NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639477 |
6qjb   |
34354 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qjb
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 444
_Distance_constraint_stats_list.Viol_count 1625
_Distance_constraint_stats_list.Viol_total 13342.635
_Distance_constraint_stats_list.Viol_max 2.191
_Distance_constraint_stats_list.Viol_rms 0.2333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0751
_Distance_constraint_stats_list.Viol_average_violations_only 0.4105
_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 PHE 27.724 1.451 17 13 "[****** **- * .*+ *]"
1 2 ASP 30.477 0.921 5 18 "[** *+********** ***-]"
1 3 VAL 30.446 0.983 3 15 "[**+-** * *** *** **]"
1 4 VAL 63.771 0.969 19 20 [****-*************+*]
1 5 SER 29.660 1.491 20 15 "[-** *****1 ****** +]"
1 6 CYS 3.315 0.191 20 0 "[ . 1 . 2]"
1 7 ASN 16.888 1.004 9 15 "[*** ****+1 ***-** *]"
1 8 LYS 23.170 1.068 6 9 "[ **.+ **1* * . - *]"
1 9 ASN 22.622 1.020 14 12 "[ **.* * 1* -+** ***]"
1 10 CYS 77.110 1.920 7 19 "[ *****+**-**********]"
1 11 THR 81.321 1.920 7 20 [******+*********-***]
1 12 SER 3.875 1.012 8 3 "[- * + 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 15.319 1.132 8 12 "[* *****+ ** . - **]"
1 15 ASN 2.388 0.269 10 0 "[ . 1 . 2]"
1 16 GLU 17.814 1.068 6 9 "[ * .+**** * -* 2]"
1 17 CYS 28.921 0.541 4 3 "[ +. 1 .* -2]"
1 18 PRO 39.223 0.866 20 7 "[ *. *1* .** -+]"
1 19 GLU 7.795 0.301 4 0 "[ . 1 . 2]"
1 20 GLY 2.926 0.166 2 0 "[ . 1 . 2]"
1 21 CYS 15.061 0.462 4 0 "[ . 1 . 2]"
1 22 PHE 95.106 2.133 5 20 [****+****-**********]
1 23 CYS 0.316 0.316 6 0 "[ . 1 . 2]"
1 24 GLY 6.534 1.010 10 4 "[ * . + . - *]"
1 25 LEU 14.380 1.183 13 14 "[ * *.** ***+*** **-]"
1 26 LEU 20.426 1.054 7 8 "[ * ** + *1- . * *]"
1 27 GLY 4.254 0.419 4 0 "[ . 1 . 2]"
1 28 GLN 5.001 0.430 3 0 "[ . 1 . 2]"
1 29 ASN 20.516 1.412 18 10 "[ * *- * 1****. +*2]"
1 30 LYS 1.485 0.507 11 1 "[ . 1+ . 2]"
1 31 LYS 47.160 1.622 12 18 "[ ****** *-*+********]"
1 32 GLY 27.508 1.744 14 14 "[ * *.** ****+** **-]"
1 33 HIS 4.605 0.910 4 2 "[ +. 1 . *]"
1 34 CYS 33.329 1.222 10 14 "[ - *****+ * ******2]"
1 35 TYR 172.920 2.191 14 20 [-************+******]
1 36 LYS 65.709 1.091 3 20 [**+******-**********]
1 37 ILE 134.824 2.191 14 20 [*************+***-**]
1 38 ILE 101.943 1.676 3 20 [**+***-*************]
1 39 GLY 19.019 0.681 16 11 "[*** * -**1*** .+ 2]"
1 40 ASN 2.325 0.789 15 2 "[ - 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 1 PHE HA 1 1 PHE QD 3.500 . 4.500 2.325 2.221 2.556 . 0 0 "[ . 1 . 2]" 1
2 1 1 PHE HA 1 1 PHE QE 3.500 . 4.500 4.603 4.521 4.744 0.244 16 0 "[ . 1 . 2]" 1
3 1 1 PHE HA 1 37 ILE MG 3.500 . 4.500 3.897 3.561 4.456 . 0 0 "[ . 1 . 2]" 1
4 1 1 PHE HA 1 39 GLY QA 3.500 . 4.500 2.643 2.186 3.245 . 0 0 "[ . 1 . 2]" 1
5 1 1 PHE HA 1 40 ASN H 3.500 . 4.500 3.803 2.547 4.960 0.460 16 0 "[ . 1 . 2]" 1
6 1 1 PHE QB 1 1 PHE QE 3.500 . 4.500 3.982 3.953 4.004 . 0 0 "[ . 1 . 2]" 1
7 1 1 PHE QB 1 2 ASP H 3.500 . 4.500 3.943 3.775 4.040 . 0 0 "[ . 1 . 2]" 1
8 1 1 PHE QB 1 3 VAL QG 5.500 3.000 8.500 5.568 5.276 5.758 . 0 0 "[ . 1 . 2]" 1
9 1 1 PHE QB 1 37 ILE MD 5.500 3.000 8.500 5.735 5.241 6.315 . 0 0 "[ . 1 . 2]" 1
10 1 1 PHE QB 1 37 ILE MG 3.500 . 4.500 4.123 3.908 4.431 . 0 0 "[ . 1 . 2]" 1
11 1 1 PHE QD 1 2 ASP H 3.500 . 4.500 2.687 2.478 3.251 . 0 0 "[ . 1 . 2]" 1
12 1 1 PHE QD 1 2 ASP HA 3.500 . 4.500 4.148 3.984 4.290 . 0 0 "[ . 1 . 2]" 1
13 1 1 PHE QD 1 3 VAL H 5.500 3.000 8.500 5.001 4.760 5.317 . 0 0 "[ . 1 . 2]" 1
14 1 1 PHE QD 1 3 VAL HB 3.500 . 4.500 4.221 4.068 4.534 0.034 9 0 "[ . 1 . 2]" 1
15 1 1 PHE QD 1 3 VAL QG 3.500 . 4.500 4.401 4.134 4.594 0.094 2 0 "[ . 1 . 2]" 1
16 1 1 PHE QD 1 37 ILE MG 3.500 . 4.500 2.275 2.047 2.700 . 0 0 "[ . 1 . 2]" 1
17 1 1 PHE QD 1 38 ILE MD 3.500 . 4.500 4.736 4.412 5.212 0.712 17 3 "[ * 1 . + -]" 1
18 1 1 PHE QD 1 39 GLY QA 3.500 . 4.500 4.148 3.489 4.689 0.189 17 0 "[ . 1 . 2]" 1
19 1 1 PHE QE 1 2 ASP HA 3.500 . 4.500 4.736 4.477 4.942 0.442 3 0 "[ . 1 . 2]" 1
20 1 1 PHE QE 1 3 VAL HB 3.500 . 4.500 2.425 2.038 2.802 . 0 0 "[ . 1 . 2]" 1
21 1 1 PHE QE 1 3 VAL QG 3.500 . 4.500 3.139 2.943 3.368 . 0 0 "[ . 1 . 2]" 1
22 1 1 PHE QE 1 35 TYR QD 4.500 . 6.500 6.298 5.678 6.943 0.443 6 0 "[ . 1 . 2]" 1
23 1 1 PHE QE 1 37 ILE MD 3.500 . 4.500 3.315 2.130 3.711 . 0 0 "[ . 1 . 2]" 1
24 1 1 PHE QE 1 37 ILE MG 3.500 . 4.500 2.381 2.051 2.591 . 0 0 "[ . 1 . 2]" 1
25 1 1 PHE HZ 1 3 VAL QG 3.500 . 4.500 3.066 2.593 3.338 . 0 0 "[ . 1 . 2]" 1
26 1 1 PHE HZ 1 22 PHE HZ 3.500 . 4.500 4.952 3.246 5.951 1.451 17 11 "[* * ** **- * .*+ *]" 1
27 1 1 PHE HZ 1 37 ILE MD 5.500 . 7.500 3.836 2.460 4.667 . 0 0 "[ . 1 . 2]" 1
28 1 1 PHE HZ 1 37 ILE HG12 3.500 . 4.500 3.687 3.017 5.495 0.995 2 2 "[ + -. 1 . 2]" 1
29 1 2 ASP H 1 2 ASP QB 3.500 . 4.500 2.634 2.540 2.770 . 0 0 "[ . 1 . 2]" 1
30 1 2 ASP H 1 3 VAL H 3.500 . 4.500 4.416 4.310 4.467 . 0 0 "[ . 1 . 2]" 1
31 1 2 ASP H 1 3 VAL QG 4.500 . 6.500 5.101 4.897 5.182 . 0 0 "[ . 1 . 2]" 1
32 1 2 ASP H 1 37 ILE MG 3.500 . 4.500 4.078 3.538 4.615 0.115 4 0 "[ . 1 . 2]" 1
