.381 3.590 . 0 0 "[ . 1 . 2]" 1
859 1 38 ILE H 1 38 ILE HG13 . . 4.350 1.993 1.922 2.247 . 0 0 "[ . 1 . 2]" 1
860 1 38 ILE HA 1 38 ILE HG13 . . 3.870 2.953 2.761 3.073 . 0 0 "[ . 1 . 2]" 1
861 1 32 HIS HB2 1 33 TYR H . . 3.730 3.743 3.711 3.763 0.033 20 0 "[ . 1 . 2]" 1
862 1 32 HIS H 1 32 HIS HB2 . . 3.380 2.237 2.187 2.348 . 0 0 "[ . 1 . 2]" 1
863 1 29 GLU HA 1 32 HIS HB2 . . 3.780 3.137 2.907 3.402 . 0 0 "[ . 1 . 2]" 1
864 1 31 MET QG 2 9 TRP HE1 . . 4.300 3.571 2.122 4.298 . 0 0 "[ . 1 . 2]" 1
865 1 31 MET QG 1 32 HIS HA . . 3.310 2.965 2.876 3.162 . 0 0 "[ . 1 . 2]" 1
866 1 47 GLN H 1 47 GLN HB2 . . 3.100 2.822 2.356 3.549 0.449 4 0 "[ . 1 . 2]" 1
867 1 47 GLN H 1 47 GLN HB3 . . 3.620 3.549 2.826 3.655 0.035 8 0 "[ . 1 . 2]" 1
868 1 81 ARG H 1 81 ARG HB2 . . 3.430 2.812 2.161 3.512 0.082 7 0 "[ . 1 . 2]" 1
869 1 81 ARG HB2 1 82 LYS H . . 3.820 3.498 2.413 3.960 0.140 19 0 "[ . 1 . 2]" 1
870 1 81 ARG HB3 1 82 LYS H . . 3.920 2.901 2.256 3.526 . 0 0 "[ . 1 . 2]" 1
871 1 37 TYR QD 1 38 ILE HG12 . . 4.220 3.585 3.205 4.223 0.003 18 0 "[ . 1 . 2]" 1
872 1 54 CYS HB2 1 60 GLY H . . 3.720 2.931 2.199 3.749 0.029 12 0 "[ . 1 . 2]" 1
873 1 54 CYS HB2 1 59 LEU HG . . 4.360 2.341 1.983 3.517 . 0 0 "[ . 1 . 2]" 1
874 1 54 CYS H 1 54 CYS HB2 . . 4.060 3.496 2.883 3.678 . 0 0 "[ . 1 . 2]" 1
875 1 54 CYS HB2 1 60 GLY QA . . 3.630 2.012 1.811 3.496 . 0 0 "[ . 1 . 2]" 1
876 1 55 GLY H 1 66 GLN HB2 . . 4.540 4.876 3.812 5.381 0.841 20 9 "[ ** * * 1**- * +]" 1
877 1 46 GLN HB3 1 47 GLN H . . 4.290 3.799 3.500 4.206 . 0 0 "[ . 1 . 2]" 1
878 1 78 ASP HA 1 81 ARG HB3 . . 5.500 3.597 2.731 4.826 . 0 0 "[ . 1 . 2]" 1
879 1 8 LYS H 1 8 LYS QD . . 4.200 3.890 2.815 4.176 . 0 0 "[ . 1 . 2]" 1
880 1 8 LYS HB2 1 8 LYS QD . . 3.090 2.726 2.016 3.391 0.301 17 0 "[ . 1 . 2]" 1
881 1 82 LYS QD 1 83 ASN HA . . 3.250 3.247 3.089 3.356 0.106 19 0 "[ . 1 . 2]" 1
882 1 28 LYS HA 1 28 LYS HD2 . . 4.180 4.330 3.703 4.596 0.416 18 0 "[ . 1 . 2]" 1
883 1 28 LYS H 1 28 LYS HD2 . . 4.520 3.468 1.941 5.390 0.870 9 1 "[ . +1 . 2]" 1
884 1 2 ILE MG 1 28 LYS HD2 . . 4.400 3.299 1.841 4.477 0.077 9 0 "[ . 1 . 2]" 1
885 1 28 LYS HA 1 28 LYS HD3 . . 4.570 3.898 2.868 4.589 0.019 13 0 "[ . 1 . 2]" 1
886 1 2 ILE MG 1 28 LYS HD3 . . 4.460 3.349 1.892 4.498 0.038 17 0 "[ . 1 . 2]" 1
887 1 36 GLN H 1 36 GLN QB . . 3.880 2.365 2.073 2.505 . 0 0 "[ . 1 . 2]" 1
888 1 46 GLN H 1 46 GLN HB3 . . 3.510 3.538 3.481 3.596 0.086 9 0 "[ . 1 . 2]" 1
889 1 46 GLN HB3 1 47 GLN HE21 . . 4.240 3.674 2.807 5.119 0.879 4 3 "[ +. *1 -. 2]" 1
890 1 46 GLN HB2 1 46 GLN QE . . 4.030 2.922 2.388 3.599 . 0 0 "[ . 1 . 2]" 1
891 1 10 PRO QG 1 11 LEU QD . . 4.470 2.859 2.417 3.524 . 0 0 "[ . 1 . 2]" 1
892 1 10 PRO QG 1 11 LEU H . . 4.350 2.995 2.568 3.170 . 0 0 "[ . 1 . 2]" 1
893 1 13 LYS QD 1 14 ILE MD . . 4.810 3.820 2.040 4.828 0.018 20 0 "[ . 1 . 2]" 1
894 1 13 LYS HA 1 13 LYS QD . . 4.140 3.952 3.543 4.242 0.102 20 0 "[ . 1 . 2]" 1
895 1 13 LYS QD 1 58 LEU QD . . 4.320 3.828 2.950 4.339 0.019 14 0 "[ . 1 . 2]" 1
896 1 14 ILE HG12 1 15 LEU H . . 4.540 4.314 3.926 4.618 0.078 5 0 "[ . 1 . 2]" 1
897 1 71 LYS HA 1 71 LYS HD3 . . 4.440 4.016 2.000 4.685 0.245 15 0 "[ . 1 . 2]" 1
898 1 68 PHE HB2 1 75 PRO HG2 . . 4.400 2.048 1.978 2.562 . 0 0 "[ . 1 . 2]" 1
899 1 69 SER H 1 75 PRO HG2 . . 4.080 3.989 3.359 4.324 0.244 10 0 "[ . 1 . 2]" 1
900 1 46 GLN HB2 1 47 GLN H . . 3.920 3.079 2.657 3.469 . 0 0 "[ . 1 . 2]" 1
901 1 75 PRO HG3 1 76 LEU H . . 4.190 4.006 3.942 4.168 . 0 0 "[ . 1 . 2]" 1
902 1 68 PHE HA 1 75 PRO HG3 . . 4.580 3.279 2.952 3.557 . 0 0 "[ . 1 . 2]" 1
903 1 68 PHE HB2 1 75 PRO HG3 . . 4.440 2.391 1.998 3.050 . 0 0 "[ . 1 . 2]" 1
904 1 7 PRO HG3 1 25 PHE QD . . 3.780 2.315 1.997 2.956 . 0 0 "[ . 1 . 2]" 1
905 1 81 ARG HA 1 81 ARG HG2 . . 3.600 3.117 2.305 3.807 0.207 7 0 "[ . 1 . 2]" 1
906 1 81 ARG H 1 81 ARG HG3 . . 4.000 3.886 2.460 4.345 0.345 9 0 "[ . 1 . 2]" 1
907 1 81 ARG HA 1 81 ARG HG3 . . 3.730 3.113 2.495 3.612 . 0 0 "[ . 1 . 2]" 1
908 1 41 LYS HA 1 41 LYS HD2 . . 3.770 3.212 2.004 3.759 . 0 0 "[ . 1 . 2]" 1
909 1 68 PHE HB3 1 75 PRO HG3 . . 4.500 2.784 2.072 3.290 . 0 0 "[ . 1 . 2]" 1
910 1 78 ASP HA 1 81 ARG HG3 . . 4.600 4.582 3.153 5.557 0.957 5 7 "[ + * *1- **. * 2]" 1
911 1 6 ARG HG3 1 24 MET HA . . 4.610 3.830 3.334 4.417 . 0 0 "[ . 1 . 2]" 1
