NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398745 |
1toz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1toz
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 1324
_Distance_constraint_stats_list.Viol_count 2407
_Distance_constraint_stats_list.Viol_total 5493.996
_Distance_constraint_stats_list.Viol_max 0.959
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1141
_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 3.199 0.636 1 3 "[+ . 1- *. 2]"
1 2 ASP 1.559 0.103 18 0 "[ . 1 . 2]"
1 3 VAL 12.388 0.425 17 0 "[ . 1 . 2]"
1 4 ASP 4.083 0.368 9 0 "[ . 1 . 2]"
1 5 GLU 11.952 0.332 17 0 "[ . 1 . 2]"
1 6 CYS 6.179 0.272 3 0 "[ . 1 . 2]"
1 7 SER 10.074 0.518 1 3 "[+ * . 1 - . 2]"
1 8 LEU 10.896 0.439 8 0 "[ . 1 . 2]"
1 9 GLY 8.230 0.439 8 0 "[ . 1 . 2]"
1 10 ALA 4.686 0.248 11 0 "[ . 1 . 2]"
1 11 ASN 7.408 0.653 8 1 "[ . + 1 . 2]"
1 12 PRO 13.300 0.730 11 8 "[ ** * 1+* *. * -]"
1 13 CYS 10.307 0.584 11 1 "[ . 1+ . 2]"
1 14 GLU 9.070 0.653 8 1 "[ . + 1 . 2]"
1 15 HIS 0.896 0.140 3 0 "[ . 1 . 2]"
1 16 ALA 4.031 0.584 11 1 "[ . 1+ . 2]"
1 17 GLY 7.017 0.425 8 0 "[ . 1 . 2]"
1 18 LYS 6.991 0.959 9 1 "[ . +1 . 2]"
1 19 CYS 2.736 0.216 19 0 "[ . 1 . 2]"
1 20 ILE 15.897 0.959 9 9 "[ * .* +1** -** *2]"
1 21 ASN 5.558 0.181 15 0 "[ . 1 . 2]"
1 22 THR 6.315 0.198 1 0 "[ . 1 . 2]"
1 23 LEU 5.291 0.193 17 0 "[ . 1 . 2]"
1 24 GLY 0.458 0.060 20 0 "[ . 1 . 2]"
1 25 SER 5.381 0.193 17 0 "[ . 1 . 2]"
1 26 PHE 13.005 0.518 1 3 "[+ * . 1 - . 2]"
1 27 GLU 3.256 0.138 9 0 "[ . 1 . 2]"
1 28 CYS 3.915 0.400 8 0 "[ . 1 . 2]"
1 29 GLN 14.277 0.904 6 14 "[****.+ **** -****2]"
1 30 CYS 6.167 0.722 18 9 "[* **. -* * . *+*2]"
1 31 LEU 17.033 0.478 8 0 "[ . 1 . 2]"
1 32 GLN 14.286 0.478 8 0 "[ . 1 . 2]"
1 33 GLY 3.836 0.253 9 0 "[ . 1 . 2]"
1 34 TYR 10.070 0.437 8 0 "[ . 1 . 2]"
1 35 THR 0.848 0.066 19 0 "[ . 1 . 2]"
1 36 GLY 6.239 0.191 18 0 "[ . 1 . 2]"
1 37 PRO 6.928 0.250 10 0 "[ . 1 . 2]"
1 38 ARG 1.083 0.102 11 0 "[ . 1 . 2]"
1 39 CYS 7.596 0.273 16 0 "[ . 1 . 2]"
1 40 GLU 7.520 0.304 17 0 "[ . 1 . 2]"
1 41 ILE 22.561 0.730 11 8 "[ ** * 1+* *. * -]"
1 42 ASP 4.164 0.448 10 0 "[ . 1 . 2]"
1 43 VAL 4.946 0.268 12 0 "[ . 1 . 2]"
1 44 ASN 6.578 0.469 19 0 "[ . 1 . 2]"
1 45 GLU 5.286 0.477 20 0 "[ . 1 . 2]"
1 46 CYS 2.611 0.174 9 0 "[ . 1 . 2]"
1 47 VAL 9.916 0.495 10 0 "[ . 1 . 2]"
1 48 SER 6.911 0.495 10 0 "[ . 1 . 2]"
1 49 ASN 2.894 0.152 14 0 "[ . 1 . 2]"
1 50 PRO 6.028 0.318 11 0 "[ . 1 . 2]"
1 51 CYS 6.411 0.405 12 0 "[ . 1 . 2]"
1 52 GLN 2.267 0.894 14 1 "[ . 1 +. 2]"
1 53 ASN 0.681 0.222 14 0 "[ . 1 . 2]"
1 54 ASP 0.605 0.354 14 0 "[ . 1 . 2]"
1 55 ALA 5.013 0.405 12 0 "[ . 1 . 2]"
1 56 THR 3.168 0.350 1 0 "[ . 1 . 2]"
1 57 CYS 3.187 0.350 1 0 "[ . 1 . 2]"
1 58 LEU 2.817 0.444 19 0 "[ . 1 . 2]"
1 59 ASP 0.436 0.096 18 0 "[ . 1 . 2]"
1 60 GLN 9.190 0.901 2 2 "[ + . -1 . 2]"
1 61 ILE 3.487 0.209 19 0 "[ . 1 . 2]"
1 62 GLY 0.928 0.208 19 0 "[ . 1 . 2]"
1 63 GLU 3.847 0.725 9 1 "[ . +1 . 2]"
1 64 PHE 2.851 0.369 17 0 "[ . 1 . 2]"
1 65 GLN 3.235 0.901 2 1 "[ + . 1 . 2]"
1 66 CYS 0.884 0.153 20 0 "[ . 1 . 2]"
1 67 ILE 1.795 0.340 20 0 "[ . 1 . 2]"
1 68 CYS 2.246 0.732 20 2 "[ . - . +]"
1 69 MET 2.554 0.732 20 2 "[ . - . +]"
1 70 PRO 0.590 0.151 16 0 "[ . 1 . 2]"
1 71 GLY 0.717 0.229 4 0 "[ . 1 . 2]"
1 72 TYR 5.832 0.447 7 0 "[ . 1 . 2]"
1 73 GLU 2.847 0.223 14 0 "[ . 1 . 2]"
1 74 GLY 5.322 0.356 5 0 "[ . 1 . 2]"
1 75 VAL 6.376 0.343 19 0 "[ . 1 . 2]"
1 76 HIS 2.311 0.894 14 1 "[ . 1 +. 2]"
1 77 CYS 0.400 0.174 4 0 "[ . 1 . 2]"
1 78 GLU 3.954 0.620 2 3 "[ + . -* . 2]"
1 79 VAL 7.778 0.620 2 3 "[ + . -* . 2]"
1 80 ASN 5.610 0.366 6 0 "[ . 1 . 2]"
1 81 THR 1.552 0.163 17 0 "[ . 1 . 2]"
1 82 ASP 1.213 0.495 3 0 "[ . 1 . 2]"
1 83 GLU 4.183 0.476 6 0 "[ . 1 . 2]"
1 84 CYS 4.235 0.476 6 0 "[ . 1 . 2]"
1 85 ALA 1.124 0.495 3 0 "[ . 1 . 2]"
1 86 SER 0.031 0.014 9 0 "[ . 1 . 2]"
1 87 SER 0.475 0.158 9 0 "[ . 1 . 2]"
1 88 PRO 1.511 0.350 7 0 "[ . 1 . 2]"
1 89 CYS 1.654 0.350 7 0 "[ . 1 . 2]"
1 90 LEU 3.390 0.567 16 1 "[ . 1 .+ 2]"
1 91 HIS 5.573 0.567 16 3 "[ . *1 .+ -]"
1 92 ASN 2.940 0.512 9 2 "[ . +1 . -]"
1 93 GLY 0.786 0.310 1 0 "[ . 1 . 2]"
1 94 ARG 0.529 0.229 4 0 "[ . 1 . 2]"
1 95 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 1.083 0.596 6 1 "[ .+ 1 . 2]"
1 97 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 5.666 0.923 19 1 "[ . 1 . +2]"
1 99 ILE 1.462 0.447 7 0 "[ . 1 . 2]"
1 100 ASN 0.034 0.034 7 0 "[ . 1 . 2]"
1 101 GLU 1.774 0.432 14 0 "[ . 1 . 2]"
1 102 PHE 3.216 0.596 6 1 "[ .+ 1 . 2]"
1 103 GLN 2.400 0.495 12 0 "[ . 1 . 2]"
1 104 CYS 0.509 0.229 4 0 "[ . 1 . 2]"
1 105 GLU 1.097 0.623 17 1 "[ . 1 . + 2]"
1 106 CYS 3.085 0.623 17 1 "[ . 1 . + 2]"
1 107 PRO 6.781 0.595 4 1 "[ +. 1 . 2]"
1 108 THR 3.919 0.685 4 1 "[ +. 1 . 2]"
1 109 GLY 1.717 0.685 4 1 "[ +. 1 . 2]"
1 110 PHE 2.591 0.595 4 1 "[ +. 1 . 2]"
1 111 THR 0.133 0.121 4 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 98 LYS HG3 1 103 GLN H . . 5.500 3.887 2.448 5.521 0.021 19 0 "[ . 1 . 2]" 1
2 1 95 CYS HA 1 103 GLN H . . 5.110 4.274 3.682 5.037 . 0 0 "[ . 1 . 2]" 1
3 1 96 LEU QD 1 103 GLN H . . 5.500 4.154 3.577 4.509 . 0 0 "[ . 1 . 2]" 1
4 1 20 ILE H 1 27 GLU HG2 . . 5.500 3.699 3.595 3.834 . 0 0 "[ . 1 . 2]" 1
5 1 20 ILE H 1 28 CYS HA . . 5.220 2.502 2.319 2.685 . 0 0 "[ . 1 . 2]" 1
6 1 19 CYS QB 1 20 ILE H . . 5.200 3.703 3.491 3.872 . 0 0 "[ . 1 . 2]" 1
7 1 20 ILE H 1 22 THR MG . . 5.500 5.448 5.209 5.560 0.060 20 0 "[ . 1 . 2]" 1
8 1 58 LEU H 1 65 GLN QG . . 5.500 3.854 3.418 5.156 . 0 0 "[ . 1 . 2]" 1
9 1 58 LEU H 1 66 CYS HA . . 4.980 3.484 2.843 3.952 . 0 0 "[ . 1 . 2]" 1
10 1 58 LEU H 1 65 GLN HA . . 5.500 4.794 4.206 5.136 . 0 0 "[ . 1 . 2]" 1
11 1 57 CYS HB3 1 58 LEU H . . 5.500 4.358 3.690 4.625 . 0 0 "[ . 1 . 2]" 1
12 1 58 LEU H 1 58 LEU HG . . 5.210 3.811 3.301 4.457 . 0 0 "[ . 1 . 2]" 1
13 1 34 TYR QD 1 43 VAL H . . 5.360 4.476 4.302 4.607 . 0 0 "[ . 1 . 2]" 1
14 1 35 THR HB 1 43 VAL H . . 5.500 3.657 3.398 4.004 . 0 0 "[ . 1 . 2]" 1
15 1 34 TYR HB3 1 43 VAL H . . 5.500 4.955 4.857 5.127 . 0 0 "[ . 1 . 2]" 1
16 1 42 ASP HB3 1 43 VAL H . . 5.500 4.396 3.922 4.580 . 0 0 "[ . 1 . 2]" 1
17 1 34 TYR HB2 1 43 VAL H . . 5.500 5.596 5.539 5.679 0.179 12 0 "[ . 1 . 2]" 1
18 1 42 ASP HB2 1 43 VAL H . . 5.500 4.124 3.650 4.486 . 0 0 "[ . 1 . 2]" 1
19 1 34 TYR QE 1 43 VAL H . . 5.500 5.369 5.191 5.474 . 0 0 "[ . 1 . 2]" 1
20 1 35 THR MG 1 43 VAL H . . 5.470 2.606 2.453 2.815 . 0 0 "[ . 1 . 2]" 1
21 1 83 GLU H 1 84 CYS QB . . 5.500 3.543 3.179 4.495 . 0 0 "[ . 1 . 2]" 1
22 1 83 GLU H 1 83 GLU HG3 . . 5.500 4.006 3.730 4.373 . 0 0 "[ . 1 . 2]" 1
23 1 81 THR MG 1 83 GLU H . . 5.500 4.866 4.168 5.430 . 0 0 "[ . 1 . 2]" 1
24 1 83 GLU H 1 102 PHE QD . . 5.500 4.844 2.417 5.545 0.045 2 0 "[ . 1 . 2]" 1
25 1 82 ASP HB3 1 83 GLU H . . 5.500 3.432 2.645 4.106 . 0 0 "[ . 1 . 2]" 1
26 1 83 GLU H 1 83 GLU HG2 . . 5.500 3.655 2.358 5.080 . 0 0 "[ . 1 . 2]" 1
27 1 81 THR MG 1 82 ASP H . . 5.360 2.730 1.824 3.834 . 0 0 "[ . 1 . 2]" 1
28 1 19 CYS H 1 20 ILE H . . 5.500 4.262 4.121 4.381 . 0 0 "[ . 1 . 2]" 1
29 1 19 CYS H 1 28 CYS HB2 . . 5.500 5.401 4.815 5.716 0.216 19 0 "[ . 1 . 2]" 1
30 1 19 CYS H 1 29 GLN QG . . 5.500 5.057 4.807 5.328 . 0 0 "[ . 1 . 2]" 1
31 1 18 LYS HB3 1 19 CYS H . . 4.630 3.919 3.619 4.232 . 0 0 "[ . 1 . 2]" 1
32 1 57 CYS H 1 58 LEU H . . 5.500 4.592 4.326 4.663 . 0 0 "[ . 1 . 2]" 1
33 1 55 ALA MB 1 57 CYS H . . 5.500 4.677 4.458 5.531 0.031 15 0 "[ . 1 . 2]" 1
34 1 95 CYS H 1 104 CYS HA . . 5.500 4.261 3.706 5.181 . 0 0 "[ . 1 . 2]" 1
35 1 84 CYS QB 1 95 CYS H . . 5.500 4.973 4.406 5.287 . 0 0 "[ . 1 . 2]" 1
36 1 94 ARG HB3 1 95 CYS H . . 5.350 3.816 2.985 4.400 . 0 0 "[ . 1 . 2]" 1
37 1 45 GLU H 1 64 PHE QD . . 5.180 4.831 4.266 5.239 0.059 3 0 "[ . 1 . 2]" 1
38 1 20 ILE H 1 21 ASN H . . 5.500 4.479 4.463 4.504 . 0 0 "[ . 1 . 2]" 1
39 1 21 ASN H 1 22 THR H . . 4.940 4.488 4.456 4.510 . 0 0 "[ . 1 . 2]" 1
40 1 41 ILE HB 1 42 ASP H . . 5.500 4.115 3.917 4.320 . 0 0 "[ . 1 . 2]" 1
41 1 41 ILE HG13 1 42 ASP H . . 5.500 4.243 3.372 5.183 . 0 0 "[ . 1 . 2]" 1
42 1 34 TYR QD 1 42 ASP H . . 5.500 3.713 3.297 4.097 . 0 0 "[ . 1 . 2]" 1
43 1 41 ILE HG12 1 42 ASP H . . 5.500 4.987 4.507 5.208 . 0 0 "[ . 1 . 2]" 1
44 1 35 THR MG 1 42 ASP H . . 5.500 3.354 3.244 3.550 . 0 0 "[ . 1 . 2]" 1
45 1 73 GLU H 1 81 THR H . . 5.500 3.878 3.055 4.806 . 0 0 "[ . 1 . 2]" 1
46 1 80 ASN HB3 1 81 THR H . . 5.500 4.257 3.502 4.589 . 0 0 "[ . 1 . 2]" 1
47 1 79 VAL QG 1 81 THR H . . 5.500 4.163 3.084 5.269 . 0 0 "[ . 1 . 2]" 1
48 1 58 LEU H 1 67 ILE H . . 5.500 5.208 4.493 5.541 0.041 20 0 "[ . 1 . 2]" 1
49 1 56 THR HA 1 67 ILE H . . 5.490 4.533 4.195 4.784 . 0 0 "[ . 1 . 2]" 1
50 1 66 CYS HB3 1 67 ILE H . . 5.340 4.274 3.834 4.575 . 0 0 "[ . 1 . 2]" 1
51 1 66 CYS HB2 1 67 ILE H . . 5.180 3.463 2.984 4.122 . 0 0 "[ . 1 . 2]" 1
52 1 58 LEU HG 1 67 ILE H . . 5.500 4.437 3.674 5.084 . 0 0 "[ . 1 . 2]" 1
53 1 67 ILE H 1 67 ILE QG . . 4.760 2.739 2.205 3.329 . 0 0 "[ . 1 . 2]" 1
54 1 67 ILE H 1 67 ILE MD . . 4.980 3.511 1.854 3.952 . 0 0 "[ . 1 . 2]" 1
55 1 79 VAL HB 1 80 ASN H . . 5.500 3.877 3.391 4.391 . 0 0 "[ . 1 . 2]" 1
56 1 79 VAL QG 1 80 ASN H . . 4.550 3.215 2.476 3.517 . 0 0 "[ . 1 . 2]" 1
57 1 98 LYS H 1 103 GLN QB . . 5.260 4.859 4.603 5.133 . 0 0 "[ . 1 . 2]" 1
58 1 60 GLN H 1 61 ILE H . . 4.740 4.376 4.270 4.438 . 0 0 "[ . 1 . 2]" 1
59 1 60 GLN H 1 63 GLU H . . 4.850 3.484 3.092 3.680 . 0 0 "[ . 1 . 2]" 1
60 1 60 GLN H 1 64 PHE HA . . 4.590 2.273 1.944 2.808 . 0 0 "[ . 1 . 2]" 1
61 1 59 ASP HB3 1 60 GLN H . . 4.830 4.361 4.026 4.529 . 0 0 "[ . 1 . 2]" 1
62 1 59 ASP HB2 1 60 GLN H . . 4.770 4.137 3.564 4.470 . 0 0 "[ . 1 . 2]" 1
63 1 60 GLN H 1 60 GLN QG . . 3.870 3.545 1.908 3.915 0.045 16 0 "[ . 1 . 2]" 1
64 1 60 GLN H 1 63 GLU HG3 . . 4.770 3.883 2.942 5.495 0.725 9 1 "[ . +1 . 2]" 1
65 1 60 GLN H 1 64 PHE HB2 . . 5.470 3.555 3.046 4.355 . 0 0 "[ . 1 . 2]" 1
66 1 98 LYS H 1 101 GLU HA . . 5.500 5.018 4.657 5.286 . 0 0 "[ . 1 . 2]" 1
67 1 98 LYS H 1 102 PHE HB2 . . 5.500 4.712 4.221 5.406 . 0 0 "[ . 1 . 2]" 1
68 1 98 LYS H 1 98 LYS HG2 . . 5.500 3.254 2.016 4.493 . 0 0 "[ . 1 . 2]" 1
69 1 98 LYS H 1 102 PHE QD . . 5.500 5.437 4.019 5.600 0.100 5 0 "[ . 1 . 2]" 1
70 1 10 ALA H 1 11 ASN HB2 . . 5.500 4.433 4.122 5.329 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU HB2 1 10 ALA H . . 4.960 3.480 2.564 3.914 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLU H 1 26 PHE QD . . 5.490 4.161 4.025 4.236 . 0 0 "[ . 1 . 2]" 1
73 1 5 GLU H 1 26 PHE HB3 . . 5.500 2.820 2.635 3.063 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLU H 1 5 GLU HG2 . . 5.190 3.797 3.684 3.948 . 0 0 "[ . 1 . 2]" 1
75 1 4 ASP HB3 1 5 GLU H . . 5.500 4.453 4.417 4.509 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLU H 1 5 GLU HG3 . . 5.200 2.589 2.292 2.811 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLU H 1 8 LEU QD . . 4.600 3.187 2.852 3.821 . 0 0 "[ . 1 . 2]" 1
78 1 3 VAL HA 1 5 GLU H . . 5.130 4.996 4.923 5.103 . 0 0 "[ . 1 . 2]" 1
79 1 3 VAL MG2 1 5 GLU H . . 5.500 4.410 4.090 4.613 . 0 0 "[ . 1 . 2]" 1
80 1 103 GLN H 1 105 GLU H . . 5.500 5.232 4.794 5.530 0.030 12 0 "[ . 1 . 2]" 1
81 1 104 CYS HB2 1 105 GLU H . . 5.500 4.624 4.497 4.719 . 0 0 "[ . 1 . 2]" 1
82 1 96 LEU HB2 1 105 GLU H . . 5.500 3.631 2.952 4.280 . 0 0 "[ . 1 . 2]" 1
83 1 96 LEU QD 1 105 GLU H . . 5.500 3.489 2.962 4.026 . 0 0 "[ . 1 . 2]" 1
84 1 105 GLU H 1 106 CYS H . . 5.500 4.484 4.129 4.666 . 0 0 "[ . 1 . 2]" 1
85 1 105 GLU HG3 1 106 CYS H . . 5.440 3.651 2.451 4.783 . 0 0 "[ . 1 . 2]" 1
86 1 105 GLU HG2 1 106 CYS H . . 4.790 4.435 3.549 5.413 0.623 17 1 "[ . 1 . + 2]" 1
87 1 4 ASP H 1 5 GLU H . . 5.490 3.898 3.858 3.964 . 0 0 "[ . 1 . 2]" 1
88 1 4 ASP H 1 8 LEU QD . . 4.160 3.290 2.952 3.772 . 0 0 "[ . 1 . 2]" 1
89 1 4 ASP H 1 7 SER HB2 . . 5.500 4.979 4.460 5.511 0.011 20 0 "[ . 1 . 2]" 1
90 1 4 ASP H 1 7 SER HB3 . . 5.500 4.262 3.828 5.096 . 0 0 "[ . 1 . 2]" 1
91 1 4 ASP H 1 5 GLU HA . . 5.500 4.821 4.769 4.892 . 0 0 "[ . 1 . 2]" 1
92 1 3 VAL HB 1 4 ASP H . . 4.960 4.209 4.070 4.323 . 0 0 "[ . 1 . 2]" 1
93 1 58 LEU H 1 59 ASP H . . 5.500 3.578 3.259 4.018 . 0 0 "[ . 1 . 2]" 1
94 1 58 LEU HB2 1 59 ASP H . . 5.500 4.657 4.559 4.719 . 0 0 "[ . 1 . 2]" 1
95 1 58 LEU HB3 1 59 ASP H . . 5.410 4.153 3.874 4.351 . 0 0 "[ . 1 . 2]" 1
96 1 8 LEU H 1 10 ALA H . . 5.500 3.749 3.501 4.377 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLY HA2 1 10 ALA H . . 3.460 3.086 2.916 3.472 0.012 8 0 "[ . 1 . 2]" 1
98 1 9 GLY HA3 1 10 ALA H . . 3.580 3.536 3.216 3.610 0.030 11 0 "[ . 1 . 2]" 1
99 1 3 VAL H 1 5 GLU H . . 5.500 4.934 4.407 5.215 . 0 0 "[ . 1 . 2]" 1
100 1 83 GLU H 1 85 ALA H . . 5.500 4.295 3.845 4.862 . 0 0 "[ . 1 . 2]" 1
101 1 84 CYS H 1 85 ALA H . . 4.800 2.504 1.907 3.295 . 0 0 "[ . 1 . 2]" 1
102 1 84 CYS QB 1 85 ALA H . . 5.460 3.796 2.981 4.122 . 0 0 "[ . 1 . 2]" 1
103 1 82 ASP HB3 1 85 ALA H . . 5.500 4.541 3.574 5.995 0.495 3 0 "[ . 1 . 2]" 1
104 1 29 GLN H 1 30 CYS H . . 5.170 4.625 4.610 4.654 . 0 0 "[ . 1 . 2]" 1
105 1 30 CYS H 1 31 LEU HA . . 5.500 5.181 5.070 5.240 . 0 0 "[ . 1 . 2]" 1
106 1 29 GLN QG 1 30 CYS H . . 4.840 4.221 4.040 4.378 . 0 0 "[ . 1 . 2]" 1
107 1 29 GLN HB2 1 30 CYS H . . 4.710 3.643 3.387 4.031 . 0 0 "[ . 1 . 2]" 1
108 1 29 GLN HB3 1 30 CYS H . . 5.380 2.730 2.575 2.967 . 0 0 "[ . 1 . 2]" 1
109 1 78 GLU QB 1 79 VAL H . . 5.310 3.724 3.415 4.108 . 0 0 "[ . 1 . 2]" 1
110 1 78 GLU H 1 79 VAL H . . 4.790 2.100 1.836 2.674 . 0 0 "[ . 1 . 2]" 1
111 1 75 VAL H 1 79 VAL H . . 5.500 5.542 5.416 5.597 0.097 8 0 "[ . 1 . 2]" 1
112 1 79 VAL H 1 80 ASN H . . 5.500 4.418 4.179 4.533 . 0 0 "[ . 1 . 2]" 1
113 1 74 GLY H 1 79 VAL H . . 5.500 5.087 4.108 5.465 . 0 0 "[ . 1 . 2]" 1
114 1 77 CYS H 1 79 VAL H . . 5.500 3.996 3.616 4.319 . 0 0 "[ . 1 . 2]" 1
115 1 74 GLY HA2 1 79 VAL H . . 5.490 5.109 4.777 5.458 . 0 0 "[ . 1 . 2]" 1
116 1 74 GLY HA3 1 79 VAL H . . 5.430 3.523 3.282 3.922 . 0 0 "[ . 1 . 2]" 1
117 1 77 CYS QB 1 79 VAL H . . 5.500 4.775 4.369 4.942 . 0 0 "[ . 1 . 2]" 1
118 1 78 GLU HG3 1 79 VAL H . . 5.500 4.171 2.907 5.694 0.194 9 0 "[ . 1 . 2]" 1
119 1 73 GLU HB3 1 79 VAL H . . 5.330 5.125 4.698 5.421 0.091 19 0 "[ . 1 . 2]" 1