33 1 2 ASP H 1 38 ILE HB 3.500 . 4.500 4.644 2.963 5.084 0.584 20 1 "[ . 1 . +]" 1
34 1 2 ASP H 1 38 ILE MD 3.500 . 4.500 3.830 3.378 4.133 . 0 0 "[ . 1 . 2]" 1
35 1 2 ASP H 1 38 ILE QG 3.500 . 4.500 3.089 2.547 4.988 0.488 3 0 "[ . 1 . 2]" 1
36 1 2 ASP H 1 38 ILE MG 3.500 . 4.500 5.203 4.218 5.421 0.921 5 18 "[** *+***-****** ****]" 1
37 1 2 ASP QB 1 3 VAL H 3.500 . 4.500 2.848 2.726 3.463 . 0 0 "[ . 1 . 2]" 1
38 1 2 ASP QB 1 3 VAL QG 3.500 . 4.500 4.303 4.223 4.692 0.192 9 0 "[ . 1 . 2]" 1
39 1 2 ASP QB 1 4 VAL QG 3.500 . 4.500 3.128 2.721 3.521 . 0 0 "[ . 1 . 2]" 1
40 1 2 ASP QB 1 38 ILE MD 3.500 . 4.500 2.631 2.228 2.833 . 0 0 "[ . 1 . 2]" 1
41 1 2 ASP QB 1 38 ILE MG 3.500 . 4.500 4.605 3.484 4.853 0.353 11 0 "[ . 1 . 2]" 1
42 1 3 VAL H 1 3 VAL HB 3.500 . 4.500 3.195 3.139 3.296 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL H 1 4 VAL H 3.500 . 4.500 4.324 4.277 4.364 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL HA 1 4 VAL QG 3.500 . 4.500 3.305 3.155 3.396 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL HA 1 37 ILE HA 3.500 . 4.500 2.924 2.504 3.444 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL HA 1 37 ILE MG 3.500 . 4.500 4.455 3.770 4.960 0.460 2 0 "[ . 1 . 2]" 1
47 1 3 VAL HB 1 4 VAL H 3.500 . 4.500 4.206 4.078 4.256 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL QG 1 4 VAL H 3.500 . 4.500 2.518 2.462 2.586 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL QG 1 5 SER H 3.500 . 4.500 4.630 4.481 4.817 0.317 18 0 "[ . 1 . 2]" 1
50 1 3 VAL QG 1 22 PHE QD 3.500 . 4.500 5.064 4.233 5.483 0.983 3 13 "[* + ** * *** *** *-]" 1
51 1 3 VAL QG 1 22 PHE HZ 3.500 . 4.500 3.217 2.651 3.932 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL QG 1 35 TYR H 3.500 . 4.500 5.134 4.928 5.329 0.829 16 15 "[***-** * *** *+* **]" 1
53 1 3 VAL QG 1 35 TYR HA 3.500 . 4.500 3.981 3.862 4.324 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL QG 1 35 TYR QB 3.500 . 4.500 2.140 2.014 2.288 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL QG 1 35 TYR QD 3.500 . 4.500 2.877 2.374 3.341 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL QG 1 35 TYR QE 3.500 . 4.500 4.022 3.527 4.462 . 0 0 "[ . 1 . 2]" 1
57 1 3 VAL QG 1 36 LYS H 3.500 3.000 4.500 3.315 3.136 3.453 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL QG 1 37 ILE H 3.500 . 4.500 4.538 4.304 4.729 0.229 4 0 "[ . 1 . 2]" 1
59 1 3 VAL QG 1 37 ILE HG13 4.500 . 6.500 3.420 2.516 5.375 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL H 1 4 VAL HB 3.500 . 4.500 3.886 3.837 3.945 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL H 1 4 VAL QG 3.500 . 4.500 2.222 2.085 2.321 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL H 1 5 SER H 3.500 . 4.500 4.438 4.402 4.467 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL H 1 35 TYR HA 3.500 . 4.500 4.637 4.519 4.850 0.350 20 0 "[ . 1 . 2]" 1
64 1 4 VAL H 1 35 TYR QB 3.500 . 4.500 3.507 3.362 3.778 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL H 1 35 TYR QD 3.500 . 4.500 5.246 4.932 5.469 0.969 19 18 "[*****-* *1********+*]" 1
66 1 4 VAL H 1 36 LYS H 3.500 . 4.500 2.910 2.776 3.092 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL H 1 36 LYS QB 3.500 . 4.500 3.778 3.245 5.085 0.585 4 1 "[ +. 1 . 2]" 1
68 1 4 VAL H 1 36 LYS QG 3.500 . 4.500 4.470 3.181 4.837 0.337 13 0 "[ . 1 . 2]" 1
69 1 4 VAL H 1 38 ILE MD 3.500 . 4.500 2.974 2.804 3.157 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL H 1 38 ILE QG 3.500 . 4.500 5.102 4.846 5.297 0.797 20 18 "[** *-********** ***+]" 1
71 1 4 VAL HA 1 5 SER QB 3.500 . 4.500 4.412 4.304 4.502 0.002 13 0 "[ . 1 . 2]" 1
72 1 4 VAL HA 1 36 LYS H 3.500 . 4.500 4.779 4.688 5.012 0.512 4 1 "[ +. 1 . 2]" 1
73 1 4 VAL HB 1 36 LYS H 3.500 . 4.500 5.037 4.953 5.394 0.894 20 10 "[ * *. * -** *. **+]" 1
74 1 4 VAL QG 1 5 SER H 3.500 . 4.500 3.259 3.181 3.322 . 0 0 "[ . 1 . 2]" 1
75 1 4 VAL QG 1 35 TYR HA 3.500 . 4.500 4.384 4.173 4.493 . 0 0 "[ . 1 . 2]" 1
76 1 4 VAL QG 1 35 TYR QD 5.500 3.000 8.500 5.330 5.051 5.737 . 0 0 "[ . 1 . 2]" 1
77 1 4 VAL QG 1 36 LYS H 3.500 . 4.500 2.992 2.818 3.366 . 0 0 "[ . 1 . 2]" 1
78 1 4 VAL QG 1 36 LYS HA 3.500 . 4.500 4.497 4.327 5.074 0.574 20 1 "[ . 1 . +]" 1
79 1 4 VAL QG 1 36 LYS QB 3.500 . 4.500 2.421 1.971 3.994 . 0 0 "[ . 1 . 2]" 1
80 1 4 VAL QG 1 36 LYS QD 3.500 . 4.500 3.280 2.768 4.000 . 0 0 "[ . 1 . 2]" 1
81 1 4 VAL QG 1 36 LYS QE 3.500 . 4.500 2.760 1.926 3.477 . 0 0 "[ . 1 . 2]" 1
82 1 4 VAL QG 1 36 LYS QG 3.500 . 4.500 3.181 1.857 3.587 . 0 0 "[ . 1 . 2]" 1
83 1 4 VAL QG 1 38 ILE HB 3.500 . 4.500 4.981 4.283 5.257 0.757 17 11 "[ * *.-**** * . + **]" 1
84 1 4 VAL QG 1 38 ILE QG 3.500 . 4.500 3.361 3.012 3.588 . 0 0 "[ . 1 . 2]" 1
85 1 5 SER H 1 6 CYS H 3.500 . 4.500 4.632 4.599 4.672 0.172 13 0 "[ . 1 . 2]" 1
86 1 5 SER H 1 7 ASN H 3.500 . 4.500 5.143 4.690 5.504 1.004 9 15 "[*** ****+1 ***-** *]" 1
87 1 5 SER H 1 35 TYR QD 3.500 . 4.500 4.793 4.318 5.828 1.328 20 3 "[- . 1 * . +]" 1
88 1 5 SER H 1 35 TYR QE 5.500 3.000 8.500 6.353 5.879 7.871 . 0 0 "[ . 1 . 2]" 1
89 1 5 SER HA 1 7 ASN H 3.500 . 4.500 3.837 3.520 4.194 . 0 0 "[ . 1 . 2]" 1
