NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526013 |
2ldr   |
17680 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ldr
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 1317
_Distance_constraint_stats_list.Viol_count 506
_Distance_constraint_stats_list.Viol_total 57.041
_Distance_constraint_stats_list.Viol_max 0.109
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0056
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.002 0.001 1 0 "[ . 1 . 2]"
1 7 ASP 0.004 0.002 2 0 "[ . 1 . 2]"
1 8 HIS 0.008 0.002 2 0 "[ . 1 . 2]"
1 9 ILE 0.010 0.003 1 0 "[ . 1 . 2]"
1 10 LYS 0.004 0.002 17 0 "[ . 1 . 2]"
1 11 VAL 0.004 0.002 19 0 "[ . 1 . 2]"
1 12 THR 0.009 0.008 1 0 "[ . 1 . 2]"
1 13 GLN 0.003 0.001 18 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.040 0.028 1 0 "[ . 1 . 2]"
1 16 TYR 0.035 0.028 1 0 "[ . 1 . 2]"
1 17 GLU 0.010 0.005 20 0 "[ . 1 . 2]"
1 18 LEU 0.032 0.010 4 0 "[ . 1 . 2]"
1 19 PTR 0.014 0.007 1 0 "[ . 1 . 2]"
1 20 CYS 0.010 0.009 19 0 "[ . 1 . 2]"
1 21 GLU 0.055 0.015 7 0 "[ . 1 . 2]"
1 22 MET 0.047 0.015 7 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.005 0.004 10 0 "[ . 1 . 2]"
1 25 THR 0.022 0.006 19 0 "[ . 1 . 2]"
1 26 PHE 0.004 0.002 19 0 "[ . 1 . 2]"
1 27 GLN 0.021 0.004 18 0 "[ . 1 . 2]"
1 28 LEU 0.096 0.019 15 0 "[ . 1 . 2]"
1 29 CYS 0.223 0.109 20 0 "[ . 1 . 2]"
1 30 LYS 0.179 0.109 20 0 "[ . 1 . 2]"
1 31 ILE 0.013 0.003 18 0 "[ . 1 . 2]"
1 32 CYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 33 ALA 0.025 0.011 18 0 "[ . 1 . 2]"
1 34 GLU 0.003 0.002 10 0 "[ . 1 . 2]"
1 35 ASN 0.018 0.007 15 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.029 0.007 15 0 "[ . 1 . 2]"
1 38 ASP 0.073 0.010 20 0 "[ . 1 . 2]"
1 39 VAL 0.242 0.021 14 0 "[ . 1 . 2]"
1 40 LYS 0.044 0.005 14 0 "[ . 1 . 2]"
1 41 ILE 0.137 0.019 19 0 "[ . 1 . 2]"
1 42 GLU 0.032 0.013 15 0 "[ . 1 . 2]"
1 43 PRO 0.041 0.014 15 0 "[ . 1 . 2]"
1 44 CYS 0.002 0.001 6 0 "[ . 1 . 2]"
1 45 GLY 0.007 0.003 17 0 "[ . 1 . 2]"
1 46 HIS 0.103 0.011 14 0 "[ . 1 . 2]"
1 47 LEU 0.274 0.028 14 0 "[ . 1 . 2]"
1 48 MET 0.183 0.028 14 0 "[ . 1 . 2]"
1 49 CYS 0.129 0.044 18 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.003 0.002 10 0 "[ . 1 . 2]"
1 52 CYS 0.078 0.044 18 0 "[ . 1 . 2]"
1 53 LEU 0.352 0.040 13 0 "[ . 1 . 2]"
1 54 THR 0.242 0.040 13 0 "[ . 1 . 2]"
1 55 ALA 0.040 0.019 19 0 "[ . 1 . 2]"
1 56 TRP 0.365 0.088 2 0 "[ . 1 . 2]"
1 57 GLN 0.381 0.088 2 0 "[ . 1 . 2]"
1 58 GLU 0.047 0.023 17 0 "[ . 1 . 2]"
1 59 SER 0.084 0.044 11 0 "[ . 1 . 2]"
1 60 ASP 0.037 0.030 11 0 "[ . 1 . 2]"
1 61 GLY 0.101 0.013 5 0 "[ . 1 . 2]"
1 62 GLN 0.036 0.010 20 0 "[ . 1 . 2]"
1 63 GLY 0.009 0.004 19 0 "[ . 1 . 2]"
1 64 CYS 0.062 0.019 18 0 "[ . 1 . 2]"
1 65 PRO 0.090 0.019 18 0 "[ . 1 . 2]"
1 66 PHE 0.003 0.003 19 0 "[ . 1 . 2]"
1 67 CYS 0.007 0.002 19 0 "[ . 1 . 2]"
1 68 ARG 0.017 0.009 15 0 "[ . 1 . 2]"
1 69 CYS 0.006 0.002 19 0 "[ . 1 . 2]"
1 70 GLU 0.007 0.004 9 0 "[ . 1 . 2]"
1 71 ILE 0.061 0.015 15 0 "[ . 1 . 2]"
1 72 LYS 0.051 0.025 15 0 "[ . 1 . 2]"
1 73 GLY 0.056 0.015 15 0 "[ . 1 . 2]"
1 74 THR 0.085 0.008 14 0 "[ . 1 . 2]"
1 75 GLU 0.077 0.056 16 0 "[ . 1 . 2]"
1 76 PRO 0.147 0.056 16 0 "[ . 1 . 2]"
1 77 ILE 0.130 0.016 2 0 "[ . 1 . 2]"
1 78 ILE 0.053 0.013 17 0 "[ . 1 . 2]"
1 79 VAL 0.084 0.013 17 0 "[ . 1 . 2]"
1 80 ASP 0.155 0.010 16 0 "[ . 1 . 2]"
1 81 PRO 0.132 0.010 16 0 "[ . 1 . 2]"
1 82 PHE 0.003 0.003 8 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 1 GLY QA 1 2 PRO QD . . 2.880 2.055 1.938 2.257 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HG2 1 3 HIS H . . 4.500 4.485 4.480 4.500 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLY H 1 6 SER H . . 4.820 3.056 1.923 4.602 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLY QA 1 6 SER H . . 3.480 2.650 2.197 2.985 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER H 1 6 SER QB . . 3.680 2.666 2.244 3.233 . 0 0 "[ . 1 . 2]" 1
6 1 6 SER H 1 7 ASP H . . 5.000 4.499 4.296 4.668 . 0 0 "[ . 1 . 2]" 1
7 1 6 SER HA 1 7 ASP H . . 3.140 2.309 2.226 2.411 . 0 0 "[ . 1 . 2]" 1
8 1 6 SER HA 1 76 PRO HG2 . . 4.950 3.805 3.649 4.029 . 0 0 "[ . 1 . 2]" 1
9 1 6 SER HA 1 76 PRO HG3 . . 5.500 5.446 5.300 5.501 0.001 1 0 "[ . 1 . 2]" 1
10 1 6 SER QB 1 7 ASP H . . 3.930 2.981 2.639 3.727 . 0 0 "[ . 1 . 2]" 1
11 1 6 SER QB 1 7 ASP QB . . 5.200 4.588 4.259 5.199 . 0 0 "[ . 1 . 2]" 1
12 1 6 SER QB 1 76 PRO QB . . 4.780 3.545 2.848 4.156 . 0 0 "[ . 1 . 2]" 1
13 1 6 SER QB 1 76 PRO HG2 . . 5.440 4.014 3.240 4.722 . 0 0 "[ . 1 . 2]" 1
14 1 6 SER QB 1 77 ILE HA . . 4.350 2.753 2.278 3.514 . 0 0 "[ . 1 . 2]" 1
15 1 6 SER QB 1 78 ILE H . . 5.370 3.703 3.282 4.423 . 0 0 "[ . 1 . 2]" 1
16 1 6 SER QB 1 78 ILE HB . . 4.200 3.961 3.595 4.201 0.001 2 0 "[ . 1 . 2]" 1
17 1 6 SER QB 1 78 ILE MD . . 3.950 3.185 1.813 3.951 0.001 1 0 "[ . 1 . 2]" 1
18 1 6 SER QB 1 78 ILE HG12 . . 4.750 3.697 2.616 4.749 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER QB 1 78 ILE QG . . 4.000 2.662 2.018 3.871 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER QB 1 78 ILE HG13 . . 4.750 2.945 2.034 4.329 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER QB 1 78 ILE MG . . 5.310 4.841 4.504 5.233 . 0 0 "[ . 1 . 2]" 1
22 1 7 ASP H 1 7 ASP HB2 . . 3.620 2.329 2.127 2.754 . 0 0 "[ . 1 . 2]" 1
23 1 7 ASP H 1 7 ASP HB3 . . 3.620 3.158 2.693 3.571 . 0 0 "[ . 1 . 2]" 1
24 1 7 ASP H 1 77 ILE H . . 4.920 4.546 4.382 4.647 . 0 0 "[ . 1 . 2]" 1
25 1 7 ASP H 1 77 ILE HA . . 4.320 2.103 1.951 2.315 . 0 0 "[ . 1 . 2]" 1
26 1 7 ASP H 1 77 ILE HG12 . . 5.500 5.422 4.882 5.501 0.001 17 0 "[ . 1 . 2]" 1
27 1 7 ASP H 1 77 ILE HG13 . . 5.500 5.347 5.027 5.452 . 0 0 "[ . 1 . 2]" 1
28 1 7 ASP H 1 77 ILE MG . . 4.030 2.551 1.939 2.972 . 0 0 "[ . 1 . 2]" 1
29 1 7 ASP HA 1 8 HIS H . . 3.080 2.679 2.519 2.782 . 0 0 "[ . 1 . 2]" 1
30 1 7 ASP QB 1 8 HIS H . . 3.460 2.460 1.952 3.069 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASP QB 1 77 ILE MD . . 4.130 3.477 3.138 3.981 . 0 0 "[ . 1 . 2]" 1
32 1 7 ASP QB 1 78 ILE H . . 4.900 3.783 3.506 4.178 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASP HB2 1 8 HIS H . . 3.960 3.644 2.944 3.962 0.002 2 0 "[ . 1 . 2]" 1
34 1 7 ASP HB2 1 77 ILE MD . . 4.950 4.318 3.614 4.951 0.001 2 0 "[ . 1 . 2]" 1
35 1 7 ASP HB2 1 77 ILE MG . . 3.880 2.348 1.830 2.996 . 0 0 "[ . 1 . 2]" 1
36 1 7 ASP HB3 1 8 HIS H . . 3.960 2.513 1.965 3.201 . 0 0 "[ . 1 . 2]" 1
37 1 7 ASP HB3 1 77 ILE MD . . 4.950 3.888 3.198 4.951 0.001 17 0 "[ . 1 . 2]" 1
38 1 7 ASP HB3 1 77 ILE MG . . 3.880 2.941 2.216 3.504 . 0 0 "[ . 1 . 2]" 1
39 1 8 HIS H 1 8 HIS QB . . 3.310 2.570 2.452 2.638 . 0 0 "[ . 1 . 2]" 1
40 1 8 HIS H 1 8 HIS HD2 . . 4.600 4.561 4.267 4.602 0.002 1 0 "[ . 1 . 2]" 1
41 1 8 HIS H 1 9 ILE H . . 5.500 4.328 4.197 4.411 . 0 0 "[ . 1 . 2]" 1
42 1 8 HIS HA 1 9 ILE H . . 3.180 2.252 2.187 2.344 . 0 0 "[ . 1 . 2]" 1
43 1 8 HIS HA 1 9 ILE HA . . 4.860 4.392 4.369 4.435 . 0 0 "[ . 1 . 2]" 1
44 1 8 HIS HA 1 9 ILE HB . . 4.770 4.319 4.212 4.673 . 0 0 "[ . 1 . 2]" 1
45 1 8 HIS HA 1 78 ILE H . . 3.840 2.684 2.525 2.921 . 0 0 "[ . 1 . 2]" 1
46 1 8 HIS HA 1 78 ILE HB . . 3.710 3.241 3.142 3.491 . 0 0 "[ . 1 . 2]" 1
47 1 8 HIS QB 1 9 ILE H . . 3.940 3.131 2.799 3.550 . 0 0 "[ . 1 . 2]" 1
48 1 8 HIS QB 1 78 ILE H . . 5.500 4.712 4.582 4.900 . 0 0 "[ . 1 . 2]" 1
49 1 8 HIS QB 1 78 ILE MG . . 4.750 4.556 4.076 4.751 0.001 19 0 "[ . 1 . 2]" 1
50 1 8 HIS HE1 1 78 ILE MD . . 4.490 2.721 1.977 4.177 . 0 0 "[ . 1 . 2]" 1
51 1 8 HIS HE1 1 78 ILE MG . . 4.300 2.052 1.919 2.542 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE H 1 9 ILE HB . . 3.630 2.494 2.276 2.655 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE H 1 9 ILE HG12 . . 4.450 3.945 3.131 4.449 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 9 ILE QG . . 3.910 3.133 2.407 3.624 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE H 1 9 ILE HG13 . . 4.450 3.451 2.461 4.278 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE H 1 9 ILE MG . . 3.930 3.681 3.560 3.812 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE H 1 77 ILE MD . . 4.520 3.113 2.551 3.609 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE H 1 78 ILE H . . 4.830 4.020 3.634 4.445 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE H 1 78 ILE HB . . 4.670 4.646 4.459 4.673 0.003 1 0 "[ . 1 . 2]" 1
60 1 9 ILE H 1 79 VAL HA . . 3.850 2.679 2.394 3.258 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE HA 1 9 ILE MD . . 3.900 3.332 2.140 3.808 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE HA 1 9 ILE HG12 . . 3.960 2.491 2.259 3.403 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 9 ILE QG . . 3.390 2.321 2.099 2.511 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE HA 1 9 ILE HG13 . . 3.960 3.035 2.118 3.662 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE HA 1 9 ILE MG . . 3.180 2.548 2.380 2.644 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE HA 1 10 LYS H . . 2.920 2.325 2.180 2.414 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE HA 1 10 LYS QB . . 4.350 3.935 3.855 4.019 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE HA 1 80 ASP H . . 5.460 4.945 4.720 5.449 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE HB 1 9 ILE MD . . 3.490 2.521 2.083 3.185 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE HB 1 10 LYS H . . 5.480 4.105 3.839 4.576 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE HB 1 79 VAL HA . . 3.780 2.276 2.018 2.918 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE HB 1 79 VAL MG1 . . 4.230 2.762 2.171 3.350 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE HB 1 79 VAL MG2 . . 3.900 2.792 2.368 3.875 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE HB 1 80 ASP H . . 4.460 3.525 2.969 4.194 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE MD 1 26 PHE HZ . . 4.700 4.153 3.495 4.701 0.001 2 0 "[ . 1 . 2]" 1