120 1 79 VAL H 1 79 VAL QG . . 3.960 1.961 1.829 2.674 . 0 0 "[ . 1 . 2]" 1
121 1 20 ILE H 1 29 GLN H . . 5.220 4.178 3.887 4.406 . 0 0 "[ . 1 . 2]" 1
122 1 19 CYS HA 1 29 GLN H . . 5.020 3.550 3.342 3.856 . 0 0 "[ . 1 . 2]" 1
123 1 18 LYS HA 1 29 GLN H . . 5.500 4.301 4.103 4.427 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLY HA3 1 29 GLN H . . 5.500 5.264 4.910 5.479 . 0 0 "[ . 1 . 2]" 1
125 1 28 CYS HB2 1 29 GLN H . . 4.980 4.247 3.973 4.444 . 0 0 "[ . 1 . 2]" 1
126 1 28 CYS HB3 1 29 GLN H . . 4.860 4.309 4.142 4.431 . 0 0 "[ . 1 . 2]" 1
127 1 29 GLN H 1 29 GLN QG . . 4.260 2.118 1.962 2.287 . 0 0 "[ . 1 . 2]" 1
128 1 18 LYS HB3 1 29 GLN H . . 4.660 2.503 2.165 2.796 . 0 0 "[ . 1 . 2]" 1
129 1 20 ILE HG13 1 29 GLN H . . 5.390 4.352 3.492 4.799 . 0 0 "[ . 1 . 2]" 1
130 1 18 LYS HG3 1 29 GLN H . . 5.500 4.848 4.406 5.518 0.018 6 0 "[ . 1 . 2]" 1
131 1 20 ILE HG12 1 29 GLN H . . 5.500 3.742 3.418 4.067 . 0 0 "[ . 1 . 2]" 1
132 1 20 ILE MD 1 29 GLN H . . 5.090 2.497 1.928 3.664 . 0 0 "[ . 1 . 2]" 1
133 1 89 CYS QB 1 90 LEU H . . 5.500 3.585 2.108 4.069 . 0 0 "[ . 1 . 2]" 1
134 1 43 VAL H 1 44 ASN H . . 5.500 4.557 4.536 4.576 . 0 0 "[ . 1 . 2]" 1
135 1 44 ASN H 1 44 ASN HD21 . . 5.500 4.805 4.331 4.896 . 0 0 "[ . 1 . 2]" 1
136 1 88 PRO HG2 1 90 LEU H . . 5.500 4.067 2.916 5.554 0.054 2 0 "[ . 1 . 2]" 1
137 1 43 VAL QG 1 44 ASN H . . 4.050 1.838 1.708 2.033 . 0 0 "[ . 1 . 2]" 1
138 1 67 ILE H 1 68 CYS H . . 5.450 4.492 4.321 4.651 . 0 0 "[ . 1 . 2]" 1
139 1 56 THR H 1 68 CYS H . . 5.500 5.165 4.615 5.539 0.039 3 0 "[ . 1 . 2]" 1
140 1 67 ILE HB 1 68 CYS H . . 5.180 4.339 3.675 4.643 . 0 0 "[ . 1 . 2]" 1
141 1 67 ILE QG 1 68 CYS H . . 5.210 4.500 3.679 4.795 . 0 0 "[ . 1 . 2]" 1
142 1 67 ILE MD 1 68 CYS H . . 4.460 3.273 2.561 4.800 0.340 20 0 "[ . 1 . 2]" 1
143 1 75 VAL H 1 77 CYS HA . . 5.500 5.213 4.960 5.489 . 0 0 "[ . 1 . 2]" 1
144 1 75 VAL H 1 79 VAL QG . . 3.940 3.390 3.056 3.654 . 0 0 "[ . 1 . 2]" 1
145 1 40 GLU H 1 41 ILE H . . 4.590 1.797 1.689 1.879 . 0 0 "[ . 1 . 2]" 1
146 1 35 THR H 1 41 ILE H . . 5.170 3.482 3.304 3.669 . 0 0 "[ . 1 . 2]" 1
147 1 41 ILE H 1 42 ASP H . . 5.320 4.458 4.405 4.541 . 0 0 "[ . 1 . 2]" 1
148 1 39 CYS H 1 41 ILE H . . 5.350 3.988 3.711 4.207 . 0 0 "[ . 1 . 2]" 1
149 1 34 TYR QD 1 41 ILE H . . 5.500 3.048 2.824 3.318 . 0 0 "[ . 1 . 2]" 1
150 1 41 ILE H 1 42 ASP HA . . 5.500 4.756 4.672 4.949 . 0 0 "[ . 1 . 2]" 1
151 1 36 GLY HA3 1 41 ILE H . . 5.500 2.312 2.075 2.503 . 0 0 "[ . 1 . 2]" 1
152 1 34 TYR HB3 1 41 ILE H . . 5.500 3.152 2.904 3.652 . 0 0 "[ . 1 . 2]" 1
153 1 34 TYR HB2 1 41 ILE H . . 5.500 4.843 4.570 5.368 . 0 0 "[ . 1 . 2]" 1
154 1 40 GLU QG 1 41 ILE H . . 5.130 3.877 3.333 4.348 . 0 0 "[ . 1 . 2]" 1
155 1 40 GLU HB3 1 41 ILE H . . 5.060 4.694 4.581 4.744 . 0 0 "[ . 1 . 2]" 1
156 1 41 ILE H 1 41 ILE HG13 . . 4.810 4.225 3.978 4.379 . 0 0 "[ . 1 . 2]" 1
157 1 35 THR MG 1 41 ILE H . . 4.680 3.333 3.240 3.560 . 0 0 "[ . 1 . 2]" 1
158 1 41 ILE H 1 41 ILE MG . . 4.320 3.706 3.435 3.870 . 0 0 "[ . 1 . 2]" 1
159 1 22 THR H 1 23 LEU H . . 5.500 4.472 4.447 4.494 . 0 0 "[ . 1 . 2]" 1
160 1 3 VAL H 1 24 GLY H . . 5.490 4.559 4.242 4.695 . 0 0 "[ . 1 . 2]" 1
161 1 2 ASP HA 1 3 VAL H . . 3.240 2.622 2.261 2.759 . 0 0 "[ . 1 . 2]" 1
162 1 3 VAL H 1 23 LEU HA . . 5.300 5.338 5.077 5.448 0.148 14 0 "[ . 1 . 2]" 1
163 1 2 ASP HB2 1 3 VAL H . . 4.310 3.838 3.732 4.216 . 0 0 "[ . 1 . 2]" 1
164 1 2 ASP HB3 1 3 VAL H . . 4.320 3.303 2.864 4.399 0.079 18 0 "[ . 1 . 2]" 1
165 1 3 VAL H 1 3 VAL HB . . 3.680 2.372 2.196 2.853 . 0 0 "[ . 1 . 2]" 1
166 1 3 VAL H 1 3 VAL MG2 . . 3.480 3.713 3.624 3.905 0.425 17 0 "[ . 1 . 2]" 1
167 1 3 VAL H 1 3 VAL MG1 . . 4.020 2.487 2.304 2.648 . 0 0 "[ . 1 . 2]" 1
168 1 3 VAL H 1 4 ASP H . . 5.170 4.589 4.474 4.620 . 0 0 "[ . 1 . 2]" 1
169 1 3 VAL H 1 4 ASP HA . . 5.500 5.160 4.871 5.255 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU H 1 32 GLN HB2 . . 5.500 4.953 4.617 5.391 . 0 0 "[ . 1 . 2]" 1
171 1 16 ALA MB 1 31 LEU H . . 5.500 5.121 4.316 5.650 0.150 15 0 "[ . 1 . 2]" 1
172 1 30 CYS H 1 31 LEU H . . 5.500 4.590 4.549 4.617 . 0 0 "[ . 1 . 2]" 1
173 1 31 LEU H 1 34 TYR H . . 5.500 3.539 3.171 3.893 . 0 0 "[ . 1 . 2]" 1
174 1 31 LEU H 1 34 TYR QD . . 5.500 3.141 2.848 3.610 . 0 0 "[ . 1 . 2]" 1
175 1 30 CYS HB2 1 31 LEU H . . 4.890 3.375 2.256 4.156 . 0 0 "[ . 1 . 2]" 1
176 1 31 LEU H 1 34 TYR HB2 . . 4.970 2.105 1.914 2.411 . 0 0 "[ . 1 . 2]" 1
177 1 31 LEU H 1 31 LEU HG . . 4.520 4.535 3.922 4.848 0.328 6 0 "[ . 1 . 2]" 1
178 1 31 LEU H 1 32 GLN H . . 5.500 4.235 3.988 4.462 . 0 0 "[ . 1 . 2]" 1
179 1 31 LEU H 1 34 TYR HB3 . . 5.500 3.371 2.970 3.906 . 0 0 "[ . 1 . 2]" 1
180 1 61 ILE H 1 63 GLU H . . 5.250 4.074 3.826 4.428 . 0 0 "[ . 1 . 2]" 1
181 1 60 GLN HE21 1 61 ILE H . . 5.500 5.483 5.090 5.610 0.110 12 0 "[ . 1 . 2]" 1
182 1 11 ASN H 1 12 PRO HD2 . . 5.500 4.871 4.837 5.009 . 0 0 "[ . 1 . 2]" 1
183 1 60 GLN QG 1 61 ILE H . . 4.110 3.066 2.650 3.729 . 0 0 "[ . 1 . 2]" 1
184 1 60 GLN HB2 1 61 ILE H . . 4.610 3.325 1.796 3.719 . 0 0 "[ . 1 . 2]" 1
185 1 47 VAL H 1 50 PRO HD3 . . 5.500 4.804 4.603 4.999 . 0 0 "[ . 1 . 2]" 1
186 1 47 VAL H 1 50 PRO HB3 . . 5.500 5.518 5.356 5.702 0.202 19 0 "[ . 1 . 2]" 1
187 1 58 LEU HB2 1 66 CYS H . . 5.500 4.957 4.062 5.311 . 0 0 "[ . 1 . 2]" 1
188 1 65 GLN HB2 1 66 CYS H . . 4.570 3.283 2.843 3.968 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASN H 1 12 PRO HA . . 5.500 4.831 4.717 5.257 . 0 0 "[ . 1 . 2]" 1
190 1 11 ASN H 1 11 ASN HD21 . . 5.500 4.577 4.028 4.817 . 0 0 "[ . 1 . 2]" 1
191 1 11 ASN H 1 12 PRO HD3 . . 5.450 4.068 3.999 4.374 . 0 0 "[ . 1 . 2]" 1
192 1 64 PHE QD 1 66 CYS H . . 5.240 4.243 3.786 4.677 . 0 0 "[ . 1 . 2]" 1
193 1 65 GLN QG 1 66 CYS H . . 4.940 3.527 2.545 4.081 . 0 0 "[ . 1 . 2]" 1
194 1 66 CYS H 1 67 ILE MD . . 5.500 4.555 3.789 5.653 0.153 20 0 "[ . 1 . 2]" 1
195 1 66 CYS H 1 67 ILE H . . 5.500 4.214 3.406 4.469 . 0 0 "[ . 1 . 2]" 1
196 1 94 ARG H 1 95 CYS HA . . 5.500 4.753 4.597 4.962 . 0 0 "[ . 1 . 2]" 1
197 1 94 ARG H 1 95 CYS H . . 5.500 4.321 4.147 4.439 . 0 0 "[ . 1 . 2]" 1
198 1 52 GLN H 1 76 HIS HA . . 5.500 4.863 3.893 5.512 0.012 8 0 "[ . 1 . 2]" 1
199 1 5 GLU H 1 8 LEU H . . 5.500 4.726 4.555 5.054 . 0 0 "[ . 1 . 2]" 1
200 1 12 PRO HG2 1 14 GLU H . . 5.500 5.253 4.880 5.722 0.222 20 0 "[ . 1 . 2]" 1
201 1 2 ASP H 1 3 VAL HA . . 5.500 4.735 4.377 4.924 . 0 0 "[ . 1 . 2]" 1
202 1 2 ASP H 1 24 GLY H . . 5.500 5.449 5.000 5.560 0.060 20 0 "[ . 1 . 2]" 1
203 1 2 ASP H 1 3 VAL H . . 4.630 4.342 4.042 4.432 . 0 0 "[ . 1 . 2]" 1
204 1 1 GLN HA 1 2 ASP H . . 3.210 2.472 2.202 2.880 . 0 0 "[ . 1 . 2]" 1
205 1 2 ASP H 1 2 ASP HB2 . . 3.610 3.106 2.809 3.572 . 0 0 "[ . 1 . 2]" 1
206 1 2 ASP H 1 2 ASP HB3 . . 3.530 2.829 2.596 3.059 . 0 0 "[ . 1 . 2]" 1
207 1 1 GLN QB 1 2 ASP H . . 4.300 2.765 1.945 3.625 . 0 0 "[ . 1 . 2]" 1
208 1 2 ASP H 1 23 LEU MD2 . . 4.390 3.702 3.036 4.349 . 0 0 "[ . 1 . 2]" 1
209 1 8 LEU H 1 9 GLY HA2 . . 4.920 5.026 4.927 5.175 0.255 6 0 "[ . 1 . 2]" 1
210 1 7 SER HB2 1 8 LEU H . . 4.660 4.025 3.766 4.167 . 0 0 "[ . 1 . 2]" 1
211 1 7 SER HB3 1 8 LEU H . . 4.430 3.152 2.874 3.490 . 0 0 "[ . 1 . 2]" 1
212 1 5 GLU HA 1 8 LEU H . . 4.570 3.001 2.786 3.324 . 0 0 "[ . 1 . 2]" 1
213 1 4 ASP HB2 1 8 LEU H . . 5.500 5.613 5.503 5.868 0.368 9 0 "[ . 1 . 2]" 1
214 1 4 ASP HB3 1 8 LEU H . . 5.500 3.992 3.887 4.221 . 0 0 "[ . 1 . 2]" 1
215 1 5 GLU HG3 1 8 LEU H . . 5.500 5.225 4.991 5.637 0.137 6 0 "[ . 1 . 2]" 1
216 1 8 LEU H 1 8 LEU HG . . 3.380 2.719 1.934 3.087 . 0 0 "[ . 1 . 2]" 1
217 1 8 LEU H 1 10 ALA MB . . 5.500 4.742 4.575 5.351 . 0 0 "[ . 1 . 2]" 1
218 1 3 VAL MG2 1 8 LEU H . . 5.500 5.092 4.780 5.423 . 0 0 "[ . 1 . 2]" 1
219 1 8 LEU H 1 8 LEU QD . . 3.520 2.766 1.862 3.154 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLU H 1 15 HIS H . . 5.170 4.004 2.861 4.422 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLU H 1 15 HIS HD2 . . 5.500 5.271 4.214 5.640 0.140 3 0 "[ . 1 . 2]" 1
222 1 14 GLU H 1 41 ILE HA . . 5.490 5.489 4.183 5.794 0.304 13 0 "[ . 1 . 2]" 1
223 1 13 CYS HB2 1 14 GLU H . . 5.080 3.384 3.118 4.473 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLU H 1 14 GLU QG . . 4.400 2.835 2.265 3.379 . 0 0 "[ . 1 . 2]" 1
225 1 12 PRO HB2 1 14 GLU H . . 5.500 4.708 4.499 4.827 . 0 0 "[ . 1 . 2]" 1
226 1 18 LYS H 1 29 GLN H . . 5.100 3.107 2.565 3.370 . 0 0 "[ . 1 . 2]" 1
227 1 18 LYS H 1 30 CYS H . . 5.500 4.909 4.645 5.128 . 0 0 "[ . 1 . 2]" 1
228 1 18 LYS H 1 19 CYS H . . 4.830 4.464 4.208 4.579 . 0 0 "[ . 1 . 2]" 1
229 1 18 LYS H 1 31 LEU H . . 5.500 5.372 4.971 5.614 0.114 10 0 "[ . 1 . 2]" 1
230 1 18 LYS H 1 28 CYS HA . . 5.340 4.735 4.285 5.064 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS H 1 19 CYS HA . . 5.500 4.959 4.694 5.203 . 0 0 "[ . 1 . 2]" 1
232 1 18 LYS H 1 19 CYS QB . . 5.500 5.269 5.094 5.449 . 0 0 "[ . 1 . 2]" 1
233 1 13 CYS HB2 1 18 LYS H . . 5.250 4.809 3.748 5.334 0.084 15 0 "[ . 1 . 2]" 1
234 1 13 CYS HB3 1 18 LYS H . . 4.950 3.943 3.223 4.276 . 0 0 "[ . 1 . 2]" 1
235 1 18 LYS H 1 29 GLN QG . . 4.780 4.091 3.842 4.364 . 0 0 "[ . 1 . 2]" 1
236 1 18 LYS H 1 29 GLN HB2 . . 4.770 2.777 2.393 3.132 . 0 0 "[ . 1 . 2]" 1
237 1 18 LYS H 1 18 LYS HB3 . . 3.820 2.890 2.684 3.076 . 0 0 "[ . 1 . 2]" 1
238 1 18 LYS H 1 18 LYS QD . . 4.780 4.375 4.130 4.742 . 0 0 "[ . 1 . 2]" 1
239 1 18 LYS H 1 18 LYS HG2 . . 4.670 4.460 3.994 4.816 0.146 14 0 "[ . 1 . 2]" 1
240 1 18 LYS H 1 18 LYS HG3 . . 5.020 4.540 4.434 4.831 . 0 0 "[ . 1 . 2]" 1
241 1 18 LYS H 1 31 LEU QD . . 4.890 3.725 3.109 4.740 . 0 0 "[ . 1 . 2]" 1
242 1 18 LYS H 1 20 ILE MD . . 5.440 4.326 3.991 5.398 . 0 0 "[ . 1 . 2]" 1
243 1 36 GLY HA3 1 40 GLU H . . 5.500 2.014 1.863 2.172 . 0 0 "[ . 1 . 2]" 1
244 1 12 PRO HB2 1 40 GLU H . . 5.330 4.434 4.195 4.758 . 0 0 "[ . 1 . 2]" 1
245 1 40 GLU H 1 41 ILE HB . . 5.500 3.476 3.202 3.728 . 0 0 "[ . 1 . 2]" 1
246 1 38 ARG HB2 1 40 GLU H . . 5.500 4.583 4.158 4.986 . 0 0 "[ . 1 . 2]" 1
247 1 40 GLU H 1 41 ILE MD . . 5.500 2.740 2.120 3.912 . 0 0 "[ . 1 . 2]" 1
248 1 40 GLU H 1 41 ILE MG . . 5.500 4.811 4.509 4.936 . 0 0 "[ . 1 . 2]" 1
249 1 55 ALA HA 1 69 MET H . . 5.500 4.826 4.296 5.482 . 0 0 "[ . 1 . 2]" 1
250 1 69 MET H 1 72 TYR HB2 . . 5.500 3.973 3.362 4.404 . 0 0 "[ . 1 . 2]" 1
251 1 68 CYS QB 1 69 MET H . . 5.480 2.570 1.948 3.610 . 0 0 "[ . 1 . 2]" 1
252 1 103 GLN HG3 1 104 CYS H . . 5.500 4.071 2.773 5.326 . 0 0 "[ . 1 . 2]" 1
253 1 69 MET H 1 72 TYR QD . . 5.500 5.022 3.556 5.561 0.061 7 0 "[ . 1 . 2]" 1
254 1 69 MET H 1 70 PRO HD3 . . 5.500 4.759 4.729 4.785 . 0 0 "[ . 1 . 2]" 1
255 1 54 ASP QB 1 69 MET H . . 5.230 4.906 4.085 5.136 . 0 0 "[ . 1 . 2]" 1
256 1 55 ALA MB 1 69 MET H . . 5.380 4.678 4.036 5.344 . 0 0 "[ . 1 . 2]" 1
257 1 103 GLN QB 1 104 CYS H . . 5.500 3.761 3.091 3.984 . 0 0 "[ . 1 . 2]" 1
258 1 26 PHE QD 1 27 GLU H . . 4.630 3.532 2.914 4.133 . 0 0 "[ . 1 . 2]" 1
259 1 19 CYS HA 1 27 GLU H . . 5.500 5.348 5.045 5.638 0.138 9 0 "[ . 1 . 2]" 1
260 1 21 ASN HA 1 27 GLU H . . 4.860 2.965 2.809 3.102 . 0 0 "[ . 1 . 2]" 1
261 1 20 ILE HA 1 27 GLU H . . 5.500 4.843 4.720 5.006 . 0 0 "[ . 1 . 2]" 1
262 1 26 PHE HB2 1 27 GLU H . . 4.970 2.891 2.650 3.191 . 0 0 "[ . 1 . 2]" 1
263 1 26 PHE HB3 1 27 GLU H . . 4.820 4.077 3.911 4.267 . 0 0 "[ . 1 . 2]" 1
264 1 27 GLU H 1 27 GLU HG3 . . 4.960 4.399 4.376 4.445 . 0 0 "[ . 1 . 2]" 1
265 1 20 ILE HG13 1 27 GLU H . . 5.500 5.107 4.429 5.297 . 0 0 "[ . 1 . 2]" 1
266 1 22 THR MG 1 27 GLU H . . 4.870 3.277 2.919 3.593 . 0 0 "[ . 1 . 2]" 1
267 1 21 ASN HB2 1 27 GLU H . . 5.500 5.308 5.159 5.412 . 0 0 "[ . 1 . 2]" 1
268 1 20 ILE MG 1 27 GLU H . . 5.400 5.108 5.017 5.205 . 0 0 "[ . 1 . 2]" 1
269 1 96 LEU H 1 102 PHE QD . . 5.140 4.207 2.827 5.156 0.016 13 0 "[ . 1 . 2]" 1
270 1 96 LEU H 1 96 LEU HG . . 5.500 4.286 3.083 4.651 . 0 0 "[ . 1 . 2]" 1
271 1 96 LEU H 1 103 GLN QB . . 5.010 3.665 2.937 4.342 . 0 0 "[ . 1 . 2]" 1
272 1 96 LEU H 1 98 LYS H . . 5.500 5.501 5.310 5.571 0.071 17 0 "[ . 1 . 2]" 1
273 1 96 LEU H 1 102 PHE HB2 . . 5.420 4.221 3.665 6.016 0.596 6 1 "[ .+ 1 . 2]" 1
274 1 96 LEU H 1 105 GLU QB . . 5.500 4.997 4.545 5.356 . 0 0 "[ . 1 . 2]" 1
275 1 1 GLN H1 1 1 GLN QB . . 3.670 2.846 2.386 3.345 . 0 0 "[ . 1 . 2]" 1
276 1 1 GLN H1 1 23 LEU MD2 . . 5.500 3.361 1.747 4.829 . 0 0 "[ . 1 . 2]" 1
277 1 1 GLN H1 1 2 ASP HB2 . . 5.500 5.159 3.943 5.524 0.024 15 0 "[ . 1 . 2]" 1
278 1 1 GLN H1 1 1 GLN HG2 . . 4.360 4.083 2.162 4.996 0.636 1 3 "[+ . 1- *. 2]" 1
279 1 99 ILE H 1 100 ASN H . . 4.760 3.656 2.458 4.410 . 0 0 "[ . 1 . 2]" 1
280 1 98 LYS HA 1 100 ASN H . . 5.500 4.658 4.057 5.534 0.034 7 0 "[ . 1 . 2]" 1
281 1 109 GLY H 1 110 PHE H . . 4.920 2.363 1.863 3.205 . 0 0 "[ . 1 . 2]" 1
282 1 110 PHE H 1 110 PHE QD . . 4.660 2.520 1.909 3.777 . 0 0 "[ . 1 . 2]" 1
283 1 107 PRO HB2 1 110 PHE H . . 5.500 3.476 2.751 4.194 . 0 0 "[ . 1 . 2]" 1
284 1 107 PRO HB3 1 110 PHE H . . 5.500 4.815 3.769 5.522 0.022 4 0 "[ . 1 . 2]" 1
285 1 108 THR MG 1 110 PHE H . . 5.450 4.827 3.973 5.455 0.005 8 0 "[ . 1 . 2]" 1
286 1 110 PHE H 1 111 THR MG . . 5.500 4.393 3.635 5.199 . 0 0 "[ . 1 . 2]" 1
287 1 32 GLN H 1 33 GLY H . . 4.730 4.288 4.224 4.370 . 0 0 "[ . 1 . 2]" 1
288 1 32 GLN H 1 34 TYR QD . . 5.500 5.244 5.032 5.563 0.063 5 0 "[ . 1 . 2]" 1
289 1 32 GLN H 1 62 GLY HA3 . . 5.500 5.194 4.775 5.633 0.133 18 0 "[ . 1 . 2]" 1
290 1 32 GLN H 1 33 GLY HA2 . . 5.500 5.417 5.282 5.599 0.099 4 0 "[ . 1 . 2]" 1
291 1 32 GLN H 1 32 GLN HB2 . . 3.800 3.336 3.089 3.498 . 0 0 "[ . 1 . 2]" 1
292 1 31 LEU HB2 1 32 GLN H . . 4.220 4.109 2.751 4.698 0.478 8 0 "[ . 1 . 2]" 1
293 1 13 CYS H 1 19 CYS QB . . 4.800 4.351 3.801 4.789 . 0 0 "[ . 1 . 2]" 1
294 1 13 CYS H 1 28 CYS HB3 . . 4.840 4.023 3.702 4.656 . 0 0 "[ . 1 . 2]" 1
295 1 13 CYS H 1 40 GLU QG . . 5.500 4.476 4.206 5.139 . 0 0 "[ . 1 . 2]" 1
296 1 13 CYS H 1 41 ILE MD . . 5.500 4.458 4.122 4.805 . 0 0 "[ . 1 . 2]" 1
297 1 61 ILE HB 1 62 GLY H . . 5.500 3.634 3.471 3.774 . 0 0 "[ . 1 . 2]" 1
298 1 26 PHE H 1 27 GLU H . . 4.890 4.565 4.527 4.587 . 0 0 "[ . 1 . 2]" 1
299 1 22 THR H 1 26 PHE H . . 5.000 4.473 4.430 4.515 . 0 0 "[ . 1 . 2]" 1