90 1 5 SER HA 1 35 TYR HA 3.500 . 4.500 2.204 2.008 2.476 . 0 0 "[ . 1 . 2]" 1
91 1 5 SER HA 1 35 TYR QB 3.500 . 4.500 3.524 2.069 3.762 . 0 0 "[ . 1 . 2]" 1
92 1 5 SER HA 1 35 TYR QE 3.500 . 4.500 4.605 4.216 5.991 1.491 20 2 "[ . 1 - . +]" 1
93 1 5 SER HA 1 36 LYS H 3.500 . 4.500 3.575 3.460 3.808 . 0 0 "[ . 1 . 2]" 1
94 1 5 SER QB 1 6 CYS H 3.500 . 4.500 2.747 2.574 2.987 . 0 0 "[ . 1 . 2]" 1
95 1 5 SER QB 1 7 ASN H 3.500 . 4.500 2.522 2.216 2.927 . 0 0 "[ . 1 . 2]" 1
96 1 5 SER QB 1 33 HIS HD2 3.500 . 4.500 2.330 2.058 3.283 . 0 0 "[ . 1 . 2]" 1
97 1 5 SER QB 1 35 TYR HA 3.500 . 4.500 3.943 3.681 4.174 . 0 0 "[ . 1 . 2]" 1
98 1 5 SER QB 1 35 TYR QD 3.500 . 4.500 3.218 2.706 3.873 . 0 0 "[ . 1 . 2]" 1
99 1 5 SER QB 1 35 TYR QE 3.500 . 4.500 4.097 3.506 5.703 1.203 20 1 "[ . 1 . +]" 1
100 1 6 CYS H 1 6 CYS QB 3.500 . 4.500 2.336 2.225 2.536 . 0 0 "[ . 1 . 2]" 1
101 1 6 CYS H 1 7 ASN HA 3.500 . 4.500 4.413 4.244 4.511 0.011 5 0 "[ . 1 . 2]" 1
102 1 6 CYS H 1 8 LYS H 3.500 . 4.500 3.809 3.507 3.980 . 0 0 "[ . 1 . 2]" 1
103 1 6 CYS H 1 34 CYS QB 3.500 . 4.500 3.450 3.273 3.599 . 0 0 "[ . 1 . 2]" 1
104 1 6 CYS H 1 35 TYR QD 3.500 . 4.500 3.771 3.290 4.596 0.096 20 0 "[ . 1 . 2]" 1
105 1 6 CYS H 1 36 LYS H 3.500 . 4.500 4.321 3.922 4.691 0.191 20 0 "[ . 1 . 2]" 1
106 1 6 CYS HA 1 7 ASN H 3.500 . 4.500 3.166 2.862 3.333 . 0 0 "[ . 1 . 2]" 1
107 1 6 CYS QB 1 7 ASN H 3.500 . 4.500 3.516 3.215 3.824 . 0 0 "[ . 1 . 2]" 1
108 1 6 CYS QB 1 8 LYS H 3.500 . 4.500 3.519 3.053 4.070 . 0 0 "[ . 1 . 2]" 1
109 1 6 CYS QB 1 34 CYS HA 3.500 . 4.500 4.237 4.046 4.627 0.127 11 0 "[ . 1 . 2]" 1
110 1 6 CYS QB 1 34 CYS QB 3.500 . 4.500 2.140 1.990 2.311 . 0 0 "[ . 1 . 2]" 1
111 1 6 CYS QB 1 35 TYR HA 3.500 . 4.500 3.299 2.835 4.183 . 0 0 "[ . 1 . 2]" 1
112 1 7 ASN H 1 7 ASN HB2 3.500 . 4.500 3.372 2.900 3.960 . 0 0 "[ . 1 . 2]" 1
113 1 7 ASN H 1 7 ASN HB3 3.500 . 4.500 3.641 2.807 4.094 . 0 0 "[ . 1 . 2]" 1
114 1 7 ASN H 1 8 LYS H 3.500 . 4.500 2.984 2.786 3.325 . 0 0 "[ . 1 . 2]" 1
115 1 7 ASN HA 1 8 LYS HA 3.500 . 4.500 4.377 4.195 4.495 . 0 0 "[ . 1 . 2]" 1
116 1 7 ASN HB2 1 7 ASN HD21 3.500 . 4.500 2.951 2.214 3.695 . 0 0 "[ . 1 . 2]" 1
117 1 7 ASN HB2 1 7 ASN HD22 3.500 . 4.500 3.832 3.540 4.167 . 0 0 "[ . 1 . 2]" 1
118 1 7 ASN HB2 1 8 LYS H 3.500 . 4.500 4.569 4.109 4.796 0.296 12 0 "[ . 1 . 2]" 1
119 1 7 ASN HB3 1 7 ASN HD21 3.500 . 4.500 2.919 2.241 3.675 . 0 0 "[ . 1 . 2]" 1
120 1 7 ASN HB3 1 7 ASN HD22 3.500 . 4.500 3.832 3.553 4.166 . 0 0 "[ . 1 . 2]" 1
121 1 7 ASN HB3 1 8 LYS H 3.500 . 4.500 4.546 4.394 4.828 0.328 18 0 "[ . 1 . 2]" 1
122 1 8 LYS H 1 8 LYS HB2 3.500 . 4.500 3.041 2.485 3.317 . 0 0 "[ . 1 . 2]" 1
123 1 8 LYS H 1 8 LYS HB3 3.500 . 4.500 3.076 2.646 3.809 . 0 0 "[ . 1 . 2]" 1
124 1 8 LYS H 1 8 LYS QD 3.500 . 4.500 4.543 4.330 4.738 0.238 9 0 "[ . 1 . 2]" 1
125 1 8 LYS H 1 8 LYS HG2 5.500 . 7.500 4.513 3.171 5.056 . 0 0 "[ . 1 . 2]" 1
126 1 8 LYS H 1 8 LYS HG3 5.500 . 7.500 4.504 4.202 4.599 . 0 0 "[ . 1 . 2]" 1
127 1 8 LYS H 1 9 ASN H 3.500 . 4.500 4.339 4.256 4.460 . 0 0 "[ . 1 . 2]" 1
128 1 8 LYS H 1 34 CYS H 3.500 . 4.500 3.153 2.982 3.374 . 0 0 "[ . 1 . 2]" 1
129 1 8 LYS H 1 34 CYS QB 3.500 . 4.500 2.781 2.511 3.015 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS HA 1 8 LYS QD 3.500 . 4.500 2.251 2.119 2.475 . 0 0 "[ . 1 . 2]" 1
131 1 8 LYS HA 1 8 LYS HG2 3.500 . 4.500 3.568 2.786 3.914 . 0 0 "[ . 1 . 2]" 1
132 1 8 LYS HA 1 8 LYS HG3 3.500 . 4.500 3.314 2.971 3.875 . 0 0 "[ . 1 . 2]" 1
133 1 8 LYS HA 1 17 CYS HA 5.500 . 7.500 5.894 5.521 6.197 . 0 0 "[ . 1 . 2]" 1
134 1 8 LYS HB2 1 9 ASN H 3.500 . 4.500 4.212 3.916 4.422 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS HB2 1 18 PRO HD2 3.500 . 4.500 3.312 2.855 3.619 . 0 0 "[ . 1 . 2]" 1
136 1 8 LYS HB2 1 18 PRO HD3 3.500 . 4.500 3.129 2.662 3.614 . 0 0 "[ . 1 . 2]" 1
137 1 8 LYS HB3 1 9 ASN H 3.500 . 4.500 3.736 2.692 4.189 . 0 0 "[ . 1 . 2]" 1
138 1 8 LYS HB3 1 18 PRO HD2 3.500 . 4.500 3.238 2.771 4.020 . 0 0 "[ . 1 . 2]" 1
139 1 8 LYS HB3 1 18 PRO HD3 3.500 . 4.500 3.391 3.059 3.813 . 0 0 "[ . 1 . 2]" 1
140 1 8 LYS QD 1 9 ASN H 3.500 . 4.500 2.866 2.334 3.598 . 0 0 "[ . 1 . 2]" 1
141 1 8 LYS QD 1 18 PRO HD2 3.500 . 4.500 4.709 4.197 5.366 0.866 20 5 "[ *. -1* . * +]" 1
142 1 8 LYS QD 1 18 PRO HD3 3.500 . 4.500 3.583 3.052 4.239 . 0 0 "[ . 1 . 2]" 1
143 1 8 LYS QE 1 9 ASN H 3.500 . 4.500 4.118 3.649 5.282 0.782 3 2 "[ + .- 1 . 2]" 1
144 1 8 LYS QE 1 16 GLU QB 3.500 . 4.500 3.817 2.659 5.568 1.068 6 4 "[ * .+ *1 . - 2]" 1
145 1 8 LYS QE 1 18 PRO QB 3.500 . 4.500 4.284 3.350 4.723 0.223 16 0 "[ . 1 . 2]" 1
146 1 8 LYS HG2 1 9 ASN H 3.500 . 4.500 4.479 4.191 4.944 0.444 11 0 "[ . 1 . 2]" 1
147 1 8 LYS HG2 1 18 PRO HD2 3.500 . 4.500 3.406 2.743 4.635 0.135 20 0 "[ . 1 . 2]" 1
148 1 8 LYS HG2 1 18 PRO HD3 3.500 . 4.500 2.702 2.106 4.030 . 0 0 "[ . 1 . 2]" 1
149 1 8 LYS HG3 1 9 ASN H 3.500 . 4.500 3.472 2.532 5.329 0.829 11 6 "[ **. * 1+ - . *]" 1
150 1 8 LYS HG3 1 18 PRO HD2 3.500 . 4.500 4.003 2.830 4.524 0.024 17 0 "[ . 1 . 2]" 1