76 1 9 ILE QG 1 10 LYS H . . 4.900 3.931 3.602 4.426 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE QG 1 77 ILE MD . . 3.850 2.391 1.868 3.499 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE MG 1 10 LYS H . . 3.500 2.178 1.915 3.065 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE MG 1 26 PHE QE . . 3.740 2.442 1.923 3.048 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE MG 1 79 VAL HA . . 4.530 3.340 2.924 3.758 . 0 0 "[ . 1 . 2]" 1
81 1 10 LYS H 1 10 LYS HB2 . . 3.220 2.887 2.157 3.219 . 0 0 "[ . 1 . 2]" 1
82 1 10 LYS H 1 10 LYS HB3 . . 3.220 2.703 2.427 3.007 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS H 1 10 LYS HG2 . . 4.910 4.684 4.255 4.908 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS H 1 10 LYS QG . . 4.230 4.064 3.707 4.208 . 0 0 "[ . 1 . 2]" 1
85 1 10 LYS H 1 10 LYS HG3 . . 4.910 4.503 4.080 4.898 . 0 0 "[ . 1 . 2]" 1
86 1 10 LYS HA 1 10 LYS QD . . 3.770 2.438 1.937 3.676 . 0 0 "[ . 1 . 2]" 1
87 1 10 LYS HA 1 11 VAL H . . 3.080 2.252 2.177 2.363 . 0 0 "[ . 1 . 2]" 1
88 1 10 LYS HA 1 11 VAL MG2 . . 4.150 3.777 3.481 4.017 . 0 0 "[ . 1 . 2]" 1
89 1 10 LYS HA 1 80 ASP H . . 4.180 3.429 3.030 4.007 . 0 0 "[ . 1 . 2]" 1
90 1 10 LYS HA 1 80 ASP HB2 . . 4.120 2.885 2.180 3.897 . 0 0 "[ . 1 . 2]" 1
91 1 10 LYS HA 1 80 ASP QB . . 3.430 2.601 2.122 3.115 . 0 0 "[ . 1 . 2]" 1
92 1 10 LYS HA 1 80 ASP HB3 . . 4.120 3.622 2.145 4.122 0.002 17 0 "[ . 1 . 2]" 1
93 1 10 LYS QB 1 11 VAL H . . 3.950 3.666 3.273 3.916 . 0 0 "[ . 1 . 2]" 1
94 1 10 LYS QB 1 80 ASP QB . . 4.660 4.014 3.275 4.637 . 0 0 "[ . 1 . 2]" 1
95 1 10 LYS HB2 1 11 VAL H . . 4.560 4.265 3.865 4.525 . 0 0 "[ . 1 . 2]" 1
96 1 10 LYS HB3 1 11 VAL H . . 4.560 4.027 3.394 4.465 . 0 0 "[ . 1 . 2]" 1
97 1 10 LYS QD 1 11 VAL H . . 4.280 2.368 1.936 3.327 . 0 0 "[ . 1 . 2]" 1
98 1 10 LYS QD 1 11 VAL HA . . 5.340 4.517 3.579 5.317 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS QD 1 80 ASP QB . . 4.760 3.251 2.169 4.759 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS HE2 1 10 LYS HG2 . . 4.060 3.051 2.050 3.977 . 0 0 "[ . 1 . 2]" 1
101 1 10 LYS HE2 1 10 LYS HG3 . . 4.060 3.302 2.472 3.949 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS HE3 1 10 LYS HG2 . . 4.060 3.144 2.367 3.988 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS HE3 1 10 LYS HG3 . . 4.060 3.377 2.036 4.012 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS QG 1 11 VAL H . . 4.130 2.795 2.091 3.330 . 0 0 "[ . 1 . 2]" 1
105 1 10 LYS HG2 1 11 VAL H . . 4.750 3.804 2.530 4.750 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS HG3 1 11 VAL H . . 4.750 3.317 2.102 4.392 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL H 1 11 VAL HB . . 3.360 2.271 2.147 2.414 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL H 1 11 VAL MG1 . . 3.800 3.650 3.595 3.733 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL H 1 11 VAL MG2 . . 3.080 2.718 2.250 3.041 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL H 1 80 ASP H . . 4.810 4.174 3.471 4.688 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL H 1 80 ASP HB2 . . 4.820 4.141 3.543 4.808 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL H 1 80 ASP QB . . 4.120 3.612 3.135 4.106 . 0 0 "[ . 1 . 2]" 1
113 1 11 VAL H 1 80 ASP HB3 . . 4.820 4.250 3.178 4.753 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL HA 1 11 VAL MG1 . . 3.420 2.531 2.409 2.616 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL HA 1 11 VAL MG2 . . 3.170 2.286 2.160 2.370 . 0 0 "[ . 1 . 2]" 1
116 1 11 VAL HA 1 12 THR H . . 2.960 2.350 2.186 2.473 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL HA 1 12 THR MG . . 3.940 3.574 3.122 3.835 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL HA 1 15 GLN HB2 . . 4.860 4.148 3.846 4.595 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL HA 1 15 GLN HB3 . . 5.500 5.054 4.684 5.489 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL HB 1 12 THR H . . 5.140 4.052 3.777 4.448 . 0 0 "[ . 1 . 2]" 1
121 1 11 VAL HB 1 81 PRO HA . . 3.460 2.210 2.013 2.497 . 0 0 "[ . 1 . 2]" 1
122 1 11 VAL HB 1 82 PHE H . . 3.700 2.612 2.217 3.178 . 0 0 "[ . 1 . 2]" 1
123 1 11 VAL HB 1 82 PHE HA . . 4.010 3.174 2.614 3.980 . 0 0 "[ . 1 . 2]" 1
124 1 11 VAL HB 1 82 PHE HB2 . . 4.320 3.404 2.622 3.820 . 0 0 "[ . 1 . 2]" 1
125 1 11 VAL HB 1 82 PHE QB . . 3.600 3.241 2.592 3.575 . 0 0 "[ . 1 . 2]" 1
126 1 11 VAL HB 1 82 PHE HB3 . . 4.320 4.116 3.487 4.320 . 0 0 "[ . 1 . 2]" 1
127 1 11 VAL MG1 1 12 THR H . . 3.660 2.064 1.838 2.662 . 0 0 "[ . 1 . 2]" 1
128 1 11 VAL MG1 1 15 GLN H . . 4.400 3.786 3.519 4.153 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL MG1 1 15 GLN HB2 . . 3.540 2.054 1.960 2.532 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL MG1 1 15 GLN HB3 . . 3.900 3.108 2.841 3.701 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL MG1 1 15 GLN HG2 . . 4.470 4.215 3.618 4.466 . 0 0 "[ . 1 . 2]" 1
132 1 11 VAL MG1 1 15 GLN HG3 . . 4.780 3.369 2.423 4.212 . 0 0 "[ . 1 . 2]" 1
133 1 11 VAL MG1 1 16 TYR H . . 3.760 2.825 2.319 3.478 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL MG1 1 16 TYR HA . . 4.160 3.720 3.190 4.119 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL MG1 1 16 TYR QB . . 3.260 2.772 2.180 3.261 0.001 20 0 "[ . 1 . 2]" 1
136 1 11 VAL MG1 1 16 TYR QD . . 4.130 3.682 2.425 4.114 . 0 0 "[ . 1 . 2]" 1
137 1 11 VAL MG1 1 26 PHE QB . . 3.250 2.860 2.413 3.206 . 0 0 "[ . 1 . 2]" 1
138 1 11 VAL MG1 1 27 GLN H . . 4.820 4.728 4.457 4.820 0.000 15 0 "[ . 1 . 2]" 1
139 1 11 VAL MG1 1 82 PHE H . . 4.200 2.544 1.950 3.311 . 0 0 "[ . 1 . 2]" 1
140 1 11 VAL MG1 1 82 PHE HB2 . . 4.330 2.239 1.979 2.797 . 0 0 "[ . 1 . 2]" 1
141 1 11 VAL MG1 1 82 PHE QB . . 3.500 2.173 1.927 2.463 . 0 0 "[ . 1 . 2]" 1
142 1 11 VAL MG1 1 82 PHE HB3 . . 4.330 3.044 2.461 3.506 . 0 0 "[ . 1 . 2]" 1
143 1 11 VAL MG1 1 82 PHE QD . . 4.870 3.992 3.312 4.333 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL MG2 1 12 THR H . . 4.280 3.716 3.482 3.951 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL MG2 1 26 PHE HA . . 5.270 4.685 4.153 5.200 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL MG2 1 26 PHE HB2 . . 3.530 2.896 2.058 3.501 . 0 0 "[ . 1 . 2]" 1
147 1 11 VAL MG2 1 26 PHE QB . . 3.050 2.193 1.858 2.709 . 0 0 "[ . 1 . 2]" 1
148 1 11 VAL MG2 1 26 PHE HB3 . . 3.530 2.281 1.941 2.821 . 0 0 "[ . 1 . 2]" 1
149 1 11 VAL MG2 1 26 PHE QD . . 3.710 2.126 1.839 2.655 . 0 0 "[ . 1 . 2]" 1
150 1 11 VAL MG2 1 27 GLN H . . 4.270 3.241 3.045 3.565 . 0 0 "[ . 1 . 2]" 1
151 1 11 VAL MG2 1 27 GLN HE22 . . 4.430 3.215 2.471 3.854 . 0 0 "[ . 1 . 2]" 1
152 1 11 VAL MG2 1 80 ASP HA . . 5.440 4.405 4.256 4.595 . 0 0 "[ . 1 . 2]" 1
153 1 11 VAL MG2 1 81 PRO HA . . 3.290 2.117 1.998 2.213 . 0 0 "[ . 1 . 2]" 1
154 1 11 VAL MG2 1 81 PRO HB2 . . 4.600 4.540 4.408 4.602 0.002 19 0 "[ . 1 . 2]" 1
155 1 11 VAL MG2 1 81 PRO HB3 . . 4.780 3.791 3.553 4.048 . 0 0 "[ . 1 . 2]" 1
156 1 11 VAL MG2 1 82 PHE H . . 3.950 3.714 3.448 3.950 . 0 0 "[ . 1 . 2]" 1
157 1 12 THR H 1 12 THR MG . . 3.130 2.871 2.589 3.122 . 0 0 "[ . 1 . 2]" 1
158 1 12 THR H 1 13 GLN H . . 4.930 4.504 4.387 4.608 . 0 0 "[ . 1 . 2]" 1
159 1 12 THR H 1 15 GLN H . . 4.780 3.509 3.316 3.715 . 0 0 "[ . 1 . 2]" 1
160 1 12 THR H 1 15 GLN HB2 . . 3.500 2.720 2.339 3.247 . 0 0 "[ . 1 . 2]" 1
161 1 12 THR H 1 15 GLN HB3 . . 4.570 4.122 3.788 4.555 . 0 0 "[ . 1 . 2]" 1
162 1 12 THR H 1 15 GLN HG2 . . 4.250 3.847 3.177 4.258 0.008 1 0 "[ . 1 . 2]" 1
163 1 12 THR H 1 15 GLN HG3 . . 3.620 2.618 2.057 3.427 . 0 0 "[ . 1 . 2]" 1
164 1 12 THR HA 1 12 THR MG . . 3.090 2.332 2.211 2.468 . 0 0 "[ . 1 . 2]" 1
165 1 12 THR HA 1 13 GLN H . . 3.240 2.381 2.200 2.716 . 0 0 "[ . 1 . 2]" 1
166 1 12 THR HA 1 14 GLU H . . 4.630 4.286 3.877 4.535 . 0 0 "[ . 1 . 2]" 1
167 1 12 THR HB 1 13 GLN H . . 3.490 2.766 2.102 3.268 . 0 0 "[ . 1 . 2]" 1
168 1 12 THR HB 1 14 GLU H . . 3.820 2.824 2.602 3.114 . 0 0 "[ . 1 . 2]" 1
169 1 12 THR HB 1 15 GLN H . . 4.140 3.737 3.438 4.112 . 0 0 "[ . 1 . 2]" 1
170 1 12 THR MG 1 13 GLN H . . 4.140 3.764 3.491 3.973 . 0 0 "[ . 1 . 2]" 1
171 1 12 THR MG 1 14 GLU H . . 4.900 4.438 4.268 4.705 . 0 0 "[ . 1 . 2]" 1
172 1 12 THR MG 1 15 GLN H . . 4.740 4.593 4.266 4.740 . 0 0 "[ . 1 . 2]" 1
173 1 12 THR MG 1 15 GLN HG2 . . 5.260 4.729 3.784 5.261 0.001 1 0 "[ . 1 . 2]" 1
174 1 12 THR MG 1 15 GLN HG3 . . 4.690 3.884 3.259 4.312 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLN H 1 13 GLN HB2 . . 3.860 2.291 2.196 2.518 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLN H 1 13 GLN QB . . 3.210 2.263 2.173 2.469 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLN H 1 13 GLN HB3 . . 3.860 3.516 3.477 3.566 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLN H 1 13 GLN QE . . 4.950 4.686 4.152 4.950 0.000 20 0 "[ . 1 . 2]" 1