912 1 11 LEU H 1 11 LEU QD . . 3.600 3.045 2.818 3.454 . 0 0 "[ . 1 . 2]" 1
913 1 49 GLN HB3 2 5 PHE H . . 4.120 3.789 3.007 4.145 0.025 17 0 "[ . 1 . 2]" 1
914 1 34 LEU H 1 34 LEU HG . . 4.400 4.151 3.139 4.263 . 0 0 "[ . 1 . 2]" 1
915 1 59 LEU H 1 59 LEU HG . . 4.160 3.451 2.252 4.093 . 0 0 "[ . 1 . 2]" 1
916 1 54 CYS HA 1 59 LEU HG . . 4.270 3.220 2.288 4.265 . 0 0 "[ . 1 . 2]" 1
917 1 9 LEU H 1 9 LEU HG . . 4.630 2.749 1.835 4.086 . 0 0 "[ . 1 . 2]" 1
918 1 87 LEU H 1 87 LEU HG . . 4.040 2.605 1.950 3.399 . 0 0 "[ . 1 . 2]" 1
919 1 63 LEU H 1 63 LEU HG . . 3.760 3.686 3.417 3.787 0.027 11 0 "[ . 1 . 2]" 1
920 1 58 LEU H 1 58 LEU HG . . 4.340 3.671 2.433 4.336 . 0 0 "[ . 1 . 2]" 1
921 1 62 LEU HA 1 62 LEU HG . . 3.990 3.522 2.723 3.692 . 0 0 "[ . 1 . 2]" 1
922 1 6 ARG HA 1 6 ARG HG3 . . 4.230 2.491 2.079 2.919 . 0 0 "[ . 1 . 2]" 1
923 1 65 ARG H 1 65 ARG HG3 . . 4.290 3.776 3.460 3.982 . 0 0 "[ . 1 . 2]" 1
924 1 1 GLN H1 1 2 ILE HG12 . . 3.680 3.334 2.486 3.706 0.026 20 0 "[ . 1 . 2]" 1
925 1 65 ARG HA 1 65 ARG HG3 . . 3.750 3.755 2.509 3.932 0.182 14 0 "[ . 1 . 2]" 1
926 1 2 ILE H 1 2 ILE HG13 . . 4.520 3.895 2.097 4.423 . 0 0 "[ . 1 . 2]" 1
927 1 11 LEU HB3 1 11 LEU QD . . 3.020 2.227 1.925 2.523 . 0 0 "[ . 1 . 2]" 1
928 1 63 LEU QD 1 68 PHE QD . . 3.520 2.262 1.946 2.715 . 0 0 "[ . 1 . 2]" 1
929 1 63 LEU QD 1 75 PRO HA . . 4.150 3.348 2.892 3.617 . 0 0 "[ . 1 . 2]" 1
930 1 49 GLN HB3 1 50 HIS HA . . 4.440 4.491 4.226 4.892 0.452 8 0 "[ . 1 . 2]" 1
931 1 49 GLN HB3 2 5 PHE HB2 . . 4.300 3.825 2.285 4.336 0.036 9 0 "[ . 1 . 2]" 1
932 1 15 LEU H 1 15 LEU HG . . 3.680 2.945 1.972 3.837 0.157 18 0 "[ . 1 . 2]" 1
933 1 9 LEU HG 1 10 PRO HD2 . . 4.130 3.215 1.963 4.787 0.657 9 1 "[ . +1 . 2]" 1
934 1 71 LYS HA 1 71 LYS HG2 . . 3.820 3.128 2.518 3.894 0.074 10 0 "[ . 1 . 2]" 1
935 1 71 LYS H 1 71 LYS HG3 . . 4.690 3.931 2.544 4.587 . 0 0 "[ . 1 . 2]" 1
936 1 76 LEU HG 1 77 TYR H . . 4.130 3.689 3.443 3.894 . 0 0 "[ . 1 . 2]" 1
937 1 76 LEU HG 1 77 TYR HA . . 3.990 3.838 3.530 4.013 0.023 18 0 "[ . 1 . 2]" 1
938 1 50 HIS QB 1 71 LYS HG3 . . 4.320 3.996 3.342 4.740 0.420 13 0 "[ . 1 . 2]" 1
939 1 37 TYR QE 1 59 LEU QD . . 4.050 2.715 1.820 3.232 . 0 0 "[ . 1 . 2]" 1
940 1 12 LEU HA 1 15 LEU QD . . 3.830 3.039 2.256 3.723 . 0 0 "[ . 1 . 2]" 1
941 1 42 GLN QB 1 42 GLN QE . . 4.010 2.234 1.915 3.487 . 0 0 "[ . 1 . 2]" 1
942 1 82 LYS HA 1 82 LYS HG3 . . 4.120 4.183 4.163 4.215 0.095 20 0 "[ . 1 . 2]" 1
943 1 15 LEU H 1 15 LEU QD . . 3.570 2.221 1.787 2.817 . 0 0 "[ . 1 . 2]" 1
944 1 15 LEU QD 1 30 VAL MG1 . . 3.410 2.235 1.699 2.637 . 0 0 "[ . 1 . 2]" 1
945 1 82 LYS HA 1 82 LYS HG2 . . 3.680 3.479 3.433 3.560 . 0 0 "[ . 1 . 2]" 1
946 1 13 LYS H 1 13 LYS HG3 . . 3.990 2.569 1.943 4.008 0.018 11 0 "[ . 1 . 2]" 1
947 1 13 LYS HA 1 13 LYS HG3 . . 3.830 3.428 2.691 3.861 0.031 11 0 "[ . 1 . 2]" 1
948 1 12 LEU QD 1 23 GLU HA . . 3.160 2.840 2.561 3.010 . 0 0 "[ . 1 . 2]" 1
949 1 9 LEU HA 1 12 LEU QD . . 3.900 3.741 3.469 3.849 . 0 0 "[ . 1 . 2]" 1
950 1 12 LEU HB2 1 12 LEU QD . . 3.270 2.262 2.000 2.528 . 0 0 "[ . 1 . 2]" 1
951 1 87 LEU HA 1 87 LEU QD . . 4.100 2.911 1.908 3.402 . 0 0 "[ . 1 . 2]" 1
952 1 14 ILE MG 1 34 LEU QD . . 3.650 2.997 2.451 3.446 . 0 0 "[ . 1 . 2]" 1
953 1 34 LEU H 1 34 LEU QD . . 4.220 2.565 2.328 2.723 . 0 0 "[ . 1 . 2]" 1
954 1 80 LEU HA 1 80 LEU QD . . 2.980 2.226 1.957 2.772 . 0 0 "[ . 1 . 2]" 1
955 1 76 LEU QD 2 9 TRP HH2 . . 3.510 2.393 2.243 2.679 . 0 0 "[ . 1 . 2]" 1
956 1 76 LEU HA 1 76 LEU QD . . 3.270 2.527 2.302 2.730 . 0 0 "[ . 1 . 2]" 1
957 1 28 LYS HG3 1 29 GLU H . . 5.500 4.343 3.159 5.062 . 0 0 "[ . 1 . 2]" 1
958 1 34 LEU QD 2 9 TRP HH2 . . 3.610 3.426 3.220 3.522 . 0 0 "[ . 1 . 2]" 1
959 1 62 LEU QD 1 83 ASN HA . . 4.070 3.252 2.803 4.076 0.006 9 0 "[ . 1 . 2]" 1
960 1 63 LEU QD 1 76 LEU HA . . 3.150 2.710 2.101 3.003 . 0 0 "[ . 1 . 2]" 1
961 1 63 LEU QD 1 79 MET HB3 . . 3.460 2.532 1.962 2.900 . 0 0 "[ . 1 . 2]" 1
962 1 63 LEU H 1 63 LEU QD . . 4.050 3.174 2.293 3.586 . 0 0 "[ . 1 . 2]" 1
963 1 12 LEU QD 1 13 LYS H . . 4.370 3.788 3.584 3.973 . 0 0 "[ . 1 . 2]" 1
964 1 9 LEU HA 1 9 LEU QD . . 3.090 2.350 1.880 2.833 . 0 0 "[ . 1 . 2]" 1
965 1 12 LEU QD 1 25 PHE QE . . 3.300 2.753 2.344 3.118 . 0 0 "[ . 1 . 2]" 1
966 1 12 LEU HA 1 12 LEU QD . . 2.960 1.908 1.865 2.100 . 0 0 "[ . 1 . 2]" 1