151 1 8 LYS HG3 1 18 PRO HD3 3.500 . 4.500 3.410 2.054 4.141 . 0 0 "[ . 1 . 2]" 1
152 1 9 ASN H 1 9 ASN HB3 3.500 . 4.500 2.582 2.371 3.309 . 0 0 "[ . 1 . 2]" 1
153 1 9 ASN H 1 9 ASN QD 3.500 . 4.500 4.267 3.961 4.504 0.004 5 0 "[ . 1 . 2]" 1
154 1 9 ASN H 1 34 CYS H 3.500 . 4.500 4.883 4.475 5.407 0.907 19 4 "[ . 1 **- +2]" 1
155 1 9 ASN HA 1 9 ASN QD 5.500 . 7.500 3.530 2.151 4.126 . 0 0 "[ . 1 . 2]" 1
156 1 9 ASN HA 1 34 CYS H 3.500 . 4.500 3.427 2.461 4.117 . 0 0 "[ . 1 . 2]" 1
157 1 9 ASN HB2 1 10 CYS H 3.500 . 4.500 3.882 2.368 4.551 0.051 18 0 "[ . 1 . 2]" 1
158 1 9 ASN QD 1 16 GLU HA 5.500 3.000 8.500 8.195 7.085 8.904 0.404 5 0 "[ . 1 . 2]" 1
159 1 9 ASN QD 1 31 LYS HA 3.500 . 4.500 4.659 4.105 5.520 1.020 14 4 "[ . 1 *+. -*2]" 1
160 1 10 CYS H 1 10 CYS QB 3.500 . 4.500 2.724 2.196 3.113 . 0 0 "[ . 1 . 2]" 1
161 1 10 CYS H 1 11 THR H 3.500 . 4.500 4.467 4.339 4.581 0.081 4 0 "[ . 1 . 2]" 1
162 1 10 CYS H 1 11 THR MG 3.500 . 4.500 5.950 4.286 6.420 1.920 7 18 "[ ***.*+-************]" 1
163 1 10 CYS H 1 16 GLU HA 5.500 3.000 8.500 7.792 7.220 8.277 . 0 0 "[ . 1 . 2]" 1
164 1 10 CYS H 1 31 LYS HA 3.500 . 4.500 5.164 3.996 6.122 1.622 12 11 "[ * * *- +**.****2]" 1
165 1 10 CYS H 1 32 GLY H 3.500 . 4.500 3.959 2.834 6.244 1.744 14 7 "[ . 1-**+. ***]" 1
166 1 10 CYS H 1 32 GLY QA 5.500 3.000 8.500 4.235 3.911 5.082 . 0 0 "[ . 1 . 2]" 1
167 1 10 CYS H 1 34 CYS H 3.500 . 4.500 4.230 3.782 4.740 0.240 11 0 "[ . 1 . 2]" 1
168 1 10 CYS HA 1 11 THR MG 3.500 . 4.500 5.307 3.728 5.662 1.162 11 17 "[ -**.** **+*********]" 1
169 1 10 CYS HA 1 16 GLU QB 3.500 . 4.500 3.246 2.430 3.908 . 0 0 "[ . 1 . 2]" 1
170 1 10 CYS HA 1 16 GLU QG 3.500 . 4.500 4.827 4.192 5.503 1.003 10 6 "[ .*-* + * * 2]" 1
171 1 10 CYS QB 1 11 THR H 3.500 . 4.500 2.850 2.341 3.846 . 0 0 "[ . 1 . 2]" 1
172 1 10 CYS QB 1 16 GLU QB 3.500 . 4.500 3.994 3.376 4.816 0.316 14 0 "[ . 1 . 2]" 1
173 1 11 THR H 1 16 GLU QB 3.500 . 4.500 4.243 3.573 4.773 0.273 8 0 "[ . 1 . 2]" 1
174 1 11 THR HA 1 12 SER HA 3.500 . 4.500 4.261 4.054 4.442 . 0 0 "[ . 1 . 2]" 1
175 1 11 THR HA 1 14 GLN H 3.500 . 4.500 5.054 4.691 5.565 1.065 6 12 "[* ***+** ** . - **]" 1
176 1 11 THR HA 1 25 LEU QD 3.500 . 4.500 3.611 2.306 4.921 0.421 18 0 "[ . 1 . 2]" 1
177 1 11 THR HB 1 14 GLN H 3.500 . 4.500 3.552 2.352 4.835 0.335 8 0 "[ . 1 . 2]" 1
178 1 11 THR HB 1 14 GLN QB 3.500 . 4.500 3.176 2.019 4.861 0.361 17 0 "[ . 1 . 2]" 1
179 1 11 THR HB 1 14 GLN QG 3.500 . 4.500 3.012 2.382 4.346 . 0 0 "[ . 1 . 2]" 1
180 1 11 THR HB 1 31 LYS HA 3.500 . 4.500 5.153 3.746 5.617 1.117 14 16 "[ ***.** *** -+******]" 1
181 1 11 THR MG 1 12 SER HA 3.500 . 4.500 4.455 4.165 5.512 1.012 8 3 "[- * + 1 . 2]" 1
182 1 11 THR MG 1 12 SER QB 3.500 . 4.500 3.615 2.934 4.696 0.196 1 0 "[ . 1 . 2]" 1
183 1 11 THR MG 1 14 GLN H 3.500 . 4.500 4.175 3.286 5.632 1.132 8 3 "[- * + 1 . 2]" 1
184 1 11 THR MG 1 25 LEU QD 3.500 . 4.500 4.253 3.646 4.622 0.122 15 0 "[ . 1 . 2]" 1
185 1 11 THR MG 1 26 LEU QD 5.500 3.000 8.500 7.421 6.204 8.541 0.041 14 0 "[ . 1 . 2]" 1
186 1 11 THR MG 1 31 LYS H 5.500 . 7.500 5.102 4.481 5.568 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR MG 1 31 LYS HA 3.500 . 4.500 3.371 2.404 3.948 . 0 0 "[ . 1 . 2]" 1
188 1 12 SER H 1 25 LEU QD 3.500 . 4.500 3.131 2.653 3.790 . 0 0 "[ . 1 . 2]" 1
189 1 12 SER H 1 30 LYS HB2 5.500 3.000 8.500 6.345 5.257 7.674 . 0 0 "[ . 1 . 2]" 1
190 1 12 SER HA 1 25 LEU QD 3.500 . 4.500 2.563 1.991 3.839 . 0 0 "[ . 1 . 2]" 1
191 1 12 SER QB 1 25 LEU QD 3.500 . 4.500 2.316 1.932 3.120 . 0 0 "[ . 1 . 2]" 1
192 1 12 SER QB 1 26 LEU QD 5.500 3.000 8.500 5.908 5.196 6.873 . 0 0 "[ . 1 . 2]" 1
193 1 12 SER QB 1 31 LYS HA 3.500 3.000 4.500 4.285 3.645 4.709 0.209 20 0 "[ . 1 . 2]" 1
194 1 13 GLY H 1 14 GLN H 3.500 . 4.500 2.823 2.515 3.562 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLY HA2 1 14 GLN H 3.500 . 4.500 3.445 3.236 3.583 . 0 0 "[ . 1 . 2]" 1
196 1 13 GLY HA3 1 14 GLN H 3.500 . 4.500 3.052 2.563 3.399 . 0 0 "[ . 1 . 2]" 1
197 1 14 GLN H 1 14 GLN QB 3.500 . 4.500 2.573 2.088 3.256 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLN H 1 14 GLN QG 3.500 . 4.500 2.741 2.226 3.915 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLN HA 1 14 GLN QG 3.500 . 4.500 2.858 2.454 3.442 . 0 0 "[ . 1 . 2]" 1
200 1 14 GLN QB 1 15 ASN H 3.500 . 4.500 2.674 2.370 3.703 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLN HE22 1 14 GLN QG 3.500 . 4.500 3.380 3.265 3.471 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLN QG 1 15 ASN H 3.500 . 4.500 4.179 3.345 4.569 0.069 4 0 "[ . 1 . 2]" 1
203 1 15 ASN H 1 15 ASN HB2 3.500 . 4.500 3.081 2.449 3.579 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASN H 1 15 ASN HB3 3.500 . 4.500 3.855 3.598 4.067 . 0 0 "[ . 1 . 2]" 1
205 1 15 ASN H 1 16 GLU H 3.500 . 4.500 3.262 2.891 4.200 . 0 0 "[ . 1 . 2]" 1