179 1 13 GLN H 1 13 GLN HG2 . . 3.580 3.243 2.726 3.575 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLN H 1 13 GLN QG . . 3.060 2.548 2.225 2.754 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLN H 1 13 GLN HG3 . . 3.580 2.751 2.327 3.578 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLN H 1 14 GLU H . . 3.860 2.795 2.427 3.054 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLN H 1 82 PHE QE . . 4.370 4.047 2.543 4.358 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLN HA 1 13 GLN HG2 . . 3.720 2.197 2.086 2.434 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLN HA 1 13 GLN HG3 . . 3.720 3.181 2.928 3.626 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLN HA 1 15 GLN H . . 5.080 4.231 3.730 4.587 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLN HA 1 16 TYR H . . 4.570 3.506 3.135 3.882 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLN HA 1 16 TYR QB . . 3.730 2.570 2.078 2.795 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLN HA 1 82 PHE QE . . 4.380 4.337 4.190 4.381 0.001 3 0 "[ . 1 . 2]" 1
190 1 13 GLN QB 1 13 GLN QE . . 3.590 2.138 1.902 3.205 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLN QB 1 14 GLU H . . 2.990 2.726 2.484 2.899 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLN QB 1 82 PHE QE . . 4.770 4.135 3.605 4.355 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLN HB2 1 14 GLU H . . 3.650 2.842 2.593 3.051 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLN HB3 1 14 GLU H . . 3.650 3.515 3.113 3.650 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLN QE 1 17 GLU QG . . 4.240 3.469 2.385 4.241 0.001 18 0 "[ . 1 . 2]" 1
196 1 13 GLN QG 1 14 GLU H . . 4.440 4.327 4.125 4.439 . 0 0 "[ . 1 . 2]" 1
197 1 13 GLN QG 1 82 PHE HZ . . 4.160 2.881 2.538 3.687 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLN HG2 1 14 GLU H . . 5.180 4.956 4.725 5.119 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLN HG3 1 14 GLU H . . 5.180 4.786 4.466 5.163 . 0 0 "[ . 1 . 2]" 1
200 1 14 GLU H 1 14 GLU HB2 . . 3.580 3.549 3.532 3.561 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU H 1 14 GLU QB . . 2.970 2.467 2.337 2.666 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLU H 1 14 GLU HB3 . . 3.580 2.518 2.371 2.756 . 0 0 "[ . 1 . 2]" 1
203 1 14 GLU H 1 14 GLU HG2 . . 3.600 2.070 1.950 2.297 . 0 0 "[ . 1 . 2]" 1
204 1 14 GLU H 1 14 GLU HG3 . . 3.600 3.306 2.507 3.559 . 0 0 "[ . 1 . 2]" 1
205 1 14 GLU H 1 15 GLN H . . 3.310 2.825 2.659 2.999 . 0 0 "[ . 1 . 2]" 1
206 1 14 GLU HA 1 14 GLU HG2 . . 4.020 3.671 3.566 3.850 . 0 0 "[ . 1 . 2]" 1
207 1 14 GLU HA 1 14 GLU QG . . 3.420 3.324 3.265 3.333 . 0 0 "[ . 1 . 2]" 1
208 1 14 GLU HA 1 14 GLU HG3 . . 4.020 3.815 3.645 3.969 . 0 0 "[ . 1 . 2]" 1
209 1 14 GLU QB 1 15 GLN H . . 3.610 3.426 3.271 3.610 . 0 0 "[ . 1 . 2]" 1
210 1 14 GLU HB2 1 15 GLN H . . 4.170 3.737 3.496 3.988 . 0 0 "[ . 1 . 2]" 1
211 1 14 GLU HB3 1 15 GLN H . . 4.170 3.996 3.776 4.168 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLU HG2 1 15 GLN H . . 3.400 2.356 1.949 3.399 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLU HG3 1 15 GLN H . . 3.400 2.267 1.950 2.988 . 0 0 "[ . 1 . 2]" 1
214 1 15 GLN H 1 15 GLN HB2 . . 3.070 2.529 2.444 2.632 . 0 0 "[ . 1 . 2]" 1
215 1 15 GLN H 1 15 GLN HB3 . . 3.970 3.561 3.546 3.596 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLN H 1 15 GLN HG2 . . 3.990 2.637 1.951 3.509 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLN H 1 15 GLN HG3 . . 3.110 2.603 1.951 3.110 . 18 0 "[ . 1 . 2]" 1
218 1 15 GLN H 1 16 TYR H . . 3.410 2.814 2.585 3.038 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLN HA 1 15 GLN HG2 . . 3.290 2.617 2.277 2.811 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLN HA 1 15 GLN HG3 . . 3.850 3.452 2.728 3.821 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLN HA 1 18 LEU MD1 . . 4.850 3.923 1.968 4.849 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLN HA 1 18 LEU QD . . 4.120 3.218 1.966 4.104 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLN HA 1 18 LEU MD2 . . 4.850 3.932 2.808 4.840 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLN HB2 1 16 TYR H . . 3.750 2.264 2.089 3.154 . 0 0 "[ . 1 . 2]" 1
225 1 15 GLN HB3 1 16 TYR H . . 4.240 3.409 3.223 4.210 . 0 0 "[ . 1 . 2]" 1
226 1 15 GLN HB3 1 26 PHE H . . 5.500 5.366 4.789 5.501 0.001 1 0 "[ . 1 . 2]" 1
227 1 15 GLN HB3 1 26 PHE QB . . 4.520 3.262 2.813 4.081 . 0 0 "[ . 1 . 2]" 1
228 1 15 GLN QE 1 15 GLN HG3 . . 3.400 2.440 2.086 3.078 . 0 0 "[ . 1 . 2]" 1
229 1 15 GLN HE22 1 15 GLN HG3 . . 4.020 3.616 3.446 3.962 . 0 0 "[ . 1 . 2]" 1
230 1 15 GLN HG2 1 16 TYR H . . 4.840 4.515 4.133 4.868 0.028 1 0 "[ . 1 . 2]" 1
231 1 15 GLN HG3 1 16 TYR H . . 4.610 4.258 4.012 4.611 0.001 7 0 "[ . 1 . 2]" 1
232 1 16 TYR H 1 16 TYR QB . . 3.120 2.008 1.917 2.122 . 0 0 "[ . 1 . 2]" 1
233 1 16 TYR H 1 16 TYR QD . . 4.990 3.910 3.731 4.100 . 0 0 "[ . 1 . 2]" 1
234 1 16 TYR H 1 17 GLU HB2 . . 5.450 4.942 4.304 5.191 . 0 0 "[ . 1 . 2]" 1
235 1 16 TYR HA 1 16 TYR QD . . 4.080 2.120 1.998 2.376 . 0 0 "[ . 1 . 2]" 1
236 1 16 TYR HA 1 16 TYR QE . . 4.440 4.392 4.276 4.441 0.001 18 0 "[ . 1 . 2]" 1
237 1 16 TYR HA 1 19 PTR H . . 4.600 3.575 3.347 4.123 . 0 0 "[ . 1 . 2]" 1
238 1 16 TYR HA 1 20 CYS H . . 4.670 4.212 3.954 4.504 . 0 0 "[ . 1 . 2]" 1
239 1 16 TYR QB 1 17 GLU H . . 3.790 2.348 1.936 2.829 . 0 0 "[ . 1 . 2]" 1
240 1 16 TYR QD 1 17 GLU H . . 4.500 4.074 3.579 4.474 . 0 0 "[ . 1 . 2]" 1
241 1 16 TYR QD 1 17 GLU HA . . 4.940 4.434 4.114 4.686 . 0 0 "[ . 1 . 2]" 1
242 1 16 TYR QD 1 17 GLU HG2 . . 5.210 4.140 3.241 4.945 . 0 0 "[ . 1 . 2]" 1
243 1 16 TYR QD 1 17 GLU QG . . 4.480 3.723 3.195 4.254 . 0 0 "[ . 1 . 2]" 1
244 1 16 TYR QD 1 17 GLU HG3 . . 5.210 4.597 3.409 5.209 . 0 0 "[ . 1 . 2]" 1
245 1 16 TYR QD 1 82 PHE QB . . 4.400 3.759 3.069 4.403 0.003 8 0 "[ . 1 . 2]" 1
246 1 17 GLU H 1 17 GLU HB2 . . 3.260 2.288 2.117 2.559 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 17 GLU HB3 . . 3.700 3.506 3.422 3.594 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU H 1 17 GLU HG2 . . 3.660 3.096 2.210 3.665 0.005 20 0 "[ . 1 . 2]" 1
249 1 17 GLU H 1 17 GLU QG . . 2.950 2.566 2.177 2.898 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLU H 1 17 GLU HG3 . . 3.660 3.017 2.323 3.658 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLU H 1 18 LEU H . . 3.480 2.740 2.281 3.002 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 1 17 GLU HG2 . . 3.770 2.381 2.054 3.482 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU HA 1 17 GLU QG . . 3.280 2.282 2.024 2.619 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLU HA 1 17 GLU HG3 . . 3.770 3.286 2.351 3.743 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLU HA 1 20 CYS H . . 4.410 3.072 2.905 3.485 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLU HA 1 20 CYS HB2 . . 3.900 2.106 1.998 2.416 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLU HA 1 20 CYS QB . . 3.410 2.092 1.986 2.394 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU HA 1 20 CYS HB3 . . 3.900 3.620 3.370 3.899 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU HA 1 21 GLU H . . 5.020 4.661 4.443 4.896 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU HB2 1 18 LEU H . . 3.520 2.637 2.401 2.876 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU HB3 1 18 LEU H . . 3.850 3.348 2.858 3.754 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU HB3 1 19 PTR H . . 5.500 5.272 4.916 5.503 0.003 1 0 "[ . 1 . 2]" 1
263 1 17 GLU QG 1 18 LEU H . . 4.410 4.228 4.018 4.397 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLU HG2 1 18 LEU H . . 5.010 4.784 4.389 5.008 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLU HG3 1 18 LEU H . . 5.010 4.741 4.398 4.992 . 0 0 "[ . 1 . 2]" 1
266 1 18 LEU H 1 18 LEU QB . . 2.950 2.176 2.045 2.369 . 0 0 "[ . 1 . 2]" 1
267 1 18 LEU H 1 18 LEU MD1 . . 4.530 3.569 1.890 4.240 . 0 0 "[ . 1 . 2]" 1
268 1 18 LEU H 1 18 LEU MD2 . . 4.530 3.973 3.238 4.291 . 0 0 "[ . 1 . 2]" 1
269 1 18 LEU H 1 18 LEU HG . . 4.630 3.994 2.333 4.439 . 0 0 "[ . 1 . 2]" 1
270 1 18 LEU H 1 19 PTR H . . 3.530 2.646 2.500 3.046 . 0 0 "[ . 1 . 2]" 1
271 1 18 LEU HA 1 18 LEU MD1 . . 3.850 3.005 1.971 3.859 0.009 1 0 "[ . 1 . 2]" 1
272 1 18 LEU HA 1 18 LEU QD . . 3.070 2.518 1.906 3.063 . 0 0 "[ . 1 . 2]" 1
273 1 18 LEU HA 1 18 LEU MD2 . . 3.850 3.319 1.931 3.860 0.010 4 0 "[ . 1 . 2]" 1
274 1 18 LEU HA 1 18 LEU HG . . 4.160 2.715 2.310 3.640 . 0 0 "[ . 1 . 2]" 1
275 1 18 LEU HA 1 20 CYS H . . 4.130 4.036 3.793 4.131 0.001 15 0 "[ . 1 . 2]" 1
276 1 18 LEU QB 1 18 LEU MD1 . . 3.270 2.177 1.926 2.579 . 0 0 "[ . 1 . 2]" 1
277 1 18 LEU QB 1 18 LEU QD . . 2.830 1.875 1.752 2.062 . 0 0 "[ . 1 . 2]" 1
278 1 18 LEU QB 1 18 LEU MD2 . . 3.270 2.089 1.930 2.391 . 0 0 "[ . 1 . 2]" 1
279 1 18 LEU QB 1 19 PTR H . . 3.420 2.714 2.222 2.989 . 0 0 "[ . 1 . 2]" 1
280 1 18 LEU QB 1 19 PTR HA . . 4.680 4.182 3.854 4.654 . 0 0 "[ . 1 . 2]" 1
281 1 18 LEU QB 1 20 CYS H . . 4.790 4.542 4.282 4.707 . 0 0 "[ . 1 . 2]" 1
282 1 18 LEU QD 1 19 PTR H . . 4.510 3.677 3.187 4.145 . 0 0 "[ . 1 . 2]" 1
283 1 18 LEU QD 1 19 PTR HB2 . . 5.030 4.633 3.940 5.037 0.007 1 0 "[ . 1 . 2]" 1
284 1 18 LEU MD1 1 19 PTR H . . 5.320 4.503 3.684 5.004 . 0 0 "[ . 1 . 2]" 1
285 1 18 LEU MD2 1 19 PTR H . . 5.320 4.133 3.226 4.773 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU HG 1 19 PTR H . . 5.330 4.669 3.456 5.288 . 0 0 "[ . 1 . 2]" 1
287 1 19 PTR H 1 19 PTR HB2 . . 3.850 2.325 2.219 2.593 . 0 0 "[ . 1 . 2]" 1
288 1 19 PTR H 1 19 PTR HB2 . . 3.320 2.296 2.196 2.540 . 0 0 "[ . 1 . 2]" 1
289 1 19 PTR H 1 19 PTR HB3 . . 3.850 3.574 3.517 3.639 . 0 0 "[ . 1 . 2]" 1
290 1 19 PTR H 1 22 MET ME . . 4.570 4.267 3.996 4.570 0.000 1 0 "[ . 1 . 2]" 1
291 1 19 PTR H 1 22 MET QG . . 4.820 4.492 4.240 4.819 . 0 0 "[ . 1 . 2]" 1