967 1 58 LEU HA 1 58 LEU QD . . 3.050 2.021 1.864 2.661 . 0 0 "[ . 1 . 2]" 1
968 1 13 LYS QE 1 58 LEU QD . . 3.940 3.410 2.264 3.945 0.005 2 0 "[ . 1 . 2]" 1
969 1 76 LEU HB2 1 76 LEU QD . . 2.400 1.982 1.937 2.057 . 0 0 "[ . 1 . 2]" 1
970 1 76 LEU QD 2 9 TRP HZ2 . . 3.880 3.626 3.399 3.747 . 0 0 "[ . 1 . 2]" 1
971 1 26 THR HA 1 27 VAL QG . . 4.570 3.706 3.498 4.302 . 0 0 "[ . 1 . 2]" 1
972 1 3 ASN HB3 1 27 VAL QG . . 3.700 3.404 2.279 4.413 0.713 18 3 "[ . 1 - *. + 2]" 1
973 1 27 VAL H 1 27 VAL QG . . 2.970 1.903 1.752 2.518 . 0 0 "[ . 1 . 2]" 1
974 1 3 ASN HD21 1 27 VAL QG . . 4.550 4.470 4.140 4.661 0.111 14 0 "[ . 1 . 2]" 1
975 1 27 VAL QG 1 28 LYS H . . 4.150 2.760 1.756 3.276 . 0 0 "[ . 1 . 2]" 1
976 1 12 LEU QD 1 13 LYS HA . . 4.390 4.022 3.724 4.235 . 0 0 "[ . 1 . 2]" 1
977 1 12 LEU QD 1 15 LEU QD . . 3.970 3.098 2.694 3.690 . 0 0 "[ . 1 . 2]" 1
978 1 84 LEU QD 1 85 VAL H . . 3.770 2.858 1.783 3.681 . 0 0 "[ . 1 . 2]" 1
979 1 84 LEU HA 1 84 LEU QD . . 3.450 2.057 1.834 3.287 . 0 0 "[ . 1 . 2]" 1
980 1 70 VAL QG 2 5 PHE QE . . 3.660 1.849 1.735 2.173 . 0 0 "[ . 1 . 2]" 1
981 1 69 SER HA 1 70 VAL QG . . 4.600 3.204 3.155 3.286 . 0 0 "[ . 1 . 2]" 1
982 1 70 VAL H 1 70 VAL QG . . 3.280 1.826 1.774 1.925 . 0 0 "[ . 1 . 2]" 1
983 1 70 VAL QG 2 9 TRP HE3 . . 3.680 2.541 2.148 2.751 . 0 0 "[ . 1 . 2]" 1
984 1 50 HIS HA 1 70 VAL QG . . 3.310 1.711 1.658 1.853 . 0 0 "[ . 1 . 2]" 1
985 1 70 VAL QG 2 12 LEU QD . . 3.500 2.854 2.184 3.349 . 0 0 "[ . 1 . 2]" 1
986 1 70 VAL QG 2 9 TRP HZ3 . . 3.810 2.923 2.439 3.127 . 0 0 "[ . 1 . 2]" 1
987 1 25 PHE HB3 1 30 VAL MG2 . . 3.470 2.776 2.362 3.061 . 0 0 "[ . 1 . 2]" 1
988 1 86 THR HA 1 87 LEU QD . . 3.170 2.844 2.244 3.200 0.030 19 0 "[ . 1 . 2]" 1
989 1 6 ARG HB2 1 87 LEU QD . . 3.650 2.430 1.961 3.462 . 0 0 "[ . 1 . 2]" 1
990 1 54 CYS HB2 1 59 LEU QD . . 4.350 2.323 1.858 3.605 . 0 0 "[ . 1 . 2]" 1
991 1 59 LEU H 1 59 LEU QD . . 3.930 2.033 1.789 2.692 . 0 0 "[ . 1 . 2]" 1
992 1 80 LEU QD 1 83 ASN QD . . 4.430 2.429 1.713 3.624 . 0 0 "[ . 1 . 2]" 1
993 1 4 GLN H 1 26 THR MG . . 4.300 3.572 2.911 4.228 . 0 0 "[ . 1 . 2]" 1
994 1 26 THR MG 1 28 LYS H . . 4.590 4.045 3.748 4.400 . 0 0 "[ . 1 . 2]" 1
995 1 4 GLN HE21 1 26 THR MG . . 4.240 3.362 2.800 4.038 . 0 0 "[ . 1 . 2]" 1
996 1 26 THR HA 1 26 THR MG . . 3.160 2.077 1.957 2.240 . 0 0 "[ . 1 . 2]" 1
997 1 26 THR MG 1 28 LYS QE . . 4.550 3.386 2.039 4.426 . 0 0 "[ . 1 . 2]" 1
998 1 30 VAL H 1 30 VAL MG2 . . 2.970 2.128 1.907 2.418 . 0 0 "[ . 1 . 2]" 1
999 1 25 PHE HB2 1 30 VAL MG2 . . 3.290 2.330 2.039 2.714 . 0 0 "[ . 1 . 2]" 1
1000 1 15 LEU QD 1 30 VAL MG2 . . 3.750 2.852 2.369 3.413 . 0 0 "[ . 1 . 2]" 1
1001 1 5 VAL HA 1 5 VAL QG . . 3.220 2.320 1.951 2.585 . 0 0 "[ . 1 . 2]" 1
1002 1 5 VAL QG 1 6 ARG H . . 3.690 2.732 1.876 3.331 . 0 0 "[ . 1 . 2]" 1
1003 1 5 VAL QG 1 25 PHE HA . . 4.300 3.992 3.537 4.257 . 0 0 "[ . 1 . 2]" 1
1004 1 54 CYS HB3 1 59 LEU QD . . 4.260 2.401 1.840 3.530 . 0 0 "[ . 1 . 2]" 1
1005 1 11 LEU QD 1 14 ILE MD . . 3.560 2.878 1.934 3.586 0.026 9 0 "[ . 1 . 2]" 1
1006 1 15 LEU QD 1 33 TYR QD . . 4.530 2.362 1.773 3.054 . 0 0 "[ . 1 . 2]" 1
1007 1 15 LEU QD 1 33 TYR HB3 . . 3.420 2.330 1.977 2.850 . 0 0 "[ . 1 . 2]" 1
1008 1 15 LEU QD 1 33 TYR HB2 . . 3.350 2.100 1.850 2.454 . 0 0 "[ . 1 . 2]" 1
1009 1 15 LEU QD 1 34 LEU QD . . 3.160 2.895 2.622 3.091 . 0 0 "[ . 1 . 2]" 1
1010 1 14 ILE MG 1 15 LEU QD . . 4.280 2.421 2.111 2.805 . 0 0 "[ . 1 . 2]" 1
1011 1 38 ILE MG 1 52 VAL QG . . 3.540 1.926 1.711 2.666 . 0 0 "[ . 1 . 2]" 1
1012 1 52 VAL QG 1 53 TYR HA . . 3.600 3.457 3.083 3.603 0.003 8 0 "[ . 1 . 2]" 1
1013 1 26 THR MG 1 27 VAL H . . 3.170 2.670 2.297 3.171 0.001 4 0 "[ . 1 . 2]" 1
1014 1 85 VAL QG 1 86 THR MG . . 4.150 3.954 3.768 4.175 0.025 8 0 "[ . 1 . 2]" 1
1015 1 86 THR MG 1 87 LEU H . . 3.890 3.793 3.552 3.907 0.017 8 0 "[ . 1 . 2]" 1
1016 1 86 THR HA 1 86 THR MG . . 3.300 2.333 2.202 2.565 . 0 0 "[ . 1 . 2]" 1
1017 1 5 VAL QG 1 86 THR MG . . 3.770 2.466 1.764 3.401 . 0 0 "[ . 1 . 2]" 1
1018 1 85 VAL H 1 86 THR MG . . 4.660 4.474 3.625 4.683 0.023 7 0 "[ . 1 . 2]" 1
1019 1 40 VAL H 1 40 VAL MG1 . . 2.980 2.986 2.925 3.011 0.031 7 0 "[ . 1 . 2]" 1
1020 1 40 VAL MG1 1 41 LYS H . . 3.610 2.083 2.049 2.257 . 0 0 "[ . 1 . 2]" 1