206 1 15 ASN HA 1 15 ASN HD21 3.500 . 4.500 2.750 2.032 3.995 . 0 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 15 ASN HD22 3.500 . 4.500 3.821 3.546 4.358 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN HB2 1 15 ASN HD21 3.500 . 4.500 3.003 2.174 3.693 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HB2 1 15 ASN HD22 3.500 . 4.500 3.857 3.499 4.170 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN HB2 1 16 GLU H 3.500 . 4.500 4.556 4.345 4.769 0.269 10 0 "[ . 1 . 2]" 1
211 1 15 ASN HB3 1 15 ASN HD21 3.500 . 4.500 3.169 2.277 3.626 . 0 0 "[ . 1 . 2]" 1
212 1 15 ASN HB3 1 15 ASN HD22 3.500 . 4.500 3.919 3.528 4.192 . 0 0 "[ . 1 . 2]" 1
213 1 15 ASN HB3 1 16 GLU H 3.500 . 4.500 4.416 3.872 4.575 0.075 18 0 "[ . 1 . 2]" 1
214 1 15 ASN HD21 1 28 GLN HA 5.500 3.000 8.500 6.836 5.642 8.756 0.256 18 0 "[ . 1 . 2]" 1
215 1 15 ASN HD22 1 28 GLN HA 5.500 3.000 8.500 6.219 4.216 7.952 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLU H 1 16 GLU QB 3.500 . 4.500 2.304 2.149 2.497 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLU H 1 16 GLU QG 3.500 . 4.500 3.109 2.371 4.118 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLU QB 1 17 CYS H 3.500 . 4.500 3.663 3.059 4.143 . 0 0 "[ . 1 . 2]" 1
219 1 16 GLU QG 1 17 CYS H 3.500 . 4.500 4.302 3.258 4.904 0.404 13 0 "[ . 1 . 2]" 1
220 1 17 CYS H 1 18 PRO HD2 3.500 . 4.500 4.777 4.707 4.857 0.357 4 0 "[ . 1 . 2]" 1
221 1 17 CYS H 1 18 PRO HD3 3.500 . 4.500 4.920 4.781 5.041 0.541 4 3 "[ +. 1 .* -2]" 1
222 1 17 CYS HA 1 18 PRO QB 3.500 . 4.500 4.749 4.698 4.792 0.292 1 0 "[ . 1 . 2]" 1
223 1 17 CYS HA 1 18 PRO HD2 3.500 . 4.500 2.357 2.213 2.461 . 0 0 "[ . 1 . 2]" 1
224 1 17 CYS HA 1 18 PRO HG2 3.500 . 4.500 4.568 4.436 4.660 0.160 18 0 "[ . 1 . 2]" 1
225 1 17 CYS HA 1 18 PRO HG3 3.500 . 4.500 4.771 4.651 4.825 0.325 1 0 "[ . 1 . 2]" 1
226 1 17 CYS HA 1 21 CYS QB 3.500 . 4.500 4.199 4.015 4.303 . 0 0 "[ . 1 . 2]" 1
227 1 17 CYS HA 1 34 CYS QB 3.500 . 4.500 3.755 3.451 3.995 . 0 0 "[ . 1 . 2]" 1
228 1 17 CYS HB2 1 21 CYS H 3.500 . 4.500 4.402 4.170 4.698 0.198 4 0 "[ . 1 . 2]" 1
229 1 17 CYS HB3 1 21 CYS H 3.500 . 4.500 4.014 3.854 4.210 . 0 0 "[ . 1 . 2]" 1
230 1 17 CYS HB3 1 22 PHE H 3.500 . 4.500 4.399 4.010 4.780 0.280 4 0 "[ . 1 . 2]" 1
231 1 18 PRO HA 1 18 PRO HD3 3.500 . 4.500 3.573 3.537 3.598 . 0 0 "[ . 1 . 2]" 1
232 1 18 PRO HA 1 18 PRO HG2 3.500 . 4.500 3.855 3.846 3.866 . 0 0 "[ . 1 . 2]" 1
233 1 18 PRO HA 1 19 GLU HA 3.500 . 4.500 4.252 4.205 4.312 . 0 0 "[ . 1 . 2]" 1
234 1 18 PRO QB 1 18 PRO HD2 3.500 . 4.500 3.557 3.537 3.563 . 0 0 "[ . 1 . 2]" 1
235 1 18 PRO QB 1 18 PRO HD3 3.500 . 4.500 2.737 2.674 2.784 . 0 0 "[ . 1 . 2]" 1
236 1 18 PRO QB 1 21 CYS H 3.500 . 4.500 4.799 4.648 4.960 0.460 15 0 "[ . 1 . 2]" 1
237 1 18 PRO HD2 1 21 CYS H 5.500 . 7.500 4.988 4.793 5.152 . 0 0 "[ . 1 . 2]" 1
238 1 18 PRO HG2 1 19 GLU H 3.500 . 4.500 4.524 4.480 4.599 0.099 11 0 "[ . 1 . 2]" 1
239 1 18 PRO HG2 1 21 CYS QB 3.500 . 4.500 2.636 2.484 2.830 . 0 0 "[ . 1 . 2]" 1
240 1 18 PRO HG3 1 21 CYS QB 3.500 . 4.500 4.121 3.968 4.326 . 0 0 "[ . 1 . 2]" 1
241 1 19 GLU H 1 19 GLU QG 3.500 . 4.500 3.131 2.197 4.065 . 0 0 "[ . 1 . 2]" 1
242 1 19 GLU H 1 20 GLY H 3.500 . 4.500 4.637 4.619 4.666 0.166 2 0 "[ . 1 . 2]" 1
243 1 19 GLU H 1 21 CYS H 3.500 . 4.500 4.717 4.616 4.801 0.301 4 0 "[ . 1 . 2]" 1
244 1 19 GLU HA 1 19 GLU QG 3.500 . 4.500 2.789 2.446 3.437 . 0 0 "[ . 1 . 2]" 1
245 1 19 GLU HA 1 20 GLY HA3 3.500 . 4.500 4.459 4.451 4.466 . 0 0 "[ . 1 . 2]" 1
246 1 19 GLU HA 1 21 CYS H 3.500 . 4.500 3.242 3.111 3.311 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLU HB2 1 20 GLY H 3.500 . 4.500 4.069 2.906 4.275 . 0 0 "[ . 1 . 2]" 1
248 1 19 GLU HB3 1 20 GLY H 3.500 . 4.500 3.684 3.016 4.272 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLU QG 1 20 GLY H 3.500 . 4.500 3.601 2.769 4.591 0.091 6 0 "[ . 1 . 2]" 1
250 1 20 GLY HA2 1 21 CYS H 3.500 . 4.500 3.432 3.396 3.453 . 0 0 "[ . 1 . 2]" 1
251 1 20 GLY HA3 1 21 CYS H 3.500 . 4.500 3.201 3.174 3.235 . 0 0 "[ . 1 . 2]" 1
252 1 21 CYS H 1 21 CYS QB 3.500 . 4.500 2.510 2.488 2.529 . 0 0 "[ . 1 . 2]" 1
253 1 21 CYS H 1 22 PHE H 3.500 . 4.500 4.528 4.506 4.546 0.046 6 0 "[ . 1 . 2]" 1
254 1 21 CYS HA 1 22 PHE QD 3.500 . 4.500 3.278 3.021 3.685 . 0 0 "[ . 1 . 2]" 1
255 1 21 CYS HA 1 34 CYS QB 3.500 . 4.500 4.552 4.342 4.642 0.142 8 0 "[ . 1 . 2]" 1
256 1 21 CYS HA 1 35 TYR H 3.500 . 4.500 4.553 4.430 4.741 0.241 16 0 "[ . 1 . 2]" 1
257 1 21 CYS HA 1 36 LYS HA 3.500 . 4.500 2.929 2.352 3.287 . 0 0 "[ . 1 . 2]" 1
258 1 21 CYS HA 1 36 LYS QB 3.500 . 4.500 3.645 2.415 4.131 . 0 0 "[ . 1 . 2]" 1
259 1 21 CYS HA 1 36 LYS QG 3.500 . 4.500 4.088 3.659 4.962 0.462 4 0 "[ . 1 . 2]" 1
260 1 21 CYS QB 1 22 PHE H 3.500 . 4.500 2.614 2.510 2.674 . 0 0 "[ . 1 . 2]" 1
261 1 21 CYS QB 1 22 PHE QD 5.500 . 7.500 4.564 4.337 4.808 . 0 0 "[ . 1 . 2]" 1
262 1 21 CYS QB 1 34 CYS HA 3.500 . 4.500 4.148 3.893 4.384 . 0 0 "[ . 1 . 2]" 1
263 1 21 CYS QB 1 34 CYS QB 3.500 . 4.500 2.255 2.071 2.385 . 0 0 "[ . 1 . 2]" 1
264 1 21 CYS QB 1 35 TYR H 3.500 . 4.500 3.410 3.178 3.585 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE H 1 22 PHE QB 3.500 . 4.500 3.101 3.054 3.141 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE H 1 22 PHE QD 3.500 . 4.500 2.490 2.282 2.925 . 0 0 "[ . 1 . 2]" 1