292 1 19 PTR HA 1 21 GLU QB . . 4.670 4.406 4.067 4.670 0.000 18 0 "[ . 1 . 2]" 1
293 1 19 PTR HA 1 22 MET H . . 3.760 3.357 2.983 3.620 . 0 0 "[ . 1 . 2]" 1
294 1 19 PTR HA 1 22 MET HB2 . . 4.880 4.245 3.255 4.879 . 0 0 "[ . 1 . 2]" 1
295 1 19 PTR HA 1 22 MET QB . . 4.280 3.781 3.170 4.279 . 0 0 "[ . 1 . 2]" 1
296 1 19 PTR HA 1 22 MET HB3 . . 4.880 4.515 3.852 4.872 . 0 0 "[ . 1 . 2]" 1
297 1 19 PTR HA 1 22 MET ME . . 3.380 2.447 1.919 3.278 . 0 0 "[ . 1 . 2]" 1
298 1 19 PTR HA 1 22 MET QG . . 3.730 2.083 1.878 2.394 . 0 0 "[ . 1 . 2]" 1
299 1 19 PTR HB2 1 20 CYS H . . 4.010 3.135 2.958 3.219 . 0 0 "[ . 1 . 2]" 1
300 1 19 PTR HB2 1 25 THR H . . 4.870 4.434 4.242 4.611 . 0 0 "[ . 1 . 2]" 1
301 1 19 PTR HB2 1 25 THR HA . . 3.660 3.255 2.696 3.652 . 0 0 "[ . 1 . 2]" 1
302 1 19 PTR HB2 1 20 CYS H . . 4.770 3.277 3.085 3.393 . 0 0 "[ . 1 . 2]" 1
303 1 19 PTR HB2 1 25 THR HA . . 4.520 3.992 3.402 4.468 . 0 0 "[ . 1 . 2]" 1
304 1 19 PTR HB3 1 20 CYS H . . 4.770 4.000 3.800 4.294 . 0 0 "[ . 1 . 2]" 1
305 1 19 PTR HB3 1 25 THR HA . . 4.520 3.462 2.828 4.094 . 0 0 "[ . 1 . 2]" 1
306 1 20 CYS H 1 20 CYS HB2 . . 3.470 2.156 2.046 2.189 . 0 0 "[ . 1 . 2]" 1
307 1 20 CYS H 1 20 CYS HB3 . . 3.470 3.432 3.178 3.470 . 5 0 "[ . 1 . 2]" 1
308 1 20 CYS H 1 21 GLU H . . 3.510 2.542 2.261 2.797 . 0 0 "[ . 1 . 2]" 1
309 1 20 CYS H 1 21 GLU HA . . 5.380 5.056 4.806 5.264 . 0 0 "[ . 1 . 2]" 1
310 1 20 CYS H 1 21 GLU QB . . 4.720 4.470 4.195 4.660 . 0 0 "[ . 1 . 2]" 1
311 1 20 CYS H 1 22 MET H . . 4.780 4.092 3.838 4.748 . 0 0 "[ . 1 . 2]" 1
312 1 20 CYS HA 1 23 GLY H . . 4.410 3.030 2.777 3.413 . 0 0 "[ . 1 . 2]" 1
313 1 20 CYS HA 1 24 SER H . . 4.370 3.766 3.157 4.174 . 0 0 "[ . 1 . 2]" 1
314 1 20 CYS QB 1 21 GLU H . . 3.380 2.960 2.536 3.128 . 0 0 "[ . 1 . 2]" 1
315 1 20 CYS QB 1 21 GLU HA . . 4.290 3.901 3.662 3.980 . 0 0 "[ . 1 . 2]" 1
316 1 20 CYS QB 1 23 GLY H . . 5.170 4.582 4.297 4.812 . 0 0 "[ . 1 . 2]" 1
317 1 20 CYS HB2 1 21 GLU H . . 3.880 3.175 2.728 3.319 . 0 0 "[ . 1 . 2]" 1
318 1 20 CYS HB2 1 21 GLU HA . . 5.110 4.776 4.650 5.119 0.009 19 0 "[ . 1 . 2]" 1
319 1 20 CYS HB3 1 21 GLU H . . 3.880 3.592 2.723 3.826 . 0 0 "[ . 1 . 2]" 1
320 1 20 CYS HB3 1 21 GLU HA . . 5.110 4.147 3.758 4.254 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLU H 1 21 GLU QB . . 2.980 2.297 2.010 2.538 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU H 1 21 GLU HG2 . . 4.090 3.154 1.955 4.063 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU H 1 21 GLU QG . . 3.560 2.516 1.944 3.475 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLU H 1 21 GLU HG3 . . 4.090 2.996 2.213 3.995 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLU H 1 22 MET H . . 3.510 2.656 2.445 3.218 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU HA 1 21 GLU HG2 . . 3.940 2.546 2.003 3.532 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU HA 1 21 GLU HG3 . . 3.940 3.231 2.226 3.811 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLU HA 1 22 MET H . . 3.630 3.461 3.329 3.645 0.015 7 0 "[ . 1 . 2]" 1
329 1 21 GLU HA 1 23 GLY H . . 4.550 4.249 3.834 4.550 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU QB 1 22 MET H . . 3.450 3.053 2.161 3.438 . 0 0 "[ . 1 . 2]" 1
331 1 22 MET H 1 22 MET HB2 . . 3.860 3.246 2.625 3.668 . 0 0 "[ . 1 . 2]" 1
332 1 22 MET H 1 22 MET QB . . 3.370 2.772 2.369 3.116 . 0 0 "[ . 1 . 2]" 1
333 1 22 MET H 1 22 MET HB3 . . 3.860 3.284 2.407 3.713 . 0 0 "[ . 1 . 2]" 1
334 1 22 MET H 1 22 MET ME . . 4.150 3.688 2.887 4.028 . 0 0 "[ . 1 . 2]" 1
335 1 22 MET H 1 22 MET QG . . 3.510 2.037 1.899 2.451 . 0 0 "[ . 1 . 2]" 1
336 1 22 MET H 1 23 GLY H . . 3.510 2.162 1.898 2.786 . 0 0 "[ . 1 . 2]" 1
337 1 22 MET H 1 24 SER H . . 4.700 3.775 3.444 4.633 . 0 0 "[ . 1 . 2]" 1
338 1 22 MET HA 1 22 MET QG . . 3.520 3.178 2.483 3.463 . 0 0 "[ . 1 . 2]" 1
339 1 22 MET QB 1 23 GLY H . . 4.040 3.407 2.737 4.022 . 0 0 "[ . 1 . 2]" 1
340 1 22 MET QB 1 24 SER H . . 4.300 3.585 2.288 4.295 . 0 0 "[ . 1 . 2]" 1
341 1 22 MET HB2 1 23 GLY H . . 4.730 3.637 2.788 4.372 . 0 0 "[ . 1 . 2]" 1
342 1 22 MET HB3 1 23 GLY H . . 4.730 4.285 3.984 4.698 . 0 0 "[ . 1 . 2]" 1
343 1 22 MET QG 1 24 SER H . . 4.450 3.127 1.897 4.452 0.002 1 0 "[ . 1 . 2]" 1
344 1 23 GLY H 1 24 SER H . . 3.540 2.558 2.058 3.236 . 0 0 "[ . 1 . 2]" 1
345 1 24 SER H 1 24 SER HB2 . . 3.870 3.002 2.522 3.856 . 0 0 "[ . 1 . 2]" 1
346 1 24 SER H 1 24 SER HB3 . . 3.870 3.422 2.679 3.874 0.004 10 0 "[ . 1 . 2]" 1
347 1 24 SER H 1 25 THR H . . 5.500 4.402 4.354 4.492 . 0 0 "[ . 1 . 2]" 1
348 1 24 SER QB 1 25 THR H . . 3.480 2.365 1.938 3.058 . 0 0 "[ . 1 . 2]" 1
349 1 24 SER HB2 1 25 THR H . . 4.010 3.239 1.963 3.843 . 0 0 "[ . 1 . 2]" 1
350 1 24 SER HB3 1 25 THR H . . 4.010 2.706 1.950 3.887 . 0 0 "[ . 1 . 2]" 1
351 1 25 THR H 1 25 THR MG . . 3.850 3.139 2.154 3.856 0.006 19 0 "[ . 1 . 2]" 1
352 1 25 THR H 1 26 PHE H . . 4.880 4.465 4.375 4.578 . 0 0 "[ . 1 . 2]" 1
353 1 25 THR H 1 28 LEU HB2 . . 4.470 3.624 2.568 4.452 . 0 0 "[ . 1 . 2]" 1
354 1 25 THR H 1 28 LEU QD . . 4.880 2.848 1.979 4.268 . 0 0 "[ . 1 . 2]" 1
355 1 25 THR H 1 30 LYS QE . . 4.470 3.255 2.520 4.039 . 0 0 "[ . 1 . 2]" 1
356 1 25 THR HA 1 25 THR MG . . 3.230 2.357 2.187 2.627 . 0 0 "[ . 1 . 2]" 1
357 1 25 THR HB 1 26 PHE H . . 4.030 3.116 2.320 3.514 . 0 0 "[ . 1 . 2]" 1
358 1 25 THR HB 1 27 GLN H . . 4.120 3.965 3.780 4.124 0.004 18 0 "[ . 1 . 2]" 1
359 1 25 THR HB 1 27 GLN HE21 . . 4.630 2.317 1.949 3.070 . 0 0 "[ . 1 . 2]" 1
360 1 25 THR HB 1 28 LEU H . . 4.450 3.037 2.291 4.106 . 0 0 "[ . 1 . 2]" 1
361 1 25 THR MG 1 26 PHE H . . 4.290 3.204 1.929 4.063 . 0 0 "[ . 1 . 2]" 1
362 1 25 THR MG 1 27 GLN H . . 5.300 4.494 3.215 5.238 . 0 0 "[ . 1 . 2]" 1
363 1 25 THR MG 1 27 GLN HE21 . . 4.240 2.962 1.754 3.676 . 0 0 "[ . 1 . 2]" 1
364 1 25 THR MG 1 27 GLN HE22 . . 4.010 3.061 1.895 3.903 . 0 0 "[ . 1 . 2]" 1
365 1 26 PHE H 1 26 PHE HB2 . . 3.730 2.446 1.974 2.735 . 0 0 "[ . 1 . 2]" 1
366 1 26 PHE H 1 26 PHE QB . . 3.260 2.075 1.936 2.117 . 0 0 "[ . 1 . 2]" 1
367 1 26 PHE H 1 26 PHE HB3 . . 3.730 2.285 2.094 2.806 . 0 0 "[ . 1 . 2]" 1
368 1 26 PHE H 1 26 PHE QD . . 5.320 4.040 3.758 4.092 . 0 0 "[ . 1 . 2]" 1
369 1 26 PHE H 1 27 GLN H . . 4.040 2.888 2.563 3.102 . 0 0 "[ . 1 . 2]" 1
370 1 26 PHE H 1 28 LEU H . . 5.310 3.750 3.476 3.896 . 0 0 "[ . 1 . 2]" 1
371 1 26 PHE HA 1 26 PHE QD . . 4.160 2.668 2.265 3.223 . 0 0 "[ . 1 . 2]" 1
372 1 26 PHE HA 1 27 GLN HE21 . . 4.490 4.073 3.837 4.492 0.002 19 0 "[ . 1 . 2]" 1
373 1 26 PHE HA 1 79 VAL MG1 . . 5.500 5.100 4.265 5.497 . 0 0 "[ . 1 . 2]" 1
374 1 26 PHE QB 1 27 GLN H . . 3.280 2.003 1.930 2.172 . 0 0 "[ . 1 . 2]" 1
375 1 26 PHE HB2 1 27 GLN H . . 3.830 3.549 3.188 3.682 . 0 0 "[ . 1 . 2]" 1
376 1 26 PHE HB3 1 27 GLN H . . 3.830 2.014 1.946 2.187 . 0 0 "[ . 1 . 2]" 1
377 1 26 PHE QD 1 27 GLN H . . 4.600 2.697 2.186 3.555 . 0 0 "[ . 1 . 2]" 1
378 1 26 PHE QD 1 27 GLN HA . . 3.980 3.255 2.355 3.824 . 0 0 "[ . 1 . 2]" 1
379 1 26 PHE QD 1 79 VAL MG1 . . 3.270 1.955 1.783 2.189 . 0 0 "[ . 1 . 2]" 1
380 1 26 PHE QD 1 80 ASP H . . 5.450 4.592 4.189 5.273 . 0 0 "[ . 1 . 2]" 1
381 1 26 PHE QE 1 79 VAL MG1 . . 3.750 2.061 1.791 3.017 . 0 0 "[ . 1 . 2]" 1
382 1 26 PHE QE 1 79 VAL MG2 . . 3.960 3.234 2.855 3.913 . 0 0 "[ . 1 . 2]" 1
383 1 26 PHE HZ 1 79 VAL MG1 . . 5.500 3.956 3.623 4.925 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLN H 1 27 GLN QB . . 3.460 2.495 2.435 2.597 . 0 0 "[ . 1 . 2]" 1
385 1 27 GLN H 1 27 GLN HE21 . . 4.860 1.907 1.897 1.923 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLN H 1 27 GLN HG2 . . 4.060 2.729 2.367 2.959 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLN H 1 27 GLN QG . . 3.440 2.659 2.335 2.860 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLN H 1 27 GLN HG3 . . 4.060 3.707 3.569 3.794 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLN H 1 28 LEU H . . 3.830 2.868 2.658 2.942 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLN H 1 79 VAL MG1 . . 4.670 2.942 2.539 3.223 . 0 0 "[ . 1 . 2]" 1
391 1 27 GLN HA 1 27 GLN HE21 . . 4.870 4.191 4.014 4.444 . 0 0 "[ . 1 . 2]" 1
392 1 27 GLN HA 1 37 LYS HB2 . . 4.640 3.817 3.511 4.051 . 0 0 "[ . 1 . 2]" 1
393 1 27 GLN HA 1 37 LYS HB3 . . 5.500 5.369 5.015 5.499 . 0 0 "[ . 1 . 2]" 1
394 1 27 GLN HA 1 37 LYS HD2 . . 3.670 2.469 2.017 3.198 . 0 0 "[ . 1 . 2]" 1
395 1 27 GLN HA 1 37 LYS HD3 . . 3.670 3.367 2.818 3.674 0.004 20 0 "[ . 1 . 2]" 1
396 1 27 GLN HA 1 79 VAL MG1 . . 3.460 2.212 1.956 2.530 . 0 0 "[ . 1 . 2]" 1
397 1 27 GLN HA 1 79 VAL MG2 . . 4.120 2.816 2.492 3.050 . 0 0 "[ . 1 . 2]" 1
398 1 27 GLN QB 1 27 GLN HE22 . . 4.450 3.958 3.914 4.005 . 0 0 "[ . 1 . 2]" 1
399 1 27 GLN QB 1 28 LEU H . . 4.380 3.616 3.473 3.759 . 0 0 "[ . 1 . 2]" 1
400 1 27 GLN QB 1 36 ASP HB2 . . 4.910 3.508 2.402 4.672 . 0 0 "[ . 1 . 2]" 1
401 1 27 GLN QB 1 36 ASP QB . . 4.180 2.978 2.245 3.530 . 0 0 "[ . 1 . 2]" 1
402 1 27 GLN QB 1 36 ASP HB3 . . 4.910 3.517 2.500 4.156 . 0 0 "[ . 1 . 2]" 1
403 1 27 GLN QB 1 81 PRO HD3 . . 4.390 4.154 3.857 4.385 . 0 0 "[ . 1 . 2]" 1
404 1 27 GLN HE21 1 28 LEU H . . 5.140 2.478 2.093 3.060 . 0 0 "[ . 1 . 2]" 1
405 1 27 GLN HE21 1 28 LEU QD . . 5.440 5.037 4.706 5.443 0.003 8 0 "[ . 1 . 2]" 1
406 1 27 GLN HE21 1 81 PRO HA . . 5.440 4.841 3.840 5.412 . 0 0 "[ . 1 . 2]" 1
407 1 27 GLN HE21 1 81 PRO HB3 . . 4.770 4.158 3.274 4.746 . 0 0 "[ . 1 . 2]" 1
408 1 27 GLN HE22 1 27 GLN HG2 . . 4.130 3.476 3.455 3.494 . 0 0 "[ . 1 . 2]" 1
409 1 27 GLN HE22 1 27 GLN QG . . 3.460 3.293 3.269 3.311 . 0 0 "[ . 1 . 2]" 1