1021 1 18 ALA HA 1 40 VAL MG1 . . 4.050 3.748 3.002 4.059 0.009 20 0 "[ . 1 . 2]" 1
1022 1 40 VAL MG1 1 41 LYS QE . . 4.250 2.646 1.935 4.172 . 0 0 "[ . 1 . 2]" 1
1023 1 40 VAL MG1 1 41 LYS HB2 . . 3.170 3.110 2.956 3.185 0.015 13 0 "[ . 1 . 2]" 1
1024 1 3 ASN H 1 27 VAL QG . . 3.750 1.804 1.717 2.042 . 0 0 "[ . 1 . 2]" 1
1025 1 26 THR H 1 30 VAL MG2 . . 4.580 3.819 3.426 4.229 . 0 0 "[ . 1 . 2]" 1
1026 1 30 VAL MG1 1 31 MET H . . 4.470 3.437 3.078 3.789 . 0 0 "[ . 1 . 2]" 1
1027 1 30 VAL HA 1 30 VAL MG1 . . 2.930 2.348 2.205 2.453 . 0 0 "[ . 1 . 2]" 1
1028 1 52 VAL QG 1 68 PHE HZ . . 4.530 2.179 2.020 2.472 . 0 0 "[ . 1 . 2]" 1
1029 1 52 VAL QG 1 53 TYR H . . 3.330 2.261 1.823 2.579 . 0 0 "[ . 1 . 2]" 1
1030 1 52 VAL QG 1 68 PHE QE . . 3.600 2.021 1.815 2.446 . 0 0 "[ . 1 . 2]" 1
1031 1 52 VAL QG 1 54 CYS HB3 . . 3.900 3.210 2.385 3.966 0.066 19 0 "[ . 1 . 2]" 1
1032 1 43 LEU QB 1 52 VAL QG . . 3.550 3.102 2.582 3.448 . 0 0 "[ . 1 . 2]" 1
1033 1 38 ILE MD 1 52 VAL QG . . 3.590 1.771 1.614 2.266 . 0 0 "[ . 1 . 2]" 1
1034 1 43 LEU H 1 43 LEU QD . . 3.760 3.224 2.392 3.792 0.032 2 0 "[ . 1 . 2]" 1
1035 1 43 LEU QD 1 54 CYS HA . . 3.710 2.721 1.772 3.712 0.002 20 0 "[ . 1 . 2]" 1
1036 1 43 LEU HA 1 43 LEU QD . . 2.850 2.306 1.852 2.901 0.051 12 0 "[ . 1 . 2]" 1
1037 1 18 ALA MB 1 20 ALA MB . . 4.590 3.479 3.293 3.621 . 0 0 "[ . 1 . 2]" 1
1038 1 18 ALA MB 1 37 TYR H . . 3.410 2.299 1.956 3.014 . 0 0 "[ . 1 . 2]" 1
1039 1 18 ALA H 1 18 ALA MB . . 2.840 2.135 2.036 2.243 . 0 0 "[ . 1 . 2]" 1
1040 1 18 ALA MB 1 33 TYR QD . . 3.700 2.477 2.148 2.826 . 0 0 "[ . 1 . 2]" 1
1041 1 18 ALA MB 1 37 TYR QD . . 4.000 3.351 2.654 3.607 . 0 0 "[ . 1 . 2]" 1
1042 1 18 ALA MB 1 37 TYR HA . . 3.670 2.710 2.368 2.901 . 0 0 "[ . 1 . 2]" 1
1043 1 18 ALA MB 1 37 TYR HB3 . . 3.780 3.527 3.079 3.782 0.002 8 0 "[ . 1 . 2]" 1
1044 1 18 ALA MB 1 37 TYR HB2 . . 3.060 2.316 1.957 2.518 . 0 0 "[ . 1 . 2]" 1
1045 1 15 LEU QD 1 18 ALA MB . . 4.120 3.570 3.201 3.858 . 0 0 "[ . 1 . 2]" 1
1046 1 6 ARG QD 1 85 VAL QG . . 3.630 3.253 2.587 3.603 . 0 0 "[ . 1 . 2]" 1
1047 1 6 ARG H 1 85 VAL QG . . 4.160 2.030 1.742 2.760 . 0 0 "[ . 1 . 2]" 1
1048 1 40 VAL HA 1 40 VAL MG2 . . 3.000 2.143 2.128 2.149 . 0 0 "[ . 1 . 2]" 1
1049 1 40 VAL H 1 40 VAL MG2 . . 3.460 3.489 3.462 3.529 0.069 13 0 "[ . 1 . 2]" 1
1050 1 40 VAL MG2 1 41 LYS H . . 4.130 4.155 4.142 4.213 0.083 13 0 "[ . 1 . 2]" 1
1051 1 5 VAL QG 1 27 VAL H . . 4.760 3.464 2.785 4.471 . 0 0 "[ . 1 . 2]" 1
1052 1 38 ILE MG 1 39 MET HA . . 4.840 3.432 3.112 3.650 . 0 0 "[ . 1 . 2]" 1
1053 1 20 ALA H 1 20 ALA MB . . 3.000 2.248 2.143 2.413 . 0 0 "[ . 1 . 2]" 1
1054 1 20 ALA MB 1 25 PHE QE . . 3.260 3.069 2.709 3.267 0.007 3 0 "[ . 1 . 2]" 1
1055 1 20 ALA MB 1 25 PHE HZ . . 3.580 3.467 2.990 3.609 0.029 11 0 "[ . 1 . 2]" 1
1056 1 16 HIS HA 1 20 ALA MB . . 3.490 2.496 2.301 2.784 . 0 0 "[ . 1 . 2]" 1
1057 1 15 LEU HB2 1 20 ALA MB . . 3.710 2.308 1.971 2.864 . 0 0 "[ . 1 . 2]" 1
1058 1 16 HIS H 1 20 ALA MB . . 4.520 3.094 2.899 3.311 . 0 0 "[ . 1 . 2]" 1
1059 1 20 ALA MB 1 21 GLN H . . 3.470 2.246 2.082 2.347 . 0 0 "[ . 1 . 2]" 1
1060 1 16 HIS HD2 1 20 ALA MB . . 3.640 2.498 2.104 2.916 . 0 0 "[ . 1 . 2]" 1
1061 1 38 ILE MG 2 5 PHE QE . . 3.960 2.954 2.491 3.870 . 0 0 "[ . 1 . 2]" 1
1062 1 38 ILE MG 1 44 TYR QD . . 3.180 2.338 2.032 2.843 . 0 0 "[ . 1 . 2]" 1
1063 1 38 ILE HA 1 38 ILE MG . . 3.280 2.374 2.263 2.481 . 0 0 "[ . 1 . 2]" 1
1064 1 38 ILE MD 1 38 ILE MG . . 3.150 2.085 1.912 2.427 . 0 0 "[ . 1 . 2]" 1
1065 1 38 ILE MG 1 43 LEU H . . 3.950 2.576 2.258 3.344 . 0 0 "[ . 1 . 2]" 1
1066 1 38 ILE H 1 38 ILE MG . . 4.460 3.763 3.750 3.767 . 0 0 "[ . 1 . 2]" 1
1067 1 38 ILE MG 1 52 VAL HA . . 4.770 3.433 3.222 3.592 . 0 0 "[ . 1 . 2]" 1
1068 1 17 ALA MB 1 18 ALA H . . 3.520 2.898 2.530 3.172 . 0 0 "[ . 1 . 2]" 1
1069 1 17 ALA MB 1 37 TYR QE . . 3.110 2.693 2.278 3.066 . 0 0 "[ . 1 . 2]" 1
1070 1 14 ILE HA 1 17 ALA MB . . 3.380 3.283 3.161 3.381 0.001 18 0 "[ . 1 . 2]" 1
1071 1 17 ALA H 1 17 ALA MB . . 2.870 2.133 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
1072 1 14 ILE MG 1 17 ALA MB . . 4.750 4.298 4.164 4.416 . 0 0 "[ . 1 . 2]" 1
1073 1 2 ILE MG 1 27 VAL QG . . 3.510 2.724 1.870 3.434 . 0 0 "[ . 1 . 2]" 1
1074 1 24 MET ME 1 24 MET QG . . 2.790 2.208 2.087 2.538 . 0 0 "[ . 1 . 2]" 1