300 1 26 PHE H 1 26 PHE QE . . 5.000 3.975 3.585 4.331 . 0 0 "[ . 1 . 2]" 1
301 1 26 PHE H 1 26 PHE QD . . 3.810 2.340 1.924 2.865 . 0 0 "[ . 1 . 2]" 1
302 1 21 ASN HA 1 26 PHE H . . 5.710 5.483 5.366 5.601 . 0 0 "[ . 1 . 2]" 1
303 1 22 THR HB 1 26 PHE H . . 5.430 5.105 5.045 5.218 . 0 0 "[ . 1 . 2]" 1
304 1 25 SER QB 1 26 PHE H . . 3.820 2.546 2.213 3.235 . 0 0 "[ . 1 . 2]" 1
305 1 5 GLU HG2 1 26 PHE H . . 5.500 5.344 5.142 5.559 0.059 6 0 "[ . 1 . 2]" 1
306 1 5 GLU HG3 1 26 PHE H . . 5.730 5.850 5.654 6.046 0.316 5 0 "[ . 1 . 2]" 1
307 1 5 GLU HB2 1 26 PHE H . . 5.500 3.573 3.373 3.805 . 0 0 "[ . 1 . 2]" 1
308 1 22 THR MG 1 26 PHE H . . 5.440 5.521 5.478 5.549 0.109 14 0 "[ . 1 . 2]" 1
309 1 13 CYS H 1 14 GLU H . . 4.910 2.830 2.593 3.627 . 0 0 "[ . 1 . 2]" 1
310 1 11 ASN HD21 1 13 CYS H . . 4.790 3.044 1.970 4.231 . 0 0 "[ . 1 . 2]" 1
311 1 11 ASN HD22 1 13 CYS H . . 4.950 3.224 2.236 3.829 . 0 0 "[ . 1 . 2]" 1
312 1 13 CYS H 1 28 CYS HA . . 5.500 5.638 5.522 5.900 0.400 8 0 "[ . 1 . 2]" 1
313 1 13 CYS H 1 19 CYS HA . . 5.500 5.166 4.785 5.456 . 0 0 "[ . 1 . 2]" 1
314 1 11 ASN HA 1 13 CYS H . . 4.350 3.776 3.542 4.147 . 0 0 "[ . 1 . 2]" 1
315 1 13 CYS H 1 41 ILE HA . . 5.500 5.596 5.179 5.718 0.218 19 0 "[ . 1 . 2]" 1
316 1 12 PRO HD3 1 13 CYS H . . 4.210 3.678 3.655 3.743 . 0 0 "[ . 1 . 2]" 1
317 1 12 PRO HD2 1 13 CYS H . . 4.270 2.270 2.254 2.345 . 0 0 "[ . 1 . 2]" 1
318 1 13 CYS H 1 17 GLY HA3 . . 4.890 5.089 4.937 5.315 0.425 8 0 "[ . 1 . 2]" 1
319 1 13 CYS H 1 13 CYS HB2 . . 3.900 2.713 2.329 3.286 . 0 0 "[ . 1 . 2]" 1
320 1 13 CYS H 1 13 CYS HB3 . . 4.140 3.508 3.267 3.563 . 0 0 "[ . 1 . 2]" 1
321 1 13 CYS H 1 40 GLU HB2 . . 5.310 2.934 2.640 3.363 . 0 0 "[ . 1 . 2]" 1
322 1 12 PRO HB2 1 13 CYS H . . 4.720 3.266 2.984 3.513 . 0 0 "[ . 1 . 2]" 1
323 1 12 PRO HB3 1 13 CYS H . . 4.700 4.201 4.042 4.339 . 0 0 "[ . 1 . 2]" 1
324 1 12 PRO HG3 1 13 CYS H . . 4.340 4.061 3.889 4.240 . 0 0 "[ . 1 . 2]" 1
325 1 12 PRO HG2 1 13 CYS H . . 4.480 2.805 2.529 3.087 . 0 0 "[ . 1 . 2]" 1
326 1 61 ILE MD 1 62 GLY H . . 5.090 4.137 4.094 4.162 . 0 0 "[ . 1 . 2]" 1
327 1 58 LEU H 1 65 GLN H . . 5.100 2.888 2.110 3.295 . 0 0 "[ . 1 . 2]" 1
328 1 60 GLN HE22 1 65 GLN H . . 5.310 3.530 3.016 4.531 . 0 0 "[ . 1 . 2]" 1
329 1 64 PHE QD 1 65 GLN H . . 4.460 2.652 2.118 3.456 . 0 0 "[ . 1 . 2]" 1
330 1 57 CYS HA 1 65 GLN H . . 5.210 4.792 4.053 5.257 0.047 14 0 "[ . 1 . 2]" 1
331 1 64 PHE HB2 1 65 GLN H . . 4.790 3.013 2.646 3.338 . 0 0 "[ . 1 . 2]" 1
332 1 64 PHE HB3 1 65 GLN H . . 4.790 4.197 3.983 4.393 . 0 0 "[ . 1 . 2]" 1
333 1 58 LEU HB3 1 65 GLN H . . 5.330 3.725 3.084 4.360 . 0 0 "[ . 1 . 2]" 1
334 1 58 LEU MD1 1 65 GLN H . . 5.100 4.932 4.587 5.236 0.136 5 0 "[ . 1 . 2]" 1
335 1 60 GLN H 1 65 GLN H . . 5.330 4.281 3.829 4.939 . 0 0 "[ . 1 . 2]" 1
336 1 49 ASN HA 1 51 CYS H . . 4.600 2.971 2.943 3.014 . 0 0 "[ . 1 . 2]" 1
337 1 51 CYS H 1 76 HIS HB3 . . 5.480 5.229 3.335 5.508 0.028 15 0 "[ . 1 . 2]" 1
338 1 50 PRO HD3 1 51 CYS H . . 4.490 3.817 3.756 3.940 . 0 0 "[ . 1 . 2]" 1
339 1 50 PRO HD2 1 51 CYS H . . 4.430 2.683 2.555 2.929 . 0 0 "[ . 1 . 2]" 1
340 1 49 ASN HB2 1 51 CYS H . . 4.420 4.458 4.285 4.572 0.152 14 0 "[ . 1 . 2]" 1
341 1 50 PRO HG2 1 51 CYS H . . 4.970 3.821 3.657 4.099 . 0 0 "[ . 1 . 2]" 1
342 1 50 PRO HB3 1 51 CYS H . . 4.540 4.599 4.551 4.669 0.129 13 0 "[ . 1 . 2]" 1
343 1 51 CYS H 1 52 GLN H . . 4.990 2.439 2.322 2.541 . 0 0 "[ . 1 . 2]" 1
344 1 51 CYS H 1 55 ALA MB . . 4.610 4.816 4.710 5.015 0.405 12 0 "[ . 1 . 2]" 1
345 1 53 ASN H 1 55 ALA H . . 5.420 4.670 3.555 5.287 . 0 0 "[ . 1 . 2]" 1
346 1 54 ASP H 1 55 ALA H . . 4.060 2.783 1.807 3.744 . 0 0 "[ . 1 . 2]" 1
347 1 53 ASN HA 1 55 ALA H . . 4.650 3.903 3.394 4.872 0.222 14 0 "[ . 1 . 2]" 1
348 1 55 ALA H 1 77 CYS QB . . 5.500 4.894 4.002 5.347 . 0 0 "[ . 1 . 2]" 1
349 1 54 ASP QB 1 55 ALA H . . 4.440 3.745 3.048 4.044 . 0 0 "[ . 1 . 2]" 1
350 1 65 GLN H 1 66 CYS H . . 5.500 4.354 4.279 4.469 . 0 0 "[ . 1 . 2]" 1
351 1 65 GLN H 1 65 GLN QG . . 4.380 2.844 2.397 3.992 . 0 0 "[ . 1 . 2]" 1
352 1 58 LEU HB2 1 65 GLN H . . 4.970 3.245 2.808 3.670 . 0 0 "[ . 1 . 2]" 1
353 1 64 PHE QE 1 65 GLN H . . 5.500 4.701 4.155 5.525 0.025 19 0 "[ . 1 . 2]" 1
354 1 52 GLN QE 1 78 GLU H . . 5.500 4.058 3.659 4.566 . 0 0 "[ . 1 . 2]" 1
355 1 76 HIS H 1 78 GLU H . . 5.110 3.324 3.097 3.624 . 0 0 "[ . 1 . 2]" 1
356 1 76 HIS HA 1 78 GLU H . . 5.500 4.507 4.091 5.014 . 0 0 "[ . 1 . 2]" 1
357 1 74 GLY HA2 1 78 GLU H . . 5.500 5.489 5.233 5.856 0.356 5 0 "[ . 1 . 2]" 1
358 1 78 GLU H 1 79 VAL HA . . 5.500 4.496 4.306 4.874 . 0 0 "[ . 1 . 2]" 1
359 1 76 HIS HB3 1 78 GLU H . . 5.220 4.393 3.623 5.238 0.018 9 0 "[ . 1 . 2]" 1
360 1 76 HIS HB2 1 78 GLU H . . 5.190 3.200 2.449 4.414 . 0 0 "[ . 1 . 2]" 1
361 1 78 GLU H 1 78 GLU HG3 . . 5.340 3.613 2.297 4.921 . 0 0 "[ . 1 . 2]" 1
362 1 78 GLU H 1 79 VAL QG . . 4.950 2.595 2.458 2.855 . 0 0 "[ . 1 . 2]" 1
363 1 75 VAL MG1 1 78 GLU H . . 5.500 5.216 4.737 5.585 0.085 5 0 "[ . 1 . 2]" 1
364 1 73 GLU H 1 79 VAL H . . 5.500 3.003 2.552 3.425 . 0 0 "[ . 1 . 2]" 1
365 1 72 TYR QD 1 73 GLU H . . 5.370 3.476 2.900 4.163 . 0 0 "[ . 1 . 2]" 1
366 1 73 GLU H 1 80 ASN HA . . 5.500 3.908 3.428 4.524 . 0 0 "[ . 1 . 2]" 1
367 1 72 TYR HB2 1 73 GLU H . . 5.230 3.807 3.628 4.560 . 0 0 "[ . 1 . 2]" 1
368 1 73 GLU H 1 79 VAL QG . . 5.320 2.893 1.922 4.035 . 0 0 "[ . 1 . 2]" 1
369 1 34 TYR H 1 35 THR H . . 4.900 4.568 4.561 4.579 . 0 0 "[ . 1 . 2]" 1
370 1 32 GLN H 1 34 TYR H . . 5.500 5.145 4.821 5.446 . 0 0 "[ . 1 . 2]" 1
371 1 34 TYR H 1 34 TYR QD . . 4.310 3.149 2.985 3.384 . 0 0 "[ . 1 . 2]" 1
372 1 34 TYR H 1 34 TYR QE . . 5.240 5.472 5.330 5.677 0.437 8 0 "[ . 1 . 2]" 1
373 1 34 TYR H 1 62 GLY HA3 . . 5.500 4.755 4.418 5.019 . 0 0 "[ . 1 . 2]" 1
374 1 32 GLN HB3 1 34 TYR H . . 5.140 5.215 5.051 5.358 0.218 17 0 "[ . 1 . 2]" 1
375 1 32 GLN HB2 1 34 TYR H . . 5.290 5.039 4.741 5.323 0.033 6 0 "[ . 1 . 2]" 1
376 1 34 TYR H 1 43 VAL QG . . 4.800 4.469 4.303 4.621 . 0 0 "[ . 1 . 2]" 1
377 1 69 MET H 1 72 TYR H . . 5.310 4.117 3.786 4.306 . 0 0 "[ . 1 . 2]" 1
378 1 71 GLY H 1 72 TYR H . . 4.590 1.871 1.814 1.959 . 0 0 "[ . 1 . 2]" 1
379 1 72 TYR H 1 81 THR H . . 5.500 5.316 4.977 5.525 0.025 5 0 "[ . 1 . 2]" 1
380 1 72 TYR H 1 72 TYR QD . . 4.530 2.804 2.343 3.255 . 0 0 "[ . 1 . 2]" 1
381 1 72 TYR H 1 72 TYR QE . . 5.270 5.042 4.737 5.331 0.061 11 0 "[ . 1 . 2]" 1
382 1 72 TYR H 1 80 ASN HA . . 5.500 5.363 5.039 5.540 0.040 13 0 "[ . 1 . 2]" 1
383 1 70 PRO HA 1 72 TYR H . . 4.500 4.304 3.983 4.507 0.007 4 0 "[ . 1 . 2]" 1
384 1 70 PRO HD2 1 72 TYR H . . 5.500 5.453 4.834 5.651 0.151 16 0 "[ . 1 . 2]" 1
385 1 69 MET HB2 1 72 TYR H . . 5.440 3.444 2.600 4.473 . 0 0 "[ . 1 . 2]" 1
386 1 72 TYR H 1 73 GLU HB2 . . 5.210 5.264 4.560 5.433 0.223 14 0 "[ . 1 . 2]" 1
387 1 73 GLU H 1 80 ASN H . . 5.500 4.893 4.587 5.267 . 0 0 "[ . 1 . 2]" 1
388 1 72 TYR H 1 73 GLU H . . 5.500 4.507 4.421 4.560 . 0 0 "[ . 1 . 2]" 1
389 1 73 GLU H 1 77 CYS HA . . 5.500 3.600 3.192 4.510 . 0 0 "[ . 1 . 2]" 1
390 1 72 TYR HB3 1 73 GLU H . . 5.500 2.495 2.384 3.678 . 0 0 "[ . 1 . 2]" 1
391 1 73 GLU H 1 73 GLU HG2 . . 4.950 4.775 4.452 5.122 0.172 2 0 "[ . 1 . 2]" 1
392 1 22 THR H 1 25 SER HA . . 5.500 5.099 5.005 5.152 . 0 0 "[ . 1 . 2]" 1
393 1 22 THR H 1 27 GLU HB3 . . 5.260 4.547 4.313 4.730 . 0 0 "[ . 1 . 2]" 1
394 1 22 THR H 1 27 GLU H . . 4.430 3.241 2.985 3.516 . 0 0 "[ . 1 . 2]" 1
395 1 22 THR H 1 25 SER H . . 4.500 4.591 4.569 4.651 0.151 16 0 "[ . 1 . 2]" 1
396 1 22 THR H 1 26 PHE HA . . 3.960 1.878 1.844 1.906 . 0 0 "[ . 1 . 2]" 1
397 1 22 THR H 1 25 SER QB . . 5.500 5.101 5.012 5.250 . 0 0 "[ . 1 . 2]" 1
398 1 22 THR H 1 26 PHE HB2 . . 4.680 3.976 3.759 4.153 . 0 0 "[ . 1 . 2]" 1
399 1 22 THR H 1 26 PHE HB3 . . 4.370 3.902 3.767 3.977 . 0 0 "[ . 1 . 2]" 1
400 1 5 GLU HB2 1 22 THR H . . 5.500 5.482 5.118 5.698 0.198 1 0 "[ . 1 . 2]" 1
401 1 38 ARG H 1 40 GLU H . . 4.950 3.653 3.446 3.935 . 0 0 "[ . 1 . 2]" 1
402 1 38 ARG H 1 41 ILE H . . 5.500 5.168 4.752 5.531 0.031 5 0 "[ . 1 . 2]" 1
403 1 38 ARG H 1 39 CYS H . . 4.410 2.020 1.916 2.127 . 0 0 "[ . 1 . 2]" 1
404 1 36 GLY HA3 1 38 ARG H . . 5.220 3.392 3.244 3.561 . 0 0 "[ . 1 . 2]" 1
405 1 37 PRO HD2 1 38 ARG H . . 5.050 2.275 2.253 2.325 . 0 0 "[ . 1 . 2]" 1
406 1 38 ARG H 1 38 ARG QD . . 5.020 3.536 2.007 4.062 . 0 0 "[ . 1 . 2]" 1
407 1 38 ARG H 1 38 ARG QG . . 5.000 2.596 2.032 3.385 . 0 0 "[ . 1 . 2]" 1
408 1 38 ARG H 1 40 GLU QG . . 4.730 3.452 2.902 3.732 . 0 0 "[ . 1 . 2]" 1
409 1 37 PRO HG2 1 38 ARG H . . 4.610 3.043 2.838 3.241 . 0 0 "[ . 1 . 2]" 1
410 1 12 PRO HB2 1 38 ARG H . . 6.270 5.825 5.422 6.167 . 0 0 "[ . 1 . 2]" 1
411 1 38 ARG H 1 41 ILE MD . . 5.480 4.038 3.182 5.283 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLU H 1 28 CYS H . . 5.330 4.502 4.421 4.560 . 0 0 "[ . 1 . 2]" 1
413 1 28 CYS H 1 29 GLN H . . 5.270 4.186 4.149 4.288 . 0 0 "[ . 1 . 2]" 1
414 1 19 CYS HA 1 28 CYS H . . 5.500 4.739 4.583 4.972 . 0 0 "[ . 1 . 2]" 1
415 1 27 GLU HA 1 28 CYS H . . 3.530 2.323 2.298 2.368 . 0 0 "[ . 1 . 2]" 1
416 1 16 ALA H 1 17 GLY HA2 . . 5.500 5.392 4.906 5.737 0.237 16 0 "[ . 1 . 2]" 1
417 1 16 ALA H 1 17 GLY HA3 . . 5.350 4.594 4.037 4.979 . 0 0 "[ . 1 . 2]" 1
418 1 27 GLU HB2 1 28 CYS H . . 4.230 3.870 3.734 3.930 . 0 0 "[ . 1 . 2]" 1
419 1 27 GLU HB3 1 28 CYS H . . 4.210 4.185 4.126 4.235 0.025 17 0 "[ . 1 . 2]" 1
420 1 14 GLU H 1 16 ALA H . . 5.500 5.087 3.943 5.637 0.137 19 0 "[ . 1 . 2]" 1
421 1 15 HIS HD2 1 16 ALA H . . 5.120 3.968 1.954 5.211 0.091 17 0 "[ . 1 . 2]" 1
422 1 16 ALA H 1 17 GLY H . . 4.250 3.813 3.100 4.298 0.048 7 0 "[ . 1 . 2]" 1
423 1 26 PHE QD 1 28 CYS H . . 5.430 4.347 3.808 4.933 . 0 0 "[ . 1 . 2]" 1
424 1 13 CYS HA 1 16 ALA H . . 5.500 4.906 4.020 5.661 0.161 8 0 "[ . 1 . 2]" 1
425 1 13 CYS HB3 1 16 ALA H . . 4.850 4.085 2.974 5.434 0.584 11 1 "[ . 1+ . 2]" 1
426 1 27 GLU HG3 1 28 CYS H . . 4.340 2.018 1.927 2.097 . 0 0 "[ . 1 . 2]" 1
427 1 16 ALA H 1 31 LEU HG . . 5.280 5.244 4.983 5.338 0.058 10 0 "[ . 1 . 2]" 1
428 1 14 GLU HB2 1 16 ALA H . . 5.270 3.385 2.809 4.397 . 0 0 "[ . 1 . 2]" 1
429 1 16 ALA H 1 16 ALA MB . . 3.520 2.427 2.042 2.995 . 0 0 "[ . 1 . 2]" 1
430 1 20 ILE MD 1 28 CYS H . . 5.500 4.695 4.528 5.219 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU H 1 24 GLY H . . 5.490 4.527 4.508 4.542 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLY H 1 25 SER HA . . 5.500 4.977 4.958 4.995 . 0 0 "[ . 1 . 2]" 1
433 1 2 ASP HB2 1 24 GLY H . . 5.210 2.481 2.034 2.664 . 0 0 "[ . 1 . 2]" 1
434 1 2 ASP HB3 1 24 GLY H . . 5.380 3.428 2.886 4.295 . 0 0 "[ . 1 . 2]" 1
435 1 23 LEU HB3 1 24 GLY H . . 4.390 3.633 3.601 3.669 . 0 0 "[ . 1 . 2]" 1
436 1 56 THR H 1 67 ILE H . . 5.300 2.838 2.597 3.113 . 0 0 "[ . 1 . 2]" 1
437 1 56 THR H 1 57 CYS H . . 5.300 4.417 4.290 4.642 . 0 0 "[ . 1 . 2]" 1
438 1 56 THR H 1 66 CYS HA . . 5.500 4.264 3.660 4.776 . 0 0 "[ . 1 . 2]" 1
439 1 56 THR H 1 67 ILE HB . . 4.790 3.059 2.583 3.344 . 0 0 "[ . 1 . 2]" 1
440 1 56 THR H 1 67 ILE MG . . 4.970 3.612 2.944 4.256 . 0 0 "[ . 1 . 2]" 1
441 1 56 THR H 1 67 ILE MD . . 5.360 5.194 3.770 5.427 0.067 19 0 "[ . 1 . 2]" 1
442 1 55 ALA H 1 56 THR H . . 5.380 4.131 3.586 4.657 . 0 0 "[ . 1 . 2]" 1
443 1 56 THR H 1 67 ILE QG . . 5.330 4.667 4.056 4.968 . 0 0 "[ . 1 . 2]" 1
444 1 49 ASN H 1 50 PRO HD3 . . 4.620 2.237 2.038 2.441 . 0 0 "[ . 1 . 2]" 1
445 1 49 ASN H 1 50 PRO HD2 . . 4.580 3.581 3.413 3.752 . 0 0 "[ . 1 . 2]" 1
446 1 47 VAL QG 1 49 ASN H . . 4.790 3.750 3.591 3.820 . 0 0 "[ . 1 . 2]" 1
447 1 34 TYR QD 1 35 THR H . . 4.810 3.674 3.198 3.801 . 0 0 "[ . 1 . 2]" 1
448 1 35 THR H 1 41 ILE HA . . 5.040 4.471 4.377 4.567 . 0 0 "[ . 1 . 2]" 1
449 1 34 TYR HB3 1 35 THR H . . 5.010 2.840 2.774 2.959 . 0 0 "[ . 1 . 2]" 1
450 1 34 TYR HB2 1 35 THR H . . 5.090 4.130 4.092 4.194 . 0 0 "[ . 1 . 2]" 1
451 1 35 THR H 1 43 VAL QG . . 4.630 2.442 2.127 2.882 . 0 0 "[ . 1 . 2]" 1
452 1 35 THR H 1 43 VAL H . . 4.950 2.872 2.720 3.047 . 0 0 "[ . 1 . 2]" 1
453 1 34 TYR QE 1 35 THR H . . 5.500 5.331 4.936 5.515 0.015 18 0 "[ . 1 . 2]" 1
454 1 35 THR H 1 42 ASP HA . . 5.150 2.545 2.300 2.609 . 0 0 "[ . 1 . 2]" 1
455 1 35 THR H 1 42 ASP HB2 . . 4.800 4.842 4.813 4.866 0.066 19 0 "[ . 1 . 2]" 1
456 1 35 THR H 1 41 ILE HB . . 4.800 3.814 3.561 4.356 . 0 0 "[ . 1 . 2]" 1
457 1 35 THR H 1 41 ILE MG . . 4.650 3.400 3.072 3.869 . 0 0 "[ . 1 . 2]" 1
458 1 77 CYS H 1 78 GLU H . . 4.940 2.763 2.405 2.993 . 0 0 "[ . 1 . 2]" 1
459 1 73 GLU H 1 77 CYS H . . 5.500 5.349 5.070 5.674 0.174 4 0 "[ . 1 . 2]" 1
460 1 75 VAL H 1 77 CYS H . . 5.500 3.578 3.328 3.802 . 0 0 "[ . 1 . 2]" 1
461 1 76 HIS H 1 77 CYS H . . 4.500 2.209 1.981 2.391 . 0 0 "[ . 1 . 2]" 1
462 1 74 GLY H 1 77 CYS H . . 5.500 4.098 2.808 4.450 . 0 0 "[ . 1 . 2]" 1
463 1 76 HIS HD2 1 77 CYS H . . 5.500 4.432 2.733 5.491 . 0 0 "[ . 1 . 2]" 1
464 1 74 GLY HA2 1 77 CYS H . . 5.300 4.269 3.926 4.511 . 0 0 "[ . 1 . 2]" 1
465 1 75 VAL HB 1 77 CYS H . . 5.340 5.092 4.856 5.228 . 0 0 "[ . 1 . 2]" 1
466 1 55 ALA MB 1 77 CYS H . . 5.500 5.067 4.602 5.594 0.094 16 0 "[ . 1 . 2]" 1
467 1 77 CYS H 1 79 VAL QG . . 5.050 3.556 3.188 3.895 . 0 0 "[ . 1 . 2]" 1
468 1 75 VAL MG1 1 77 CYS H . . 5.260 4.166 3.968 4.416 . 0 0 "[ . 1 . 2]" 1
469 1 49 ASN H 1 49 ASN HD22 . . 5.460 3.503 3.272 3.777 . 0 0 "[ . 1 . 2]" 1
470 1 49 ASN H 1 50 PRO HG3 . . 5.500 4.168 3.995 4.364 . 0 0 "[ . 1 . 2]" 1
471 1 49 ASN H 1 50 PRO HB3 . . 5.500 4.582 4.471 4.724 . 0 0 "[ . 1 . 2]" 1
472 1 89 CYS H 1 90 LEU H . . 5.500 3.288 2.466 4.347 . 0 0 "[ . 1 . 2]" 1
473 1 87 SER QB 1 89 CYS H . . 5.450 3.410 2.871 4.222 . 0 0 "[ . 1 . 2]" 1
474 1 88 PRO HD3 1 89 CYS H . . 5.020 3.985 3.657 5.335 0.315 7 0 "[ . 1 . 2]" 1
475 1 88 PRO HD2 1 89 CYS H . . 5.060 2.880 2.254 4.987 . 0 0 "[ . 1 . 2]" 1
476 1 89 CYS H 1 90 LEU QB . . 5.500 4.582 4.064 5.095 . 0 0 "[ . 1 . 2]" 1
477 1 88 PRO HG3 1 89 CYS H . . 5.500 4.710 3.967 5.850 0.350 7 0 "[ . 1 . 2]" 1
478 1 89 CYS H 1 90 LEU QD . . 5.500 4.448 3.077 5.103 . 0 0 "[ . 1 . 2]" 1
479 1 108 THR H 1 109 GLY HA3 . . 3.900 3.943 3.764 4.585 0.685 4 1 "[ +. 1 . 2]" 1
480 1 107 PRO HD3 1 108 THR H . . 5.500 5.520 3.904 5.816 0.316 12 0 "[ . 1 . 2]" 1