410 1 27 GLN HE22 1 27 GLN HG3 . . 4.130 4.077 4.038 4.103 . 0 0 "[ . 1 . 2]" 1
411 1 27 GLN HE22 1 28 LEU H . . 5.000 4.196 3.820 4.744 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLN HE22 1 81 PRO HB3 . . 3.980 2.701 1.957 3.285 . 0 0 "[ . 1 . 2]" 1
413 1 27 GLN HE22 1 81 PRO HD3 . . 5.500 4.924 4.071 5.487 . 0 0 "[ . 1 . 2]" 1
414 1 27 GLN HE22 1 81 PRO QG . . 4.850 4.203 3.508 4.739 . 0 0 "[ . 1 . 2]" 1
415 1 27 GLN QG 1 28 LEU H . . 3.760 2.112 1.945 2.380 . 0 0 "[ . 1 . 2]" 1
416 1 27 GLN QG 1 79 VAL MG1 . . 4.500 3.902 3.726 4.179 . 0 0 "[ . 1 . 2]" 1
417 1 27 GLN QG 1 79 VAL MG2 . . 5.340 4.937 4.713 5.144 . 0 0 "[ . 1 . 2]" 1
418 1 27 GLN HG2 1 28 LEU H . . 4.380 2.123 1.953 2.395 . 0 0 "[ . 1 . 2]" 1
419 1 27 GLN HG3 1 28 LEU H . . 4.380 3.821 3.522 4.114 . 0 0 "[ . 1 . 2]" 1
420 1 28 LEU H 1 28 LEU HB2 . . 3.050 2.497 2.084 2.798 . 0 0 "[ . 1 . 2]" 1
421 1 28 LEU H 1 28 LEU HB3 . . 3.090 2.441 2.186 2.878 . 0 0 "[ . 1 . 2]" 1
422 1 28 LEU H 1 28 LEU MD1 . . 4.250 3.988 3.658 4.250 0.000 13 0 "[ . 1 . 2]" 1
423 1 28 LEU H 1 28 LEU MD2 . . 4.250 4.025 3.653 4.107 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU H 1 28 LEU HG . . 4.640 4.465 4.039 4.576 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU H 1 29 CYS H . . 4.990 4.514 4.398 4.567 . 0 0 "[ . 1 . 2]" 1
426 1 28 LEU HA 1 28 LEU MD1 . . 4.070 3.504 2.957 3.847 . 0 0 "[ . 1 . 2]" 1
427 1 28 LEU HA 1 28 LEU QD . . 2.980 1.960 1.896 2.059 . 0 0 "[ . 1 . 2]" 1
428 1 28 LEU HA 1 28 LEU MD2 . . 4.070 1.971 1.914 2.067 . 0 0 "[ . 1 . 2]" 1
429 1 28 LEU HA 1 28 LEU HG . . 3.810 3.459 2.696 3.762 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU HA 1 29 CYS H . . 3.270 2.146 2.100 2.189 . 0 0 "[ . 1 . 2]" 1
431 1 28 LEU HA 1 29 CYS QB . . 4.760 4.174 3.998 4.336 . 0 0 "[ . 1 . 2]" 1
432 1 28 LEU HA 1 36 ASP HA . . 3.480 2.282 2.000 2.693 . 0 0 "[ . 1 . 2]" 1
433 1 28 LEU HA 1 37 LYS H . . 4.510 3.676 3.185 4.131 . 0 0 "[ . 1 . 2]" 1
434 1 28 LEU HB2 1 28 LEU MD1 . . 3.330 3.021 2.519 3.195 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU HB2 1 28 LEU MD2 . . 3.330 2.696 2.376 3.193 . 0 0 "[ . 1 . 2]" 1
436 1 28 LEU HB2 1 29 CYS H . . 4.780 4.150 3.947 4.453 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU HB2 1 30 LYS QE . . 5.330 4.562 3.723 5.254 . 0 0 "[ . 1 . 2]" 1
438 1 28 LEU HB3 1 28 LEU MD1 . . 3.240 2.146 1.984 2.264 . 0 0 "[ . 1 . 2]" 1
439 1 28 LEU HB3 1 28 LEU MD2 . . 3.240 3.052 2.574 3.210 . 0 0 "[ . 1 . 2]" 1
440 1 28 LEU HB3 1 29 CYS H . . 4.710 4.121 3.819 4.249 . 0 0 "[ . 1 . 2]" 1
441 1 28 LEU HB3 1 30 LYS HE2 . . 4.590 3.658 2.892 4.463 . 0 0 "[ . 1 . 2]" 1
442 1 28 LEU HB3 1 30 LYS QE . . 3.780 3.037 2.044 3.778 . 0 0 "[ . 1 . 2]" 1
443 1 28 LEU HB3 1 30 LYS HE3 . . 4.590 3.610 2.054 4.407 . 0 0 "[ . 1 . 2]" 1
444 1 28 LEU QD 1 29 CYS H . . 3.530 1.873 1.781 2.041 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU QD 1 29 CYS QB . . 4.630 3.147 2.713 3.519 . 0 0 "[ . 1 . 2]" 1
446 1 28 LEU QD 1 30 LYS QE . . 4.260 2.615 1.937 3.442 . 0 0 "[ . 1 . 2]" 1
447 1 28 LEU QD 1 33 ALA H . . 4.030 3.078 2.712 3.385 . 0 0 "[ . 1 . 2]" 1
448 1 28 LEU QD 1 33 ALA MB . . 3.390 2.476 2.044 2.727 . 0 0 "[ . 1 . 2]" 1
449 1 28 LEU QD 1 34 GLU H . . 4.140 2.793 2.407 2.970 . 0 0 "[ . 1 . 2]" 1
450 1 28 LEU QD 1 34 GLU HA . . 3.720 3.427 3.009 3.696 . 0 0 "[ . 1 . 2]" 1
451 1 28 LEU QD 1 35 ASN H . . 4.050 3.329 3.160 3.719 . 0 0 "[ . 1 . 2]" 1
452 1 28 LEU QD 1 36 ASP HA . . 3.950 2.880 2.384 3.196 . 0 0 "[ . 1 . 2]" 1
453 1 28 LEU MD1 1 29 CYS H . . 4.710 3.357 2.117 4.605 . 0 0 "[ . 1 . 2]" 1
454 1 28 LEU MD1 1 33 ALA H . . 4.910 3.907 3.150 4.911 0.001 10 0 "[ . 1 . 2]" 1
455 1 28 LEU MD1 1 33 ALA HA . . 3.510 2.271 1.788 2.954 . 0 0 "[ . 1 . 2]" 1
456 1 28 LEU MD1 1 35 ASN H . . 5.460 5.254 3.952 5.467 0.007 15 0 "[ . 1 . 2]" 1
457 1 28 LEU MD2 1 29 CYS H . . 4.710 1.932 1.791 2.469 . 0 0 "[ . 1 . 2]" 1
458 1 28 LEU MD2 1 33 ALA H . . 4.910 3.445 2.820 4.678 . 0 0 "[ . 1 . 2]" 1
459 1 28 LEU MD2 1 33 ALA HA . . 3.510 2.220 1.802 3.492 . 0 0 "[ . 1 . 2]" 1
460 1 28 LEU MD2 1 35 ASN H . . 5.460 3.384 3.180 3.878 . 0 0 "[ . 1 . 2]" 1
461 1 28 LEU HG 1 29 CYS H . . 4.270 4.241 3.973 4.289 0.019 15 0 "[ . 1 . 2]" 1
462 1 28 LEU HG 1 33 ALA HA . . 4.460 3.909 3.264 4.461 0.001 1 0 "[ . 1 . 2]" 1
463 1 28 LEU HG 1 34 GLU H . . 5.500 5.305 4.720 5.502 0.002 10 0 "[ . 1 . 2]" 1
464 1 29 CYS H 1 29 CYS HB2 . . 3.720 3.120 2.302 3.636 . 0 0 "[ . 1 . 2]" 1
465 1 29 CYS H 1 29 CYS HB3 . . 3.720 2.572 2.364 2.841 . 0 0 "[ . 1 . 2]" 1
466 1 29 CYS H 1 36 ASP HA . . 3.810 2.693 2.389 3.179 . 0 0 "[ . 1 . 2]" 1
467 1 29 CYS H 1 37 LYS H . . 4.790 3.760 3.304 4.274 . 0 0 "[ . 1 . 2]" 1
468 1 29 CYS HA 1 30 LYS H . . 3.400 2.276 2.223 2.443 . 0 0 "[ . 1 . 2]" 1
469 1 29 CYS HA 1 30 LYS QD . . 4.640 3.737 2.697 4.411 . 0 0 "[ . 1 . 2]" 1
470 1 29 CYS HA 1 30 LYS QG . . 4.730 3.763 3.252 4.839 0.109 20 0 "[ . 1 . 2]" 1
471 1 29 CYS HA 1 31 ILE H . . 4.750 3.735 3.488 4.066 . 0 0 "[ . 1 . 2]" 1
472 1 29 CYS HA 1 37 LYS H . . 4.670 4.452 4.241 4.677 0.007 15 0 "[ . 1 . 2]" 1
473 1 29 CYS HA 1 37 LYS HE2 . . 4.670 3.279 2.922 3.807 . 0 0 "[ . 1 . 2]" 1
474 1 29 CYS HA 1 37 LYS QE . . 4.070 2.410 1.970 3.112 . 0 0 "[ . 1 . 2]" 1
475 1 29 CYS HA 1 37 LYS HE3 . . 4.670 2.493 2.003 3.301 . 0 0 "[ . 1 . 2]" 1
476 1 29 CYS HA 1 37 LYS HG2 . . 4.280 2.725 2.451 2.962 . 0 0 "[ . 1 . 2]" 1
477 1 29 CYS HA 1 37 LYS QG . . 3.720 2.280 1.986 2.607 . 0 0 "[ . 1 . 2]" 1
478 1 29 CYS HA 1 37 LYS HG3 . . 4.280 2.472 2.062 2.894 . 0 0 "[ . 1 . 2]" 1
479 1 29 CYS HA 1 48 MET HA . . 4.050 3.513 3.193 3.884 . 0 0 "[ . 1 . 2]" 1
480 1 29 CYS HA 1 48 MET QB . . 5.340 5.025 4.691 5.313 . 0 0 "[ . 1 . 2]" 1
481 1 29 CYS HA 1 49 CYS H . . 4.800 4.537 4.102 4.804 0.004 8 0 "[ . 1 . 2]" 1
482 1 29 CYS QB 1 32 CYS H . . 4.240 3.151 2.487 3.680 . 0 0 "[ . 1 . 2]" 1
483 1 29 CYS QB 1 33 ALA H . . 4.590 3.294 2.192 4.015 . 0 0 "[ . 1 . 2]" 1
484 1 29 CYS QB 1 34 GLU H . . 5.040 4.126 3.276 4.650 . 0 0 "[ . 1 . 2]" 1
485 1 29 CYS QB 1 35 ASN H . . 4.450 4.101 3.462 4.451 0.001 20 0 "[ . 1 . 2]" 1
486 1 29 CYS QB 1 37 LYS HA . . 4.850 3.037 2.825 3.376 . 0 0 "[ . 1 . 2]" 1
487 1 29 CYS QB 1 37 LYS QG . . 4.670 2.598 2.114 2.839 . 0 0 "[ . 1 . 2]" 1
488 1 29 CYS QB 1 48 MET HA . . 4.900 3.396 2.786 4.036 . 0 0 "[ . 1 . 2]" 1
489 1 29 CYS QB 1 49 CYS H . . 3.920 2.923 2.484 3.635 . 0 0 "[ . 1 . 2]" 1
490 1 29 CYS QB 1 49 CYS QB . . 3.610 2.206 1.964 2.725 . 0 0 "[ . 1 . 2]" 1
491 1 29 CYS HB2 1 32 CYS H . . 4.840 3.865 3.375 4.505 . 0 0 "[ . 1 . 2]" 1
492 1 29 CYS HB2 1 37 LYS H . . 5.500 4.821 3.762 5.503 0.003 17 0 "[ . 1 . 2]" 1
493 1 29 CYS HB2 1 49 CYS H . . 4.770 3.079 2.569 3.830 . 0 0 "[ . 1 . 2]" 1
494 1 29 CYS HB3 1 32 CYS H . . 4.840 3.898 2.509 4.776 . 0 0 "[ . 1 . 2]" 1
495 1 29 CYS HB3 1 37 LYS H . . 5.500 4.526 3.661 5.505 0.005 8 0 "[ . 1 . 2]" 1
496 1 29 CYS HB3 1 49 CYS H . . 4.770 3.677 3.043 4.521 . 0 0 "[ . 1 . 2]" 1
497 1 30 LYS H 1 30 LYS QD . . 4.060 3.031 1.953 3.559 . 0 0 "[ . 1 . 2]" 1
498 1 30 LYS H 1 30 LYS HE2 . . 5.500 5.290 4.386 5.502 0.002 9 0 "[ . 1 . 2]" 1
499 1 30 LYS H 1 30 LYS HE3 . . 5.500 4.742 4.275 5.249 . 0 0 "[ . 1 . 2]" 1
500 1 30 LYS H 1 30 LYS HG2 . . 4.250 2.685 1.949 4.119 . 0 0 "[ . 1 . 2]" 1
501 1 30 LYS H 1 30 LYS QG . . 3.680 2.590 1.940 3.619 . 0 0 "[ . 1 . 2]" 1
502 1 30 LYS H 1 30 LYS HG3 . . 4.250 3.878 3.512 4.260 0.010 20 0 "[ . 1 . 2]" 1
503 1 30 LYS H 1 31 ILE H . . 4.030 2.739 2.523 2.993 . 0 0 "[ . 1 . 2]" 1
504 1 30 LYS H 1 31 ILE MD . . 5.110 4.627 4.258 5.061 . 0 0 "[ . 1 . 2]" 1
505 1 30 LYS H 1 32 CYS H . . 5.370 4.842 4.365 5.159 . 0 0 "[ . 1 . 2]" 1
506 1 30 LYS H 1 33 ALA H . . 4.990 4.858 4.575 5.001 0.011 18 0 "[ . 1 . 2]" 1
507 1 30 LYS H 1 33 ALA MB . . 5.500 5.466 5.307 5.505 0.005 17 0 "[ . 1 . 2]" 1
508 1 30 LYS HA 1 30 LYS HD2 . . 3.910 2.546 2.060 3.012 . 0 0 "[ . 1 . 2]" 1
509 1 30 LYS HA 1 30 LYS QD . . 3.420 2.066 1.881 2.919 . 0 0 "[ . 1 . 2]" 1
510 1 30 LYS HA 1 30 LYS HD3 . . 3.910 2.356 2.001 3.917 0.007 8 0 "[ . 1 . 2]" 1
511 1 30 LYS HA 1 30 LYS QE . . 4.570 3.877 2.270 4.356 . 0 0 "[ . 1 . 2]" 1
512 1 30 LYS HA 1 33 ALA H . . 4.770 3.910 3.757 4.253 . 0 0 "[ . 1 . 2]" 1
513 1 30 LYS QB 1 30 LYS QE . . 4.380 3.818 2.485 3.992 . 0 0 "[ . 1 . 2]" 1
514 1 30 LYS QB 1 31 ILE H . . 5.070 3.857 3.735 3.938 . 0 0 "[ . 1 . 2]" 1
515 1 30 LYS QG 1 37 LYS QE . . 3.940 3.149 2.640 3.944 0.004 8 0 "[ . 1 . 2]" 1
516 1 31 ILE H 1 31 ILE HB . . 3.560 2.424 2.209 2.569 . 0 0 "[ . 1 . 2]" 1
517 1 31 ILE H 1 31 ILE MD . . 4.390 4.063 3.726 4.358 . 0 0 "[ . 1 . 2]" 1
518 1 31 ILE H 1 31 ILE HG12 . . 4.260 3.813 3.312 4.185 . 0 0 "[ . 1 . 2]" 1
519 1 31 ILE H 1 31 ILE QG . . 3.460 2.788 2.469 3.195 . 0 0 "[ . 1 . 2]" 1
520 1 31 ILE H 1 31 ILE HG13 . . 4.260 2.870 2.548 3.348 . 0 0 "[ . 1 . 2]" 1
521 1 31 ILE H 1 31 ILE MG . . 4.160 3.715 3.575 3.818 . 0 0 "[ . 1 . 2]" 1
522 1 31 ILE H 1 32 CYS H . . 3.350 2.228 1.906 2.460 . 0 0 "[ . 1 . 2]" 1
523 1 31 ILE H 1 33 ALA H . . 4.580 2.789 2.482 3.277 . 0 0 "[ . 1 . 2]" 1
524 1 31 ILE HA 1 31 ILE MD . . 4.070 3.718 3.601 3.855 . 0 0 "[ . 1 . 2]" 1
525 1 31 ILE HA 1 31 ILE HG12 . . 4.180 2.389 2.175 2.594 . 0 0 "[ . 1 . 2]" 1
526 1 31 ILE HA 1 31 ILE QG . . 3.600 2.301 2.127 2.458 . 0 0 "[ . 1 . 2]" 1
527 1 31 ILE HA 1 31 ILE HG13 . . 4.180 3.048 2.772 3.361 . 0 0 "[ . 1 . 2]" 1
528 1 31 ILE HA 1 31 ILE MG . . 3.160 2.482 2.278 2.655 . 0 0 "[ . 1 . 2]" 1