1075 1 23 GLU HA 1 24 MET ME . . 4.060 4.004 3.768 4.098 0.038 3 0 "[ . 1 . 2]" 1
1076 1 24 MET QB 1 24 MET ME . . 4.160 3.411 1.840 3.736 . 0 0 "[ . 1 . 2]" 1
1077 1 23 GLU HB2 1 24 MET ME . . 2.820 2.207 1.930 3.176 0.356 3 0 "[ . 1 . 2]" 1
1078 1 79 MET ME 1 80 LEU H . . 3.620 3.128 2.223 3.665 0.045 7 0 "[ . 1 . 2]" 1
1079 1 79 MET H 1 79 MET ME . . 4.140 3.857 3.570 4.145 0.005 1 0 "[ . 1 . 2]" 1
1080 1 39 MET HA 1 39 MET ME . . 4.300 3.578 3.064 3.855 . 0 0 "[ . 1 . 2]" 1
1081 1 79 MET HB3 1 79 MET ME . . 2.850 2.186 1.917 2.796 . 0 0 "[ . 1 . 2]" 1
1082 1 79 MET ME 1 80 LEU QD . . 2.410 2.044 1.734 2.384 . 0 0 "[ . 1 . 2]" 1
1083 1 76 LEU HA 1 79 MET ME . . 3.640 2.700 2.268 3.164 . 0 0 "[ . 1 . 2]" 1
1084 1 63 LEU QD 1 79 MET ME . . 3.230 2.297 1.586 3.009 . 0 0 "[ . 1 . 2]" 1
1085 1 31 MET H 1 31 MET ME . . 4.720 4.499 4.146 4.832 0.112 11 0 "[ . 1 . 2]" 1
1086 1 31 MET ME 2 9 TRP HE1 . . 4.660 3.982 3.135 4.667 0.007 14 0 "[ . 1 . 2]" 1
1087 1 31 MET ME 2 9 TRP HZ2 . . 3.480 2.777 2.332 3.470 . 0 0 "[ . 1 . 2]" 1
1088 1 31 MET ME 2 9 TRP HH2 . . 4.200 3.037 2.352 3.501 . 0 0 "[ . 1 . 2]" 1
1089 1 31 MET HA 1 31 MET ME . . 4.260 2.720 2.031 3.592 . 0 0 "[ . 1 . 2]" 1
1090 1 31 MET ME 1 31 MET QG . . 2.990 2.544 2.374 2.760 . 0 0 "[ . 1 . 2]" 1
1091 1 31 MET ME 2 12 LEU QD . . 3.010 1.692 1.571 1.924 . 0 0 "[ . 1 . 2]" 1
1092 1 14 ILE MG 1 15 LEU H . . 3.900 3.330 3.263 3.405 . 0 0 "[ . 1 . 2]" 1
1093 1 38 ILE MD 1 52 VAL HA . . 4.470 4.328 4.091 4.487 0.017 3 0 "[ . 1 . 2]" 1
1094 1 38 ILE MD 2 5 PHE QE . . 3.710 2.753 2.272 3.250 . 0 0 "[ . 1 . 2]" 1
1095 1 38 ILE MD 2 5 PHE HZ . . 3.930 2.379 1.943 2.739 . 0 0 "[ . 1 . 2]" 1
1096 1 14 ILE HA 1 14 ILE MG . . 3.410 2.296 2.262 2.365 . 0 0 "[ . 1 . 2]" 1
1097 1 14 ILE HG13 1 14 ILE MG . . 3.210 2.814 2.319 3.173 . 0 0 "[ . 1 . 2]" 1
1098 1 51 MET ME 1 69 SER H . . 4.350 3.987 3.305 4.381 0.031 18 0 "[ . 1 . 2]" 1
1099 1 51 MET ME 1 68 PHE H . . 3.720 3.235 2.504 3.734 0.014 5 0 "[ . 1 . 2]" 1
1100 1 51 MET ME 1 52 VAL H . . 3.630 2.625 1.929 3.637 0.007 11 0 "[ . 1 . 2]" 1
1101 1 51 MET ME 1 53 TYR QD . . 4.830 3.637 3.137 4.385 . 0 0 "[ . 1 . 2]" 1
1102 1 51 MET ME 1 53 TYR QE . . 3.880 3.349 2.686 3.898 0.018 20 0 "[ . 1 . 2]" 1
1103 1 51 MET ME 1 69 SER HA . . 4.430 3.042 2.463 3.583 . 0 0 "[ . 1 . 2]" 1
1104 1 51 MET HA 1 51 MET ME . . 3.160 2.221 1.925 2.722 . 0 0 "[ . 1 . 2]" 1
1105 1 51 MET QB 1 51 MET ME . . 2.700 2.095 1.864 2.701 0.001 1 0 "[ . 1 . 2]" 1
1106 1 51 MET ME 1 51 MET QG . . 3.180 2.536 2.323 2.665 . 0 0 "[ . 1 . 2]" 1
1107 1 51 MET ME 1 52 VAL HB . . 4.640 4.198 3.735 4.744 0.104 18 0 "[ . 1 . 2]" 1
1108 1 51 MET H 1 51 MET ME . . 4.370 4.329 4.195 4.455 0.085 1 0 "[ . 1 . 2]" 1
1109 1 38 ILE HA 1 38 ILE MD . . 4.130 3.869 3.835 3.938 . 0 0 "[ . 1 . 2]" 1
1110 1 2 ILE MD 1 3 ASN H . . 4.710 3.847 1.921 4.439 . 0 0 "[ . 1 . 2]" 1
1111 1 2 ILE MD 1 27 VAL QG . . 3.060 2.842 2.425 3.103 0.043 20 0 "[ . 1 . 2]" 1
1112 1 2 ILE HA 1 2 ILE MD . . 4.170 2.394 1.880 3.854 . 0 0 "[ . 1 . 2]" 1
1113 2 5 PHE H 2 6 SER H . . 3.050 2.949 2.646 3.083 0.033 6 0 "[ . 1 . 2]" 1
1114 2 6 SER H 2 7 ASP H . . 3.060 2.736 2.554 2.876 . 0 0 "[ . 1 . 2]" 1
1115 2 7 ASP H 2 8 LEU H . . 3.060 2.738 2.061 3.097 0.037 13 0 "[ . 1 . 2]" 1
1116 2 8 LEU H 2 9 TRP H . . 3.010 2.537 2.280 2.662 . 0 0 "[ . 1 . 2]" 1
1117 2 9 TRP H 2 10 LYS H . . 3.450 3.154 2.995 3.197 . 0 0 "[ . 1 . 2]" 1
1118 2 10 LYS H 2 11 LEU H . . 2.920 2.887 2.730 2.996 0.076 8 0 "[ . 1 . 2]" 1
1119 2 11 LEU H 2 12 LEU H . . 2.980 2.879 2.666 3.047 0.067 6 0 "[ . 1 . 2]" 1
1120 2 14 GLU H 2 15 ASN H . . 3.890 3.019 1.898 4.132 0.242 16 0 "[ . 1 . 2]" 1
1121 2 4 THR HA 2 5 PHE H . . 3.560 2.760 2.223 3.570 0.010 2 0 "[ . 1 . 2]" 1
1122 2 4 THR HA 2 6 SER H . . 4.560 4.554 4.147 4.716 0.156 18 0 "[ . 1 . 2]" 1
1123 2 4 THR HA 2 7 ASP H . . 4.260 4.322 3.635 4.527 0.267 17 0 "[ . 1 . 2]" 1
1124 2 6 SER HA 2 7 ASP H . . 3.760 3.483 3.396 3.541 . 0 0 "[ . 1 . 2]" 1
1125 2 6 SER HA 2 8 LEU H . . 4.960 4.802 4.229 4.973 0.013 7 0 "[ . 1 . 2]" 1
1126 2 6 SER HA 2 9 TRP H . . 4.760 4.248 3.946 4.606 . 0 0 "[ . 1 . 2]" 1
1127 2 6 SER HA 2 10 LYS H . . 4.560 3.370 2.990 4.583 0.023 3 0 "[ . 1 . 2]" 1
1128 2 5 PHE HA 2 8 LEU H . . 4.170 3.537 3.047 3.740 . 0 0 "[ . 1 . 2]" 1