481 1 107 PRO HB2 1 108 THR H . . 4.500 2.392 1.937 4.060 . 0 0 "[ . 1 . 2]" 1
482 1 108 THR H 1 108 THR MG . . 4.260 2.887 2.117 3.935 . 0 0 "[ . 1 . 2]" 1
483 1 108 THR H 1 110 PHE QD . . 5.500 3.613 2.216 4.805 . 0 0 "[ . 1 . 2]" 1
484 1 75 VAL H 1 76 HIS H . . 5.050 2.443 2.351 2.678 . 0 0 "[ . 1 . 2]" 1
485 1 74 GLY H 1 76 HIS H . . 5.500 5.320 4.368 5.534 0.034 13 0 "[ . 1 . 2]" 1
486 1 76 HIS H 1 76 HIS HD2 . . 5.500 2.954 1.919 4.051 . 0 0 "[ . 1 . 2]" 1
487 1 74 GLY HA2 1 76 HIS H . . 5.080 4.410 4.164 4.734 . 0 0 "[ . 1 . 2]" 1
488 1 76 HIS H 1 77 CYS HA . . 4.680 4.244 4.172 4.305 . 0 0 "[ . 1 . 2]" 1
489 1 76 HIS H 1 78 GLU QB . . 5.500 4.630 4.111 5.304 . 0 0 "[ . 1 . 2]" 1
490 1 76 HIS H 1 79 VAL QG . . 4.390 3.394 2.889 3.836 . 0 0 "[ . 1 . 2]" 1
491 1 75 VAL MG1 1 76 HIS H . . 4.480 2.402 2.096 2.865 . 0 0 "[ . 1 . 2]" 1
492 1 82 ASP H 1 84 CYS H . . 5.500 5.465 5.126 5.633 0.133 15 0 "[ . 1 . 2]" 1
493 1 83 GLU H 1 84 CYS H . . 4.820 2.110 1.879 2.440 . 0 0 "[ . 1 . 2]" 1
494 1 82 ASP HB3 1 84 CYS H . . 5.500 3.408 2.554 4.503 . 0 0 "[ . 1 . 2]" 1
495 1 83 GLU HB3 1 84 CYS H . . 5.090 4.494 4.050 4.721 . 0 0 "[ . 1 . 2]" 1
496 1 83 GLU HB2 1 84 CYS H . . 5.490 4.309 3.646 4.584 . 0 0 "[ . 1 . 2]" 1
497 1 84 CYS H 1 85 ALA MB . . 4.860 3.762 3.397 4.477 . 0 0 "[ . 1 . 2]" 1
498 1 102 PHE H 1 102 PHE QD . . 5.050 2.427 1.918 3.346 . 0 0 "[ . 1 . 2]" 1
499 1 102 PHE H 1 102 PHE QE . . 5.500 4.278 3.651 5.613 0.113 6 0 "[ . 1 . 2]" 1
500 1 83 GLU HB2 1 102 PHE H . . 5.500 4.650 2.794 5.556 0.056 5 0 "[ . 1 . 2]" 1
501 1 83 GLU HG2 1 102 PHE H . . 5.500 4.088 3.614 4.607 . 0 0 "[ . 1 . 2]" 1
502 1 101 GLU HB3 1 102 PHE H . . 4.630 2.540 1.947 3.616 . 0 0 "[ . 1 . 2]" 1
503 1 98 LYS HB2 1 102 PHE H . . 5.500 4.846 4.481 5.237 . 0 0 "[ . 1 . 2]" 1
504 1 5 GLU H 1 7 SER H . . 5.120 4.087 4.035 4.148 . 0 0 "[ . 1 . 2]" 1
505 1 4 ASP H 1 7 SER H . . 5.500 4.707 4.502 4.963 . 0 0 "[ . 1 . 2]" 1
506 1 6 CYS H 1 7 SER H . . 3.800 2.277 2.145 2.360 . 0 0 "[ . 1 . 2]" 1
507 1 7 SER H 1 7 SER HB2 . . 4.100 2.587 2.395 2.855 . 0 0 "[ . 1 . 2]" 1
508 1 7 SER H 1 7 SER HB3 . . 4.050 2.644 2.423 2.998 . 0 0 "[ . 1 . 2]" 1
509 1 5 GLU HA 1 7 SER H . . 4.670 3.726 3.562 3.895 . 0 0 "[ . 1 . 2]" 1
510 1 7 SER H 1 26 PHE HB2 . . 5.500 5.143 5.001 5.514 0.014 16 0 "[ . 1 . 2]" 1
511 1 6 CYS HB2 1 7 SER H . . 4.340 4.007 3.407 4.489 0.149 12 0 "[ . 1 . 2]" 1
512 1 7 SER H 1 26 PHE HB3 . . 5.010 5.233 4.982 5.528 0.518 1 3 "[+ * . 1 - . 2]" 1
513 1 4 ASP HB2 1 7 SER H . . 4.790 4.211 4.014 4.426 . 0 0 "[ . 1 . 2]" 1
514 1 4 ASP HB3 1 7 SER H . . 5.060 2.868 2.648 3.212 . 0 0 "[ . 1 . 2]" 1
515 1 5 GLU HG3 1 7 SER H . . 5.500 5.622 5.531 5.750 0.250 9 0 "[ . 1 . 2]" 1
516 1 7 SER H 1 8 LEU HG . . 4.450 4.183 3.485 4.642 0.192 11 0 "[ . 1 . 2]" 1
517 1 5 GLU HB3 1 7 SER H . . 5.500 5.372 5.247 5.508 0.008 6 0 "[ . 1 . 2]" 1
518 1 3 VAL MG2 1 7 SER H . . 5.500 5.470 5.250 5.586 0.086 19 0 "[ . 1 . 2]" 1
519 1 7 SER H 1 8 LEU QD . . 4.390 3.669 3.053 3.932 . 0 0 "[ . 1 . 2]" 1
520 1 4 ASP HA 1 7 SER H . . 5.110 3.906 3.812 4.021 . 0 0 "[ . 1 . 2]" 1
521 1 48 SER H 1 49 ASN H . . 4.510 2.187 1.935 2.473 . 0 0 "[ . 1 . 2]" 1
522 1 48 SER H 1 49 ASN HA . . 4.820 4.738 4.568 4.933 0.113 6 0 "[ . 1 . 2]" 1
523 1 48 SER H 1 48 SER HB2 . . 4.070 2.461 2.167 3.646 . 0 0 "[ . 1 . 2]" 1
524 1 48 SER H 1 50 PRO HD3 . . 5.170 3.709 3.599 3.848 . 0 0 "[ . 1 . 2]" 1
525 1 48 SER H 1 50 PRO HD2 . . 5.110 5.311 5.208 5.428 0.318 11 0 "[ . 1 . 2]" 1
526 1 48 SER H 1 49 ASN HB2 . . 5.000 4.583 4.364 4.820 . 0 0 "[ . 1 . 2]" 1
527 1 15 HIS H 1 15 HIS HD2 . . 5.210 2.851 1.927 4.303 . 0 0 "[ . 1 . 2]" 1
528 1 13 CYS HA 1 15 HIS H . . 5.500 4.839 4.166 5.442 . 0 0 "[ . 1 . 2]" 1
529 1 14 GLU HB2 1 15 HIS H . . 5.080 2.217 1.907 4.571 . 0 0 "[ . 1 . 2]" 1
530 1 14 GLU HB3 1 15 HIS H . . 4.640 2.753 1.901 4.696 0.056 18 0 "[ . 1 . 2]" 1
531 1 15 HIS H 1 16 ALA HA . . 5.470 4.520 4.250 5.091 . 0 0 "[ . 1 . 2]" 1
532 1 5 GLU H 1 6 CYS H . . 4.380 2.739 2.689 2.788 . 0 0 "[ . 1 . 2]" 1
533 1 4 ASP H 1 6 CYS H . . 5.310 5.091 4.992 5.161 . 0 0 "[ . 1 . 2]" 1
534 1 6 CYS H 1 26 PHE QD . . 5.220 4.190 3.934 4.326 . 0 0 "[ . 1 . 2]" 1
535 1 4 ASP HA 1 6 CYS H . . 4.250 3.132 3.052 3.213 . 0 0 "[ . 1 . 2]" 1
536 1 6 CYS H 1 7 SER HA . . 4.830 4.852 4.698 4.932 0.102 3 0 "[ . 1 . 2]" 1
537 1 6 CYS H 1 12 PRO HD3 . . 6.350 6.292 5.901 6.541 0.191 20 0 "[ . 1 . 2]" 1
538 1 6 CYS H 1 7 SER HB2 . . 5.240 4.379 4.054 4.728 . 0 0 "[ . 1 . 2]" 1
539 1 6 CYS H 1 7 SER HB3 . . 5.090 4.708 4.501 5.035 . 0 0 "[ . 1 . 2]" 1
540 1 6 CYS H 1 26 PHE HB2 . . 5.420 2.961 2.688 3.392 . 0 0 "[ . 1 . 2]" 1
541 1 6 CYS H 1 6 CYS HB2 . . 3.850 2.695 2.093 3.545 . 0 0 "[ . 1 . 2]" 1
542 1 6 CYS H 1 26 PHE HB3 . . 4.310 3.009 2.672 3.352 . 0 0 "[ . 1 . 2]" 1
543 1 6 CYS H 1 19 CYS QB . . 5.880 5.402 5.043 5.779 . 0 0 "[ . 1 . 2]" 1
544 1 4 ASP HB2 1 6 CYS H . . 4.840 4.720 4.637 4.806 . 0 0 "[ . 1 . 2]" 1
545 1 5 GLU HG2 1 6 CYS H . . 5.800 5.596 5.532 5.686 . 0 0 "[ . 1 . 2]" 1
546 1 4 ASP HB3 1 6 CYS H . . 5.070 4.065 3.830 4.375 . 0 0 "[ . 1 . 2]" 1
547 1 5 GLU HG3 1 6 CYS H . . 5.240 4.754 4.609 4.860 . 0 0 "[ . 1 . 2]" 1
548 1 5 GLU HB2 1 6 CYS H . . 4.620 3.303 3.194 3.502 . 0 0 "[ . 1 . 2]" 1
549 1 5 GLU HB3 1 6 CYS H . . 4.820 4.143 4.036 4.228 . 0 0 "[ . 1 . 2]" 1
550 1 62 GLY H 1 63 GLU H . . 4.600 2.955 2.778 3.170 . 0 0 "[ . 1 . 2]" 1
551 1 60 GLN HA 1 63 GLU H . . 5.330 4.817 4.757 4.918 . 0 0 "[ . 1 . 2]" 1
552 1 61 ILE HA 1 63 GLU H . . 4.430 3.645 3.520 3.906 . 0 0 "[ . 1 . 2]" 1
553 1 63 GLU H 1 63 GLU HG2 . . 4.260 3.511 2.663 4.602 0.342 9 0 "[ . 1 . 2]" 1
554 1 60 GLN HB2 1 63 GLU H . . 4.280 4.126 3.886 4.388 0.108 9 0 "[ . 1 . 2]" 1
555 1 61 ILE MD 1 63 GLU H . . 4.480 3.484 3.378 3.729 . 0 0 "[ . 1 . 2]" 1
556 1 2 ASP HB2 1 25 SER H . . 5.450 5.300 4.980 5.527 0.077 17 0 "[ . 1 . 2]" 1
557 1 23 LEU MD2 1 25 SER H . . 5.570 5.230 5.131 5.338 . 0 0 "[ . 1 . 2]" 1
558 1 108 THR H 1 109 GLY H . . 5.500 2.155 1.847 2.730 . 0 0 "[ . 1 . 2]" 1
559 1 109 GLY H 1 110 PHE QD . . 5.500 3.504 1.901 5.531 0.031 2 0 "[ . 1 . 2]" 1
560 1 109 GLY H 1 111 THR MG . . 5.500 5.125 3.502 5.621 0.121 4 0 "[ . 1 . 2]" 1
561 1 64 PHE H 1 65 GLN H . . 5.490 4.433 4.366 4.519 . 0 0 "[ . 1 . 2]" 1
562 1 64 PHE H 1 64 PHE QE . . 4.980 4.683 3.848 5.085 0.105 4 0 "[ . 1 . 2]" 1
563 1 63 GLU H 1 64 PHE HB3 . . 5.500 4.764 4.591 5.137 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLY H 1 63 GLU H . . 5.500 5.030 4.862 5.319 . 0 0 "[ . 1 . 2]" 1
565 1 24 GLY H 1 25 SER H . . 3.840 3.338 3.313 3.369 . 0 0 "[ . 1 . 2]" 1
566 1 25 SER H 1 26 PHE H . . 4.610 4.435 4.426 4.446 . 0 0 "[ . 1 . 2]" 1
567 1 23 LEU H 1 25 SER H . . 5.500 4.048 3.999 4.118 . 0 0 "[ . 1 . 2]" 1
568 1 25 SER H 1 26 PHE HA . . 5.500 4.753 4.736 4.781 . 0 0 "[ . 1 . 2]" 1
569 1 23 LEU HB3 1 25 SER H . . 4.580 4.736 4.697 4.773 0.193 17 0 "[ . 1 . 2]" 1
570 1 22 THR MG 1 25 SER H . . 4.850 4.842 4.784 4.897 0.047 17 0 "[ . 1 . 2]" 1
571 1 49 ASN HA 1 49 ASN HD22 . . 5.240 4.432 4.371 4.532 . 0 0 "[ . 1 . 2]" 1
572 1 48 SER HA 1 49 ASN HD22 . . 5.240 4.643 4.460 4.831 . 0 0 "[ . 1 . 2]" 1
573 1 48 SER HB2 1 49 ASN HD22 . . 5.500 2.806 1.924 3.810 . 0 0 "[ . 1 . 2]" 1
574 1 49 ASN HB2 1 49 ASN HD22 . . 3.580 3.606 3.585 3.628 0.048 6 0 "[ . 1 . 2]" 1
575 1 63 GLU HA 1 64 PHE H . . 3.640 2.420 2.385 2.536 . 0 0 "[ . 1 . 2]" 1
576 1 63 GLU QB 1 64 PHE H . . 3.950 2.731 2.482 3.474 . 0 0 "[ . 1 . 2]" 1
577 1 63 GLU HG3 1 64 PHE H . . 4.810 3.718 1.897 4.318 . 0 0 "[ . 1 . 2]" 1
578 1 48 SER HA 1 49 ASN HD21 . . 5.260 4.303 4.167 4.566 . 0 0 "[ . 1 . 2]" 1
579 1 49 ASN HD21 1 50 PRO HD2 . . 5.500 5.287 5.084 5.460 . 0 0 "[ . 1 . 2]" 1
580 1 53 ASN H 1 54 ASP QB . . 5.500 4.271 3.511 4.985 . 0 0 "[ . 1 . 2]" 1
581 1 52 GLN QE 1 54 ASP H . . 5.500 4.534 3.394 5.357 . 0 0 "[ . 1 . 2]" 1
582 1 53 ASN H 1 54 ASP H . . 4.470 2.493 1.895 3.335 . 0 0 "[ . 1 . 2]" 1
583 1 52 GLN HA 1 54 ASP H . . 4.650 4.333 3.247 4.729 0.079 4 0 "[ . 1 . 2]" 1
584 1 52 GLN HB3 1 54 ASP H . . 5.500 3.351 2.096 5.854 0.354 14 0 "[ . 1 . 2]" 1
585 1 85 ALA MB 1 87 SER H . . 5.300 5.024 4.297 5.458 0.158 9 0 "[ . 1 . 2]" 1
586 1 32 GLN HE21 1 62 GLY HA3 . . 5.500 5.068 3.694 5.708 0.208 19 0 "[ . 1 . 2]" 1
587 1 32 GLN HA 1 32 GLN HE21 . . 5.350 3.080 2.448 3.683 . 0 0 "[ . 1 . 2]" 1
588 1 32 GLN HA 1 32 GLN HE22 . . 5.500 4.183 2.705 5.184 . 0 0 "[ . 1 . 2]" 1
589 1 32 GLN HB3 1 32 GLN HE22 . . 5.100 4.775 4.488 5.014 . 0 0 "[ . 1 . 2]" 1
590 1 32 GLN HB2 1 32 GLN HE22 . . 5.310 3.962 3.162 4.992 . 0 0 "[ . 1 . 2]" 1
591 1 52 GLN QE 1 53 ASN H . . 5.450 3.973 2.902 4.656 . 0 0 "[ . 1 . 2]" 1
592 1 53 ASN H 1 54 ASP HA . . 5.350 4.731 3.741 5.133 . 0 0 "[ . 1 . 2]" 1
593 1 52 GLN HG2 1 53 ASN H . . 4.710 2.854 1.948 4.351 . 0 0 "[ . 1 . 2]" 1
594 1 53 ASN H 1 78 GLU QB . . 5.500 5.171 4.893 5.373 . 0 0 "[ . 1 . 2]" 1
595 1 52 GLN HB2 1 53 ASN H . . 4.640 2.992 1.736 3.771 . 0 0 "[ . 1 . 2]" 1
596 1 52 GLN HB3 1 53 ASN H . . 4.990 2.546 1.937 4.453 . 0 0 "[ . 1 . 2]" 1
597 1 39 CYS H 1 40 GLU H . . 4.930 2.485 2.374 2.588 . 0 0 "[ . 1 . 2]" 1
598 1 39 CYS H 1 40 GLU HA . . 4.750 4.940 4.885 5.023 0.273 16 0 "[ . 1 . 2]" 1
599 1 86 SER HB3 1 87 SER H . . 5.500 3.196 1.958 4.465 . 0 0 "[ . 1 . 2]" 1
600 1 87 SER H 1 88 PRO HD3 . . 4.820 3.378 1.948 4.230 . 0 0 "[ . 1 . 2]" 1
601 1 38 ARG QG 1 39 CYS H . . 5.490 4.241 3.895 4.692 . 0 0 "[ . 1 . 2]" 1
602 1 39 CYS H 1 40 GLU QG . . 5.500 3.431 2.773 4.089 . 0 0 "[ . 1 . 2]" 1
603 1 37 PRO HG2 1 39 CYS H . . 5.290 4.937 4.753 5.117 . 0 0 "[ . 1 . 2]" 1
604 1 37 PRO HB3 1 39 CYS H . . 5.500 5.685 5.602 5.750 0.250 10 0 "[ . 1 . 2]" 1
605 1 38 ARG HB3 1 39 CYS H . . 5.350 4.378 4.183 4.564 . 0 0 "[ . 1 . 2]" 1
606 1 38 ARG HB2 1 39 CYS H . . 5.070 3.529 3.397 3.811 . 0 0 "[ . 1 . 2]" 1
607 1 39 CYS H 1 41 ILE MD . . 5.500 4.178 3.443 5.569 0.069 16 0 "[ . 1 . 2]" 1
608 1 87 SER H 1 89 CYS H . . 5.500 5.173 4.627 5.625 0.125 16 0 "[ . 1 . 2]" 1
609 1 87 SER H 1 88 PRO HD2 . . 4.960 4.390 3.333 4.954 . 0 0 "[ . 1 . 2]" 1
610 1 101 GLU H 1 102 PHE H . . 4.680 4.298 4.016 4.395 . 0 0 "[ . 1 . 2]" 1
611 1 91 HIS H 1 91 HIS HD2 . . 5.500 3.383 2.358 4.963 . 0 0 "[ . 1 . 2]" 1
612 1 90 LEU HG 1 91 HIS H . . 5.500 3.938 1.927 5.574 0.074 7 0 "[ . 1 . 2]" 1
613 1 90 LEU QD 1 91 HIS H . . 4.100 2.884 1.840 3.947 . 0 0 "[ . 1 . 2]" 1
614 1 80 ASN HA 1 80 ASN HD22 . . 5.500 4.716 3.684 5.418 . 0 0 "[ . 1 . 2]" 1
615 1 3 VAL MG2 1 21 ASN HD22 . . 5.040 4.989 4.523 5.107 0.067 11 0 "[ . 1 . 2]" 1
616 1 101 GLU H 1 101 GLU HG2 . . 4.880 4.298 2.597 4.959 0.079 10 0 "[ . 1 . 2]" 1
617 1 98 LYS HB2 1 101 GLU H . . 5.490 2.751 2.324 4.432 . 0 0 "[ . 1 . 2]" 1
618 1 52 GLN QE 1 76 HIS HB3 . . 5.440 2.547 1.921 3.613 . 0 0 "[ . 1 . 2]" 1
619 1 52 GLN QE 1 76 HIS HB2 . . 5.500 2.527 1.873 3.622 . 0 0 "[ . 1 . 2]" 1
620 1 52 GLN QE 1 78 GLU HG2 . . 5.500 2.739 1.802 4.676 . 0 0 "[ . 1 . 2]" 1
621 1 52 GLN QE 1 78 GLU QB . . 5.000 1.899 1.726 2.198 . 0 0 "[ . 1 . 2]" 1
622 1 18 LYS HG3 1 29 GLN HE22 . . 5.500 4.444 3.446 5.516 0.016 10 0 "[ . 1 . 2]" 1
623 1 51 CYS HA 1 52 GLN QE . . 5.500 5.104 3.567 5.405 . 0 0 "[ . 1 . 2]" 1
624 1 52 GLN HA 1 52 GLN QE . . 5.500 4.400 4.092 5.069 . 0 0 "[ . 1 . 2]" 1
625 1 52 GLN QE 1 78 GLU HA . . 4.890 4.007 3.139 4.363 . 0 0 "[ . 1 . 2]" 1
626 1 20 ILE MG 1 29 GLN HE21 . . 4.790 3.674 3.180 3.951 . 0 0 "[ . 1 . 2]" 1
627 1 29 GLN HB2 1 29 GLN HE22 . . 5.010 4.444 4.242 4.749 . 0 0 "[ . 1 . 2]" 1
628 1 18 LYS HB3 1 29 GLN HE22 . . 5.190 4.133 3.761 4.561 . 0 0 "[ . 1 . 2]" 1
629 1 18 LYS QD 1 29 GLN HE22 . . 5.500 4.622 2.739 5.025 . 0 0 "[ . 1 . 2]" 1
630 1 18 LYS HG2 1 29 GLN HE22 . . 5.500 4.480 3.049 5.509 0.009 16 0 "[ . 1 . 2]" 1
631 1 20 ILE HG12 1 29 GLN HE22 . . 5.500 5.873 5.242 6.404 0.904 6 8 "[ * .+ 1** -** *2]" 1
632 1 20 ILE MG 1 29 GLN HE22 . . 4.930 4.612 4.096 4.929 . 0 0 "[ . 1 . 2]" 1
633 1 18 LYS HB3 1 29 GLN HE21 . . 4.980 2.912 2.248 3.824 . 0 0 "[ . 1 . 2]" 1
634 1 18 LYS QD 1 29 GLN HE21 . . 5.500 3.761 1.976 4.958 . 0 0 "[ . 1 . 2]" 1
635 1 18 LYS HG2 1 29 GLN HE21 . . 5.310 3.557 1.941 5.032 . 0 0 "[ . 1 . 2]" 1
636 1 52 GLN HA 1 53 ASN QD . . 5.390 4.148 3.686 5.286 . 0 0 "[ . 1 . 2]" 1
637 1 33 GLY H 1 62 GLY H . . 5.500 4.344 4.129 4.730 . 0 0 "[ . 1 . 2]" 1
638 1 33 GLY H 1 34 TYR H . . 4.200 3.429 3.232 3.596 . 0 0 "[ . 1 . 2]" 1
639 1 32 GLN HE21 1 33 GLY H . . 5.500 4.954 4.157 5.261 . 0 0 "[ . 1 . 2]" 1
640 1 33 GLY H 1 34 TYR HA . . 5.500 4.498 4.341 4.717 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU HA 1 33 GLY H . . 5.220 5.334 5.249 5.473 0.253 9 0 "[ . 1 . 2]" 1
642 1 33 GLY H 1 62 GLY HA3 . . 5.230 1.988 1.895 2.547 . 0 0 "[ . 1 . 2]" 1
643 1 33 GLY H 1 62 GLY HA2 . . 4.240 2.612 2.278 3.131 . 0 0 "[ . 1 . 2]" 1
644 1 33 GLY H 1 34 TYR HB2 . . 5.440 4.519 4.302 4.707 . 0 0 "[ . 1 . 2]" 1
645 1 32 GLN HB3 1 33 GLY H . . 4.490 1.976 1.870 2.158 . 0 0 "[ . 1 . 2]" 1
646 1 32 GLN HB2 1 33 GLY H . . 4.570 2.278 1.988 2.472 . 0 0 "[ . 1 . 2]" 1
647 1 33 GLY H 1 63 GLU QB . . 5.180 5.043 4.477 5.154 . 0 0 "[ . 1 . 2]" 1
648 1 31 LEU QD 1 33 GLY H . . 5.500 3.979 3.007 4.689 . 0 0 "[ . 1 . 2]" 1
649 1 33 GLY H 1 43 VAL QG . . 5.420 5.400 5.198 5.504 0.084 3 0 "[ . 1 . 2]" 1
650 1 65 GLN HA 1 65 GLN HE21 . . 5.500 4.920 3.589 5.492 . 0 0 "[ . 1 . 2]" 1
651 1 60 GLN HE22 1 65 GLN HE21 . . 5.280 4.558 3.666 5.311 0.031 2 0 "[ . 1 . 2]" 1
652 1 65 GLN HE21 1 67 ILE HA . . 5.500 4.387 3.804 5.153 . 0 0 "[ . 1 . 2]" 1
653 1 58 LEU HB2 1 65 GLN HE21 . . 5.500 3.700 1.915 5.299 . 0 0 "[ . 1 . 2]" 1
654 1 65 GLN HE21 1 67 ILE QG . . 5.500 2.646 1.918 4.046 . 0 0 "[ . 1 . 2]" 1
655 1 58 LEU MD1 1 65 GLN HE21 . . 5.200 3.181 1.856 4.918 . 0 0 "[ . 1 . 2]" 1
656 1 65 GLN HE21 1 67 ILE MD . . 4.820 2.802 1.827 4.664 . 0 0 "[ . 1 . 2]" 1
657 1 65 GLN HB2 1 65 GLN HE22 . . 5.110 4.258 3.443 4.936 . 0 0 "[ . 1 . 2]" 1
658 1 58 LEU HB2 1 65 GLN HE22 . . 5.500 4.836 3.156 5.520 0.020 3 0 "[ . 1 . 2]" 1
659 1 65 GLN HE22 1 67 ILE MG . . 5.370 5.044 3.951 5.439 0.069 15 0 "[ . 1 . 2]" 1
660 1 65 GLN HE22 1 67 ILE MD . . 4.960 2.828 1.924 3.613 . 0 0 "[ . 1 . 2]" 1