529 1 31 ILE HB 1 31 ILE MD . . 3.510 2.415 2.228 2.523 . 0 0 "[ . 1 . 2]" 1
530 1 31 ILE HB 1 32 CYS H . . 3.250 2.524 2.301 3.110 . 0 0 "[ . 1 . 2]" 1
531 1 31 ILE MD 1 31 ILE MG . . 3.170 1.896 1.830 2.032 . 0 0 "[ . 1 . 2]" 1
532 1 31 ILE MD 1 32 CYS H . . 5.200 4.538 4.191 4.927 . 0 0 "[ . 1 . 2]" 1
533 1 31 ILE MD 1 48 MET QB . . 3.210 2.249 1.892 2.725 . 0 0 "[ . 1 . 2]" 1
534 1 31 ILE MD 1 48 MET ME . . 3.580 3.252 2.927 3.576 . 0 0 "[ . 1 . 2]" 1
535 1 31 ILE MD 1 48 MET HG2 . . 5.230 4.786 4.288 5.096 . 0 0 "[ . 1 . 2]" 1
536 1 31 ILE MD 1 48 MET HG3 . . 4.830 4.253 3.396 4.753 . 0 0 "[ . 1 . 2]" 1
537 1 31 ILE MD 1 52 CYS HB2 . . 4.430 2.916 2.060 4.433 0.003 15 0 "[ . 1 . 2]" 1
538 1 31 ILE MD 1 52 CYS QB . . 3.730 2.703 1.870 3.730 . 0 0 "[ . 1 . 2]" 1
539 1 31 ILE MD 1 52 CYS HB3 . . 4.430 3.322 2.059 4.433 0.003 18 0 "[ . 1 . 2]" 1
540 1 31 ILE MD 1 65 PRO HB2 . . 4.020 3.977 3.853 4.022 0.002 17 0 "[ . 1 . 2]" 1
541 1 31 ILE MD 1 65 PRO HB3 . . 5.240 5.084 4.849 5.242 0.002 15 0 "[ . 1 . 2]" 1
542 1 31 ILE MD 1 65 PRO HG2 . . 4.250 3.297 2.957 3.648 . 0 0 "[ . 1 . 2]" 1
543 1 31 ILE MD 1 65 PRO HG3 . . 4.860 4.336 3.877 4.679 . 0 0 "[ . 1 . 2]" 1
544 1 31 ILE MD 1 66 PHE QE . . 4.320 2.106 1.841 2.848 . 0 0 "[ . 1 . 2]" 1
545 1 31 ILE QG 1 32 CYS H . . 4.400 4.076 3.890 4.235 . 0 0 "[ . 1 . 2]" 1
546 1 31 ILE QG 1 66 PHE QE . . 4.310 2.964 2.151 3.417 . 0 0 "[ . 1 . 2]" 1
547 1 31 ILE QG 1 66 PHE HZ . . 4.190 2.718 2.089 3.288 . 0 0 "[ . 1 . 2]" 1
548 1 31 ILE HG12 1 32 CYS H . . 5.230 4.925 4.777 5.135 . 0 0 "[ . 1 . 2]" 1
549 1 31 ILE HG13 1 32 CYS H . . 5.230 4.353 4.085 4.614 . 0 0 "[ . 1 . 2]" 1
550 1 31 ILE MG 1 32 CYS H . . 3.940 3.146 2.573 3.865 . 0 0 "[ . 1 . 2]" 1
551 1 31 ILE MG 1 32 CYS HA . . 4.490 3.616 3.280 4.050 . 0 0 "[ . 1 . 2]" 1
552 1 31 ILE MG 1 52 CYS QB . . 3.560 2.302 1.843 3.563 0.003 15 0 "[ . 1 . 2]" 1
553 1 32 CYS H 1 32 CYS QB . . 3.600 2.790 2.502 3.157 . 0 0 "[ . 1 . 2]" 1
554 1 32 CYS H 1 33 ALA H . . 3.260 1.925 1.896 2.007 . 0 0 "[ . 1 . 2]" 1
555 1 32 CYS H 1 33 ALA HA . . 4.510 4.098 3.902 4.176 . 0 0 "[ . 1 . 2]" 1
556 1 32 CYS H 1 34 GLU H . . 4.720 3.896 3.741 4.235 . 0 0 "[ . 1 . 2]" 1
557 1 32 CYS QB 1 33 ALA H . . 4.680 3.242 2.698 3.821 . 0 0 "[ . 1 . 2]" 1
558 1 32 CYS QB 1 34 GLU H . . 4.040 3.050 2.340 4.034 . 0 0 "[ . 1 . 2]" 1
559 1 32 CYS QB 1 34 GLU QB . . 3.490 2.751 2.416 3.169 . 0 0 "[ . 1 . 2]" 1
560 1 32 CYS HB2 1 34 GLU H . . 4.750 3.142 2.371 4.364 . 0 0 "[ . 1 . 2]" 1
561 1 32 CYS HB2 1 34 GLU HB2 . . 5.050 3.320 2.497 4.204 . 0 0 "[ . 1 . 2]" 1
562 1 32 CYS HB2 1 34 GLU HB3 . . 5.050 3.419 2.839 4.330 . 0 0 "[ . 1 . 2]" 1
563 1 32 CYS HB3 1 34 GLU H . . 4.750 4.321 3.304 4.751 0.001 13 0 "[ . 1 . 2]" 1
564 1 32 CYS HB3 1 34 GLU HB2 . . 5.050 4.037 3.172 4.954 . 0 0 "[ . 1 . 2]" 1
565 1 32 CYS HB3 1 34 GLU HB3 . . 5.050 4.232 3.144 5.040 . 0 0 "[ . 1 . 2]" 1
566 1 33 ALA H 1 34 GLU H . . 3.740 2.703 2.509 2.887 . 0 0 "[ . 1 . 2]" 1
567 1 33 ALA MB 1 34 GLU H . . 4.620 3.752 3.681 3.789 . 0 0 "[ . 1 . 2]" 1
568 1 33 ALA MB 1 34 GLU HA . . 4.660 4.211 4.145 4.256 . 0 0 "[ . 1 . 2]" 1
569 1 34 GLU H 1 34 GLU HB2 . . 3.800 2.951 2.455 3.312 . 0 0 "[ . 1 . 2]" 1
570 1 34 GLU H 1 34 GLU QB . . 3.290 2.559 2.414 2.635 . 0 0 "[ . 1 . 2]" 1
571 1 34 GLU H 1 34 GLU HB3 . . 3.800 2.889 2.579 3.607 . 0 0 "[ . 1 . 2]" 1
572 1 34 GLU H 1 34 GLU QG . . 4.590 4.069 3.409 4.283 . 0 0 "[ . 1 . 2]" 1
573 1 34 GLU H 1 35 ASN H . . 3.080 1.972 1.896 2.355 . 0 0 "[ . 1 . 2]" 1
574 1 34 GLU HA 1 34 GLU HG2 . . 4.070 3.143 2.129 3.778 . 0 0 "[ . 1 . 2]" 1
575 1 34 GLU HA 1 34 GLU QG . . 3.500 2.513 2.087 3.050 . 0 0 "[ . 1 . 2]" 1
576 1 34 GLU HA 1 34 GLU HG3 . . 4.070 2.702 2.197 3.220 . 0 0 "[ . 1 . 2]" 1
577 1 34 GLU QB 1 34 GLU QG . . 2.330 2.091 2.013 2.134 . 0 0 "[ . 1 . 2]" 1
578 1 34 GLU QB 1 35 ASN H . . 3.400 2.537 2.115 2.753 . 0 0 "[ . 1 . 2]" 1
579 1 34 GLU HB2 1 35 ASN H . . 4.040 3.647 2.532 4.014 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLU HB3 1 35 ASN H . . 4.040 2.636 2.129 3.432 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLU QG 1 35 ASN H . . 4.640 3.915 3.233 4.397 . 0 0 "[ . 1 . 2]" 1
582 1 34 GLU HG2 1 35 ASN H . . 5.290 4.460 3.317 5.034 . 0 0 "[ . 1 . 2]" 1
583 1 34 GLU HG3 1 35 ASN H . . 5.290 4.549 3.535 5.118 . 0 0 "[ . 1 . 2]" 1
584 1 35 ASN H 1 35 ASN HB2 . . 3.950 2.903 2.376 3.683 . 0 0 "[ . 1 . 2]" 1
585 1 35 ASN H 1 35 ASN QB . . 3.340 2.714 2.344 3.055 . 0 0 "[ . 1 . 2]" 1
586 1 35 ASN H 1 35 ASN HB3 . . 3.950 3.593 3.185 3.844 . 0 0 "[ . 1 . 2]" 1
587 1 35 ASN H 1 35 ASN HD21 . . 4.600 3.787 2.510 4.280 . 0 0 "[ . 1 . 2]" 1
588 1 35 ASN H 1 35 ASN QD . . 3.970 3.481 2.444 3.904 . 0 0 "[ . 1 . 2]" 1
589 1 35 ASN H 1 35 ASN HD22 . . 4.600 4.142 3.359 4.564 . 0 0 "[ . 1 . 2]" 1
590 1 35 ASN HA 1 36 ASP H . . 3.100 2.631 2.490 2.799 . 0 0 "[ . 1 . 2]" 1
591 1 35 ASN QB 1 36 ASP H . . 3.300 2.272 2.027 2.553 . 0 0 "[ . 1 . 2]" 1
592 1 35 ASN QB 1 49 CYS QB . . 3.600 2.822 2.227 3.436 . 0 0 "[ . 1 . 2]" 1
593 1 35 ASN HB2 1 36 ASP H . . 4.120 2.982 2.043 3.623 . 0 0 "[ . 1 . 2]" 1
594 1 35 ASN HB3 1 36 ASP H . . 4.120 2.633 2.102 3.591 . 0 0 "[ . 1 . 2]" 1
595 1 35 ASN QD 1 51 SER QB . . 3.560 2.732 2.201 3.321 . 0 0 "[ . 1 . 2]" 1
596 1 35 ASN HD21 1 51 SER HB2 . . 4.820 3.340 2.390 4.313 . 0 0 "[ . 1 . 2]" 1
597 1 35 ASN HD21 1 51 SER HB3 . . 4.820 3.550 2.704 4.389 . 0 0 "[ . 1 . 2]" 1
598 1 35 ASN HD22 1 51 SER HB2 . . 4.820 3.975 2.838 4.672 . 0 0 "[ . 1 . 2]" 1
599 1 35 ASN HD22 1 51 SER HB3 . . 4.820 3.884 2.359 4.652 . 0 0 "[ . 1 . 2]" 1
600 1 36 ASP H 1 36 ASP HB2 . . 3.690 3.295 2.236 3.569 . 0 0 "[ . 1 . 2]" 1
601 1 36 ASP H 1 36 ASP QB . . 3.060 2.697 2.212 2.890 . 0 0 "[ . 1 . 2]" 1
602 1 36 ASP H 1 36 ASP HB3 . . 3.690 3.062 2.693 3.635 . 0 0 "[ . 1 . 2]" 1
603 1 36 ASP HA 1 37 LYS H . . 3.360 2.531 2.380 2.661 . 0 0 "[ . 1 . 2]" 1
604 1 36 ASP HB2 1 37 LYS H . . 3.920 2.709 2.194 3.554 . 0 0 "[ . 1 . 2]" 1
605 1 36 ASP HB3 1 37 LYS H . . 3.920 3.371 2.143 3.886 . 0 0 "[ . 1 . 2]" 1
606 1 37 LYS H 1 37 LYS HB2 . . 3.700 2.463 2.355 2.547 . 0 0 "[ . 1 . 2]" 1
607 1 37 LYS H 1 37 LYS HB3 . . 3.920 3.549 3.538 3.565 . 0 0 "[ . 1 . 2]" 1
608 1 37 LYS H 1 37 LYS QD . . 3.740 3.004 2.866 3.200 . 0 0 "[ . 1 . 2]" 1
609 1 37 LYS H 1 37 LYS HG2 . . 4.110 3.665 3.458 3.996 . 0 0 "[ . 1 . 2]" 1
610 1 37 LYS H 1 37 LYS QG . . 3.450 2.200 1.940 2.654 . 0 0 "[ . 1 . 2]" 1
611 1 37 LYS H 1 37 LYS HG3 . . 4.110 2.219 1.950 2.694 . 0 0 "[ . 1 . 2]" 1
612 1 37 LYS H 1 49 CYS QB . . 5.310 4.309 3.858 4.606 . 0 0 "[ . 1 . 2]" 1
613 1 37 LYS HA 1 37 LYS HD2 . . 4.840 4.578 4.340 4.669 . 0 0 "[ . 1 . 2]" 1
614 1 37 LYS HA 1 37 LYS QD . . 4.170 4.050 3.939 4.092 . 0 0 "[ . 1 . 2]" 1
615 1 37 LYS HA 1 37 LYS HD3 . . 4.840 4.517 4.417 4.560 . 0 0 "[ . 1 . 2]" 1
616 1 37 LYS HA 1 37 LYS HG2 . . 4.260 2.846 2.702 2.954 . 0 0 "[ . 1 . 2]" 1
617 1 37 LYS HA 1 37 LYS QG . . 3.740 2.420 2.309 2.474 . 0 0 "[ . 1 . 2]" 1
618 1 37 LYS HA 1 37 LYS HG3 . . 4.260 2.626 2.410 2.731 . 0 0 "[ . 1 . 2]" 1
619 1 37 LYS HA 1 39 VAL H . . 4.350 3.967 3.771 4.082 . 0 0 "[ . 1 . 2]" 1
620 1 37 LYS HA 1 48 MET HA . . 4.680 3.548 3.442 3.671 . 0 0 "[ . 1 . 2]" 1
621 1 37 LYS HA 1 49 CYS H . . 5.030 3.368 3.270 3.477 . 0 0 "[ . 1 . 2]" 1
622 1 37 LYS HA 1 49 CYS HA . . 4.060 2.045 1.995 2.162 . 0 0 "[ . 1 . 2]" 1
623 1 37 LYS HA 1 50 THR H . . 5.030 4.038 3.855 4.174 . 0 0 "[ . 1 . 2]" 1
624 1 37 LYS HB2 1 37 LYS QD . . 3.770 2.168 1.983 2.243 . 0 0 "[ . 1 . 2]" 1
625 1 37 LYS HB2 1 38 ASP H . . 4.480 2.343 2.271 2.569 . 0 0 "[ . 1 . 2]" 1
626 1 37 LYS HB2 1 79 VAL MG2 . . 4.040 2.744 2.106 3.004 . 0 0 "[ . 1 . 2]" 1
627 1 37 LYS HB3 1 38 ASP H . . 4.580 3.417 3.275 3.586 . 0 0 "[ . 1 . 2]" 1
628 1 37 LYS HB3 1 48 MET H . . 4.800 1.972 1.946 2.098 . 0 0 "[ . 1 . 2]" 1
629 1 37 LYS HB3 1 48 MET HA . . 5.020 3.366 3.233 3.508 . 0 0 "[ . 1 . 2]" 1
630 1 37 LYS HB3 1 79 VAL MG2 . . 4.320 3.929 3.513 4.100 . 0 0 "[ . 1 . 2]" 1
631 1 37 LYS QE 1 37 LYS QG . . 3.340 2.087 1.965 2.129 . 0 0 "[ . 1 . 2]" 1
632 1 37 LYS QE 1 47 LEU HB2 . . 3.940 2.100 1.987 2.183 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS HE2 1 47 LEU HB2 . . 4.590 2.117 1.999 2.205 . 0 0 "[ . 1 . 2]" 1
634 1 37 LYS HE3 1 47 LEU HB2 . . 4.590 3.508 3.450 3.612 . 0 0 "[ . 1 . 2]" 1
635 1 37 LYS QG 1 49 CYS H . . 4.780 3.680 3.542 3.810 . 0 0 "[ . 1 . 2]" 1
636 1 38 ASP H 1 39 VAL H . . 3.140 2.681 2.605 2.796 . 0 0 "[ . 1 . 2]" 1
637 1 38 ASP H 1 39 VAL HB . . 5.060 5.056 5.026 5.070 0.010 20 0 "[ . 1 . 2]" 1
638 1 38 ASP H 1 39 VAL MG1 . . 5.120 4.704 4.640 4.871 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL H 1 39 VAL HB . . 3.960 3.084 2.988 3.145 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL H 1 39 VAL MG1 . . 3.260 2.706 2.645 2.761 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL H 1 39 VAL MG2 . . 4.100 4.012 3.988 4.035 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL H 1 47 LEU HB2 . . 5.500 5.498 5.417 5.514 0.014 18 0 "[ . 1 . 2]" 1
643 1 39 VAL H 1 47 LEU HB3 . . 4.290 3.966 3.786 4.070 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL H 1 49 CYS HA . . 4.810 4.780 4.619 4.831 0.021 14 0 "[ . 1 . 2]" 1
645 1 39 VAL H 1 77 ILE QG . . 4.490 3.111 2.510 3.356 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL HA 1 39 VAL MG2 . . 3.120 2.056 2.002 2.219 . 0 0 "[ . 1 . 2]" 1
647 1 39 VAL HA 1 40 LYS H . . 3.100 2.566 2.375 2.611 . 0 0 "[ . 1 . 2]" 1