1129 2 5 PHE HA 2 9 TRP H . . 4.050 3.100 2.405 3.411 . 0 0 "[ . 1 . 2]" 1
1130 2 7 ASP HA 2 8 LEU H . . 3.660 3.551 3.372 3.570 . 0 0 "[ . 1 . 2]" 1
1131 2 7 ASP HA 2 10 LYS H . . 4.660 4.669 4.176 4.722 0.062 6 0 "[ . 1 . 2]" 1
1132 2 8 LEU HA 2 9 TRP H . . 3.510 3.563 3.535 3.570 0.060 17 0 "[ . 1 . 2]" 1
1133 2 8 LEU HA 2 10 LYS H . . 4.510 4.528 4.290 4.604 0.094 15 0 "[ . 1 . 2]" 1
1134 2 9 TRP HA 2 10 LYS H . . 3.450 3.568 3.558 3.571 0.121 6 0 "[ . 1 . 2]" 1
1135 2 10 LYS HA 2 11 LEU H . . 3.920 3.538 3.510 3.561 . 0 0 "[ . 1 . 2]" 1
1136 2 13 PRO HA 2 14 GLU H . . 3.420 2.801 2.152 3.493 0.073 19 0 "[ . 1 . 2]" 1
1137 2 11 LEU HA 2 12 LEU H . . 3.980 3.506 3.378 3.555 . 0 0 "[ . 1 . 2]" 1
1138 2 5 PHE H 2 5 PHE HB2 . . 3.930 2.149 2.084 2.295 . 0 0 "[ . 1 . 2]" 1
1139 2 5 PHE H 2 5 PHE HB3 . . 3.930 3.119 2.821 3.448 . 0 0 "[ . 1 . 2]" 1
1140 2 8 LEU H 2 8 LEU QD . . 3.520 2.728 1.872 3.564 0.044 15 0 "[ . 1 . 2]" 1
1141 2 7 ASP HB3 2 8 LEU H . . 3.790 2.492 2.013 3.559 . 0 0 "[ . 1 . 2]" 1
1142 2 7 ASP HB2 2 8 LEU H . . 4.790 3.403 2.288 4.072 . 0 0 "[ . 1 . 2]" 1
1143 2 4 THR H 2 7 ASP HB3 . . 4.790 3.734 2.149 4.818 0.028 19 0 "[ . 1 . 2]" 1
1144 2 4 THR H 2 7 ASP HB2 . . 3.790 3.105 1.965 3.835 0.045 2 0 "[ . 1 . 2]" 1
1145 2 6 SER HB2 2 7 ASP H . . 3.840 3.444 2.843 3.845 0.005 19 0 "[ . 1 . 2]" 1
1146 2 7 ASP H 2 7 ASP HB2 . . 3.730 2.428 2.122 2.911 . 0 0 "[ . 1 . 2]" 1
1147 2 5 PHE QD 2 9 TRP HA . . 3.430 3.594 3.479 3.665 0.235 15 0 "[ . 1 . 2]" 1
1148 2 6 SER HB3 2 7 ASP H . . 3.840 3.101 2.622 3.738 . 0 0 "[ . 1 . 2]" 1
1149 2 10 LYS HA 2 12 LEU H . . 4.230 3.963 3.448 4.256 0.026 1 0 "[ . 1 . 2]" 1
1150 2 10 LYS HB2 2 11 LEU H . . 3.830 3.374 2.620 3.837 0.007 3 0 "[ . 1 . 2]" 1
1151 2 11 LEU HB3 2 12 LEU H . . 3.830 2.888 2.406 3.804 . 0 0 "[ . 1 . 2]" 1
1152 2 11 LEU HB2 2 12 LEU H . . 3.830 3.524 2.456 3.821 . 0 0 "[ . 1 . 2]" 1
1153 2 10 LYS HB3 2 11 LEU H . . 3.830 3.140 2.509 3.847 0.017 8 0 "[ . 1 . 2]" 1
1154 2 9 TRP HD1 2 10 LYS HA . . 4.100 4.194 3.863 4.283 0.183 19 0 "[ . 1 . 2]" 1
1155 2 9 TRP HA 2 12 LEU QD . . 3.480 2.742 1.988 3.395 . 0 0 "[ . 1 . 2]" 1
1156 2 13 PRO HA 2 15 ASN H . . 4.890 4.052 3.236 5.078 0.188 19 0 "[ . 1 . 2]" 1
1157 2 3 GLU HA 2 4 THR H . . 3.720 2.697 2.150 3.568 . 0 0 "[ . 1 . 2]" 1
1158 2 3 GLU QB 2 4 THR H . . 3.170 2.537 1.892 3.187 0.017 10 0 "[ . 1 . 2]" 1
1159 2 4 THR HA 2 4 THR MG . . 3.720 2.620 2.163 3.184 . 0 0 "[ . 1 . 2]" 1
1160 2 4 THR MG 2 5 PHE H . . 4.030 1.931 1.789 2.251 . 0 0 "[ . 1 . 2]" 1
1161 2 4 THR H 2 4 THR MG . . 3.640 3.360 2.631 3.783 0.143 14 0 "[ . 1 . 2]" 1
1162 2 2 GLN HA 2 2 GLN QE . . 3.130 2.796 1.948 3.129 . 0 0 "[ . 1 . 2]" 1
1163 2 2 GLN QB 2 2 GLN QE . . 3.020 2.333 1.926 2.938 . 0 0 "[ . 1 . 2]" 1
1164 2 5 PHE H 2 5 PHE QB . . 3.270 2.109 2.059 2.204 . 0 0 "[ . 1 . 2]" 1
1165 2 5 PHE HA 2 8 LEU QB . . 4.340 3.619 2.305 4.408 0.068 5 0 "[ . 1 . 2]" 1
1166 2 6 SER HA 2 9 TRP HB2 . . 4.840 3.740 3.406 4.304 . 0 0 "[ . 1 . 2]" 1
1167 2 6 SER HA 2 9 TRP HB3 . . 4.570 2.733 2.406 3.516 . 0 0 "[ . 1 . 2]" 1
1168 2 7 ASP HA 2 10 LYS QB . . 4.800 4.038 3.553 4.639 . 0 0 "[ . 1 . 2]" 1
1169 2 5 PHE QB 2 6 SER H . . 3.810 2.546 2.183 2.857 . 0 0 "[ . 1 . 2]" 1
1170 2 6 SER QB 2 7 ASP H . . 3.080 2.853 2.551 3.128 0.048 19 0 "[ . 1 . 2]" 1
1171 2 7 ASP H 2 7 ASP QB . . 3.210 2.256 2.092 2.573 . 0 0 "[ . 1 . 2]" 1
1172 2 7 ASP QB 2 8 LEU H . . 3.330 2.319 1.999 3.161 . 0 0 "[ . 1 . 2]" 1
1173 2 8 LEU QD 2 9 TRP H . . 4.470 3.618 3.004 3.984 . 0 0 "[ . 1 . 2]" 1
1174 2 9 TRP HA 2 12 LEU QB . . 4.260 3.682 2.647 4.321 0.061 15 0 "[ . 1 . 2]" 1
1175 2 9 TRP HE3 2 12 LEU QD . . 3.830 2.924 2.269 3.715 . 0 0 "[ . 1 . 2]" 1
1176 2 9 TRP HZ3 2 12 LEU QD . . 4.230 2.939 2.243 3.868 . 0 0 "[ . 1 . 2]" 1
1177 2 14 GLU H 2 14 GLU QG . . 3.320 2.375 1.842 3.214 . 0 0 "[ . 1 . 2]" 1
1178 2 14 GLU HA 2 14 GLU QG . . 3.500 2.980 2.375 3.478 . 0 0 "[ . 1 . 2]" 1
1179 2 14 GLU HA 2 15 ASN H . . 3.500 3.436 2.189 3.567 0.067 5 0 "[ . 1 . 2]" 1
1180 2 14 GLU HB2 2 15 ASN H . . 3.500 2.989 1.927 4.130 0.630 17 1 "[ . 1 . + 2]" 1
1181 2 15 ASN H 2 15 ASN QB . . 3.290 2.761 2.178 3.278 . 0 0 "[ . 1 . 2]" 1
1182 2 15 ASN HA 2 15 ASN QD . . 4.180 3.385 2.348 4.116 . 0 0 "[ . 1 . 2]" 1