661 1 86 SER H 1 87 SER H . . 5.500 2.858 2.080 4.373 . 0 0 "[ . 1 . 2]" 1
662 1 85 ALA H 1 86 SER H . . 5.500 2.519 2.425 2.639 . 0 0 "[ . 1 . 2]" 1
663 1 84 CYS HA 1 86 SER H . . 5.500 3.215 2.976 3.673 . 0 0 "[ . 1 . 2]" 1
664 1 86 SER H 1 88 PRO HD3 . . 5.500 5.094 4.254 5.514 0.014 9 0 "[ . 1 . 2]" 1
665 1 71 GLY H 1 72 TYR QD . . 5.500 4.194 3.631 4.785 . 0 0 "[ . 1 . 2]" 1
666 1 70 PRO HD2 1 71 GLY H . . 5.500 4.374 4.144 4.867 . 0 0 "[ . 1 . 2]" 1
667 1 70 PRO HG2 1 71 GLY H . . 5.500 5.184 5.059 5.408 . 0 0 "[ . 1 . 2]" 1
668 1 60 GLN HA 1 60 GLN HE22 . . 5.020 5.093 4.955 5.314 0.294 9 0 "[ . 1 . 2]" 1
669 1 58 LEU HA 1 60 GLN HE22 . . 5.500 4.785 4.093 5.460 . 0 0 "[ . 1 . 2]" 1
670 1 60 GLN HE22 1 65 GLN QG . . 3.920 2.202 1.778 3.249 . 0 0 "[ . 1 . 2]" 1
671 1 60 GLN HE22 1 65 GLN HB3 . . 4.470 3.053 1.922 4.052 . 0 0 "[ . 1 . 2]" 1
672 1 58 LEU HB2 1 60 GLN HE22 . . 4.660 3.204 2.608 4.210 . 0 0 "[ . 1 . 2]" 1
673 1 58 LEU HB3 1 60 GLN HE22 . . 5.090 2.408 1.907 3.168 . 0 0 "[ . 1 . 2]" 1
674 1 60 GLN HE21 1 65 GLN QG . . 5.180 3.384 2.871 4.581 . 0 0 "[ . 1 . 2]" 1
675 1 60 GLN HE21 1 65 GLN HB3 . . 4.460 4.168 3.138 5.361 0.901 2 1 "[ + . 1 . 2]" 1
676 1 60 GLN HB3 1 60 GLN HE21 . . 4.810 3.856 2.003 4.409 . 0 0 "[ . 1 . 2]" 1
677 1 58 LEU HB3 1 60 GLN HE21 . . 5.160 2.631 2.202 3.581 . 0 0 "[ . 1 . 2]" 1
678 1 35 THR H 1 36 GLY H . . 5.300 3.675 3.510 3.819 . 0 0 "[ . 1 . 2]" 1
679 1 36 GLY H 1 41 ILE H . . 5.500 3.842 3.776 3.896 . 0 0 "[ . 1 . 2]" 1
680 1 36 GLY H 1 37 PRO HA . . 5.120 5.215 5.172 5.249 0.129 3 0 "[ . 1 . 2]" 1
681 1 36 GLY H 1 41 ILE HA . . 4.900 5.044 5.008 5.091 0.191 18 0 "[ . 1 . 2]" 1
682 1 36 GLY H 1 37 PRO HD3 . . 4.690 4.137 4.053 4.256 . 0 0 "[ . 1 . 2]" 1
683 1 36 GLY H 1 41 ILE HB . . 5.280 2.246 2.056 2.818 . 0 0 "[ . 1 . 2]" 1
684 1 36 GLY H 1 41 ILE HG12 . . 5.500 4.135 3.814 4.718 . 0 0 "[ . 1 . 2]" 1
685 1 36 GLY H 1 41 ILE HG13 . . 5.500 4.790 3.823 5.440 . 0 0 "[ . 1 . 2]" 1
686 1 35 THR MG 1 36 GLY H . . 3.890 1.912 1.842 1.962 . 0 0 "[ . 1 . 2]" 1
687 1 36 GLY H 1 41 ILE MD . . 4.880 4.246 3.704 4.846 . 0 0 "[ . 1 . 2]" 1
688 1 36 GLY H 1 43 VAL QG . . 4.870 4.316 4.074 4.635 . 0 0 "[ . 1 . 2]" 1
689 1 9 GLY H 1 11 ASN H . . 5.500 5.267 4.628 5.505 0.005 17 0 "[ . 1 . 2]" 1
690 1 9 GLY H 1 10 ALA H . . 4.060 1.875 1.773 1.987 . 0 0 "[ . 1 . 2]" 1
691 1 8 LEU H 1 9 GLY H . . 3.730 3.102 2.938 3.283 . 0 0 "[ . 1 . 2]" 1
692 1 8 LEU HA 1 9 GLY H . . 3.510 3.608 3.563 3.636 0.126 11 0 "[ . 1 . 2]" 1
693 1 8 LEU HB2 1 9 GLY H . . 3.890 2.181 1.902 2.513 . 0 0 "[ . 1 . 2]" 1
694 1 9 GLY H 1 10 ALA MB . . 4.410 3.156 3.060 3.721 . 0 0 "[ . 1 . 2]" 1
695 1 8 LEU QD 1 9 GLY H . . 4.400 3.634 3.517 3.923 . 0 0 "[ . 1 . 2]" 1
696 1 91 HIS H 1 92 ASN H . . 5.110 3.290 1.899 4.440 . 0 0 "[ . 1 . 2]" 1
697 1 91 HIS HD2 1 92 ASN H . . 5.500 4.630 1.944 5.373 . 0 0 "[ . 1 . 2]" 1
698 1 91 HIS HB3 1 92 ASN H . . 4.900 3.193 2.037 4.460 . 0 0 "[ . 1 . 2]" 1
699 1 89 CYS QB 1 92 ASN H . . 5.500 4.659 3.752 5.445 . 0 0 "[ . 1 . 2]" 1
700 1 92 ASN H 1 107 PRO QG . . 5.500 4.147 3.672 5.018 . 0 0 "[ . 1 . 2]" 1
701 1 90 LEU QD 1 92 ASN H . . 5.500 4.307 3.027 5.442 . 0 0 "[ . 1 . 2]" 1
702 1 11 ASN HD21 1 13 CYS HA . . 5.500 4.615 4.099 5.493 . 0 0 "[ . 1 . 2]" 1
703 1 11 ASN HD21 1 14 GLU HB3 . . 5.500 5.508 4.673 6.153 0.653 8 1 "[ . + 1 . 2]" 1
704 1 11 ASN HA 1 11 ASN HD22 . . 5.500 4.101 3.627 4.670 . 0 0 "[ . 1 . 2]" 1
705 1 11 ASN HD22 1 13 CYS HA . . 5.500 4.514 3.482 4.918 . 0 0 "[ . 1 . 2]" 1
706 1 11 ASN HD22 1 13 CYS HB2 . . 4.840 2.137 1.847 2.939 . 0 0 "[ . 1 . 2]" 1
707 1 73 GLU H 1 74 GLY H . . 5.500 4.368 4.353 4.383 . 0 0 "[ . 1 . 2]" 1
708 1 74 GLY H 1 79 VAL QG . . 4.840 3.788 3.456 4.524 . 0 0 "[ . 1 . 2]" 1
709 1 74 GLY H 1 75 VAL H . . 5.390 4.489 4.402 4.535 . 0 0 "[ . 1 . 2]" 1
710 1 74 GLY H 1 77 CYS HA . . 5.500 3.641 1.967 4.134 . 0 0 "[ . 1 . 2]" 1
711 1 73 GLU HB3 1 74 GLY H . . 4.310 2.754 2.483 3.016 . 0 0 "[ . 1 . 2]" 1
712 1 73 GLU HG2 1 74 GLY H . . 4.500 2.149 1.942 2.884 . 0 0 "[ . 1 . 2]" 1
713 1 92 ASN H 1 93 GLY H . . 4.920 2.372 1.969 2.585 . 0 0 "[ . 1 . 2]" 1
714 1 93 GLY H 1 94 ARG H . . 5.430 4.377 4.226 4.659 . 0 0 "[ . 1 . 2]" 1
715 1 93 GLY H 1 106 CYS HA . . 5.500 5.324 4.475 5.553 0.053 14 0 "[ . 1 . 2]" 1
716 1 93 GLY H 1 94 ARG HA . . 5.500 4.597 4.437 5.584 0.084 1 0 "[ . 1 . 2]" 1
717 1 91 HIS HB2 1 93 GLY H . . 5.500 4.584 2.877 5.490 . 0 0 "[ . 1 . 2]" 1
718 1 93 GLY H 1 107 PRO HD3 . . 5.480 3.922 3.500 4.479 . 0 0 "[ . 1 . 2]" 1
719 1 92 ASN HB3 1 93 GLY H . . 5.470 3.949 3.208 4.543 . 0 0 "[ . 1 . 2]" 1
720 1 89 CYS QB 1 93 GLY H . . 5.190 3.678 2.613 4.521 . 0 0 "[ . 1 . 2]" 1
721 1 93 GLY H 1 107 PRO QG . . 5.500 3.104 2.627 4.805 . 0 0 "[ . 1 . 2]" 1
722 1 15 HIS HA 1 17 GLY H . . 5.350 5.052 4.306 5.462 0.112 15 0 "[ . 1 . 2]" 1
723 1 13 CYS HB3 1 17 GLY H . . 4.960 3.638 3.125 4.692 . 0 0 "[ . 1 . 2]" 1
724 1 17 GLY H 1 31 LEU QD . . 5.150 3.383 2.643 4.050 . 0 0 "[ . 1 . 2]" 1
725 1 17 GLY H 1 18 LYS H . . 4.970 4.338 4.191 4.397 . 0 0 "[ . 1 . 2]" 1
726 1 17 GLY H 1 18 LYS HA . . 5.270 4.533 4.493 4.593 . 0 0 "[ . 1 . 2]" 1
727 1 13 CYS HB2 1 17 GLY H . . 5.000 4.358 3.372 4.823 . 0 0 "[ . 1 . 2]" 1
728 1 17 GLY H 1 18 LYS HB2 . . 5.500 5.545 5.337 5.690 0.190 18 0 "[ . 1 . 2]" 1
729 1 17 GLY H 1 31 LEU HG . . 5.500 3.365 2.898 3.780 . 0 0 "[ . 1 . 2]" 1
730 1 23 LEU H 1 23 LEU MD2 . . 4.550 4.157 4.092 4.226 . 0 0 "[ . 1 . 2]" 1
731 1 10 ALA H 1 11 ASN H . . 5.350 3.651 3.495 3.896 . 0 0 "[ . 1 . 2]" 1
732 1 20 ILE H 1 28 CYS H . . 5.500 4.320 4.216 4.435 . 0 0 "[ . 1 . 2]" 1
733 1 42 ASP H 1 43 VAL H . . 5.500 4.465 4.407 4.572 . 0 0 "[ . 1 . 2]" 1
734 1 52 GLN H 1 53 ASN H . . 5.500 4.615 4.456 4.672 . 0 0 "[ . 1 . 2]" 1
735 1 32 GLN H 1 32 GLN HE22 . . 5.500 4.001 2.361 5.135 . 0 0 "[ . 1 . 2]" 1
736 1 32 GLN H 1 32 GLN HE21 . . 5.500 2.561 1.875 3.428 . 0 0 "[ . 1 . 2]" 1
737 1 80 ASN H 1 80 ASN HD22 . . 5.500 4.540 2.433 5.802 0.302 10 0 "[ . 1 . 2]" 1
738 1 83 GLU HG2 1 84 CYS H . . 5.500 4.773 3.433 5.976 0.476 6 0 "[ . 1 . 2]" 1
739 1 97 ASP H 1 98 LYS H . . 5.500 4.105 3.842 4.281 . 0 0 "[ . 1 . 2]" 1
740 1 99 ILE HB 1 100 ASN H . . 5.120 4.290 2.157 4.530 . 0 0 "[ . 1 . 2]" 1
741 1 99 ILE MG 1 100 ASN H . . 5.500 4.034 3.363 4.350 . 0 0 "[ . 1 . 2]" 1
742 1 96 LEU H 1 105 GLU H . . 5.500 3.686 3.214 4.334 . 0 0 "[ . 1 . 2]" 1
743 1 4 ASP H 1 21 ASN HB3 . . 5.500 5.565 5.371 5.681 0.181 15 0 "[ . 1 . 2]" 1
744 1 4 ASP H 1 21 ASN HB2 . . 5.500 4.344 4.145 4.520 . 0 0 "[ . 1 . 2]" 1
745 1 17 GLY HA2 1 31 LEU H . . 5.500 4.141 3.498 4.562 . 0 0 "[ . 1 . 2]" 1
746 1 57 CYS HA 1 66 CYS H . . 5.500 5.059 4.344 5.478 . 0 0 "[ . 1 . 2]" 1
747 1 58 LEU H 1 66 CYS H . . 5.500 4.959 4.409 5.374 . 0 0 "[ . 1 . 2]" 1
748 1 52 GLN H 1 76 HIS HB3 . . 5.500 4.750 3.904 5.546 0.046 13 0 "[ . 1 . 2]" 1
749 1 80 ASN H 1 81 THR H . . 5.500 4.428 4.143 4.657 . 0 0 "[ . 1 . 2]" 1
750 1 72 TYR QE 1 80 ASN H . . 5.500 3.389 2.574 5.158 . 0 0 "[ . 1 . 2]" 1
751 1 72 TYR HB3 1 81 THR H . . 5.500 4.938 4.092 5.601 0.101 4 0 "[ . 1 . 2]" 1
752 1 79 VAL QG 1 82 ASP H . . 5.500 4.976 4.339 5.522 0.022 20 0 "[ . 1 . 2]" 1
753 1 83 GLU H 1 85 ALA MB . . 5.500 5.089 4.848 5.529 0.029 9 0 "[ . 1 . 2]" 1
754 1 84 CYS QB 1 86 SER H . . 5.500 4.514 4.064 4.932 . 0 0 "[ . 1 . 2]" 1
755 1 94 ARG H 1 105 GLU H . . 5.500 3.111 2.563 3.704 . 0 0 "[ . 1 . 2]" 1
756 1 95 CYS HA 1 105 GLU H . . 5.500 3.664 3.071 4.107 . 0 0 "[ . 1 . 2]" 1
757 1 98 LYS H 1 101 GLU H . . 5.500 3.891 3.709 4.324 . 0 0 "[ . 1 . 2]" 1
758 1 96 LEU H 1 103 GLN H . . 5.500 2.581 1.904 3.129 . 0 0 "[ . 1 . 2]" 1
759 1 49 ASN H 1 49 ASN HD21 . . 5.440 2.050 1.898 2.355 . 0 0 "[ . 1 . 2]" 1
760 1 52 GLN QE 1 53 ASN QD . . 5.380 4.125 1.838 4.725 . 0 0 "[ . 1 . 2]" 1
761 1 88 PRO HG2 1 89 CYS H . . 5.500 3.778 2.656 5.440 . 0 0 "[ . 1 . 2]" 1
762 1 107 PRO HB3 1 108 THR H . . 4.580 3.332 3.098 4.287 . 0 0 "[ . 1 . 2]" 1
763 1 79 VAL HA 1 80 ASN HB3 . . 5.080 4.766 4.480 5.207 0.127 20 0 "[ . 1 . 2]" 1
764 1 79 VAL HA 1 80 ASN HB2 . . 5.320 5.162 4.439 5.686 0.366 6 0 "[ . 1 . 2]" 1
765 1 35 THR HB 1 43 VAL QG . . 4.270 1.899 1.800 2.162 . 0 0 "[ . 1 . 2]" 1
766 1 75 VAL H 1 75 VAL MG2 . . 3.450 3.450 3.115 3.534 0.084 6 0 "[ . 1 . 2]" 1
767 1 75 VAL HA 1 75 VAL MG2 . . 3.450 2.146 2.025 2.195 . 0 0 "[ . 1 . 2]" 1
768 1 43 VAL H 1 43 VAL QG . . 4.210 1.806 1.731 1.869 . 0 0 "[ . 1 . 2]" 1
769 1 90 LEU HA 1 90 LEU QD . . 3.690 2.505 1.860 3.399 . 0 0 "[ . 1 . 2]" 1
770 1 88 PRO HB2 1 90 LEU QD . . 4.390 2.919 1.911 4.048 . 0 0 "[ . 1 . 2]" 1
771 1 3 VAL HA 1 4 ASP HB3 . . 4.960 4.883 4.699 5.044 0.084 17 0 "[ . 1 . 2]" 1
772 1 22 THR HA 1 22 THR MG . . 3.660 2.143 2.017 2.253 . 0 0 "[ . 1 . 2]" 1
773 1 22 THR MG 1 27 GLU HB3 . . 3.820 2.054 1.891 2.300 . 0 0 "[ . 1 . 2]" 1
774 1 83 GLU HA 1 85 ALA H . . 5.310 3.407 2.870 4.128 . 0 0 "[ . 1 . 2]" 1
775 1 87 SER QB 1 88 PRO HD2 . . 4.900 3.899 3.396 4.330 . 0 0 "[ . 1 . 2]" 1
776 1 87 SER QB 1 89 CYS QB . . 5.280 4.220 3.186 4.918 . 0 0 "[ . 1 . 2]" 1
777 1 87 SER QB 1 89 CYS HA . . 5.050 4.447 3.795 4.923 . 0 0 "[ . 1 . 2]" 1
778 1 108 THR MG 1 109 GLY H . . 3.900 3.167 1.959 3.926 0.026 9 0 "[ . 1 . 2]" 1
779 1 81 THR MG 1 83 GLU HA . . 4.910 4.333 3.712 4.803 . 0 0 "[ . 1 . 2]" 1
780 1 3 VAL MG2 1 4 ASP H . . 4.130 2.383 2.110 2.614 . 0 0 "[ . 1 . 2]" 1
781 1 96 LEU HA 1 96 LEU QD . . 4.220 2.196 1.986 2.481 . 0 0 "[ . 1 . 2]" 1
782 1 3 VAL HA 1 3 VAL MG2 . . 3.750 2.082 1.986 2.228 . 0 0 "[ . 1 . 2]" 1
783 1 3 VAL MG2 1 5 GLU HA . . 4.280 4.274 3.978 4.413 0.133 9 0 "[ . 1 . 2]" 1
784 1 3 VAL MG1 1 4 ASP H . . 3.950 3.125 2.950 3.414 . 0 0 "[ . 1 . 2]" 1
785 1 3 VAL MG1 1 5 GLU HA . . 3.920 3.011 2.889 3.267 . 0 0 "[ . 1 . 2]" 1
786 1 3 VAL MG1 1 5 GLU HG2 . . 4.020 3.195 3.026 3.507 . 0 0 "[ . 1 . 2]" 1
787 1 3 VAL MG1 1 5 GLU HG3 . . 3.970 1.965 1.856 2.216 . 0 0 "[ . 1 . 2]" 1
788 1 43 VAL QG 1 45 GLU QB . . 4.260 3.707 3.408 4.168 . 0 0 "[ . 1 . 2]" 1
789 1 41 ILE HA 1 42 ASP HB2 . . 5.240 4.730 4.152 5.271 0.031 5 0 "[ . 1 . 2]" 1
790 1 75 VAL H 1 75 VAL MG1 . . 3.970 2.889 2.760 3.267 . 0 0 "[ . 1 . 2]" 1
791 1 75 VAL MG1 1 76 HIS HD2 . . 4.020 2.635 1.928 3.570 . 0 0 "[ . 1 . 2]" 1
792 1 75 VAL HA 1 75 VAL MG1 . . 3.680 3.064 2.900 3.148 . 0 0 "[ . 1 . 2]" 1
793 1 19 CYS HA 1 20 ILE HA . . 5.500 4.408 4.405 4.411 . 0 0 "[ . 1 . 2]" 1
794 1 20 ILE HA 1 21 ASN HB3 . . 4.880 4.567 4.500 4.735 . 0 0 "[ . 1 . 2]" 1
795 1 20 ILE HA 1 21 ASN HB2 . . 4.910 4.564 4.396 4.688 . 0 0 "[ . 1 . 2]" 1
796 1 67 ILE HA 1 67 ILE QG . . 3.490 2.758 2.255 2.964 . 0 0 "[ . 1 . 2]" 1
797 1 35 THR H 1 35 THR MG . . 4.280 2.017 1.870 2.113 . 0 0 "[ . 1 . 2]" 1
798 1 34 TYR HA 1 35 THR MG . . 4.750 3.815 3.700 3.889 . 0 0 "[ . 1 . 2]" 1
799 1 35 THR MG 1 41 ILE HA . . 4.710 3.644 3.509 3.950 . 0 0 "[ . 1 . 2]" 1
800 1 35 THR MG 1 43 VAL HA . . 4.560 2.509 2.173 2.747 . 0 0 "[ . 1 . 2]" 1
801 1 35 THR MG 1 41 ILE HB . . 4.040 2.185 1.860 3.099 . 0 0 "[ . 1 . 2]" 1
802 1 35 THR MG 1 43 VAL QG . . 3.490 2.287 1.904 2.677 . 0 0 "[ . 1 . 2]" 1
803 1 12 PRO HB2 1 40 GLU HA . . 4.500 4.252 3.869 4.516 0.016 10 0 "[ . 1 . 2]" 1
804 1 85 ALA MB 1 86 SER H . . 4.560 3.045 2.658 3.184 . 0 0 "[ . 1 . 2]" 1
805 1 19 CYS HA 1 28 CYS HA . . 4.530 2.112 1.911 2.416 . 0 0 "[ . 1 . 2]" 1
806 1 18 LYS HA 1 19 CYS HA . . 4.740 4.359 4.349 4.376 . 0 0 "[ . 1 . 2]" 1
807 1 18 LYS HB3 1 19 CYS HA . . 4.710 4.580 4.346 4.778 0.068 18 0 "[ . 1 . 2]" 1
808 1 19 CYS HA 1 20 ILE HG13 . . 5.060 5.018 3.925 5.152 0.092 8 0 "[ . 1 . 2]" 1
809 1 19 CYS HA 1 28 CYS HB3 . . 5.100 4.059 3.799 4.370 . 0 0 "[ . 1 . 2]" 1
810 1 19 CYS HA 1 20 ILE MG . . 4.970 4.945 4.832 5.137 0.167 9 0 "[ . 1 . 2]" 1
811 1 31 LEU HA 1 32 GLN HA . . 4.890 4.311 4.288 4.369 . 0 0 "[ . 1 . 2]" 1
812 1 32 GLN HA 1 33 GLY HA2 . . 4.580 4.612 4.555 4.680 0.100 15 0 "[ . 1 . 2]" 1
813 1 31 LEU QD 1 32 GLN HA . . 5.220 3.749 3.273 4.231 . 0 0 "[ . 1 . 2]" 1
814 1 91 HIS HB2 1 92 ASN H . . 4.770 3.071 1.965 4.525 . 0 0 "[ . 1 . 2]" 1
815 1 90 LEU HA 1 91 HIS HB2 . . 5.030 4.884 4.321 5.597 0.567 16 1 "[ . 1 .+ 2]" 1
816 1 90 LEU QD 1 91 HIS HB2 . . 5.500 3.665 1.924 5.067 . 0 0 "[ . 1 . 2]" 1
817 1 26 PHE HA 1 27 GLU HA . . 5.090 4.358 4.330 4.400 . 0 0 "[ . 1 . 2]" 1
818 1 15 HIS HA 1 16 ALA MB . . 5.050 4.695 4.162 4.987 . 0 0 "[ . 1 . 2]" 1
819 1 61 ILE H 1 61 ILE MG . . 4.430 2.857 2.704 3.030 . 0 0 "[ . 1 . 2]" 1
820 1 57 CYS HA 1 67 ILE H . . 5.010 4.403 3.687 4.642 . 0 0 "[ . 1 . 2]" 1
821 1 57 CYS HA 1 66 CYS HA . . 4.610 2.777 2.007 3.072 . 0 0 "[ . 1 . 2]" 1
822 1 21 ASN HA 1 26 PHE HA . . 4.770 2.733 2.660 2.835 . 0 0 "[ . 1 . 2]" 1
823 1 56 THR HA 1 57 CYS HA . . 5.070 4.352 4.314 4.365 . 0 0 "[ . 1 . 2]" 1
824 1 21 ASN HB2 1 26 PHE HA . . 5.110 4.978 4.857 5.148 0.038 2 0 "[ . 1 . 2]" 1
825 1 26 PHE HA 1 27 GLU HB3 . . 5.100 4.315 4.195 4.399 . 0 0 "[ . 1 . 2]" 1
826 1 57 CYS HA 1 58 LEU HG . . 5.130 4.506 3.952 5.045 . 0 0 "[ . 1 . 2]" 1
827 1 55 ALA MB 1 57 CYS HA . . 5.250 4.510 4.351 5.083 . 0 0 "[ . 1 . 2]" 1
828 1 57 CYS HA 1 58 LEU MD2 . . 5.070 4.844 4.438 5.207 0.137 19 0 "[ . 1 . 2]" 1
829 1 67 ILE H 1 67 ILE MG . . 4.370 3.615 3.393 3.788 . 0 0 "[ . 1 . 2]" 1
830 1 67 ILE MG 1 68 CYS H . . 4.190 2.634 1.870 3.255 . 0 0 "[ . 1 . 2]" 1
831 1 56 THR HB 1 67 ILE MG . . 4.310 3.428 2.796 4.129 . 0 0 "[ . 1 . 2]" 1
832 1 67 ILE MD 1 67 ILE MG . . 3.420 2.139 1.930 3.257 . 0 0 "[ . 1 . 2]" 1
833 1 20 ILE H 1 20 ILE MG . . 4.210 3.705 3.637 3.792 . 0 0 "[ . 1 . 2]" 1
834 1 20 ILE MG 1 21 ASN H . . 3.970 2.514 2.361 2.674 . 0 0 "[ . 1 . 2]" 1
835 1 20 ILE HA 1 20 ILE MG . . 3.720 2.054 1.937 2.133 . 0 0 "[ . 1 . 2]" 1
836 1 20 ILE HG12 1 20 ILE MG . . 3.750 3.206 2.639 3.242 . 0 0 "[ . 1 . 2]" 1
837 1 34 TYR HA 1 43 VAL QG . . 4.960 2.710 2.558 2.946 . 0 0 "[ . 1 . 2]" 1
838 1 34 TYR HA 1 43 VAL H . . 4.930 2.676 2.594 2.781 . 0 0 "[ . 1 . 2]" 1
839 1 34 TYR HA 1 42 ASP HA . . 4.940 2.397 2.176 2.563 . 0 0 "[ . 1 . 2]" 1
840 1 72 TYR HA 1 81 THR H . . 5.350 2.686 2.145 3.150 . 0 0 "[ . 1 . 2]" 1
841 1 22 THR HA 1 23 LEU HA . . 5.170 4.261 4.255 4.267 . 0 0 "[ . 1 . 2]" 1