648 1 39 VAL HA 1 77 ILE H . . 2.960 2.081 1.949 2.457 . 0 0 "[ . 1 . 2]" 1
649 1 39 VAL HA 1 77 ILE HG12 . . 4.530 4.033 3.405 4.531 0.001 7 0 "[ . 1 . 2]" 1
650 1 39 VAL HA 1 77 ILE HG13 . . 4.530 2.963 2.280 3.612 . 0 0 "[ . 1 . 2]" 1
651 1 39 VAL HB 1 40 LYS H . . 4.330 3.966 3.913 4.210 . 0 0 "[ . 1 . 2]" 1
652 1 39 VAL HB 1 50 THR H . . 4.780 3.258 3.013 3.840 . 0 0 "[ . 1 . 2]" 1
653 1 39 VAL HB 1 50 THR MG . . 4.360 4.136 3.846 4.345 . 0 0 "[ . 1 . 2]" 1
654 1 39 VAL HB 1 77 ILE H . . 4.810 4.400 4.095 4.810 . 0 0 "[ . 1 . 2]" 1
655 1 39 VAL MG1 1 48 MET H . . 3.450 1.933 1.913 2.032 . 0 0 "[ . 1 . 2]" 1
656 1 39 VAL MG1 1 48 MET QB . . 4.160 3.536 3.437 3.629 . 0 0 "[ . 1 . 2]" 1
657 1 39 VAL MG1 1 48 MET ME . . 3.910 3.608 3.407 3.802 . 0 0 "[ . 1 . 2]" 1
658 1 39 VAL MG1 1 48 MET HG2 . . 3.430 2.078 1.939 2.249 . 0 0 "[ . 1 . 2]" 1
659 1 39 VAL MG1 1 48 MET HG3 . . 3.790 2.285 2.106 2.515 . 0 0 "[ . 1 . 2]" 1
660 1 39 VAL MG1 1 49 CYS HA . . 3.990 3.476 3.358 3.659 . 0 0 "[ . 1 . 2]" 1
661 1 39 VAL MG1 1 50 THR H . . 4.380 3.199 2.965 3.850 . 0 0 "[ . 1 . 2]" 1
662 1 39 VAL MG1 1 50 THR HA . . 3.970 3.504 3.340 3.722 . 0 0 "[ . 1 . 2]" 1
663 1 39 VAL MG1 1 50 THR MG . . 4.730 4.161 3.795 4.456 . 0 0 "[ . 1 . 2]" 1
664 1 39 VAL MG1 1 53 LEU HB2 . . 4.200 4.092 3.918 4.193 . 0 0 "[ . 1 . 2]" 1
665 1 39 VAL MG1 1 74 THR HA . . 5.500 5.473 5.309 5.508 0.008 14 0 "[ . 1 . 2]" 1
666 1 39 VAL MG1 1 74 THR HB . . 5.340 5.164 4.722 5.340 . 0 0 "[ . 1 . 2]" 1
667 1 39 VAL MG2 1 40 LYS H . . 3.260 2.043 1.938 2.161 . 0 0 "[ . 1 . 2]" 1
668 1 39 VAL MG2 1 50 THR HA . . 4.250 4.001 3.748 4.249 . 0 0 "[ . 1 . 2]" 1
669 1 39 VAL MG2 1 74 THR HA . . 4.710 4.153 3.829 4.337 . 0 0 "[ . 1 . 2]" 1
670 1 39 VAL MG2 1 74 THR HB . . 4.280 3.690 3.292 3.917 . 0 0 "[ . 1 . 2]" 1
671 1 39 VAL MG2 1 75 GLU H . . 3.760 3.239 2.830 3.742 . 0 0 "[ . 1 . 2]" 1
672 1 39 VAL MG2 1 77 ILE H . . 4.560 3.410 3.162 3.799 . 0 0 "[ . 1 . 2]" 1
673 1 40 LYS H 1 40 LYS HB2 . . 4.070 3.551 3.445 3.647 . 0 0 "[ . 1 . 2]" 1
674 1 40 LYS H 1 40 LYS HB3 . . 3.550 2.909 2.692 2.986 . 0 0 "[ . 1 . 2]" 1
675 1 40 LYS H 1 75 GLU H . . 3.930 3.235 2.894 3.567 . 0 0 "[ . 1 . 2]" 1
676 1 40 LYS H 1 75 GLU QG . . 4.990 4.429 4.108 4.992 0.002 16 0 "[ . 1 . 2]" 1
677 1 40 LYS H 1 77 ILE H . . 4.730 4.028 3.737 4.368 . 0 0 "[ . 1 . 2]" 1
678 1 40 LYS H 1 77 ILE QG . . 4.520 3.882 3.269 4.320 . 0 0 "[ . 1 . 2]" 1
679 1 40 LYS H 1 77 ILE MG . . 3.590 3.401 2.167 3.591 0.001 17 0 "[ . 1 . 2]" 1
680 1 40 LYS HA 1 40 LYS QD . . 4.530 4.012 3.849 4.127 . 0 0 "[ . 1 . 2]" 1
681 1 40 LYS HA 1 40 LYS HG2 . . 4.030 3.271 2.983 3.478 . 0 0 "[ . 1 . 2]" 1
682 1 40 LYS HA 1 40 LYS HG3 . . 4.030 2.631 2.502 2.774 . 0 0 "[ . 1 . 2]" 1
683 1 40 LYS HA 1 41 ILE H . . 3.170 2.326 2.232 2.421 . 0 0 "[ . 1 . 2]" 1
684 1 40 LYS HA 1 41 ILE HB . . 4.630 4.571 4.482 4.635 0.005 13 0 "[ . 1 . 2]" 1
685 1 40 LYS HA 1 47 LEU HA . . 3.670 2.253 1.996 2.342 . 0 0 "[ . 1 . 2]" 1
686 1 40 LYS HA 1 47 LEU QD . . 2.990 2.100 1.951 2.492 . 0 0 "[ . 1 . 2]" 1
687 1 40 LYS HA 1 48 MET H . . 4.580 3.856 3.711 3.931 . 0 0 "[ . 1 . 2]" 1
688 1 40 LYS HA 1 48 MET ME . . 5.010 4.778 4.322 5.012 0.002 2 0 "[ . 1 . 2]" 1
689 1 40 LYS HB2 1 40 LYS QE . . 4.260 3.799 2.693 4.247 . 0 0 "[ . 1 . 2]" 1
690 1 40 LYS HB2 1 41 ILE H . . 4.290 3.930 3.733 4.106 . 0 0 "[ . 1 . 2]" 1
691 1 40 LYS HB2 1 47 LEU HA . . 4.750 4.116 3.751 4.287 . 0 0 "[ . 1 . 2]" 1
692 1 40 LYS HB2 1 47 LEU QD . . 3.290 2.271 1.957 2.513 . 0 0 "[ . 1 . 2]" 1
693 1 40 LYS HB2 1 48 MET H . . 5.500 5.447 5.219 5.502 0.002 16 0 "[ . 1 . 2]" 1
694 1 40 LYS HB2 1 77 ILE MD . . 3.990 3.620 3.263 3.986 . 0 0 "[ . 1 . 2]" 1
695 1 40 LYS HB2 1 77 ILE MG . . 3.880 3.183 2.670 3.768 . 0 0 "[ . 1 . 2]" 1
696 1 40 LYS HB3 1 40 LYS QE . . 4.260 4.055 3.779 4.241 . 0 0 "[ . 1 . 2]" 1
697 1 40 LYS HB3 1 41 ILE H . . 4.390 4.086 3.855 4.311 . 0 0 "[ . 1 . 2]" 1
698 1 40 LYS HB3 1 47 LEU QD . . 3.670 3.563 3.302 3.675 0.005 14 0 "[ . 1 . 2]" 1
699 1 40 LYS HB3 1 77 ILE QG . . 4.160 2.777 2.583 3.179 . 0 0 "[ . 1 . 2]" 1
700 1 40 LYS QD 1 41 ILE H . . 4.650 4.310 4.025 4.651 0.001 12 0 "[ . 1 . 2]" 1
701 1 40 LYS QD 1 45 GLY HA2 . . 5.180 4.107 3.634 4.624 . 0 0 "[ . 1 . 2]" 1
702 1 40 LYS QD 1 47 LEU QD . . 3.610 2.779 2.086 3.289 . 0 0 "[ . 1 . 2]" 1
703 1 40 LYS QE 1 42 GLU QG . . 4.300 2.818 1.990 4.289 . 0 0 "[ . 1 . 2]" 1
704 1 40 LYS QE 1 45 GLY H . . 4.790 4.431 3.949 4.787 . 0 0 "[ . 1 . 2]" 1
705 1 40 LYS QE 1 45 GLY HA2 . . 4.030 2.436 1.807 2.894 . 0 0 "[ . 1 . 2]" 1
706 1 40 LYS QE 1 45 GLY HA3 . . 4.190 3.509 2.409 4.184 . 0 0 "[ . 1 . 2]" 1
707 1 40 LYS QE 1 47 LEU QD . . 3.710 2.845 1.688 3.678 . 0 0 "[ . 1 . 2]" 1
708 1 40 LYS QG 1 41 ILE H . . 3.310 2.149 1.885 2.521 . 0 0 "[ . 1 . 2]" 1
709 1 40 LYS QG 1 45 GLY HA2 . . 4.090 2.942 2.563 3.200 . 0 0 "[ . 1 . 2]" 1
710 1 40 LYS QG 1 45 GLY HA3 . . 4.660 4.364 3.898 4.657 . 0 0 "[ . 1 . 2]" 1
711 1 40 LYS QG 1 47 LEU QD . . 3.130 2.060 1.863 2.303 . 0 0 "[ . 1 . 2]" 1
712 1 40 LYS HG2 1 41 ILE H . . 3.910 2.692 2.260 3.372 . 0 0 "[ . 1 . 2]" 1
713 1 40 LYS HG2 1 45 GLY HA2 . . 4.850 3.585 2.951 3.701 . 0 0 "[ . 1 . 2]" 1
714 1 40 LYS HG2 1 45 GLY HA3 . . 5.410 5.306 4.628 5.413 0.003 17 0 "[ . 1 . 2]" 1
715 1 40 LYS HG3 1 41 ILE H . . 3.910 2.332 1.954 3.015 . 0 0 "[ . 1 . 2]" 1
716 1 40 LYS HG3 1 45 GLY HA2 . . 4.850 3.144 2.764 3.545 . 0 0 "[ . 1 . 2]" 1
717 1 40 LYS HG3 1 45 GLY HA3 . . 5.410 4.655 4.196 5.094 . 0 0 "[ . 1 . 2]" 1
718 1 41 ILE H 1 41 ILE HB . . 3.410 2.554 2.449 2.695 . 0 0 "[ . 1 . 2]" 1
719 1 41 ILE H 1 41 ILE MD . . 4.120 3.814 3.694 3.964 . 0 0 "[ . 1 . 2]" 1
720 1 41 ILE H 1 41 ILE HG12 . . 4.050 2.647 2.469 2.833 . 0 0 "[ . 1 . 2]" 1
721 1 41 ILE H 1 41 ILE QG . . 3.480 2.605 2.436 2.777 . 0 0 "[ . 1 . 2]" 1
722 1 41 ILE H 1 41 ILE HG13 . . 4.050 3.881 3.662 4.002 . 0 0 "[ . 1 . 2]" 1
723 1 41 ILE H 1 41 ILE MG . . 3.850 3.805 3.758 3.869 0.019 19 0 "[ . 1 . 2]" 1
724 1 41 ILE H 1 47 LEU HA . . 4.530 3.337 3.018 3.689 . 0 0 "[ . 1 . 2]" 1
725 1 41 ILE H 1 47 LEU QD . . 4.010 2.771 2.356 3.331 . 0 0 "[ . 1 . 2]" 1
726 1 41 ILE H 1 48 MET ME . . 4.750 4.478 4.261 4.750 . 0 0 "[ . 1 . 2]" 1
727 1 41 ILE HA 1 41 ILE MD . . 3.350 2.097 2.026 2.400 . 0 0 "[ . 1 . 2]" 1
728 1 41 ILE HA 1 41 ILE MG . . 3.210 2.415 2.253 2.507 . 0 0 "[ . 1 . 2]" 1
729 1 41 ILE HA 1 42 GLU H . . 3.050 2.247 2.211 2.287 . 0 0 "[ . 1 . 2]" 1
730 1 41 ILE HA 1 71 ILE MG . . 4.220 3.029 2.760 3.460 . 0 0 "[ . 1 . 2]" 1
731 1 41 ILE HA 1 74 THR HA . . 3.630 3.378 3.171 3.620 . 0 0 "[ . 1 . 2]" 1
732 1 41 ILE HA 1 74 THR MG . . 3.460 2.432 1.958 2.749 . 0 0 "[ . 1 . 2]" 1
733 1 41 ILE HB 1 41 ILE MD . . 3.560 3.193 3.157 3.198 . 0 0 "[ . 1 . 2]" 1
734 1 41 ILE HB 1 42 GLU H . . 4.260 4.098 3.948 4.222 . 0 0 "[ . 1 . 2]" 1
735 1 41 ILE HB 1 44 CYS QB . . 4.610 3.582 3.185 4.361 . 0 0 "[ . 1 . 2]" 1
736 1 41 ILE HB 1 45 GLY H . . 4.460 3.117 3.010 3.258 . 0 0 "[ . 1 . 2]" 1
737 1 41 ILE HB 1 45 GLY HA2 . . 4.970 4.496 4.286 4.628 . 0 0 "[ . 1 . 2]" 1
738 1 41 ILE HB 1 46 HIS H . . 3.800 2.154 1.944 2.410 . 0 0 "[ . 1 . 2]" 1
739 1 41 ILE HB 1 46 HIS HB2 . . 4.860 2.329 2.119 2.507 . 0 0 "[ . 1 . 2]" 1
740 1 41 ILE HB 1 46 HIS HB3 . . 4.860 3.805 3.569 3.971 . 0 0 "[ . 1 . 2]" 1
741 1 41 ILE MD 1 42 GLU H . . 3.920 3.482 3.280 3.732 . 0 0 "[ . 1 . 2]" 1
742 1 41 ILE MD 1 46 HIS H . . 5.120 4.941 4.711 5.126 0.006 19 0 "[ . 1 . 2]" 1
743 1 41 ILE MD 1 46 HIS QB . . 4.440 4.242 4.029 4.442 0.002 16 0 "[ . 1 . 2]" 1
744 1 41 ILE MD 1 48 MET ME . . 2.940 2.779 2.306 2.943 0.003 17 0 "[ . 1 . 2]" 1
745 1 41 ILE MD 1 48 MET HG2 . . 4.390 3.583 3.380 3.926 . 0 0 "[ . 1 . 2]" 1
746 1 41 ILE MD 1 48 MET HG3 . . 5.160 4.418 3.997 4.810 . 0 0 "[ . 1 . 2]" 1
747 1 41 ILE MD 1 64 CYS HA . . 3.610 3.463 3.161 3.601 . 0 0 "[ . 1 . 2]" 1
748 1 41 ILE MD 1 64 CYS QB . . 4.320 3.626 3.356 3.881 . 0 0 "[ . 1 . 2]" 1
749 1 41 ILE MD 1 65 PRO HD2 . . 4.080 3.921 3.668 4.081 0.001 10 0 "[ . 1 . 2]" 1
750 1 41 ILE MD 1 65 PRO HD3 . . 4.170 4.110 3.718 4.175 0.005 18 0 "[ . 1 . 2]" 1
751 1 41 ILE QG 1 46 HIS H . . 5.020 3.819 3.491 4.074 . 0 0 "[ . 1 . 2]" 1
752 1 41 ILE QG 1 48 MET ME . . 3.010 1.877 1.752 2.033 . 0 0 "[ . 1 . 2]" 1
753 1 41 ILE QG 1 64 CYS HA . . 4.830 4.156 3.740 4.443 . 0 0 "[ . 1 . 2]" 1
754 1 41 ILE HG12 1 41 ILE MG . . 3.630 3.225 3.201 3.230 . 0 0 "[ . 1 . 2]" 1
755 1 41 ILE HG13 1 41 ILE MG . . 3.630 2.551 2.521 2.612 . 0 0 "[ . 1 . 2]" 1
756 1 41 ILE MG 1 42 GLU H . . 3.340 2.207 2.041 2.419 . 0 0 "[ . 1 . 2]" 1
757 1 41 ILE MG 1 42 GLU QG . . 5.100 4.663 4.598 4.741 . 0 0 "[ . 1 . 2]" 1
758 1 41 ILE MG 1 43 PRO HD2 . . 5.040 4.875 4.740 4.945 . 0 0 "[ . 1 . 2]" 1
759 1 41 ILE MG 1 44 CYS H . . 4.260 3.751 3.491 4.026 . 0 0 "[ . 1 . 2]" 1
760 1 41 ILE MG 1 45 GLY H . . 3.920 3.289 3.031 3.506 . 0 0 "[ . 1 . 2]" 1
761 1 41 ILE MG 1 46 HIS H . . 4.270 3.307 3.036 3.568 . 0 0 "[ . 1 . 2]" 1
762 1 41 ILE MG 1 64 CYS HB2 . . 4.070 2.404 2.067 2.678 . 0 0 "[ . 1 . 2]" 1
763 1 41 ILE MG 1 64 CYS QB . . 3.420 2.357 2.045 2.614 . 0 0 "[ . 1 . 2]" 1
764 1 41 ILE MG 1 64 CYS HB3 . . 4.070 3.421 3.205 3.650 . 0 0 "[ . 1 . 2]" 1
765 1 41 ILE MG 1 71 ILE HA . . 3.750 3.497 3.367 3.677 . 0 0 "[ . 1 . 2]" 1
766 1 41 ILE MG 1 71 ILE HG12 . . 3.500 2.877 2.332 3.440 . 0 0 "[ . 1 . 2]" 1
767 1 41 ILE MG 1 72 LYS H . . 4.220 3.912 3.726 4.202 . 0 0 "[ . 1 . 2]" 1
768 1 42 GLU H 1 42 GLU HB2 . . 4.010 2.624 2.540 2.638 . 0 0 "[ . 1 . 2]" 1