267 1 22 PHE H 1 34 CYS HA 3.500 . 4.500 4.220 3.951 4.477 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE H 1 34 CYS QB 3.500 . 4.500 3.678 3.469 3.918 . 0 0 "[ . 1 . 2]" 1
269 1 22 PHE H 1 35 TYR H 3.500 . 4.500 2.745 2.622 2.996 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE H 1 36 LYS HA 3.500 . 4.500 3.810 3.530 4.020 . 0 0 "[ . 1 . 2]" 1
271 1 22 PHE H 1 36 LYS QB 3.500 . 4.500 4.949 4.015 5.416 0.916 9 13 "[*-* .** +** **.*** 2]" 1
272 1 22 PHE HA 1 22 PHE QD 3.500 . 4.500 3.766 3.731 3.799 . 0 0 "[ . 1 . 2]" 1
273 1 22 PHE QB 1 23 CYS H 3.500 . 4.500 2.648 2.455 2.785 . 0 0 "[ . 1 . 2]" 1
274 1 22 PHE QB 1 26 LEU QD 5.500 3.000 8.500 7.564 6.176 8.607 0.107 5 0 "[ . 1 . 2]" 1
275 1 22 PHE QD 1 23 CYS H 3.500 . 4.500 3.380 3.120 3.643 . 0 0 "[ . 1 . 2]" 1
276 1 22 PHE QD 1 24 GLY QA 3.500 . 4.500 3.589 3.329 4.074 . 0 0 "[ . 1 . 2]" 1
277 1 22 PHE QD 1 35 TYR QB 3.500 . 4.500 3.814 3.074 5.291 0.791 20 1 "[ . 1 . +]" 1
278 1 22 PHE QD 1 35 TYR QD 3.500 . 4.500 4.325 3.702 4.819 0.319 12 0 "[ . 1 . 2]" 1
279 1 22 PHE QD 1 35 TYR QE 3.500 . 4.500 5.371 4.143 5.978 1.478 12 17 "[***** *****+*-.****2]" 1
280 1 22 PHE QD 1 36 LYS HA 3.500 . 4.500 3.480 2.718 4.312 . 0 0 "[ . 1 . 2]" 1
281 1 22 PHE QD 1 37 ILE H 3.500 . 4.500 3.919 3.443 4.443 . 0 0 "[ . 1 . 2]" 1
282 1 22 PHE QD 1 37 ILE HA 3.500 . 4.500 5.884 4.953 6.633 2.133 5 19 "[****+******* -******]" 1
283 1 22 PHE QD 1 37 ILE HB 3.500 . 4.500 4.713 4.255 5.085 0.585 5 3 "[ -+ 1 . *]" 1
284 1 22 PHE QD 1 37 ILE MD 3.500 . 4.500 3.753 2.807 4.359 . 0 0 "[ . 1 . 2]" 1
285 1 22 PHE QD 1 37 ILE HG12 5.500 3.000 8.500 5.114 2.680 6.035 0.320 2 0 "[ . 1 . 2]" 1
286 1 22 PHE QD 1 37 ILE HG13 3.500 . 4.500 3.838 2.441 4.462 . 0 0 "[ . 1 . 2]" 1
287 1 22 PHE QE 1 24 GLY H 3.500 . 4.500 4.451 3.923 5.510 1.010 10 2 "[ - . + . 2]" 1
288 1 22 PHE QE 1 36 LYS H 3.500 . 4.500 4.449 4.070 5.335 0.835 9 1 "[ . +1 . 2]" 1
289 1 22 PHE HZ 1 35 TYR QB . 3.000 4.500 3.057 2.264 5.366 0.866 20 2 "[ - 1 . +]" 1
290 1 22 PHE HZ 1 37 ILE MD 3.500 . 4.500 2.769 2.140 3.534 . 0 0 "[ . 1 . 2]" 1
291 1 23 CYS HA 1 34 CYS HA 3.500 . 4.500 2.389 2.037 2.866 . 0 0 "[ . 1 . 2]" 1
292 1 23 CYS HB2 1 24 GLY H 3.500 . 4.500 3.956 2.637 4.474 . 0 0 "[ . 1 . 2]" 1
293 1 23 CYS HB2 1 34 CYS HA 3.500 . 4.500 3.547 2.536 4.816 0.316 6 0 "[ . 1 . 2]" 1
294 1 23 CYS HB3 1 24 GLY H 3.500 . 4.500 4.200 3.168 4.455 . 0 0 "[ . 1 . 2]" 1
295 1 24 GLY H 1 33 HIS H 3.500 . 4.500 3.819 2.892 4.578 0.078 3 0 "[ . 1 . 2]" 1
296 1 24 GLY H 1 34 CYS HA 3.500 . 4.500 3.854 2.662 4.699 0.199 13 0 "[ . 1 . 2]" 1
297 1 24 GLY H 1 35 TYR H 3.500 . 4.500 4.411 3.769 5.042 0.542 18 1 "[ . 1 . + 2]" 1
298 1 24 GLY H 1 35 TYR QD 3.500 . 4.500 4.046 3.227 4.643 0.143 5 0 "[ . 1 . 2]" 1
299 1 24 GLY H 1 35 TYR QE 3.500 . 4.500 3.424 2.202 4.808 0.308 5 0 "[ . 1 . 2]" 1
300 1 24 GLY QA 1 35 TYR QD 3.500 . 4.500 3.995 3.394 5.177 0.677 20 1 "[ . 1 . +]" 1
301 1 24 GLY QA 1 35 TYR QE 3.500 . 4.500 2.754 2.024 3.736 . 0 0 "[ . 1 . 2]" 1
302 1 25 LEU HA 1 25 LEU QD 3.500 . 4.500 2.194 2.031 2.542 . 0 0 "[ . 1 . 2]" 1
303 1 25 LEU HA 1 25 LEU HG 3.500 . 4.500 3.479 2.557 3.831 . 0 0 "[ . 1 . 2]" 1
304 1 25 LEU HA 1 32 GLY H 3.500 . 4.500 5.137 4.232 5.683 1.183 13 14 "[ * *.** ***+*** **-]" 1
305 1 25 LEU HB2 1 26 LEU H 3.500 . 4.500 4.429 4.228 4.606 0.106 20 0 "[ . 1 . 2]" 1
306 1 25 LEU QD 1 26 LEU H 3.500 . 4.500 2.364 1.814 3.210 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU QD 1 29 ASN QB 3.500 . 4.500 3.335 2.279 4.147 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU QD 1 30 LYS HA 3.500 . 4.500 4.044 3.613 4.493 . 0 0 "[ . 1 . 2]" 1
309 1 25 LEU QD 1 31 LYS H 3.500 . 4.500 3.238 2.664 4.210 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU QD 1 31 LYS HA 3.500 . 4.500 2.776 2.159 3.836 . 0 0 "[ . 1 . 2]" 1
311 1 25 LEU QD 1 32 GLY H 3.500 . 4.500 3.074 2.538 3.697 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU QD 1 32 GLY QA 3.500 . 4.500 2.709 2.060 3.408 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU H 1 26 LEU HB2 3.500 . 4.500 2.687 2.505 3.503 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU H 1 26 LEU HB3 3.500 . 4.500 3.577 3.082 3.767 . 0 0 "[ . 1 . 2]" 1
315 1 26 LEU H 1 26 LEU QD 3.500 . 4.500 1.963 1.617 2.371 . 0 0 "[ . 1 . 2]" 1
316 1 26 LEU H 1 26 LEU HG 3.500 . 4.500 3.935 3.535 4.354 . 0 0 "[ . 1 . 2]" 1
317 1 26 LEU H 1 27 GLY H 3.500 . 4.500 3.979 2.712 4.512 0.012 16 0 "[ . 1 . 2]" 1
318 1 26 LEU H 1 29 ASN QB . 3.000 4.500 4.347 3.350 5.048 0.548 11 1 "[ . 1+ . 2]" 1
319 1 26 LEU HA 1 26 LEU HG 3.500 . 4.500 3.825 3.719 4.269 . 0 0 "[ . 1 . 2]" 1
320 1 26 LEU HB2 1 27 GLY H 3.500 . 4.500 3.958 2.248 4.533 0.033 6 0 "[ . 1 . 2]" 1
321 1 26 LEU HB3 1 27 GLY H 3.500 . 4.500 3.725 2.880 4.415 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU QD 1 27 GLY H 3.500 . 4.500 3.859 3.346 4.290 . 0 0 "[ . 1 . 2]" 1
323 1 26 LEU QD 1 27 GLY QA 3.500 . 4.500 4.689 4.198 4.919 0.419 4 0 "[ . 1 . 2]" 1
324 1 26 LEU QD 1 29 ASN HD21 3.500 . 4.500 4.505 2.813 5.353 0.853 2 2 "[ + . - 1 . 2]" 1