1183 2 5 PHE HZ 2 9 TRP HH2 . . 4.280 4.414 4.173 4.498 0.218 14 0 "[ . 1 . 2]" 1
1184 2 5 PHE HZ 2 9 TRP HE3 . . 4.050 3.340 2.285 4.155 0.105 18 0 "[ . 1 . 2]" 1
1185 2 8 LEU HB3 2 9 TRP H . . 4.270 3.327 2.260 3.970 . 0 0 "[ . 1 . 2]" 1
1186 2 8 LEU HB2 2 9 TRP H . . 3.970 2.589 2.152 3.543 . 0 0 "[ . 1 . 2]" 1
1187 2 5 PHE HA 2 6 SER H . . 3.840 3.537 3.472 3.569 . 0 0 "[ . 1 . 2]" 1
1188 2 9 TRP HB3 2 10 LYS H . . 3.540 2.237 2.164 2.405 . 0 0 "[ . 1 . 2]" 1
1189 2 9 TRP HB2 2 10 LYS H . . 3.540 3.565 3.429 3.717 0.177 15 0 "[ . 1 . 2]" 1
1190 2 4 THR MG 2 5 PHE HA . . 3.850 3.868 3.749 3.903 0.053 4 0 "[ . 1 . 2]" 1
1191 1 38 ILE MD 2 9 TRP HE3 . . 4.740 4.702 4.325 4.809 0.069 16 0 "[ . 1 . 2]" 1
1192 1 38 ILE MD 2 9 TRP HZ3 . . 3.930 3.505 3.299 3.627 . 0 0 "[ . 1 . 2]" 1
1193 1 35 GLY HA3 2 9 TRP HH2 . . 5.020 4.691 4.391 5.012 . 0 0 "[ . 1 . 2]" 1
1194 1 35 GLY HA2 2 9 TRP HH2 . . 5.020 4.024 3.629 4.364 . 0 0 "[ . 1 . 2]" 1
1195 1 35 GLY HA2 2 9 TRP HE1 . . 5.240 4.518 4.248 4.632 . 0 0 "[ . 1 . 2]" 1
1196 1 38 ILE MG 2 5 PHE HZ . . 4.100 3.587 2.879 4.134 0.034 15 0 "[ . 1 . 2]" 1
1197 1 34 LEU QD 2 9 TRP HZ2 . . 3.920 3.577 3.180 3.672 . 0 0 "[ . 1 . 2]" 1
1198 1 31 MET ME 2 14 GLU HA . . 4.190 4.066 3.674 4.280 0.090 8 0 "[ . 1 . 2]" 1
1199 1 31 MET ME 2 9 TRP HZ3 . . 3.990 3.980 3.723 4.077 0.087 15 0 "[ . 1 . 2]" 1
1200 1 76 LEU QD 2 9 TRP HZ3 . . 4.120 3.455 3.247 3.699 . 0 0 "[ . 1 . 2]" 1
1201 1 34 LEU HG 2 9 TRP HZ2 . . 4.740 3.745 3.444 4.764 0.024 16 0 "[ . 1 . 2]" 1
1202 1 31 MET QG 2 9 TRP HZ2 . . 5.040 4.204 2.667 4.891 . 0 0 "[ . 1 . 2]" 1
1203 1 70 VAL HB 2 12 LEU QD . . 3.940 3.041 2.387 3.462 . 0 0 "[ . 1 . 2]" 1
1204 1 34 LEU QB 2 9 TRP HH2 . . 4.690 2.312 2.139 2.744 . 0 0 "[ . 1 . 2]" 1
1205 1 35 GLY QA 2 9 TRP HH2 . . 4.210 3.804 3.480 4.109 . 0 0 "[ . 1 . 2]" 1
1206 1 38 ILE QG 2 9 TRP HH2 . . 4.870 4.896 4.790 4.985 0.115 15 0 "[ . 1 . 2]" 1
1207 1 52 VAL QG 2 5 PHE QE . . 3.620 3.255 2.856 3.804 0.184 18 0 "[ . 1 . 2]" 1
1208 1 70 VAL QG 2 9 TRP HA . . 3.880 2.842 2.462 3.318 . 0 0 "[ . 1 . 2]" 1
1209 1 71 LYS QE 2 8 LEU QD . . 3.520 2.226 1.720 3.192 . 0 0 "[ . 1 . 2]" 1
1210 1 73 PRO QG 2 12 LEU QD . . 4.090 3.269 2.038 4.159 0.069 14 0 "[ . 1 . 2]" 1
1211 1 73 PRO QD 2 12 LEU QD . . 4.300 3.024 1.846 3.853 . 0 0 "[ . 1 . 2]" 1
1212 1 76 LEU QD 2 12 LEU QD . . 3.430 1.845 1.639 2.089 . 0 0 "[ . 1 . 2]" 1
1213 1 80 LEU QD 2 12 LEU QD . . 4.200 4.275 4.206 4.368 0.168 15 0 "[ . 1 . 2]" 1
1214 1 35 GLY H 2 9 TRP HZ2 . . 4.130 1.979 1.921 2.429 . 0 0 "[ . 1 . 2]" 1
1215 1 35 GLY H 2 9 TRP HZ3 . . 5.180 5.224 5.131 5.287 0.107 6 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 896
_Distance_constraint_stats_list.Viol_total 5748.790
_Distance_constraint_stats_list.Viol_max 1.999
_Distance_constraint_stats_list.Viol_rms 0.3572
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2994
_Distance_constraint_stats_list.Viol_average_violations_only 0.3208
_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 12 LEU 6.739 0.271 9 0 "[ . 1 . 2]"
1 13 LYS 8.175 0.280 20 0 "[ . 1 . 2]"
1 16 HIS 13.507 0.271 9 0 "[ . 1 . 2]"
1 17 ALA 8.175 0.280 20 0 "[ . 1 . 2]"
1 19 GLY 6.768 0.251 8 0 "[ . 1 . 2]"
1 26 THR 5.163 0.282 5 0 "[ . 1 . 2]"
1 27 VAL 8.381 0.309 15 0 "[ . 1 . 2]"
1 28 LYS 7.231 0.598 12 1 "[ . 1 + . 2]"
1 29 GLU 23.974 1.051 7 16 "[****.*+ -* ********]"
1 30 VAL 5.163 0.282 5 0 "[ . 1 . 2]"
1 31 MET 8.381 0.309 15 0 "[ . 1 . 2]"
1 32 HIS 46.356 1.268 14 20 [***********-*+******]
1 33 TYR 26.108 1.051 7 16 "[****.*+ -* ********]"
1 34 LEU 9.980 0.320 18 0 "[ . 1 . 2]"
1 35 GLY 11.878 0.426 16 0 "[ . 1 . 2]"
1 36 GLN 44.293 1.268 14 20 [-************+******]
1 37 TYR 9.638 0.243 12 0 "[ . 1 . 2]"
1 38 ILE 15.066 0.323 9 0 "[ . 1 . 2]"
1 39 MET 11.878 0.426 16 0 "[ . 1 . 2]"
1 40 VAL 5.168 0.243 9 0 "[ . 1 . 2]"
1 41 LYS 7.503 0.243 12 0 "[ . 1 . 2]"
1 42 GLN 5.086 0.323 9 0 "[ . 1 . 2]"
1 48 GLU 2.106 0.234 14 0 "[ . 1 . 2]"
1 51 MET 2.106 0.234 14 0 "[ . 1 . 2]"
1 54 CYS 9.327 0.308 14 0 "[ . 1 . 2]"
1 57 ASP 15.913 0.308 14 0 "[ . 1 . 2]"
1 58 LEU 10.075 0.330 18 0 "[ . 1 . 2]"
1 59 LEU 9.445 0.318 20 0 "[ . 1 . 2]"
1 60 GLY 6.213 0.295 6 0 "[ . 1 . 2]"
1 61 GLU 6.585 0.303 13 0 "[ . 1 . 2]"
1 62 LEU 10.075 0.330 18 0 "[ . 1 . 2]"
1 63 LEU 9.445 0.318 20 0 "[ . 1 . 2]"