842 1 2 ASP HB3 1 23 LEU HA . . 5.100 2.906 2.626 3.427 . 0 0 "[ . 1 . 2]" 1
843 1 16 ALA MB 1 17 GLY H . . 4.280 3.616 3.487 3.757 . 0 0 "[ . 1 . 2]" 1
844 1 16 ALA MB 1 31 LEU QD . . 3.450 2.732 1.835 3.306 . 0 0 "[ . 1 . 2]" 1
845 1 23 LEU HA 1 25 SER H . . 5.200 3.951 3.934 3.977 . 0 0 "[ . 1 . 2]" 1
846 1 2 ASP HB2 1 23 LEU HA . . 4.770 2.063 1.943 2.378 . 0 0 "[ . 1 . 2]" 1
847 1 41 ILE MG 1 42 ASP H . . 4.360 2.199 2.044 2.385 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE MG 1 43 VAL HA . . 4.440 3.796 3.693 3.984 . 0 0 "[ . 1 . 2]" 1
849 1 35 THR MG 1 41 ILE MG . . 4.040 1.683 1.584 1.875 . 0 0 "[ . 1 . 2]" 1
850 1 1 GLN HA 1 2 ASP HB2 . . 4.400 4.256 4.046 4.503 0.103 18 0 "[ . 1 . 2]" 1
851 1 98 LYS H 1 102 PHE HA . . 4.970 2.646 2.255 2.999 . 0 0 "[ . 1 . 2]" 1
852 1 98 LYS HB2 1 102 PHE HA . . 5.340 3.541 2.910 3.908 . 0 0 "[ . 1 . 2]" 1
853 1 96 LEU H 1 102 PHE HA . . 4.450 4.296 3.843 4.488 0.038 19 0 "[ . 1 . 2]" 1
854 1 101 GLU HB3 1 102 PHE HA . . 5.320 4.537 4.099 5.752 0.432 14 0 "[ . 1 . 2]" 1
855 1 18 LYS HA 1 19 CYS QB . . 4.330 3.971 3.917 4.054 . 0 0 "[ . 1 . 2]" 1
856 1 97 ASP HA 1 102 PHE HA . . 5.000 3.362 2.851 3.763 . 0 0 "[ . 1 . 2]" 1
857 1 1 GLN QB 1 2 ASP HA . . 4.230 3.953 3.748 4.106 . 0 0 "[ . 1 . 2]" 1
858 1 31 LEU HA 1 32 GLN HE21 . . 3.770 3.701 3.313 3.869 0.099 11 0 "[ . 1 . 2]" 1
859 1 17 GLY HA3 1 18 LYS HA . . 4.600 4.494 4.429 4.616 0.016 15 0 "[ . 1 . 2]" 1
860 1 31 LEU HA 1 32 GLN QG . . 5.150 4.754 4.061 5.102 . 0 0 "[ . 1 . 2]" 1
861 1 31 LEU HA 1 32 GLN HB3 . . 5.410 5.645 5.506 5.796 0.386 18 0 "[ . 1 . 2]" 1
862 1 52 GLN HA 1 53 ASN HA . . 4.850 4.437 4.272 4.872 0.022 16 0 "[ . 1 . 2]" 1
863 1 63 GLU H 1 64 PHE HA . . 4.870 4.575 4.480 4.634 . 0 0 "[ . 1 . 2]" 1
864 1 73 GLU HA 1 79 VAL QG . . 4.860 4.200 3.668 4.775 . 0 0 "[ . 1 . 2]" 1
865 1 21 ASN HA 1 22 THR MG . . 4.720 4.434 4.284 4.532 . 0 0 "[ . 1 . 2]" 1
866 1 52 GLN HA 1 52 GLN HG2 . . 4.270 2.939 2.329 4.228 . 0 0 "[ . 1 . 2]" 1
867 1 75 VAL MG1 1 76 HIS HA . . 5.250 3.263 3.161 3.347 . 0 0 "[ . 1 . 2]" 1
868 1 20 ILE MG 1 21 ASN HA . . 4.800 4.880 4.709 4.959 0.159 13 0 "[ . 1 . 2]" 1
869 1 59 ASP HA 1 65 GLN H . . 4.780 3.654 3.025 4.195 . 0 0 "[ . 1 . 2]" 1
870 1 61 ILE MD 1 63 GLU HA . . 4.950 4.879 4.606 5.043 0.093 11 0 "[ . 1 . 2]" 1
871 1 92 ASN HA 1 93 GLY HA3 . . 5.150 4.911 4.703 5.322 0.172 17 0 "[ . 1 . 2]" 1
872 1 72 TYR QD 1 78 GLU HA . . 5.280 3.330 2.790 4.002 . 0 0 "[ . 1 . 2]" 1
873 1 72 TYR QD 1 80 ASN H . . 5.380 3.214 2.748 5.151 . 0 0 "[ . 1 . 2]" 1
874 1 72 TYR QD 1 81 THR H . . 5.020 4.118 3.588 4.570 . 0 0 "[ . 1 . 2]" 1
875 1 72 TYR QD 1 80 ASN HA . . 4.970 2.495 1.977 3.230 . 0 0 "[ . 1 . 2]" 1
876 1 69 MET HB2 1 72 TYR QD . . 5.340 3.697 2.525 5.081 . 0 0 "[ . 1 . 2]" 1
877 1 103 GLN HA 1 104 CYS HA . . 5.020 4.378 4.340 4.411 . 0 0 "[ . 1 . 2]" 1
878 1 94 ARG H 1 104 CYS HA . . 5.500 3.811 3.162 4.531 . 0 0 "[ . 1 . 2]" 1
879 1 104 CYS HA 1 105 GLU HG2 . . 5.110 4.518 3.951 5.177 0.067 16 0 "[ . 1 . 2]" 1
880 1 94 ARG HB3 1 104 CYS HA . . 5.500 5.020 4.471 5.729 0.229 4 0 "[ . 1 . 2]" 1
881 1 51 CYS HA 1 76 HIS HA . . 4.980 2.613 1.988 3.276 . 0 0 "[ . 1 . 2]" 1
882 1 76 HIS HA 1 76 HIS HD2 . . 4.780 3.417 2.291 4.403 . 0 0 "[ . 1 . 2]" 1
883 1 51 CYS HB3 1 76 HIS HA . . 5.330 3.716 2.589 5.297 . 0 0 "[ . 1 . 2]" 1
884 1 75 VAL MG2 1 76 HIS HA . . 5.370 4.889 4.629 5.209 . 0 0 "[ . 1 . 2]" 1
885 1 38 ARG HA 1 38 ARG QD . . 4.460 2.678 2.026 4.034 . 0 0 "[ . 1 . 2]" 1
886 1 60 GLN HA 1 60 GLN HE21 . . 4.950 3.739 3.446 4.809 . 0 0 "[ . 1 . 2]" 1
887 1 20 ILE HB 1 21 ASN HA . . 4.920 4.364 4.341 4.414 . 0 0 "[ . 1 . 2]" 1
888 1 60 GLN HA 1 61 ILE HG13 . . 4.880 4.158 4.013 4.440 . 0 0 "[ . 1 . 2]" 1
889 1 58 LEU HA 1 65 GLN H . . 4.910 4.547 3.990 4.807 . 0 0 "[ . 1 . 2]" 1
890 1 91 HIS HB2 1 92 ASN HA . . 4.800 4.891 4.453 5.312 0.512 9 2 "[ . +1 . -]" 1
891 1 103 GLN H 1 104 CYS HA . . 5.210 4.681 4.533 4.980 . 0 0 "[ . 1 . 2]" 1
892 1 95 CYS HA 1 104 CYS HA . . 4.880 2.276 1.962 3.267 . 0 0 "[ . 1 . 2]" 1
893 1 37 PRO HA 1 38 ARG HA . . 5.100 4.396 4.381 4.415 . 0 0 "[ . 1 . 2]" 1
894 1 37 PRO HG2 1 38 ARG HA . . 5.050 5.103 5.049 5.152 0.102 11 0 "[ . 1 . 2]" 1
895 1 60 GLN HA 1 60 GLN QG . . 3.780 2.190 1.968 3.240 . 0 0 "[ . 1 . 2]" 1
896 1 33 GLY H 1 34 TYR QD . . 5.270 2.986 2.587 3.528 . 0 0 "[ . 1 . 2]" 1
897 1 34 TYR QD 1 42 ASP HA . . 4.590 3.126 2.973 3.242 . 0 0 "[ . 1 . 2]" 1
898 1 34 TYR QD 1 62 GLY HA2 . . 5.400 2.813 2.472 3.166 . 0 0 "[ . 1 . 2]" 1
899 1 34 TYR QD 1 42 ASP HB2 . . 5.080 3.515 3.348 3.676 . 0 0 "[ . 1 . 2]" 1
900 1 34 TYR QD 1 41 ILE HB . . 4.760 4.827 4.660 4.922 0.162 1 0 "[ . 1 . 2]" 1
901 1 31 LEU QD 1 34 TYR QD . . 4.910 3.498 2.049 4.581 . 0 0 "[ . 1 . 2]" 1
902 1 18 LYS HA 1 28 CYS HA . . 5.500 5.202 5.084 5.278 . 0 0 "[ . 1 . 2]" 1
903 1 28 CYS HA 1 29 GLN QG . . 4.890 3.520 3.391 3.745 . 0 0 "[ . 1 . 2]" 1
904 1 28 CYS HA 1 29 GLN HA . . 5.470 4.346 4.329 4.352 . 0 0 "[ . 1 . 2]" 1
905 1 20 ILE HG12 1 28 CYS HA . . 5.470 2.819 2.376 3.255 . 0 0 "[ . 1 . 2]" 1
906 1 6 CYS HA 1 12 PRO HD3 . . 5.100 3.934 3.350 4.277 . 0 0 "[ . 1 . 2]" 1
907 1 6 CYS HA 1 26 PHE QE . . 4.720 4.767 4.351 4.883 0.163 8 0 "[ . 1 . 2]" 1
908 1 59 ASP HA 1 64 PHE QD . . 4.880 4.179 3.750 4.956 0.076 3 0 "[ . 1 . 2]" 1
909 1 64 PHE H 1 64 PHE QD . . 3.760 2.845 1.902 3.398 . 0 0 "[ . 1 . 2]" 1
910 1 66 CYS HA 1 67 ILE HA . . 5.400 4.398 4.376 4.506 . 0 0 "[ . 1 . 2]" 1
911 1 108 THR HA 1 110 PHE QD . . 4.870 4.393 3.124 5.001 0.131 4 0 "[ . 1 . 2]" 1
912 1 107 PRO HB3 1 110 PHE QD . . 4.380 3.648 1.943 4.975 0.595 4 1 "[ +. 1 . 2]" 1
913 1 5 GLU HB2 1 26 PHE QD . . 4.810 1.966 1.905 2.084 . 0 0 "[ . 1 . 2]" 1
914 1 5 GLU HB3 1 26 PHE QD . . 4.770 2.755 1.993 3.044 . 0 0 "[ . 1 . 2]" 1
915 1 67 ILE HA 1 68 CYS HA . . 4.410 4.353 4.331 4.384 . 0 0 "[ . 1 . 2]" 1
916 1 42 ASP HA 1 43 VAL QG . . 5.040 3.324 3.087 3.519 . 0 0 "[ . 1 . 2]" 1
917 1 46 CYS HA 1 64 PHE QD . . 4.770 3.601 2.635 4.120 . 0 0 "[ . 1 . 2]" 1
918 1 105 GLU HA 1 106 CYS HA . . 5.500 4.370 4.341 4.420 . 0 0 "[ . 1 . 2]" 1
919 1 93 GLY HA2 1 106 CYS HA . . 4.930 2.942 2.015 3.634 . 0 0 "[ . 1 . 2]" 1
920 1 106 CYS HA 1 107 PRO QG . . 5.020 3.884 3.843 3.932 . 0 0 "[ . 1 . 2]" 1
921 1 94 ARG H 1 106 CYS HA . . 5.390 3.902 3.097 4.197 . 0 0 "[ . 1 . 2]" 1
922 1 42 ASP HA 1 43 VAL HB . . 5.400 4.883 4.691 5.133 . 0 0 "[ . 1 . 2]" 1
923 1 20 ILE MD 1 21 ASN H . . 4.580 4.545 4.508 4.599 0.019 6 0 "[ . 1 . 2]" 1
924 1 20 ILE MD 1 29 GLN HE21 . . 4.030 1.962 1.864 2.092 . 0 0 "[ . 1 . 2]" 1
925 1 20 ILE MD 1 29 GLN HE22 . . 4.070 3.411 2.970 3.621 . 0 0 "[ . 1 . 2]" 1
926 1 20 ILE MD 1 28 CYS HA . . 4.210 2.616 2.363 4.163 . 0 0 "[ . 1 . 2]" 1
927 1 20 ILE HA 1 20 ILE MD . . 3.830 2.740 2.614 3.830 0.000 9 0 "[ . 1 . 2]" 1
928 1 20 ILE MD 1 29 GLN QG . . 3.770 2.039 1.795 2.179 . 0 0 "[ . 1 . 2]" 1
929 1 20 ILE MD 1 27 GLU HG2 . . 3.610 3.384 2.866 3.555 . 0 0 "[ . 1 . 2]" 1
930 1 18 LYS HB3 1 20 ILE MD . . 3.580 2.409 1.966 3.117 . 0 0 "[ . 1 . 2]" 1
931 1 18 LYS QD 1 20 ILE MD . . 3.980 2.685 1.720 3.725 . 0 0 "[ . 1 . 2]" 1
932 1 18 LYS HG2 1 20 ILE MD . . 3.580 3.006 1.923 4.539 0.959 9 1 "[ . +1 . 2]" 1
933 1 41 ILE H 1 41 ILE MD . . 4.250 2.768 2.150 3.617 . 0 0 "[ . 1 . 2]" 1
934 1 41 ILE MD 1 42 ASP H . . 4.320 4.189 3.351 4.768 0.448 10 0 "[ . 1 . 2]" 1
935 1 36 GLY HA2 1 41 ILE MD . . 4.240 2.796 1.918 3.700 . 0 0 "[ . 1 . 2]" 1
936 1 41 ILE HA 1 41 ILE MD . . 3.960 2.441 1.828 2.974 . 0 0 "[ . 1 . 2]" 1
937 1 36 GLY HA3 1 41 ILE MD . . 4.280 2.447 1.803 3.712 . 0 0 "[ . 1 . 2]" 1
938 1 40 GLU QG 1 41 ILE MD . . 4.270 2.700 1.714 3.987 . 0 0 "[ . 1 . 2]" 1
939 1 40 GLU HB3 1 41 ILE MD . . 4.350 4.058 3.604 4.598 0.248 2 0 "[ . 1 . 2]" 1
940 1 41 ILE MD 1 41 ILE MG . . 3.530 2.927 2.151 3.268 . 0 0 "[ . 1 . 2]" 1
941 1 45 GLU QB 1 64 PHE QE . . 5.470 3.842 2.904 4.641 . 0 0 "[ . 1 . 2]" 1
942 1 72 TYR HA 1 80 ASN HA . . 5.350 2.780 2.458 3.208 . 0 0 "[ . 1 . 2]" 1
943 1 61 ILE H 1 61 ILE MD . . 3.790 1.898 1.798 2.076 . 0 0 "[ . 1 . 2]" 1
944 1 60 GLN HA 1 61 ILE MD . . 3.930 4.055 3.960 4.139 0.209 19 0 "[ . 1 . 2]" 1
945 1 26 PHE QE 1 40 GLU QG . . 5.440 3.562 2.462 4.653 . 0 0 "[ . 1 . 2]" 1
946 1 5 GLU HG2 1 26 PHE QE . . 5.210 5.037 4.434 5.287 0.077 15 0 "[ . 1 . 2]" 1
947 1 12 PRO HB2 1 26 PHE QE . . 5.420 4.354 3.770 4.734 . 0 0 "[ . 1 . 2]" 1
948 1 12 PRO HG3 1 26 PHE QE . . 5.200 1.931 1.841 1.981 . 0 0 "[ . 1 . 2]" 1
949 1 11 ASN HA 1 12 PRO HB2 . . 5.370 5.510 5.504 5.515 0.145 1 0 "[ . 1 . 2]" 1
950 1 67 ILE HA 1 67 ILE MD . . 3.820 2.074 1.797 3.740 . 0 0 "[ . 1 . 2]" 1
951 1 15 HIS HB2 1 15 HIS HE1 . . 5.260 4.983 4.763 5.314 0.054 8 0 "[ . 1 . 2]" 1
952 1 94 ARG H 1 107 PRO HD3 . . 5.480 3.957 2.400 4.560 . 0 0 "[ . 1 . 2]" 1
953 1 93 GLY HA3 1 107 PRO HD3 . . 4.380 3.113 2.001 4.690 0.310 1 0 "[ . 1 . 2]" 1
954 1 93 GLY HA2 1 107 PRO HD3 . . 5.190 2.079 1.909 3.241 . 0 0 "[ . 1 . 2]" 1
955 1 43 VAL HA 1 44 ASN HA . . 5.260 4.300 4.257 4.307 . 0 0 "[ . 1 . 2]" 1
956 1 44 ASN HA 1 45 GLU QB . . 5.030 4.649 4.207 4.850 . 0 0 "[ . 1 . 2]" 1
957 1 43 VAL QG 1 44 ASN HA . . 5.120 3.445 3.382 3.576 . 0 0 "[ . 1 . 2]" 1
958 1 11 ASN HB2 1 12 PRO HD3 . . 5.470 4.693 4.442 4.765 . 0 0 "[ . 1 . 2]" 1
959 1 107 PRO HD2 1 110 PHE QD . . 5.180 4.623 3.085 5.567 0.387 12 0 "[ . 1 . 2]" 1
960 1 106 CYS HB2 1 107 PRO HD2 . . 5.150 3.590 2.324 4.333 . 0 0 "[ . 1 . 2]" 1
961 1 49 ASN HB3 1 50 PRO HD2 . . 5.500 4.774 4.685 4.871 . 0 0 "[ . 1 . 2]" 1
962 1 17 GLY HA2 1 31 LEU QD . . 5.300 2.245 1.820 3.108 . 0 0 "[ . 1 . 2]" 1
963 1 17 GLY HA2 1 31 LEU HG . . 5.370 2.870 1.971 3.744 . 0 0 "[ . 1 . 2]" 1
964 1 61 ILE MD 1 62 GLY HA3 . . 5.250 4.291 4.168 4.494 . 0 0 "[ . 1 . 2]" 1
965 1 108 THR MG 1 109 GLY HA3 . . 5.500 3.927 3.114 4.705 . 0 0 "[ . 1 . 2]" 1
966 1 108 THR MG 1 109 GLY HA2 . . 5.270 3.754 3.157 4.439 . 0 0 "[ . 1 . 2]" 1
967 1 74 GLY HA2 1 79 VAL QG . . 4.800 3.045 2.591 3.781 . 0 0 "[ . 1 . 2]" 1
968 1 74 GLY HA2 1 75 VAL MG1 . . 5.090 5.192 5.051 5.433 0.343 19 0 "[ . 1 . 2]" 1
969 1 36 GLY HA3 1 41 ILE HA . . 4.760 4.217 4.114 4.335 . 0 0 "[ . 1 . 2]" 1
970 1 36 GLY HA3 1 37 PRO HG3 . . 5.210 5.201 5.108 5.265 0.055 10 0 "[ . 1 . 2]" 1
971 1 35 THR MG 1 36 GLY HA3 . . 5.500 3.604 3.412 3.768 . 0 0 "[ . 1 . 2]" 1
972 1 74 GLY HA3 1 75 VAL HA . . 5.500 4.562 4.491 4.605 . 0 0 "[ . 1 . 2]" 1
973 1 74 GLY HA3 1 79 VAL QG . . 4.720 1.974 1.756 2.656 . 0 0 "[ . 1 . 2]" 1
974 1 74 GLY HA3 1 75 VAL MG1 . . 5.500 4.730 4.329 5.106 . 0 0 "[ . 1 . 2]" 1
975 1 2 ASP HB2 1 24 GLY HA2 . . 4.780 4.572 4.091 4.832 0.052 16 0 "[ . 1 . 2]" 1
976 1 104 CYS HB3 1 105 GLU H . . 5.500 4.318 3.948 4.650 . 0 0 "[ . 1 . 2]" 1
977 1 1 GLN HA 1 2 ASP HB3 . . 4.880 4.652 4.218 4.840 . 0 0 "[ . 1 . 2]" 1
978 1 37 PRO HA 1 38 ARG QD . . 5.360 4.831 3.818 5.170 . 0 0 "[ . 1 . 2]" 1
979 1 58 LEU HB2 1 65 GLN HB3 . . 4.390 4.087 1.902 4.834 0.444 19 0 "[ . 1 . 2]" 1
980 1 58 LEU HB2 1 65 GLN QG . . 4.930 2.105 1.858 3.736 . 0 0 "[ . 1 . 2]" 1
981 1 58 LEU HB2 1 67 ILE QG . . 5.180 4.390 3.787 5.021 . 0 0 "[ . 1 . 2]" 1
982 1 58 LEU HB3 1 65 GLN QG . . 5.140 2.677 1.830 4.335 . 0 0 "[ . 1 . 2]" 1
983 1 58 LEU HB3 1 65 GLN HB3 . . 5.200 4.492 3.105 5.247 0.047 6 0 "[ . 1 . 2]" 1
984 1 58 LEU HB2 1 60 GLN HE21 . . 5.190 3.882 3.275 5.069 . 0 0 "[ . 1 . 2]" 1
985 1 89 CYS HA 1 90 LEU QB . . 4.830 4.433 3.934 4.745 . 0 0 "[ . 1 . 2]" 1
986 1 88 PRO HB2 1 90 LEU QB . . 4.260 3.508 2.500 4.240 . 0 0 "[ . 1 . 2]" 1
987 1 64 PHE HB2 1 65 GLN HA . . 5.500 4.897 4.513 5.090 . 0 0 "[ . 1 . 2]" 1
988 1 18 LYS QE 1 29 GLN QG . . 4.250 3.714 3.406 4.020 . 0 0 "[ . 1 . 2]" 1
989 1 18 LYS HB2 1 18 LYS QE . . 4.130 3.400 2.297 4.008 . 0 0 "[ . 1 . 2]" 1
990 1 18 LYS QE 1 18 LYS HG2 . . 3.840 2.756 2.033 3.436 . 0 0 "[ . 1 . 2]" 1
991 1 18 LYS QE 1 18 LYS HG3 . . 3.920 2.643 1.981 3.413 . 0 0 "[ . 1 . 2]" 1
992 1 18 LYS QE 1 20 ILE MD . . 3.920 2.728 1.778 3.588 . 0 0 "[ . 1 . 2]" 1
993 1 98 LYS HE2 1 103 GLN QB . . 4.620 3.389 1.920 4.222 . 0 0 "[ . 1 . 2]" 1
994 1 98 LYS HE2 1 98 LYS HG3 . . 3.930 3.128 2.205 3.909 . 0 0 "[ . 1 . 2]" 1
995 1 98 LYS HB3 1 98 LYS HE2 . . 4.360 4.110 2.588 5.283 0.923 19 1 "[ . 1 . +2]" 1
996 1 98 LYS HE3 1 103 GLN QB . . 4.740 3.097 2.171 4.005 . 0 0 "[ . 1 . 2]" 1
997 1 96 LEU HB3 1 98 LYS HG2 . . 4.710 3.420 2.436 4.713 0.003 15 0 "[ . 1 . 2]" 1
998 1 98 LYS HA 1 98 LYS HE2 . . 4.990 4.700 3.702 5.066 0.076 15 0 "[ . 1 . 2]" 1
999 1 98 LYS HA 1 98 LYS HE3 . . 5.070 4.849 4.384 5.080 0.010 1 0 "[ . 1 . 2]" 1
1000 1 98 LYS HE3 1 98 LYS HG2 . . 4.020 3.137 2.131 3.878 . 0 0 "[ . 1 . 2]" 1
1001 1 98 LYS HB3 1 98 LYS HE3 . . 4.490 3.747 2.604 4.549 0.059 19 0 "[ . 1 . 2]" 1
1002 1 50 PRO HA 1 57 CYS HB2 . . 5.200 2.254 1.937 2.710 . 0 0 "[ . 1 . 2]" 1
1003 1 34 TYR HB3 1 41 ILE HA . . 5.500 4.777 4.404 5.355 . 0 0 "[ . 1 . 2]" 1
1004 1 46 CYS QB 1 64 PHE HB2 . . 5.090 2.340 1.877 3.109 . 0 0 "[ . 1 . 2]" 1
1005 1 58 LEU HA 1 59 ASP HB3 . . 5.190 4.428 4.255 4.899 . 0 0 "[ . 1 . 2]" 1
1006 1 57 CYS HB2 1 66 CYS HB3 . . 4.420 4.213 3.616 4.535 0.115 16 0 "[ . 1 . 2]" 1
1007 1 41 ILE HA 1 42 ASP HB3 . . 4.860 4.371 4.078 5.001 0.141 8 0 "[ . 1 . 2]" 1
1008 1 15 HIS HA 1 15 HIS HD2 . . 5.010 3.909 2.775 4.263 . 0 0 "[ . 1 . 2]" 1
1009 1 14 GLU QG 1 15 HIS HD2 . . 5.290 4.197 3.457 5.111 . 0 0 "[ . 1 . 2]" 1
1010 1 90 LEU HA 1 91 HIS HD2 . . 5.170 4.759 3.095 5.369 0.199 2 0 "[ . 1 . 2]" 1
1011 1 90 LEU QB 1 91 HIS HD2 . . 5.250 3.855 2.772 4.952 . 0 0 "[ . 1 . 2]" 1
1012 1 90 LEU QD 1 91 HIS HD2 . . 5.020 2.994 1.770 4.857 . 0 0 "[ . 1 . 2]" 1
1013 1 65 GLN HA 1 66 CYS HB3 . . 5.190 4.527 4.225 4.948 . 0 0 "[ . 1 . 2]" 1
1014 1 41 ILE MG 1 42 ASP HB3 . . 5.410 3.931 3.836 4.209 . 0 0 "[ . 1 . 2]" 1
1015 1 75 VAL HB 1 76 HIS HD2 . . 5.060 4.636 3.586 5.078 0.018 7 0 "[ . 1 . 2]" 1
1016 1 23 LEU H 1 23 LEU HB2 . . 3.890 2.060 2.050 2.068 . 0 0 "[ . 1 . 2]" 1
1017 1 22 THR HA 1 23 LEU HB2 . . 4.710 4.399 4.371 4.446 . 0 0 "[ . 1 . 2]" 1
1018 1 23 LEU HB3 1 23 LEU MD1 . . 3.630 2.560 2.507 2.650 . 0 0 "[ . 1 . 2]" 1