325 1 26 LEU QD 1 29 ASN HD22 5.500 . 7.500 5.390 4.206 5.988 . 0 0 "[ . 1 . 2]" 1
326 1 26 LEU QD 1 32 GLY QA 4.500 . 4.500 3.876 2.886 5.441 0.941 18 1 "[ . 1 . + 2]" 1
327 1 26 LEU QD 1 35 TYR QD 5.500 3.000 8.500 6.269 5.356 7.015 . 0 0 "[ . 1 . 2]" 1
328 1 26 LEU QD 1 35 TYR QE 3.500 . 4.500 4.832 4.115 5.554 1.054 7 6 "[ *- + *1 . * *]" 1
329 1 26 LEU HG 1 27 GLY H 5.500 3.000 8.500 5.536 4.705 6.084 . 0 0 "[ . 1 . 2]" 1
330 1 27 GLY H 1 28 GLN H 3.500 . 4.500 2.724 2.306 3.163 . 0 0 "[ . 1 . 2]" 1
331 1 27 GLY QA 1 29 ASN H 3.500 . 4.500 3.887 3.634 4.470 . 0 0 "[ . 1 . 2]" 1
332 1 28 GLN H 1 28 GLN HB2 3.500 . 4.500 3.608 2.968 3.995 . 0 0 "[ . 1 . 2]" 1
333 1 28 GLN H 1 28 GLN HB3 3.500 . 4.500 3.620 2.966 4.118 . 0 0 "[ . 1 . 2]" 1
334 1 28 GLN H 1 28 GLN QG 3.500 . 4.500 3.392 2.739 4.141 . 0 0 "[ . 1 . 2]" 1
335 1 28 GLN H 1 29 ASN H 3.500 . 4.500 2.930 2.760 3.286 . 0 0 "[ . 1 . 2]" 1
336 1 28 GLN HB2 1 29 ASN H 3.500 . 4.500 4.478 4.235 4.701 0.201 19 0 "[ . 1 . 2]" 1
337 1 28 GLN HB3 1 29 ASN H 3.500 . 4.500 4.560 4.347 4.782 0.282 7 0 "[ . 1 . 2]" 1
338 1 28 GLN HE22 1 28 GLN QG 3.500 . 4.500 3.396 3.271 3.563 . 0 0 "[ . 1 . 2]" 1
339 1 28 GLN QG 1 29 ASN H 3.500 . 4.500 4.523 4.229 4.930 0.430 3 0 "[ . 1 . 2]" 1
340 1 29 ASN H 1 29 ASN QB 3.500 . 4.500 2.350 2.279 2.452 . 0 0 "[ . 1 . 2]" 1
341 1 29 ASN H 1 29 ASN HD21 3.500 . 4.500 2.789 2.526 4.192 . 0 0 "[ . 1 . 2]" 1
342 1 29 ASN H 1 29 ASN HD22 3.500 . 4.500 4.035 3.850 4.467 . 0 0 "[ . 1 . 2]" 1
343 1 29 ASN HA 1 29 ASN HD21 3.500 . 4.500 3.710 2.073 4.077 . 0 0 "[ . 1 . 2]" 1
344 1 29 ASN HA 1 29 ASN HD22 3.500 . 4.500 4.230 3.668 4.437 . 0 0 "[ . 1 . 2]" 1
345 1 29 ASN QB 1 29 ASN HD22 3.500 . 4.500 3.383 3.328 3.576 . 0 0 "[ . 1 . 2]" 1
346 1 29 ASN QB 1 30 LYS H 3.500 . 4.500 2.397 1.813 2.767 . 0 0 "[ . 1 . 2]" 1
347 1 29 ASN QB 1 31 LYS H 3.500 . 4.500 4.889 3.515 5.912 1.412 18 8 "[ *- 1****. +*2]" 1
348 1 30 LYS H 1 30 LYS HB2 3.500 . 4.500 2.912 2.427 4.000 . 0 0 "[ . 1 . 2]" 1
349 1 30 LYS H 1 30 LYS HB3 3.500 . 4.500 3.710 2.963 3.953 . 0 0 "[ . 1 . 2]" 1
350 1 30 LYS H 1 30 LYS QD 3.500 . 4.500 4.231 2.355 5.007 0.507 11 1 "[ . 1+ . 2]" 1
351 1 30 LYS H 1 30 LYS HG2 3.500 . 4.500 3.501 2.223 4.298 . 0 0 "[ . 1 . 2]" 1
352 1 30 LYS H 1 30 LYS HG3 3.500 . 4.500 3.451 2.348 4.653 0.153 14 0 "[ . 1 . 2]" 1
353 1 30 LYS HA 1 30 LYS QD 3.500 . 4.500 3.549 2.159 4.626 0.126 10 0 "[ . 1 . 2]" 1
354 1 30 LYS HA 1 30 LYS HG2 3.500 . 4.500 3.042 2.438 3.945 . 0 0 "[ . 1 . 2]" 1
355 1 30 LYS HA 1 30 LYS HG3 3.500 . 4.500 3.480 2.602 3.947 . 0 0 "[ . 1 . 2]" 1
356 1 30 LYS HA 1 31 LYS H 3.500 . 4.500 3.335 2.438 3.661 . 0 0 "[ . 1 . 2]" 1
357 1 30 LYS HB2 1 31 LYS H 3.500 . 4.500 2.239 1.815 3.350 . 0 0 "[ . 1 . 2]" 1
358 1 30 LYS HB3 1 31 LYS H 3.500 . 4.500 2.626 1.825 3.978 . 0 0 "[ . 1 . 2]" 1
359 1 31 LYS H 1 31 LYS HB2 3.500 . 4.500 3.680 2.519 4.034 . 0 0 "[ . 1 . 2]" 1
360 1 31 LYS H 1 31 LYS HB3 3.500 . 4.500 3.210 2.395 3.856 . 0 0 "[ . 1 . 2]" 1
361 1 31 LYS H 1 31 LYS QD 3.500 . 4.500 4.102 2.181 4.600 0.100 15 0 "[ . 1 . 2]" 1
362 1 31 LYS H 1 31 LYS HG2 3.500 . 4.500 2.678 2.011 4.328 . 0 0 "[ . 1 . 2]" 1
363 1 31 LYS H 1 31 LYS HG3 3.500 . 4.500 3.157 2.264 4.344 . 0 0 "[ . 1 . 2]" 1
364 1 31 LYS H 1 32 GLY H 3.500 . 4.500 3.701 2.183 4.510 0.010 5 0 "[ . 1 . 2]" 1
365 1 31 LYS HA 1 31 LYS HG2 3.500 . 4.500 3.722 2.544 4.285 . 0 0 "[ . 1 . 2]" 1
366 1 31 LYS HA 1 31 LYS HG3 3.500 . 4.500 3.780 3.053 4.324 . 0 0 "[ . 1 . 2]" 1
367 1 31 LYS HB2 1 32 GLY H 3.500 . 4.500 3.158 2.546 4.003 . 0 0 "[ . 1 . 2]" 1
368 1 31 LYS HB3 1 32 GLY H 3.500 . 4.500 3.910 2.636 4.304 . 0 0 "[ . 1 . 2]" 1
369 1 31 LYS HG2 1 32 GLY H 3.500 . 4.500 4.050 2.770 4.971 0.471 7 0 "[ . 1 . 2]" 1
370 1 31 LYS HG3 1 32 GLY H 3.500 . 4.500 3.439 1.788 4.901 0.401 10 0 "[ . 1 . 2]" 1
371 1 32 GLY QA 1 33 HIS H 3.500 . 4.500 2.331 2.237 2.401 . 0 0 "[ . 1 . 2]" 1
372 1 32 GLY QA 1 33 HIS HD2 5.500 . 7.500 6.862 6.655 7.039 . 0 0 "[ . 1 . 2]" 1
373 1 33 HIS HA 1 33 HIS HD2 3.500 . 4.500 4.564 3.871 4.760 0.260 9 0 "[ . 1 . 2]" 1
374 1 33 HIS QB 1 33 HIS HD2 3.500 . 4.500 2.725 2.525 2.790 . 0 0 "[ . 1 . 2]" 1
375 1 33 HIS QB 1 35 TYR QD 3.500 . 4.500 3.885 2.633 4.659 0.159 10 0 "[ . 1 . 2]" 1
376 1 33 HIS QB 1 35 TYR QE 3.500 . 4.500 2.565 2.193 3.442 . 0 0 "[ . 1 . 2]" 1
377 1 33 HIS HD2 1 35 TYR QD 3.500 . 4.500 3.592 2.703 5.410 0.910 4 1 "[ +. 1 . 2]" 1
378 1 33 HIS HD2 1 35 TYR QE 3.500 . 4.500 3.583 2.653 5.208 0.708 20 2 "[ -. 1 . +]" 1
379 1 34 CYS H 1 34 CYS QB 3.500 . 4.500 2.446 2.407 2.471 . 0 0 "[ . 1 . 2]" 1
380 1 34 CYS H 1 35 TYR H 3.500 . 4.500 4.639 4.556 4.698 0.198 1 0 "[ . 1 . 2]" 1
381 1 34 CYS H 1 35 TYR QD 3.500 . 4.500 5.006 4.476 5.722 1.222 10 8 "[ - .* **+ * ** 2]" 1
382 1 34 CYS HA 1 35 TYR HA 3.500 . 4.500 4.453 4.423 4.476 . 0 0 "[ . 1 . 2]" 1
383 1 34 CYS HA 1 35 TYR QD 3.500 . 4.500 4.301 4.083 4.548 0.048 8 0 "[ . 1 . 2]" 1
384 1 34 CYS HA 1 35 TYR QE 3.500 . 4.500 4.996 4.672 5.441 0.941 5 9 "[ * + ***- * . ** 2]" 1