1 64 GLY 6.213 0.295 6 0 "[ . 1 . 2]"
1 76 LEU 12.807 0.405 14 0 "[ . 1 . 2]"
1 77 TYR 6.048 0.298 20 0 "[ . 1 . 2]"
1 78 ASP 66.968 1.999 20 20 [******************-+]
1 80 LEU 23.366 0.494 19 0 "[ . 1 . 2]"
1 81 ARG 6.048 0.298 20 0 "[ . 1 . 2]"
1 82 LYS 66.968 1.999 20 20 [******************-+]
1 83 ASN 10.559 0.494 19 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 12 LEU O 1 16 HIS H . . 1.800 1.945 1.857 2.042 0.242 9 0 "[ . 1 . 2]" 2
2 1 12 LEU O 1 16 HIS N . . 2.700 2.892 2.800 2.971 0.271 9 0 "[ . 1 . 2]" 2
3 1 13 LYS O 1 17 ALA H . . 1.800 1.984 1.797 2.038 0.238 9 0 "[ . 1 . 2]" 2
4 1 13 LYS O 1 17 ALA N . . 2.700 2.924 2.746 2.980 0.280 20 0 "[ . 1 . 2]" 2
5 1 16 HIS O 1 19 GLY H . . 1.800 1.982 1.834 2.015 0.215 6 0 "[ . 1 . 2]" 2
6 1 16 HIS O 1 19 GLY N . . 2.700 2.856 2.698 2.951 0.251 8 0 "[ . 1 . 2]" 2
7 1 26 THR O 1 30 VAL H . . 1.800 1.907 1.799 2.004 0.204 8 0 "[ . 1 . 2]" 2
8 1 26 THR O 1 30 VAL N . . 2.700 2.851 2.715 2.982 0.282 5 0 "[ . 1 . 2]" 2
9 1 27 VAL O 1 31 MET H . . 1.800 1.992 1.834 2.062 0.262 15 0 "[ . 1 . 2]" 2
10 1 27 VAL O 1 31 MET N . . 2.700 2.927 2.773 3.009 0.309 15 0 "[ . 1 . 2]" 2
11 1 28 LYS O 1 32 HIS H . . 1.800 1.983 1.778 2.398 0.598 12 1 "[ . 1 + . 2]" 2
12 1 28 LYS O 1 32 HIS N . . 2.700 2.876 2.697 3.265 0.565 12 1 "[ . 1 + . 2]" 2
13 1 29 GLU O 1 33 TYR H . . 1.800 2.445 1.954 2.851 1.051 7 16 "[****.*+ -* ********]" 2
14 1 29 GLU O 1 33 TYR N . . 2.700 3.254 2.797 3.592 0.892 7 13 "[ ***.*+ 1* -**** **]" 2
15 1 32 HIS O 1 36 GLN H . . 1.800 2.749 2.567 3.007 1.207 14 20 [-************+******] 2
16 1 32 HIS O 1 36 GLN N . . 2.700 3.708 3.516 3.968 1.268 14 20 [-************+******] 2
17 1 33 TYR O 1 37 TYR H . . 1.800 1.838 1.787 1.952 0.152 14 0 "[ . 1 . 2]" 2
18 1 33 TYR O 1 37 TYR N . . 2.700 2.766 2.684 2.883 0.183 14 0 "[ . 1 . 2]" 2
19 1 34 LEU O 1 38 ILE H . . 1.800 2.020 1.988 2.048 0.248 18 0 "[ . 1 . 2]" 2
20 1 34 LEU O 1 38 ILE N . . 2.700 2.979 2.920 3.020 0.320 18 0 "[ . 1 . 2]" 2
21 1 35 GLY O 1 39 MET H . . 1.800 2.064 2.024 2.173 0.373 16 0 "[ . 1 . 2]" 2
22 1 35 GLY O 1 39 MET N . . 2.700 3.030 2.999 3.126 0.426 16 0 "[ . 1 . 2]" 2
23 1 36 GLN O 1 40 VAL H . . 1.800 1.962 1.780 2.043 0.243 9 0 "[ . 1 . 2]" 2
24 1 36 GLN O 1 40 VAL N . . 2.700 2.792 2.679 2.864 0.164 3 0 "[ . 1 . 2]" 2
25 1 38 ILE O 1 42 GLN H . . 1.800 2.046 2.004 2.123 0.323 9 0 "[ . 1 . 2]" 2
26 1 38 ILE O 1 42 GLN N . . 2.700 2.696 2.636 2.757 0.057 15 0 "[ . 1 . 2]" 2
27 1 37 TYR O 1 41 LYS H . . 1.800 1.989 1.795 2.042 0.242 16 0 "[ . 1 . 2]" 2
28 1 37 TYR O 1 41 LYS N . . 2.700 2.883 2.643 2.943 0.243 12 0 "[ . 1 . 2]" 2
29 1 48 GLU O 1 51 MET H . . 1.800 1.877 1.782 2.034 0.234 14 0 "[ . 1 . 2]" 2
30 1 48 GLU O 1 51 MET N . . 2.700 2.713 2.638 2.925 0.225 13 0 "[ . 1 . 2]" 2
31 1 54 CYS O 1 57 ASP H . . 1.800 2.015 2.003 2.033 0.233 14 0 "[ . 1 . 2]" 2
32 1 54 CYS O 1 57 ASP N . . 2.700 2.952 2.712 3.008 0.308 14 0 "[ . 1 . 2]" 2
33 1 57 ASP O 1 61 GLU H . . 1.800 1.943 1.804 2.055 0.255 13 0 "[ . 1 . 2]" 2
34 1 57 ASP O 1 61 GLU N . . 2.700 2.886 2.738 3.003 0.303 13 0 "[ . 1 . 2]" 2
35 1 58 LEU O 1 62 LEU H . . 1.800 2.027 1.892 2.060 0.260 18 0 "[ . 1 . 2]" 2
36 1 58 LEU O 1 62 LEU N . . 2.700 2.977 2.867 3.030 0.330 18 0 "[ . 1 . 2]" 2
37 1 59 LEU O 1 63 LEU H . . 1.800 2.024 1.983 2.053 0.253 18 0 "[ . 1 . 2]" 2
38 1 59 LEU O 1 63 LEU N . . 2.700 2.948 2.833 3.018 0.318 20 0 "[ . 1 . 2]" 2
39 1 60 GLY O 1 64 GLY H . . 1.800 1.960 1.794 2.031 0.231 18 0 "[ . 1 . 2]" 2
40 1 60 GLY O 1 64 GLY N . . 2.700 2.849 2.679 2.995 0.295 6 0 "[ . 1 . 2]" 2
41 1 76 LEU O 1 80 LEU H . . 1.800 2.090 2.036 2.162 0.362 11 0 "[ . 1 . 2]" 2
42 1 76 LEU O 1 80 LEU N . . 2.700 3.050 3.003 3.105 0.405 14 0 "[ . 1 . 2]" 2
43 1 77 TYR O 1 81 ARG H . . 1.800 1.956 1.809 2.062 0.262 20 0 "[ . 1 . 2]" 2
44 1 77 TYR O 1 81 ARG N . . 2.700 2.846 2.701 2.998 0.298 20 0 "[ . 1 . 2]" 2
45 1 78 ASP O 1 82 LYS H . . 1.800 3.483 2.848 3.799 1.999 20 20 [******************-+] 2
46 1 78 ASP O 1 82 LYS N . . 2.700 4.366 3.744 4.692 1.992 20 20 [******************-+] 2
47 1 80 LEU O 1 83 ASN H . . 1.800 2.174 2.045 2.294 0.494 19 0 "[ . 1 . 2]" 2
48 1 80 LEU O 1 83 ASN N . . 2.700 2.854 2.733 3.020 0.320 19 0 "[ . 1 . 2]" 2
stop_
save_
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