1019 1 20 ILE HB 1 21 ASN H . . 5.310 2.670 2.584 2.832 . 0 0 "[ . 1 . 2]" 1
1020 1 19 CYS HA 1 20 ILE HB . . 5.410 5.412 5.290 5.440 0.030 20 0 "[ . 1 . 2]" 1
1021 1 20 ILE HB 1 27 GLU HG3 . . 5.330 4.906 4.525 5.179 . 0 0 "[ . 1 . 2]" 1
1022 1 84 CYS QB 1 95 CYS HB3 . . 5.500 2.962 2.011 4.745 . 0 0 "[ . 1 . 2]" 1
1023 1 82 ASP HB3 1 85 ALA MB . . 4.950 4.052 2.406 5.004 0.054 3 0 "[ . 1 . 2]" 1
1024 1 3 VAL HA 1 4 ASP HB2 . . 4.840 4.306 4.234 4.436 . 0 0 "[ . 1 . 2]" 1
1025 1 4 ASP HB2 1 8 LEU QD . . 5.110 4.724 4.523 5.015 . 0 0 "[ . 1 . 2]" 1
1026 1 11 ASN HB3 1 13 CYS H . . 4.990 4.672 4.141 5.236 0.246 18 0 "[ . 1 . 2]" 1
1027 1 13 CYS HB2 1 17 GLY HA3 . . 5.030 3.294 2.081 3.670 . 0 0 "[ . 1 . 2]" 1
1028 1 21 ASN HB3 1 22 THR H . . 4.600 4.257 4.143 4.412 . 0 0 "[ . 1 . 2]" 1
1029 1 11 ASN HD21 1 13 CYS HB2 . . 4.520 3.035 2.196 3.938 . 0 0 "[ . 1 . 2]" 1
1030 1 54 ASP QB 1 55 ALA MB . . 5.130 3.730 3.345 4.494 . 0 0 "[ . 1 . 2]" 1
1031 1 21 ASN HB2 1 22 THR H . . 4.340 4.124 4.058 4.257 . 0 0 "[ . 1 . 2]" 1
1032 1 72 TYR QE 1 81 THR H . . 5.110 5.176 5.083 5.273 0.163 17 0 "[ . 1 . 2]" 1
1033 1 72 TYR HA 1 72 TYR QE . . 5.500 4.656 4.264 4.833 . 0 0 "[ . 1 . 2]" 1
1034 1 72 TYR QE 1 80 ASN HA . . 5.330 3.246 3.107 3.608 . 0 0 "[ . 1 . 2]" 1
1035 1 72 TYR QE 1 78 GLU HA . . 5.270 4.564 3.594 5.315 0.045 4 0 "[ . 1 . 2]" 1
1036 1 72 TYR QE 1 80 ASN HB3 . . 5.090 3.209 2.137 5.101 0.011 10 0 "[ . 1 . 2]" 1
1037 1 72 TYR QE 1 80 ASN HB2 . . 4.960 3.353 1.986 4.372 . 0 0 "[ . 1 . 2]" 1
1038 1 5 GLU HG2 1 26 PHE QD . . 5.390 3.769 3.608 3.983 . 0 0 "[ . 1 . 2]" 1
1039 1 5 GLU HG2 1 8 LEU QD . . 4.650 3.272 2.932 3.597 . 0 0 "[ . 1 . 2]" 1
1040 1 5 GLU HG3 1 26 PHE QD . . 5.320 4.488 4.362 4.658 . 0 0 "[ . 1 . 2]" 1
1041 1 30 CYS HB2 1 34 TYR HB3 . . 5.220 3.971 2.738 5.225 0.005 15 0 "[ . 1 . 2]" 1
1042 1 3 VAL HA 1 5 GLU HG3 . . 5.760 5.531 5.303 5.788 0.028 13 0 "[ . 1 . 2]" 1
1043 1 92 ASN HB2 1 93 GLY H . . 5.330 3.717 3.112 4.398 . 0 0 "[ . 1 . 2]" 1
1044 1 92 ASN HB2 1 107 PRO QG . . 5.190 4.504 2.088 5.023 . 0 0 "[ . 1 . 2]" 1
1045 1 49 ASN HB2 1 50 PRO HD3 . . 4.720 4.585 4.501 4.656 . 0 0 "[ . 1 . 2]" 1
1046 1 92 ASN HB3 1 107 PRO QG . . 4.790 4.349 2.039 4.881 0.091 16 0 "[ . 1 . 2]" 1
1047 1 44 ASN HB2 1 47 VAL HB . . 5.650 4.840 3.217 6.057 0.407 5 0 "[ . 1 . 2]" 1
1048 1 34 TYR QE 1 42 ASP H . . 5.370 3.618 3.023 3.851 . 0 0 "[ . 1 . 2]" 1
1049 1 34 TYR HA 1 34 TYR QE . . 5.500 4.471 4.401 4.524 . 0 0 "[ . 1 . 2]" 1
1050 1 34 TYR QE 1 42 ASP HA . . 5.290 3.780 3.635 3.886 . 0 0 "[ . 1 . 2]" 1
1051 1 34 TYR QE 1 42 ASP HB3 . . 5.240 3.560 2.648 4.007 . 0 0 "[ . 1 . 2]" 1
1052 1 34 TYR QE 1 42 ASP HB2 . . 4.800 2.691 2.422 2.843 . 0 0 "[ . 1 . 2]" 1
1053 1 31 LEU HG 1 34 TYR QE . . 5.360 4.512 4.135 5.336 . 0 0 "[ . 1 . 2]" 1
1054 1 31 LEU QD 1 34 TYR QE . . 5.220 3.338 1.933 4.597 . 0 0 "[ . 1 . 2]" 1
1055 1 69 MET HB2 1 71 GLY H . . 4.430 3.787 3.429 4.322 . 0 0 "[ . 1 . 2]" 1
1056 1 105 GLU H 1 105 GLU HG3 . . 4.610 2.759 2.337 3.951 . 0 0 "[ . 1 . 2]" 1
1057 1 14 GLU QG 1 15 HIS H . . 4.480 3.791 3.537 4.000 . 0 0 "[ . 1 . 2]" 1
1058 1 94 ARG H 1 105 GLU HG3 . . 4.820 2.751 1.929 4.831 0.011 20 0 "[ . 1 . 2]" 1
1059 1 69 MET HB2 1 71 GLY HA3 . . 4.600 4.519 4.259 4.829 0.229 4 0 "[ . 1 . 2]" 1
1060 1 94 ARG HB3 1 105 GLU HG3 . . 4.580 2.759 1.987 3.936 . 0 0 "[ . 1 . 2]" 1
1061 1 96 LEU QD 1 105 GLU HG3 . . 4.010 3.328 1.904 3.876 . 0 0 "[ . 1 . 2]" 1
1062 1 105 GLU H 1 105 GLU HG2 . . 4.570 2.532 1.929 3.240 . 0 0 "[ . 1 . 2]" 1
1063 1 94 ARG H 1 105 GLU HG2 . . 4.640 3.724 2.852 4.667 0.027 8 0 "[ . 1 . 2]" 1
1064 1 14 GLU QG 1 41 ILE HA . . 4.660 3.552 2.815 4.283 . 0 0 "[ . 1 . 2]" 1
1065 1 94 ARG HB3 1 105 GLU HG2 . . 4.110 2.828 1.989 4.161 0.051 8 0 "[ . 1 . 2]" 1
1066 1 96 LEU QD 1 105 GLU HG2 . . 3.980 2.401 1.995 3.121 . 0 0 "[ . 1 . 2]" 1
1067 1 66 CYS HA 1 67 ILE HB . . 5.150 4.417 4.221 4.734 . 0 0 "[ . 1 . 2]" 1
1068 1 67 ILE HA 1 68 CYS QB . . 5.270 4.462 3.895 4.818 . 0 0 "[ . 1 . 2]" 1
1069 1 68 CYS QB 1 69 MET HG3 . . 5.500 5.027 4.293 6.232 0.732 20 2 "[ . - . +]" 1
1070 1 78 GLU HG3 1 79 VAL QG . . 4.820 3.836 2.009 5.440 0.620 2 3 "[ + . -* . 2]" 1
1071 1 6 CYS HB3 1 19 CYS QB . . 5.020 3.010 1.949 3.843 . 0 0 "[ . 1 . 2]" 1
1072 1 26 PHE QD 1 40 GLU QG . . 5.010 4.892 3.840 5.093 0.083 14 0 "[ . 1 . 2]" 1
1073 1 32 GLN QG 1 33 GLY H . . 4.150 3.805 3.757 3.835 . 0 0 "[ . 1 . 2]" 1
1074 1 32 GLN H 1 32 GLN QG . . 3.650 3.190 2.909 3.484 . 0 0 "[ . 1 . 2]" 1
1075 1 1 GLN HE21 1 1 GLN HG3 . . 3.650 2.553 2.103 3.533 . 0 0 "[ . 1 . 2]" 1
1076 1 18 LYS HB3 1 29 GLN QG . . 3.640 2.024 1.958 2.401 . 0 0 "[ . 1 . 2]" 1
1077 1 60 GLN QG 1 61 ILE HG13 . . 4.560 3.670 3.089 4.679 0.119 20 0 "[ . 1 . 2]" 1
1078 1 20 ILE MG 1 29 GLN QG . . 4.420 4.206 3.887 4.325 . 0 0 "[ . 1 . 2]" 1
1079 1 21 ASN H 1 27 GLU HB3 . . 4.620 4.708 4.648 4.756 0.136 6 0 "[ . 1 . 2]" 1
1080 1 88 PRO HG3 1 90 LEU QD . . 5.280 4.196 3.222 5.050 . 0 0 "[ . 1 . 2]" 1
1081 1 41 ILE MG 1 43 VAL HB . . 3.970 4.074 3.840 4.238 0.268 12 0 "[ . 1 . 2]" 1
1082 1 107 PRO HB2 1 110 PHE QD . . 5.110 2.454 1.987 3.588 . 0 0 "[ . 1 . 2]" 1
1083 1 106 CYS HA 1 107 PRO HB2 . . 5.420 5.530 5.472 5.578 0.158 4 0 "[ . 1 . 2]" 1
1084 1 75 VAL H 1 75 VAL HB . . 3.800 2.056 1.976 2.103 . 0 0 "[ . 1 . 2]" 1
1085 1 75 VAL HB 1 76 HIS H . . 4.430 3.556 3.248 3.738 . 0 0 "[ . 1 . 2]" 1
1086 1 74 GLY HA2 1 75 VAL HB . . 4.550 4.427 4.282 4.678 0.128 4 0 "[ . 1 . 2]" 1
1087 1 74 GLY HA3 1 75 VAL HB . . 4.470 4.562 4.407 4.693 0.223 14 0 "[ . 1 . 2]" 1
1088 1 12 PRO HB2 1 41 ILE HG12 . . 4.160 4.353 3.514 4.890 0.730 11 8 "[ ** * 1+* *. * -]" 1
1089 1 12 PRO HB2 1 40 GLU HB2 . . 4.310 1.935 1.731 2.142 . 0 0 "[ . 1 . 2]" 1
1090 1 22 THR HB 1 23 LEU H . . 4.260 2.661 2.540 2.802 . 0 0 "[ . 1 . 2]" 1
1091 1 22 THR HB 1 23 LEU HB2 . . 4.560 4.476 4.390 4.572 0.012 5 0 "[ . 1 . 2]" 1
1092 1 56 THR HB 1 67 ILE H . . 5.060 2.978 2.477 3.744 . 0 0 "[ . 1 . 2]" 1
1093 1 56 THR HB 1 67 ILE HB . . 4.170 2.297 1.995 3.161 . 0 0 "[ . 1 . 2]" 1
1094 1 55 ALA MB 1 56 THR HB . . 5.090 4.851 4.559 5.116 0.026 8 0 "[ . 1 . 2]" 1
1095 1 56 THR HB 1 57 CYS H . . 5.070 4.556 3.965 4.690 . 0 0 "[ . 1 . 2]" 1
1096 1 14 GLU H 1 40 GLU HB2 . . 5.120 5.134 4.824 5.424 0.304 17 0 "[ . 1 . 2]" 1
1097 1 36 GLY HA3 1 40 GLU HB2 . . 5.140 5.082 4.563 5.306 0.166 11 0 "[ . 1 . 2]" 1
1098 1 96 LEU HB2 1 105 GLU QB . . 4.120 3.910 3.136 4.075 . 0 0 "[ . 1 . 2]" 1
1099 1 35 THR HB 1 36 GLY H . . 4.790 3.337 3.330 3.348 . 0 0 "[ . 1 . 2]" 1
1100 1 105 GLU QB 1 106 CYS H . . 5.050 2.240 1.787 3.792 . 0 0 "[ . 1 . 2]" 1
1101 1 94 ARG H 1 105 GLU QB . . 5.270 3.867 2.241 4.645 . 0 0 "[ . 1 . 2]" 1
1102 1 104 CYS HA 1 105 GLU QB . . 5.280 4.526 4.153 4.702 . 0 0 "[ . 1 . 2]" 1
1103 1 96 LEU QD 1 105 GLU QB . . 4.470 2.821 1.945 3.469 . 0 0 "[ . 1 . 2]" 1
1104 1 81 THR HB 1 82 ASP H . . 5.500 3.947 3.439 4.366 . 0 0 "[ . 1 . 2]" 1
1105 1 37 PRO HA 1 38 ARG QG . . 5.500 4.461 4.203 5.011 . 0 0 "[ . 1 . 2]" 1
1106 1 108 THR HB 1 109 GLY H . . 4.980 4.027 2.569 4.725 . 0 0 "[ . 1 . 2]" 1
1107 1 108 THR H 1 108 THR HB . . 3.990 3.220 2.897 3.558 . 0 0 "[ . 1 . 2]" 1
1108 1 20 ILE HG12 1 27 GLU HG2 . . 4.800 2.098 1.972 3.843 . 0 0 "[ . 1 . 2]" 1
1109 1 18 LYS QD 1 19 CYS H . . 4.470 3.175 1.977 4.169 . 0 0 "[ . 1 . 2]" 1
1110 1 18 LYS HA 1 18 LYS QD . . 4.430 2.759 2.400 3.915 . 0 0 "[ . 1 . 2]" 1
1111 1 52 GLN HG3 1 76 HIS HB3 . . 5.180 3.665 1.986 5.795 0.615 14 1 "[ . 1 +. 2]" 1
1112 1 75 VAL MG1 1 76 HIS HB3 . . 5.500 3.697 2.756 4.194 . 0 0 "[ . 1 . 2]" 1
1113 1 52 GLN HG3 1 76 HIS HB2 . . 5.500 4.399 2.029 6.394 0.894 14 1 "[ . 1 +. 2]" 1
1114 1 27 GLU HG2 1 29 GLN H . . 4.430 4.344 4.109 4.483 0.053 17 0 "[ . 1 . 2]" 1
1115 1 98 LYS HA 1 98 LYS HD2 . . 4.640 3.839 2.183 4.972 0.332 5 0 "[ . 1 . 2]" 1
1116 1 98 LYS HD3 1 103 GLN QB . . 4.520 4.060 2.308 5.015 0.495 12 0 "[ . 1 . 2]" 1
1117 1 5 GLU HB2 1 8 LEU QD . . 5.230 4.014 3.845 4.160 . 0 0 "[ . 1 . 2]" 1
1118 1 27 GLU HG3 1 29 GLN H . . 4.510 4.448 4.342 4.566 0.056 11 0 "[ . 1 . 2]" 1
1119 1 20 ILE MD 1 27 GLU HG3 . . 4.310 4.348 4.258 4.421 0.111 8 0 "[ . 1 . 2]" 1
1120 1 31 LEU HA 1 32 GLN HB2 . . 4.580 4.406 4.160 4.636 0.056 18 0 "[ . 1 . 2]" 1
1121 1 98 LYS HG2 1 99 ILE H . . 5.500 4.316 3.250 4.971 . 0 0 "[ . 1 . 2]" 1
1122 1 98 LYS HG3 1 103 GLN QB . . 4.640 3.173 2.402 4.481 . 0 0 "[ . 1 . 2]" 1
1123 1 31 LEU HG 1 32 GLN HB2 . . 5.460 5.137 4.476 5.473 0.013 2 0 "[ . 1 . 2]" 1
1124 1 5 GLU HB3 1 8 LEU QD . . 5.430 3.432 2.935 3.581 . 0 0 "[ . 1 . 2]" 1
1125 1 83 GLU HB2 1 102 PHE QD . . 5.400 3.640 2.112 5.350 . 0 0 "[ . 1 . 2]" 1
1126 1 107 PRO QG 1 110 PHE QD . . 4.770 2.717 1.985 3.838 . 0 0 "[ . 1 . 2]" 1
1127 1 36 GLY HA2 1 37 PRO HG3 . . 5.390 4.283 4.254 4.332 . 0 0 "[ . 1 . 2]" 1
1128 1 92 ASN HA 1 107 PRO QG . . 5.240 2.805 2.075 4.150 . 0 0 "[ . 1 . 2]" 1
1129 1 41 ILE H 1 41 ILE HG12 . . 4.690 3.978 2.830 4.805 0.115 18 0 "[ . 1 . 2]" 1
1130 1 90 LEU H 1 90 LEU HG . . 4.800 3.888 2.513 4.988 0.188 1 0 "[ . 1 . 2]" 1
1131 1 23 LEU HG 1 24 GLY H . . 4.740 4.520 4.401 4.579 . 0 0 "[ . 1 . 2]" 1
1132 1 23 LEU H 1 23 LEU HG . . 4.340 3.299 3.233 3.352 . 0 0 "[ . 1 . 2]" 1
1133 1 22 THR HA 1 23 LEU HG . . 4.580 4.619 4.600 4.646 0.066 17 0 "[ . 1 . 2]" 1
1134 1 61 ILE H 1 61 ILE HG13 . . 4.580 1.732 1.709 1.750 . 0 0 "[ . 1 . 2]" 1
1135 1 20 ILE H 1 20 ILE HG13 . . 4.780 3.451 2.316 3.580 . 0 0 "[ . 1 . 2]" 1
1136 1 20 ILE HG13 1 29 GLN QG . . 4.640 3.030 2.743 3.224 . 0 0 "[ . 1 . 2]" 1
1137 1 20 ILE HG13 1 27 GLU HG2 . . 4.770 2.282 2.115 2.439 . 0 0 "[ . 1 . 2]" 1
1138 1 20 ILE HG13 1 20 ILE MG . . 3.640 2.531 2.439 3.192 . 0 0 "[ . 1 . 2]" 1
1139 1 11 ASN HA 1 12 PRO HG3 . . 5.500 4.334 4.268 4.359 . 0 0 "[ . 1 . 2]" 1
1140 1 20 ILE H 1 20 ILE HG12 . . 4.900 1.955 1.873 2.343 . 0 0 "[ . 1 . 2]" 1
1141 1 20 ILE HG12 1 21 ASN H . . 5.010 4.725 4.659 4.908 . 0 0 "[ . 1 . 2]" 1
1142 1 20 ILE HG12 1 29 GLN QG . . 4.650 3.330 3.008 3.551 . 0 0 "[ . 1 . 2]" 1
1143 1 74 GLY H 1 75 VAL HA . . 5.420 5.012 4.938 5.067 . 0 0 "[ . 1 . 2]" 1
1144 1 75 VAL HA 1 77 CYS H . . 5.330 3.907 3.638 4.210 . 0 0 "[ . 1 . 2]" 1
1145 1 75 VAL HA 1 76 HIS HD2 . . 5.280 5.082 4.556 5.394 0.114 16 0 "[ . 1 . 2]" 1
1146 1 8 LEU HG 1 9 GLY H . . 5.250 4.437 3.544 4.650 . 0 0 "[ . 1 . 2]" 1
1147 1 5 GLU HA 1 8 LEU HG . . 4.740 3.347 1.819 3.988 . 0 0 "[ . 1 . 2]" 1
1148 1 56 THR HB 1 67 ILE QG . . 5.500 3.751 3.076 4.705 . 0 0 "[ . 1 . 2]" 1
1149 1 66 CYS HA 1 67 ILE QG . . 5.490 4.108 3.337 4.690 . 0 0 "[ . 1 . 2]" 1
1150 1 58 LEU HG 1 67 ILE QG . . 4.720 4.176 3.311 4.549 . 0 0 "[ . 1 . 2]" 1
1151 1 75 VAL HA 1 76 HIS HA . . 5.380 4.541 4.533 4.571 . 0 0 "[ . 1 . 2]" 1
1152 1 74 GLY HA2 1 75 VAL HA . . 5.140 4.324 4.306 4.354 . 0 0 "[ . 1 . 2]" 1
1153 1 31 LEU H 1 31 LEU QD . . 4.020 2.933 1.677 3.631 . 0 0 "[ . 1 . 2]" 1
1154 1 31 LEU QD 1 32 GLN H . . 3.850 2.763 1.917 3.560 . 0 0 "[ . 1 . 2]" 1
1155 1 31 LEU HA 1 31 LEU QD . . 3.590 2.329 1.876 3.063 . 0 0 "[ . 1 . 2]" 1
1156 1 5 GLU HA 1 8 LEU QD . . 3.840 1.813 1.718 2.161 . 0 0 "[ . 1 . 2]" 1
1157 1 8 LEU HA 1 8 LEU QD . . 3.400 2.568 2.073 2.878 . 0 0 "[ . 1 . 2]" 1
1158 1 4 ASP HB3 1 8 LEU QD . . 3.930 3.765 3.403 3.988 0.058 13 0 "[ . 1 . 2]" 1
1159 1 5 GLU HG3 1 8 LEU QD . . 3.960 2.418 1.983 3.168 . 0 0 "[ . 1 . 2]" 1
1160 1 108 THR HA 1 110 PHE H . . 5.150 4.230 3.540 5.312 0.162 4 0 "[ . 1 . 2]" 1
1161 1 79 VAL QG 1 81 THR HA . . 5.210 3.989 3.396 4.709 . 0 0 "[ . 1 . 2]" 1
1162 1 18 LYS HG2 1 19 CYS H . . 4.900 3.811 2.563 4.358 . 0 0 "[ . 1 . 2]" 1
1163 1 58 LEU MD1 1 65 GLN QG . . 3.460 2.822 2.507 3.436 . 0 0 "[ . 1 . 2]" 1
1164 1 58 LEU HB2 1 58 LEU MD1 . . 3.420 2.514 2.335 2.666 . 0 0 "[ . 1 . 2]" 1
1165 1 107 PRO HA 1 108 THR HA . . 5.420 4.513 4.293 4.627 . 0 0 "[ . 1 . 2]" 1
1166 1 4 ASP HB2 1 7 SER HB2 . . 5.130 3.530 3.139 3.984 . 0 0 "[ . 1 . 2]" 1
1167 1 4 ASP HB3 1 7 SER HB2 . . 5.350 2.421 1.924 3.128 . 0 0 "[ . 1 . 2]" 1
1168 1 7 SER HB2 1 8 LEU HG . . 5.500 5.407 5.052 5.608 0.108 8 0 "[ . 1 . 2]" 1
1169 1 7 SER HB2 1 8 LEU QD . . 5.500 4.948 3.925 5.282 . 0 0 "[ . 1 . 2]" 1
1170 1 7 SER HB3 1 8 LEU QD . . 5.500 3.888 2.487 4.573 . 0 0 "[ . 1 . 2]" 1
1171 1 4 ASP HB2 1 7 SER HB3 . . 5.070 3.687 3.547 4.236 . 0 0 "[ . 1 . 2]" 1
1172 1 18 LYS HG3 1 19 CYS H . . 4.880 3.677 2.292 5.023 0.143 9 0 "[ . 1 . 2]" 1
1173 1 18 LYS HG3 1 20 ILE MD . . 4.770 3.008 2.325 4.109 . 0 0 "[ . 1 . 2]" 1
1174 1 23 LEU HA 1 23 LEU MD2 . . 3.500 2.222 1.995 2.420 . 0 0 "[ . 1 . 2]" 1
1175 1 4 ASP HB3 1 7 SER HB3 . . 5.460 2.084 1.936 2.700 . 0 0 "[ . 1 . 2]" 1
1176 1 7 SER HB3 1 8 LEU HG . . 5.500 3.931 3.574 4.602 . 0 0 "[ . 1 . 2]" 1
1177 1 98 LYS HB2 1 103 GLN QB . . 4.540 4.213 3.305 4.456 . 0 0 "[ . 1 . 2]" 1
1178 1 12 PRO HA 1 14 GLU HA . . 4.480 4.479 4.280 4.690 0.210 11 0 "[ . 1 . 2]" 1
1179 1 11 ASN HB3 1 12 PRO HA . . 5.370 4.936 4.792 5.493 0.123 18 0 "[ . 1 . 2]" 1
1180 1 49 ASN HB2 1 50 PRO HA . . 5.480 4.650 4.593 4.700 . 0 0 "[ . 1 . 2]" 1
1181 1 88 PRO HA 1 89 CYS HA . . 5.500 4.991 4.386 5.203 . 0 0 "[ . 1 . 2]" 1
1182 1 88 PRO HA 1 89 CYS QB . . 5.500 4.359 3.739 4.995 . 0 0 "[ . 1 . 2]" 1
1183 1 88 PRO HA 1 90 LEU QD . . 5.500 4.748 3.832 5.432 . 0 0 "[ . 1 . 2]" 1
1184 1 43 VAL HA 1 44 ASN HB3 . . 5.260 4.825 4.645 5.231 . 0 0 "[ . 1 . 2]" 1
1185 1 43 VAL HA 1 44 ASN HB2 . . 5.360 4.389 4.186 4.523 . 0 0 "[ . 1 . 2]" 1
1186 1 55 ALA MB 1 67 ILE H . . 4.730 3.714 3.328 4.036 . 0 0 "[ . 1 . 2]" 1
1187 1 54 ASP H 1 55 ALA MB . . 4.570 3.714 3.268 4.423 . 0 0 "[ . 1 . 2]" 1
1188 1 55 ALA MB 1 56 THR H . . 4.170 3.129 2.570 3.419 . 0 0 "[ . 1 . 2]" 1
1189 1 55 ALA MB 1 66 CYS HA . . 4.790 3.782 3.252 4.509 . 0 0 "[ . 1 . 2]" 1
1190 1 55 ALA MB 1 68 CYS HA . . 4.280 3.008 2.169 3.816 . 0 0 "[ . 1 . 2]" 1
1191 1 55 ALA MB 1 68 CYS QB . . 5.060 3.397 1.930 4.731 . 0 0 "[ . 1 . 2]" 1
1192 1 55 ALA MB 1 77 CYS QB . . 4.460 2.586 1.963 3.413 . 0 0 "[ . 1 . 2]" 1
1193 1 55 ALA MB 1 66 CYS HB2 . . 4.000 2.048 1.758 2.600 . 0 0 "[ . 1 . 2]" 1
1194 1 58 LEU MD2 1 59 ASP H . . 3.910 3.552 3.163 3.741 . 0 0 "[ . 1 . 2]" 1
1195 1 58 LEU HA 1 58 LEU MD2 . . 3.720 1.890 1.760 2.053 . 0 0 "[ . 1 . 2]" 1