385 1 34 CYS QB 1 35 TYR H 3.500 . 4.500 2.938 2.762 3.082 . 0 0 "[ . 1 . 2]" 1
386 1 35 TYR H 1 35 TYR QB 3.500 . 4.500 2.796 2.655 3.347 . 0 0 "[ . 1 . 2]" 1
387 1 35 TYR H 1 35 TYR QD 3.500 . 4.500 3.507 3.129 3.702 . 0 0 "[ . 1 . 2]" 1
388 1 35 TYR H 1 36 LYS HA 3.500 . 4.500 4.865 4.650 4.960 0.460 11 0 "[ . 1 . 2]" 1
389 1 35 TYR HA 1 35 TYR QD 3.500 . 4.500 2.569 2.359 3.725 . 0 0 "[ . 1 . 2]" 1
390 1 35 TYR HA 1 35 TYR QE 5.500 3.000 8.500 4.797 4.677 5.636 . 0 0 "[ . 1 . 2]" 1
391 1 35 TYR HA 1 36 LYS QG 5.500 . 7.500 5.516 3.682 5.957 . 0 0 "[ . 1 . 2]" 1
392 1 35 TYR QB 1 35 TYR QE 3.500 . 4.500 3.945 3.923 3.978 . 0 0 "[ . 1 . 2]" 1
393 1 35 TYR QB 1 36 LYS H 3.500 . 4.500 2.457 2.323 2.624 . 0 0 "[ . 1 . 2]" 1
394 1 35 TYR QD 1 36 LYS H 3.500 . 4.500 4.239 3.958 4.438 . 0 0 "[ . 1 . 2]" 1
395 1 35 TYR QD 1 37 ILE MD 3.500 . 4.500 4.835 4.228 5.160 0.660 19 8 "[ .* ** *** -+2]" 1
396 1 35 TYR QE 1 37 ILE MD 3.500 . 4.500 6.289 5.082 6.691 2.191 14 20 [*************+*****-] 1
397 1 35 TYR QE 1 37 ILE MG 5.500 . 7.500 8.370 7.451 8.901 1.401 2 17 "[*+**.****** ****-**2]" 1
398 1 36 LYS H 1 36 LYS QD 3.500 . 4.500 4.891 4.305 5.239 0.739 19 9 "[ * * 1* * **-*+2]" 1
399 1 36 LYS H 1 36 LYS QG 3.500 . 4.500 3.750 2.344 4.119 . 0 0 "[ . 1 . 2]" 1
400 1 36 LYS H 1 37 ILE H 3.500 . 4.500 4.432 4.380 4.505 0.005 14 0 "[ . 1 . 2]" 1
401 1 36 LYS HA 1 36 LYS QD 3.500 . 4.500 4.244 4.061 4.325 . 0 0 "[ . 1 . 2]" 1
402 1 36 LYS HA 1 36 LYS QG 3.500 . 4.500 2.670 2.461 3.413 . 0 0 "[ . 1 . 2]" 1
403 1 36 LYS HA 1 37 ILE HB 3.500 . 4.500 4.589 4.459 4.728 0.228 2 0 "[ . 1 . 2]" 1
404 1 36 LYS QB 1 37 ILE H 3.500 . 4.500 3.539 2.501 3.832 . 0 0 "[ . 1 . 2]" 1
405 1 36 LYS QB 1 37 ILE HA 3.500 . 4.500 4.679 4.447 4.813 0.313 19 0 "[ . 1 . 2]" 1
406 1 36 LYS QB 1 38 ILE MG 3.500 . 4.500 3.792 3.091 5.474 0.974 16 2 "[ - . 1 .+ 2]" 1
407 1 36 LYS QD 1 37 ILE H 3.500 . 4.500 4.609 4.469 4.747 0.247 8 0 "[ . 1 . 2]" 1
408 1 36 LYS QD 1 38 ILE MG 3.500 . 4.500 2.811 2.297 3.722 . 0 0 "[ . 1 . 2]" 1
409 1 36 LYS QE 1 38 ILE MD 3.500 . 4.500 3.662 2.445 4.937 0.437 7 0 "[ . 1 . 2]" 1
410 1 36 LYS QE 1 38 ILE MG 3.500 . 4.500 3.558 2.078 5.591 1.091 3 2 "[ + . 1 .- 2]" 1
411 1 36 LYS QG 1 37 ILE H 3.500 . 4.500 2.904 2.591 3.984 . 0 0 "[ . 1 . 2]" 1
412 1 36 LYS QG 1 38 ILE MD 3.500 . 4.500 2.991 2.240 3.300 . 0 0 "[ . 1 . 2]" 1
413 1 36 LYS QG 1 38 ILE MG 3.500 . 4.500 2.564 2.062 4.340 . 0 0 "[ . 1 . 2]" 1
414 1 37 ILE H 1 37 ILE MD 3.500 . 4.500 3.867 3.700 4.174 . 0 0 "[ . 1 . 2]" 1
415 1 37 ILE H 1 37 ILE HG12 3.500 . 4.500 3.942 2.662 4.205 . 0 0 "[ . 1 . 2]" 1
416 1 37 ILE H 1 37 ILE HG13 3.500 . 4.500 2.978 2.705 3.986 . 0 0 "[ . 1 . 2]" 1
417 1 37 ILE H 1 38 ILE MG 3.500 . 4.500 4.302 3.924 6.176 1.676 3 2 "[ + . 1 .- 2]" 1
418 1 37 ILE HA 1 37 ILE MD 3.500 . 4.500 3.724 2.212 3.928 . 0 0 "[ . 1 . 2]" 1
419 1 37 ILE HA 1 37 ILE HG12 3.500 . 4.500 2.631 2.427 3.182 . 0 0 "[ . 1 . 2]" 1
420 1 37 ILE HA 1 37 ILE HG13 3.500 . 4.500 2.934 2.769 3.841 . 0 0 "[ . 1 . 2]" 1
421 1 37 ILE MD 1 38 ILE MD 3.500 . 4.500 5.690 4.507 5.998 1.498 19 18 "[* * ************-*+*]" 1
422 1 37 ILE HG12 1 37 ILE MG 3.500 . 4.500 2.513 2.362 3.282 . 0 0 "[ . 1 . 2]" 1
423 1 37 ILE HG13 1 37 ILE MG 3.500 . 4.500 3.190 2.349 3.318 . 0 0 "[ . 1 . 2]" 1
424 1 37 ILE MG 1 38 ILE HA 3.500 . 4.500 3.415 3.181 3.716 . 0 0 "[ . 1 . 2]" 1
425 1 37 ILE MG 1 39 GLY H 3.500 . 4.500 4.424 3.920 4.829 0.329 6 0 "[ . 1 . 2]" 1
426 1 37 ILE MG 1 39 GLY QA 5.500 . 7.500 4.284 3.488 4.777 . 0 0 "[ . 1 . 2]" 1
427 1 38 ILE H 1 38 ILE HB 3.500 . 4.500 3.693 2.703 3.864 . 0 0 "[ . 1 . 2]" 1
428 1 38 ILE H 1 38 ILE MD 3.500 . 4.500 2.158 2.039 2.352 . 0 0 "[ . 1 . 2]" 1
429 1 38 ILE H 1 38 ILE QG 3.500 . 4.500 2.758 2.382 3.359 . 0 0 "[ . 1 . 2]" 1
430 1 38 ILE H 1 38 ILE MG 3.500 . 4.500 3.283 3.172 3.907 . 0 0 "[ . 1 . 2]" 1
431 1 38 ILE H 1 39 GLY H 3.500 . 4.500 4.406 4.362 4.433 . 0 0 "[ . 1 . 2]" 1
432 1 38 ILE HA 1 38 ILE MD 3.500 . 4.500 3.725 3.519 3.761 . 0 0 "[ . 1 . 2]" 1
433 1 38 ILE HA 1 38 ILE QG 3.500 . 4.500 3.406 2.551 3.530 . 0 0 "[ . 1 . 2]" 1
434 1 38 ILE HA 1 39 GLY QA 3.500 . 4.500 3.960 3.875 4.031 . 0 0 "[ . 1 . 2]" 1
435 1 38 ILE HB 1 38 ILE MD 3.500 . 4.500 3.184 2.101 3.324 . 0 0 "[ . 1 . 2]" 1
436 1 38 ILE MD 1 39 GLY H 3.500 . 4.500 5.017 4.834 5.181 0.681 16 11 "[*** * -**1*** .+ 2]" 1
437 1 38 ILE QG 1 39 GLY H 3.500 . 4.500 3.983 3.649 4.597 0.097 16 0 "[ . 1 . 2]" 1
438 1 38 ILE MG 1 39 GLY H 3.500 . 4.500 3.551 2.723 3.806 . 0 0 "[ . 1 . 2]" 1
439 1 38 ILE MG 1 39 GLY QA 3.500 . 4.500 4.705 3.044 4.949 0.449 13 0 "[ . 1 . 2]" 1
440 1 39 GLY H 1 40 ASN H 3.500 . 4.500 3.850 2.437 4.505 0.005 19 0 "[ . 1 . 2]" 1
441 1 39 GLY QA 1 40 ASN H 3.500 . 4.500 2.421 2.177 2.945 . 0 0 "[ . 1 . 2]" 1
442 1 40 ASN H 1 40 ASN HB2 3.500 . 4.500 3.043 2.385 3.740 . 0 0 "[ . 1 . 2]" 1
443 1 40 ASN H 1 40 ASN HB3 3.500 . 4.500 3.161 2.521 4.036 . 0 0 "[ . 1 . 2]" 1
444 1 40 ASN H 1 40 ASN QD 3.500 . 4.500 3.903 2.821 5.289 0.789 15 2 "[ - 1 + 2]" 1
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