1196 1 22 THR HB 1 25 SER QB . . 3.810 3.722 3.610 3.821 0.011 17 0 "[ . 1 . 2]" 1
1197 1 56 THR HA 1 57 CYS HB2 . . 5.170 5.194 4.615 5.520 0.350 1 0 "[ . 1 . 2]" 1
1198 1 56 THR HA 1 57 CYS HB3 . . 5.330 4.220 3.986 4.522 . 0 0 "[ . 1 . 2]" 1
1199 1 56 THR HA 1 67 ILE HB . . 5.500 5.028 4.498 5.305 . 0 0 "[ . 1 . 2]" 1
1200 1 56 THR HA 1 66 CYS HB2 . . 5.500 5.246 4.666 5.552 0.052 18 0 "[ . 1 . 2]" 1
1201 1 9 GLY HA2 1 10 ALA MB . . 4.920 4.657 4.574 4.921 0.001 8 0 "[ . 1 . 2]" 1
1202 1 10 ALA HA 1 11 ASN HB3 . . 5.130 5.087 4.646 5.293 0.163 13 0 "[ . 1 . 2]" 1
1203 1 10 ALA H 1 10 ALA MB . . 3.450 2.473 2.151 2.502 . 0 0 "[ . 1 . 2]" 1
1204 1 10 ALA MB 1 11 ASN H . . 4.200 3.721 3.647 3.756 . 0 0 "[ . 1 . 2]" 1
1205 1 10 ALA MB 1 11 ASN HB2 . . 5.190 5.173 5.039 5.374 0.184 8 0 "[ . 1 . 2]" 1
1206 1 10 ALA MB 1 12 PRO HD3 . . 4.170 3.899 3.654 4.184 0.014 6 0 "[ . 1 . 2]" 1
1207 1 9 GLY HA3 1 10 ALA MB . . 4.220 4.388 4.307 4.468 0.248 11 0 "[ . 1 . 2]" 1
1208 1 20 ILE HG13 1 21 ASN H . . 4.950 4.956 4.882 4.996 0.046 5 0 "[ . 1 . 2]" 1
1209 1 29 GLN HA 1 30 CYS HB2 . . 5.040 5.054 4.327 5.762 0.722 18 9 "[* **. -* * . *+*2]" 1
1210 1 32 GLN HA 1 32 GLN QG . . 3.440 2.340 1.972 2.992 . 0 0 "[ . 1 . 2]" 1
1211 1 1 GLN HA 1 1 GLN HG2 . . 3.690 2.585 1.999 3.642 . 0 0 "[ . 1 . 2]" 1
1212 1 70 PRO HA 1 71 GLY HA3 . . 5.260 4.623 4.458 4.721 . 0 0 "[ . 1 . 2]" 1
1213 1 22 THR H 1 22 THR MG . . 3.900 3.503 3.439 3.568 . 0 0 "[ . 1 . 2]" 1
1214 1 22 THR MG 1 23 LEU H . . 3.810 3.038 2.886 3.156 . 0 0 "[ . 1 . 2]" 1
1215 1 22 THR MG 1 26 PHE HA . . 3.900 3.919 3.856 4.016 0.116 16 0 "[ . 1 . 2]" 1
1216 1 11 ASN HA 1 26 PHE QE . . 5.300 4.537 3.790 5.467 0.167 17 0 "[ . 1 . 2]" 1
1217 1 12 PRO HA 1 26 PHE QE . . 5.210 5.217 4.684 5.445 0.235 8 0 "[ . 1 . 2]" 1
1218 1 9 GLY HA2 1 10 ALA HA . . 4.860 4.463 4.429 4.663 . 0 0 "[ . 1 . 2]" 1
1219 1 9 GLY HA3 1 10 ALA HA . . 4.990 4.555 4.426 4.569 . 0 0 "[ . 1 . 2]" 1
1220 1 8 LEU HB3 1 9 GLY HA2 . . 5.250 4.858 4.505 5.689 0.439 8 0 "[ . 1 . 2]" 1
1221 1 8 LEU HB3 1 9 GLY HA3 . . 5.290 4.143 3.854 4.881 . 0 0 "[ . 1 . 2]" 1
1222 1 3 VAL MG1 1 4 ASP HA . . 5.190 3.800 3.700 3.961 . 0 0 "[ . 1 . 2]" 1
1223 1 4 ASP HB2 1 5 GLU H . . 5.380 4.717 4.698 4.729 . 0 0 "[ . 1 . 2]" 1
1224 1 6 CYS H 1 8 LEU QD . . 4.120 4.095 3.952 4.169 0.049 17 0 "[ . 1 . 2]" 1
1225 1 20 ILE HG13 1 29 GLN HE21 . . 5.140 3.301 2.376 4.140 . 0 0 "[ . 1 . 2]" 1
1226 1 20 ILE HG12 1 29 GLN HE21 . . 5.240 4.335 3.572 4.829 . 0 0 "[ . 1 . 2]" 1
1227 1 23 LEU H 1 23 LEU MD1 . . 3.770 3.689 3.487 3.775 0.005 7 0 "[ . 1 . 2]" 1
1228 1 23 LEU MD2 1 24 GLY H . . 3.810 2.904 2.685 3.073 . 0 0 "[ . 1 . 2]" 1
1229 1 2 ASP HA 1 23 LEU MD2 . . 3.750 3.631 3.420 3.808 0.058 1 0 "[ . 1 . 2]" 1
1230 1 2 ASP HB3 1 23 LEU MD2 . . 3.780 3.330 2.307 3.753 . 0 0 "[ . 1 . 2]" 1
1231 1 2 ASP HB2 1 23 LEU MD2 . . 3.730 2.048 1.816 2.245 . 0 0 "[ . 1 . 2]" 1
1232 1 52 GLN H 1 52 GLN HG3 . . 4.560 3.925 3.078 4.498 . 0 0 "[ . 1 . 2]" 1
1233 1 55 ALA HA 1 67 ILE H . . 5.380 4.322 3.997 4.893 . 0 0 "[ . 1 . 2]" 1
1234 1 56 THR MG 1 67 ILE H . . 4.480 3.702 2.189 4.299 . 0 0 "[ . 1 . 2]" 1
1235 1 56 THR MG 1 57 CYS H . . 4.070 3.145 2.136 3.684 . 0 0 "[ . 1 . 2]" 1
1236 1 56 THR H 1 56 THR MG . . 4.320 3.610 2.836 3.698 . 0 0 "[ . 1 . 2]" 1
1237 1 56 THR MG 1 67 ILE HB . . 4.220 3.439 1.999 4.072 . 0 0 "[ . 1 . 2]" 1
1238 1 58 LEU HG 1 67 ILE HB . . 5.050 4.899 4.117 5.123 0.073 19 0 "[ . 1 . 2]" 1
1239 1 58 LEU HG 1 65 GLN QG . . 5.210 3.916 3.453 5.105 . 0 0 "[ . 1 . 2]" 1
1240 1 58 LEU MD1 1 60 GLN HE21 . . 3.770 3.803 3.729 3.894 0.124 13 0 "[ . 1 . 2]" 1
1241 1 58 LEU MD1 1 60 GLN HE22 . . 3.720 3.093 2.464 3.633 . 0 0 "[ . 1 . 2]" 1
1242 1 58 LEU HA 1 58 LEU MD1 . . 3.760 3.727 3.635 3.826 0.066 17 0 "[ . 1 . 2]" 1
1243 1 63 GLU HG3 1 64 PHE HA . . 5.190 3.891 3.385 4.361 . 0 0 "[ . 1 . 2]" 1
1244 1 60 GLN HB3 1 64 PHE HA . . 5.260 4.389 3.891 5.047 . 0 0 "[ . 1 . 2]" 1
1245 1 8 LEU QD 1 10 ALA H . . 6.500 4.595 4.124 4.763 . 0 0 "[ . 1 . 2]" 1
1246 1 3 VAL HB 1 5 GLU H . . 5.220 5.437 5.354 5.552 0.332 17 0 "[ . 1 . 2]" 1
1247 1 6 CYS HB3 1 8 LEU H . . 5.200 5.317 5.183 5.472 0.272 3 0 "[ . 1 . 2]" 1
1248 1 72 TYR QD 1 99 ILE MG . . 3.420 3.492 3.403 3.867 0.447 7 0 "[ . 1 . 2]" 1
1249 1 45 GLU H 1 46 CYS HA . . 5.270 4.992 4.493 5.182 . 0 0 "[ . 1 . 2]" 1
1250 1 44 ASN H 1 45 GLU H . . 5.460 4.173 3.985 4.527 . 0 0 "[ . 1 . 2]" 1
1251 1 45 GLU H 1 46 CYS QB . . 5.500 4.207 3.799 4.435 . 0 0 "[ . 1 . 2]" 1
1252 1 45 GLU H 1 64 PHE HB2 . . 5.360 4.390 3.762 5.057 . 0 0 "[ . 1 . 2]" 1
1253 1 44 ASN HB3 1 45 GLU H . . 5.140 4.432 3.787 4.548 . 0 0 "[ . 1 . 2]" 1
1254 1 44 ASN HB2 1 45 GLU H . . 4.940 4.600 4.438 4.696 . 0 0 "[ . 1 . 2]" 1
1255 1 45 GLU H 1 59 ASP HB2 . . 5.500 4.094 3.354 4.696 . 0 0 "[ . 1 . 2]" 1
1256 1 45 GLU H 1 45 GLU HG2 . . 5.050 2.574 1.844 4.348 . 0 0 "[ . 1 . 2]" 1
1257 1 45 GLU H 1 47 VAL QG . . 5.500 4.460 3.939 5.049 . 0 0 "[ . 1 . 2]" 1
1258 1 43 VAL QG 1 45 GLU H . . 4.910 3.377 2.852 4.114 . 0 0 "[ . 1 . 2]" 1
1259 1 45 GLU H 1 60 GLN H . . 5.500 4.981 4.281 5.288 . 0 0 "[ . 1 . 2]" 1
1260 1 44 ASN H 1 45 GLU HA . . 5.500 4.838 4.739 5.113 . 0 0 "[ . 1 . 2]" 1
1261 1 45 GLU H 1 47 VAL H . . 5.440 4.080 3.458 4.334 . 0 0 "[ . 1 . 2]" 1
1262 1 45 GLU HA 1 47 VAL H . . 5.380 3.227 3.095 3.509 . 0 0 "[ . 1 . 2]" 1
1263 1 45 GLU H 1 46 CYS H . . 4.940 2.500 1.864 2.736 . 0 0 "[ . 1 . 2]" 1
1264 1 45 GLU HG2 1 46 CYS H . . 5.500 3.564 2.499 5.664 0.164 11 0 "[ . 1 . 2]" 1
1265 1 45 GLU QB 1 46 CYS H . . 4.540 3.608 3.162 3.854 . 0 0 "[ . 1 . 2]" 1
1266 1 45 GLU HG2 1 63 GLU H . . 5.030 4.923 4.053 5.507 0.477 20 0 "[ . 1 . 2]" 1
1267 1 45 GLU HG3 1 64 PHE H . . 5.120 4.023 3.131 5.489 0.369 17 0 "[ . 1 . 2]" 1
1268 1 44 ASN HA 1 45 GLU HA . . 5.210 4.458 4.407 4.515 . 0 0 "[ . 1 . 2]" 1
1269 1 45 GLU HA 1 64 PHE QD . . 5.170 4.976 4.400 5.288 0.118 2 0 "[ . 1 . 2]" 1
1270 1 43 VAL QG 1 45 GLU HA . . 4.200 3.291 2.998 3.811 . 0 0 "[ . 1 . 2]" 1
1271 1 45 GLU H 1 59 ASP HA . . 4.930 4.468 3.679 4.944 0.014 12 0 "[ . 1 . 2]" 1
1272 1 59 ASP HA 1 64 PHE HA . . 4.830 2.652 1.978 3.138 . 0 0 "[ . 1 . 2]" 1
1273 1 45 GLU QB 1 64 PHE QD . . 4.440 2.530 1.809 3.379 . 0 0 "[ . 1 . 2]" 1
1274 1 45 GLU QB 1 64 PHE HB2 . . 5.190 4.066 3.126 5.170 . 0 0 "[ . 1 . 2]" 1
1275 1 45 GLU QB 1 64 PHE HB3 . . 5.500 2.870 1.743 3.896 . 0 0 "[ . 1 . 2]" 1
1276 1 46 CYS QB 1 60 GLN H . . 5.500 4.681 4.150 5.234 . 0 0 "[ . 1 . 2]" 1
1277 1 44 ASN H 1 46 CYS H . . 5.500 5.223 4.914 5.672 0.172 10 0 "[ . 1 . 2]" 1
1278 1 46 CYS H 1 47 VAL H . . 4.440 2.510 2.190 2.667 . 0 0 "[ . 1 . 2]" 1
1279 1 46 CYS QB 1 47 VAL H . . 5.060 3.825 3.376 4.055 . 0 0 "[ . 1 . 2]" 1
1280 1 44 ASN HB3 1 46 CYS H . . 5.420 4.138 3.723 4.495 . 0 0 "[ . 1 . 2]" 1
1281 1 46 CYS H 1 59 ASP HB2 . . 5.500 3.103 2.111 3.446 . 0 0 "[ . 1 . 2]" 1
1282 1 46 CYS H 1 60 GLN H . . 5.500 5.413 4.765 5.674 0.174 9 0 "[ . 1 . 2]" 1
1283 1 46 CYS H 1 48 SER H . . 5.500 4.594 4.157 4.992 . 0 0 "[ . 1 . 2]" 1
1284 1 44 ASN HD21 1 46 CYS H . . 5.500 4.904 4.520 5.281 . 0 0 "[ . 1 . 2]" 1
1285 1 46 CYS H 1 64 PHE QD . . 5.500 4.541 4.042 5.303 . 0 0 "[ . 1 . 2]" 1
1286 1 44 ASN HA 1 46 CYS H . . 4.740 3.291 3.152 3.579 . 0 0 "[ . 1 . 2]" 1
1287 1 46 CYS H 1 49 ASN HB2 . . 5.310 5.227 4.965 5.418 0.108 14 0 "[ . 1 . 2]" 1
1288 1 46 CYS H 1 59 ASP HB3 . . 5.010 4.759 3.340 5.073 0.063 1 0 "[ . 1 . 2]" 1
1289 1 46 CYS H 1 47 VAL QG . . 5.000 3.670 2.917 4.368 . 0 0 "[ . 1 . 2]" 1
1290 1 43 VAL QG 1 46 CYS H . . 5.500 4.801 4.532 5.285 . 0 0 "[ . 1 . 2]" 1
1291 1 46 CYS HA 1 59 ASP HB2 . . 5.390 5.087 3.530 5.486 0.096 18 0 "[ . 1 . 2]" 1
1292 1 46 CYS H 1 47 VAL HA . . 5.340 4.751 4.485 5.007 . 0 0 "[ . 1 . 2]" 1
1293 1 44 ASN H 1 47 VAL HB . . 5.480 5.012 4.023 5.949 0.469 19 0 "[ . 1 . 2]" 1
1294 1 44 ASN H 1 47 VAL QG . . 4.810 3.420 2.707 4.112 . 0 0 "[ . 1 . 2]" 1
1295 1 44 ASN H 1 47 VAL H . . 5.500 5.182 4.826 5.610 0.110 10 0 "[ . 1 . 2]" 1
1296 1 44 ASN HA 1 47 VAL H . . 5.470 4.596 4.362 4.842 . 0 0 "[ . 1 . 2]" 1
1297 1 44 ASN HB3 1 47 VAL H . . 5.130 3.680 3.138 3.942 . 0 0 "[ . 1 . 2]" 1
1298 1 47 VAL H 1 49 ASN HB2 . . 5.500 5.041 4.684 5.449 . 0 0 "[ . 1 . 2]" 1
1299 1 44 ASN HB2 1 47 VAL H . . 5.220 4.979 4.651 5.274 0.054 19 0 "[ . 1 . 2]" 1
1300 1 47 VAL H 1 47 VAL HB . . 3.800 2.834 1.985 3.696 . 0 0 "[ . 1 . 2]" 1
1301 1 47 VAL H 1 47 VAL QG . . 3.700 2.347 1.811 2.871 . 0 0 "[ . 1 . 2]" 1
1302 1 43 VAL QG 1 47 VAL H . . 5.500 4.693 4.413 5.386 . 0 0 "[ . 1 . 2]" 1
1303 1 47 VAL H 1 49 ASN HD21 . . 5.360 3.489 2.901 3.950 . 0 0 "[ . 1 . 2]" 1
1304 1 47 VAL H 1 49 ASN H . . 5.500 3.234 3.001 3.470 . 0 0 "[ . 1 . 2]" 1
1305 1 47 VAL HA 1 49 ASN H . . 4.940 4.061 3.900 4.219 . 0 0 "[ . 1 . 2]" 1
1306 1 47 VAL HB 1 49 ASN H . . 5.500 5.096 4.553 5.613 0.113 19 0 "[ . 1 . 2]" 1
1307 1 47 VAL H 1 48 SER H . . 4.820 2.383 1.905 2.701 . 0 0 "[ . 1 . 2]" 1
1308 1 47 VAL HB 1 48 SER H . . 4.730 3.589 2.949 4.192 . 0 0 "[ . 1 . 2]" 1
1309 1 47 VAL H 1 49 ASN HD22 . . 5.200 4.715 4.033 5.201 0.001 9 0 "[ . 1 . 2]" 1
1310 1 47 VAL QG 1 49 ASN HD21 . . 5.500 3.869 3.630 3.992 . 0 0 "[ . 1 . 2]" 1
1311 1 44 ASN HD21 1 47 VAL HB . . 5.500 4.696 3.674 5.560 0.060 1 0 "[ . 1 . 2]" 1
1312 1 44 ASN HD21 1 47 VAL QG . . 5.500 2.649 1.952 3.628 . 0 0 "[ . 1 . 2]" 1
1313 1 44 ASN HD22 1 47 VAL QG . . 5.500 2.906 2.329 3.621 . 0 0 "[ . 1 . 2]" 1
1314 1 43 VAL QG 1 47 VAL QG . . 4.340 3.301 2.648 4.034 . 0 0 "[ . 1 . 2]" 1
1315 1 47 VAL QG 1 48 SER H . . 3.830 1.995 1.803 2.205 . 0 0 "[ . 1 . 2]" 1
1316 1 47 VAL QG 1 48 SER HA . . 4.150 3.321 2.932 3.760 . 0 0 "[ . 1 . 2]" 1
1317 1 47 VAL HB 1 48 SER HA . . 5.070 5.056 4.743 5.565 0.495 10 0 "[ . 1 . 2]" 1
1318 1 44 ASN HA 1 47 VAL QG . . 5.500 4.006 3.635 4.513 . 0 0 "[ . 1 . 2]" 1
1319 1 47 VAL QG 1 50 PRO HD3 . . 5.260 4.493 4.148 4.790 . 0 0 "[ . 1 . 2]" 1
1320 1 44 ASN HB3 1 47 VAL HB . . 4.950 3.216 1.968 4.345 . 0 0 "[ . 1 . 2]" 1
1321 1 44 ASN HD22 1 47 VAL HA . . 5.260 4.328 3.312 5.133 . 0 0 "[ . 1 . 2]" 1
1322 1 47 VAL HA 1 48 SER HA . . 5.250 4.517 4.480 4.563 . 0 0 "[ . 1 . 2]" 1
1323 1 44 ASN HB3 1 47 VAL QG . . 3.920 1.864 1.667 2.337 . 0 0 "[ . 1 . 2]" 1
1324 1 44 ASN HB2 1 47 VAL QG . . 3.990 2.990 2.767 3.304 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 130.667
_Distance_constraint_stats_list.Viol_max 0.162
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0536
_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 18 LYS 0.972 0.083 13 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.644 0.082 7 0 "[ . 1 . 2]"
1 25 SER 0.644 0.082 7 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.972 0.083 13 0 "[ . 1 . 2]"
1 35 THR 4.213 0.162 4 0 "[ . 1 . 2]"
1 41 ILE 4.213 0.162 4 0 "[ . 1 . 2]"
1 56 THR 0.186 0.029 15 0 "[ . 1 . 2]"
1 58 LEU 0.023 0.012 3 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.023 0.012 3 0 "[ . 1 . 2]"
1 67 ILE 0.186 0.029 15 0 "[ . 1 . 2]"
1 73 GLU 0.106 0.084 4 0 "[ . 1 . 2]"
1 79 VAL 0.106 0.084 4 0 "[ . 1 . 2]"
1 94 ARG 0.251 0.052 19 0 "[ . 1 . 2]"
1 96 LEU 0.063 0.032 6 0 "[ . 1 . 2]"
1 98 LYS 0.075 0.037 8 0 "[ . 1 . 2]"
1 101 GLU 0.075 0.037 8 0 "[ . 1 . 2]"
1 103 GLN 0.063 0.032 6 0 "[ . 1 . 2]"
1 105 GLU 0.251 0.052 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 22 THR N 1 25 SER O . . 3.300 2.941 2.905 2.993 . 0 0 "[ . 1 . 2]" 2
2 1 22 THR H 1 25 SER O . . 2.300 2.332 2.293 2.382 0.082 7 0 "[ . 1 . 2]" 2
3 1 20 ILE O 1 27 GLU N . . 3.300 2.891 2.785 2.970 . 0 0 "[ . 1 . 2]" 2
4 1 20 ILE O 1 27 GLU H . . 2.300 2.066 1.888 2.258 . 0 0 "[ . 1 . 2]" 2
5 1 20 ILE N 1 27 GLU O . . 3.300 2.375 2.340 2.450 . 0 0 "[ . 1 . 2]" 2
6 1 20 ILE H 1 27 GLU O . . 2.300 1.440 1.366 1.535 . 0 0 "[ . 1 . 2]" 2
7 1 18 LYS O 1 29 GLN N . . 3.300 2.477 2.359 2.727 . 0 0 "[ . 1 . 2]" 2
8 1 18 LYS O 1 29 GLN H . . 2.300 1.729 1.466 2.037 . 0 0 "[ . 1 . 2]" 2
9 1 18 LYS N 1 29 GLN O . . 3.300 3.243 3.108 3.333 0.033 20 0 "[ . 1 . 2]" 2
10 1 18 LYS H 1 29 GLN O . . 2.300 2.343 2.309 2.383 0.083 13 0 "[ . 1 . 2]" 2
11 1 35 THR O 1 41 ILE N . . 3.300 3.396 3.346 3.452 0.152 18 0 "[ . 1 . 2]" 2
12 1 35 THR O 1 41 ILE H . . 2.300 2.414 2.362 2.462 0.162 4 0 "[ . 1 . 2]" 2
13 1 35 THR N 1 41 ILE O . . 3.300 2.097 2.020 2.189 . 0 0 "[ . 1 . 2]" 2
14 1 35 THR H 1 41 ILE O . . 2.300 1.360 1.274 1.472 . 0 0 "[ . 1 . 2]" 2
15 1 60 GLN N 1 63 GLU O . . 3.300 2.479 2.394 2.712 . 0 0 "[ . 1 . 2]" 2
16 1 60 GLN H 1 63 GLU O . . 2.300 1.693 1.507 1.774 . 0 0 "[ . 1 . 2]" 2
17 1 58 LEU O 1 65 GLN N . . 3.300 2.908 2.456 3.145 . 0 0 "[ . 1 . 2]" 2
18 1 58 LEU O 1 65 GLN H . . 2.300 2.008 1.457 2.312 0.012 3 0 "[ . 1 . 2]" 2
19 1 58 LEU N 1 65 GLN O . . 3.300 2.742 2.474 2.993 . 0 0 "[ . 1 . 2]" 2
20 1 58 LEU H 1 65 GLN O . . 2.300 2.122 1.721 2.311 0.011 5 0 "[ . 1 . 2]" 2
21 1 56 THR O 1 67 ILE N . . 3.300 3.122 2.627 3.215 . 0 0 "[ . 1 . 2]" 2
22 1 56 THR O 1 67 ILE H . . 2.300 2.241 1.675 2.329 0.029 15 0 "[ . 1 . 2]" 2
23 1 73 GLU O 1 79 VAL N . . 3.300 2.911 2.510 3.235 . 0 0 "[ . 1 . 2]" 2
24 1 73 GLU O 1 79 VAL H . . 2.300 2.035 1.619 2.384 0.084 4 0 "[ . 1 . 2]" 2
25 1 73 GLU N 1 79 VAL O . . 3.300 2.781 2.498 3.077 . 0 0 "[ . 1 . 2]" 2
26 1 73 GLU H 1 79 VAL O . . 2.300 1.863 1.602 2.144 . 0 0 "[ . 1 . 2]" 2
27 1 98 LYS N 1 101 GLU O . . 3.300 2.947 2.605 3.160 . 0 0 "[ . 1 . 2]" 2
28 1 98 LYS H 1 101 GLU O . . 2.300 2.159 1.877 2.337 0.037 8 0 "[ . 1 . 2]" 2
29 1 96 LEU O 1 103 GLN N . . 3.300 3.129 2.883 3.248 . 0 0 "[ . 1 . 2]" 2
30 1 96 LEU O 1 103 GLN H . . 2.300 2.247 1.966 2.332 0.032 6 0 "[ . 1 . 2]" 2
31 1 96 LEU N 1 103 GLN O . . 3.300 2.765 2.486 3.112 . 0 0 "[ . 1 . 2]" 2
32 1 96 LEU H 1 103 GLN O . . 2.300 1.909 1.549 2.307 0.007 10 0 "[ . 1 . 2]" 2
33 1 94 ARG O 1 105 GLU N . . 3.300 2.711 2.486 3.019 . 0 0 "[ . 1 . 2]" 2
34 1 94 ARG O 1 105 GLU H . . 2.300 1.951 1.641 2.286 . 0 0 "[ . 1 . 2]" 2
35 1 94 ARG N 1 105 GLU O . . 3.300 3.105 2.540 3.241 . 0 0 "[ . 1 . 2]" 2
36 1 94 ARG H 1 105 GLU O . . 2.300 2.240 1.551 2.352 0.052 19 0 "[ . 1 . 2]" 2
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