769 1 42 GLU H 1 42 GLU HB3 . . 3.630 3.556 3.475 3.592 . 0 0 "[ . 1 . 2]" 1
770 1 42 GLU H 1 42 GLU HG2 . . 4.600 4.363 4.009 4.578 . 0 0 "[ . 1 . 2]" 1
771 1 42 GLU H 1 42 GLU QG . . 3.930 3.718 3.672 3.759 . 0 0 "[ . 1 . 2]" 1
772 1 42 GLU H 1 42 GLU HG3 . . 4.600 4.059 3.884 4.298 . 0 0 "[ . 1 . 2]" 1
773 1 42 GLU H 1 72 LYS H . . 4.950 3.761 3.587 3.904 . 0 0 "[ . 1 . 2]" 1
774 1 42 GLU H 1 73 GLY H . . 3.770 3.025 2.832 3.198 . 0 0 "[ . 1 . 2]" 1
775 1 42 GLU H 1 74 THR HA . . 4.070 4.017 3.857 4.075 0.005 13 0 "[ . 1 . 2]" 1
776 1 42 GLU H 1 74 THR MG . . 4.130 2.907 2.705 3.147 . 0 0 "[ . 1 . 2]" 1
777 1 42 GLU HA 1 42 GLU HG2 . . 4.050 2.135 1.988 2.345 . 0 0 "[ . 1 . 2]" 1
778 1 42 GLU HA 1 42 GLU QG . . 3.510 2.071 1.971 2.184 . 0 0 "[ . 1 . 2]" 1
779 1 42 GLU HA 1 42 GLU HG3 . . 4.050 2.926 2.605 3.377 . 0 0 "[ . 1 . 2]" 1
780 1 42 GLU HA 1 44 CYS H . . 3.750 2.653 2.516 2.905 . 0 0 "[ . 1 . 2]" 1
781 1 42 GLU HA 1 73 GLY H . . 4.920 4.539 4.279 4.933 0.013 15 0 "[ . 1 . 2]" 1
782 1 42 GLU HB2 1 43 PRO HA . . 3.520 3.425 3.396 3.443 . 0 0 "[ . 1 . 2]" 1
783 1 42 GLU HB2 1 73 GLY H . . 4.880 3.359 3.013 3.790 . 0 0 "[ . 1 . 2]" 1
784 1 42 GLU HB2 1 73 GLY HA2 . . 4.930 4.108 3.657 4.922 . 0 0 "[ . 1 . 2]" 1
785 1 42 GLU HB2 1 73 GLY QA . . 4.130 2.501 2.027 3.415 . 0 0 "[ . 1 . 2]" 1
786 1 42 GLU HB2 1 73 GLY HA3 . . 4.930 2.524 2.037 3.483 . 0 0 "[ . 1 . 2]" 1
787 1 42 GLU HB2 1 74 THR HA . . 4.630 4.314 4.176 4.403 . 0 0 "[ . 1 . 2]" 1
788 1 42 GLU HB3 1 43 PRO HA . . 3.910 2.032 2.004 2.074 . 0 0 "[ . 1 . 2]" 1
789 1 42 GLU HB3 1 73 GLY H . . 3.950 3.357 2.874 3.953 0.003 15 0 "[ . 1 . 2]" 1
790 1 42 GLU HB3 1 73 GLY QA . . 4.380 2.888 2.435 3.888 . 0 0 "[ . 1 . 2]" 1
791 1 42 GLU QG 1 45 GLY H . . 4.710 3.759 3.474 4.406 . 0 0 "[ . 1 . 2]" 1
792 1 43 PRO QB 1 44 CYS H . . 4.090 3.596 3.460 3.663 . 0 0 "[ . 1 . 2]" 1
793 1 43 PRO HD2 1 44 CYS H . . 3.840 2.485 2.337 2.574 . 0 0 "[ . 1 . 2]" 1
794 1 43 PRO HD2 1 72 LYS H . . 4.350 4.033 3.401 4.351 0.001 11 0 "[ . 1 . 2]" 1
795 1 43 PRO HD2 1 72 LYS HB2 . . 4.220 3.773 3.406 4.199 . 0 0 "[ . 1 . 2]" 1
796 1 43 PRO HD2 1 72 LYS QD . . 4.890 3.932 2.471 4.895 0.005 11 0 "[ . 1 . 2]" 1
797 1 43 PRO HD2 1 72 LYS QG . . 4.630 2.815 2.312 3.271 . 0 0 "[ . 1 . 2]" 1
798 1 43 PRO HD3 1 44 CYS H . . 4.480 3.689 3.630 3.728 . 0 0 "[ . 1 . 2]" 1
799 1 43 PRO HD3 1 71 ILE MG . . 5.250 4.778 4.205 5.264 0.014 15 0 "[ . 1 . 2]" 1
800 1 43 PRO HD3 1 72 LYS H . . 3.960 3.437 2.942 3.909 . 0 0 "[ . 1 . 2]" 1
801 1 43 PRO HD3 1 72 LYS HB2 . . 4.150 2.176 1.986 2.503 . 0 0 "[ . 1 . 2]" 1
802 1 43 PRO HD3 1 72 LYS HB3 . . 4.190 3.575 3.200 3.860 . 0 0 "[ . 1 . 2]" 1
803 1 43 PRO HD3 1 72 LYS QD . . 4.260 3.253 1.985 4.198 . 0 0 "[ . 1 . 2]" 1
804 1 43 PRO HD3 1 72 LYS HG2 . . 4.320 3.109 2.041 4.294 . 0 0 "[ . 1 . 2]" 1
805 1 43 PRO HD3 1 72 LYS HG3 . . 4.320 2.341 1.990 3.092 . 0 0 "[ . 1 . 2]" 1
806 1 43 PRO HD3 1 73 GLY H . . 5.030 3.569 3.135 3.948 . 0 0 "[ . 1 . 2]" 1
807 1 43 PRO HG2 1 44 CYS H . . 3.890 3.543 3.288 3.677 . 0 0 "[ . 1 . 2]" 1
808 1 43 PRO HG2 1 72 LYS QE . . 4.890 4.712 4.003 4.898 0.008 8 0 "[ . 1 . 2]" 1
809 1 43 PRO HG3 1 44 CYS H . . 4.600 4.511 4.340 4.601 0.001 6 0 "[ . 1 . 2]" 1
810 1 43 PRO HG3 1 72 LYS QE . . 4.990 4.413 3.815 4.823 . 0 0 "[ . 1 . 2]" 1
811 1 44 CYS H 1 44 CYS HB2 . . 4.010 2.959 2.467 3.586 . 0 0 "[ . 1 . 2]" 1
812 1 44 CYS H 1 44 CYS QB . . 3.440 2.465 2.276 2.754 . 0 0 "[ . 1 . 2]" 1
813 1 44 CYS H 1 44 CYS HB3 . . 4.010 2.689 2.470 2.864 . 0 0 "[ . 1 . 2]" 1
814 1 44 CYS H 1 45 GLY H . . 3.770 3.477 3.409 3.702 . 0 0 "[ . 1 . 2]" 1
815 1 44 CYS H 1 72 LYS QG . . 5.150 4.745 4.389 5.099 . 0 0 "[ . 1 . 2]" 1
816 1 44 CYS QB 1 46 HIS H . . 4.650 2.873 2.592 3.313 . 0 0 "[ . 1 . 2]" 1
817 1 45 GLY H 1 46 HIS H . . 3.400 1.893 1.879 1.902 . 0 0 "[ . 1 . 2]" 1
818 1 46 HIS H 1 46 HIS HB2 . . 3.760 2.447 2.186 2.586 . 0 0 "[ . 1 . 2]" 1
819 1 46 HIS H 1 46 HIS QB . . 3.170 2.407 2.164 2.538 . 0 0 "[ . 1 . 2]" 1
820 1 46 HIS H 1 46 HIS HB3 . . 3.760 3.596 3.470 3.684 . 0 0 "[ . 1 . 2]" 1
821 1 46 HIS H 1 46 HIS HD2 . . 4.990 3.896 3.492 4.355 . 0 0 "[ . 1 . 2]" 1
822 1 46 HIS HA 1 46 HIS HD2 . . 3.430 2.426 2.167 2.765 . 0 0 "[ . 1 . 2]" 1
823 1 46 HIS HA 1 47 LEU H . . 3.230 2.239 2.187 2.325 . 0 0 "[ . 1 . 2]" 1
824 1 46 HIS HA 1 48 MET ME . . 5.040 4.735 4.532 4.892 . 0 0 "[ . 1 . 2]" 1
825 1 46 HIS QB 1 47 LEU H . . 3.700 3.115 2.796 3.465 . 0 0 "[ . 1 . 2]" 1
826 1 46 HIS QB 1 66 PHE QB . . 4.450 2.686 2.435 2.841 . 0 0 "[ . 1 . 2]" 1
827 1 46 HIS QB 1 66 PHE QD . . 3.960 2.295 1.986 3.180 . 0 0 "[ . 1 . 2]" 1
828 1 46 HIS QB 1 67 CYS H . . 5.340 4.850 4.479 5.084 . 0 0 "[ . 1 . 2]" 1
829 1 46 HIS HB2 1 47 LEU H . . 4.350 4.191 3.848 4.358 0.008 14 0 "[ . 1 . 2]" 1
830 1 46 HIS HB2 1 48 MET ME . . 3.400 3.247 3.064 3.404 0.004 15 0 "[ . 1 . 2]" 1
831 1 46 HIS HB2 1 66 PHE QD . . 4.760 3.540 2.866 4.245 . 0 0 "[ . 1 . 2]" 1
832 1 46 HIS HB3 1 47 LEU H . . 4.350 3.213 2.872 3.637 . 0 0 "[ . 1 . 2]" 1
833 1 46 HIS HB3 1 48 MET ME . . 3.400 3.176 2.821 3.406 0.006 19 0 "[ . 1 . 2]" 1
834 1 46 HIS HB3 1 66 PHE QD . . 4.760 2.336 1.997 3.285 . 0 0 "[ . 1 . 2]" 1
835 1 46 HIS HD2 1 47 LEU H . . 4.580 4.342 3.663 4.591 0.011 14 0 "[ . 1 . 2]" 1
836 1 46 HIS HE1 1 66 PHE HB2 . . 4.640 4.245 3.846 4.643 0.003 19 0 "[ . 1 . 2]" 1
837 1 46 HIS HE1 1 66 PHE QB . . 3.840 3.252 2.623 3.840 0.000 7 0 "[ . 1 . 2]" 1
838 1 46 HIS HE1 1 66 PHE HB3 . . 4.640 3.398 2.664 4.172 . 0 0 "[ . 1 . 2]" 1
839 1 46 HIS HE1 1 67 CYS HA . . 4.180 4.006 3.486 4.182 0.002 19 0 "[ . 1 . 2]" 1
840 1 46 HIS HE1 1 67 CYS QB . . 2.680 2.378 1.998 2.680 . 0 0 "[ . 1 . 2]" 1
841 1 47 LEU H 1 47 LEU HB2 . . 3.810 2.770 2.283 2.932 . 0 0 "[ . 1 . 2]" 1
842 1 47 LEU H 1 47 LEU MD1 . . 3.830 2.983 2.146 3.741 . 0 0 "[ . 1 . 2]" 1
843 1 47 LEU H 1 47 LEU MD2 . . 3.830 2.251 1.815 3.831 0.001 14 0 "[ . 1 . 2]" 1
844 1 47 LEU H 1 47 LEU HG . . 3.960 3.539 2.134 3.971 0.011 18 0 "[ . 1 . 2]" 1
845 1 47 LEU HA 1 47 LEU MD1 . . 4.230 2.517 1.992 4.016 . 0 0 "[ . 1 . 2]" 1
846 1 47 LEU HA 1 47 LEU QD . . 3.090 2.190 1.982 2.670 . 0 0 "[ . 1 . 2]" 1
847 1 47 LEU HA 1 47 LEU MD2 . . 4.230 3.276 2.056 3.817 . 0 0 "[ . 1 . 2]" 1
848 1 47 LEU HA 1 48 MET H . . 3.130 2.413 2.336 2.535 . 0 0 "[ . 1 . 2]" 1
849 1 47 LEU HA 1 48 MET ME . . 3.770 3.682 3.413 3.771 0.001 9 0 "[ . 1 . 2]" 1
850 1 47 LEU HB2 1 47 LEU MD1 . . 3.610 2.974 2.159 3.218 . 0 0 "[ . 1 . 2]" 1
851 1 47 LEU HB2 1 47 LEU MD2 . . 3.610 2.380 2.114 3.206 . 0 0 "[ . 1 . 2]" 1
852 1 47 LEU HB2 1 48 MET H . . 4.590 3.454 3.261 3.676 . 0 0 "[ . 1 . 2]" 1
853 1 47 LEU HB3 1 48 MET H . . 3.790 2.728 2.342 2.921 . 0 0 "[ . 1 . 2]" 1
854 1 47 LEU HB3 1 48 MET HA . . 5.500 4.555 4.030 4.660 . 0 0 "[ . 1 . 2]" 1
855 1 47 LEU QD 1 48 MET H . . 3.830 3.823 3.739 3.858 0.028 14 0 "[ . 1 . 2]" 1
856 1 47 LEU MD1 1 48 MET H . . 4.830 4.194 3.995 4.832 0.002 17 0 "[ . 1 . 2]" 1
857 1 47 LEU MD2 1 48 MET H . . 4.830 4.607 3.902 4.848 0.018 8 0 "[ . 1 . 2]" 1
858 1 47 LEU HG 1 48 MET H . . 5.220 4.999 3.834 5.207 . 0 0 "[ . 1 . 2]" 1
859 1 48 MET H 1 48 MET QB . . 3.880 3.282 3.225 3.339 . 0 0 "[ . 1 . 2]" 1
860 1 48 MET H 1 48 MET ME . . 4.020 3.934 3.758 4.020 . 0 0 "[ . 1 . 2]" 1
861 1 48 MET H 1 48 MET HG2 . . 3.680 2.657 2.543 2.775 . 0 0 "[ . 1 . 2]" 1
862 1 48 MET H 1 48 MET HG3 . . 3.980 3.637 3.448 3.820 . 0 0 "[ . 1 . 2]" 1
863 1 48 MET HA 1 48 MET ME . . 4.080 4.049 3.965 4.086 0.006 13 0 "[ . 1 . 2]" 1
864 1 48 MET HA 1 49 CYS HA . . 4.620 4.340 4.325 4.361 . 0 0 "[ . 1 . 2]" 1
865 1 48 MET QB 1 48 MET ME . . 2.730 1.930 1.873 2.035 . 0 0 "[ . 1 . 2]" 1
866 1 48 MET QB 1 49 CYS H . . 3.260 2.305 2.211 2.464 . 0 0 "[ . 1 . 2]" 1
867 1 48 MET QB 1 53 LEU H . . 4.650 4.334 3.870 4.655 0.005 13 0 "[ . 1 . 2]" 1
868 1 48 MET QB 1 53 LEU HB2 . . 5.170 3.885 3.192 4.314 . 0 0 "[ . 1 . 2]" 1
869 1 48 MET ME 1 49 CYS H . . 5.110 4.958 4.857 5.110 . 14 0 "[ . 1 . 2]" 1
870 1 48 MET ME 1 64 CYS HA . . 3.820 3.454 3.160 3.720 . 0 0 "[ . 1 . 2]" 1
871 1 48 MET ME 1 65 PRO HD2 . . 3.050 2.082 1.969 2.340 . 0 0 "[ . 1 . 2]" 1
872 1 48 MET ME 1 65 PRO HD3 . . 3.460 3.374 2.995 3.466 0.006 13 0 "[ . 1 . 2]" 1
873 1 48 MET ME 1 66 PHE H . . 3.820 3.522 3.262 3.769 . 0 0 "[ . 1 . 2]" 1
874 1 48 MET ME 1 66 PHE QD . . 3.330 2.360 1.884 2.852 . 0 0 "[ . 1 . 2]" 1
875 1 48 MET ME 1 66 PHE QE . . 3.400 2.368 1.956 2.821 . 0 0 "[ . 1 . 2]" 1
876 1 48 MET HG2 1 49 CYS H . . 4.740 4.330 4.112 4.524 . 0 0 "[ . 1 . 2]" 1
877 1 48 MET HG2 1 53 LEU HB2 . . 4.560 4.117 3.635 4.433 . 0 0 "[ . 1 . 2]" 1
878 1 48 MET HG3 1 49 CYS H . . 3.660 3.294 2.984 3.613 . 0 0 "[ . 1 . 2]" 1
879 1 48 MET HG3 1 53 LEU HB2 . . 4.250 2.762 2.325 3.039 . 0 0 "[ . 1 . 2]" 1
880 1 48 MET HG3 1 53 LEU QD . . 4.780 3.999 2.401 4.414 . 0 0 "[ . 1 . 2]" 1
881 1 49 CYS H 1 52 CYS HB2 . . 4.850 3.390 2.765 4.578 . 0 0 "[ . 1 . 2]" 1
882 1 49 CYS H 1 52 CYS QB . . 4.190 3.238 2.726 4.195 0.005 18 0 "[ . 1 . 2]" 1
883 1 49 CYS H 1 52 CYS HB3 . . 4.850 4.551 2.827 4.894 0.044 18 0 "[ . 1 . 2]" 1
884 1 49 CYS H 1 53 LEU H . . 4.920 4.185 3.773 4.520 . 0 0 "[ . 1 . 2]" 1
885 1 49 CYS H 1 66 PHE QE . . 5.320 5.160 4.787 5.321 0.001 12 0 "[ . 1 . 2]" 1
886 1 49 CYS HA 1 50 THR H . . 3.280 2.229 2.219 2.302 . 0 0 "[ . 1 . 2]" 1
887 1 49 CYS HA 1 50 THR HB . . 5.140 4.736 4.565 4.893 . 0 0 "[ . 1 . 2]" 1
888 1 49 CYS HA 1 51 SER H . . 4.680 4.222 3.568 4.376 . 0 0 "[ . 1 . 2]" 1
889 1 49 CYS QB 1 50 THR H . . 3.700 3.357 2.940 3.458 . 0 0 "[ . 1 . 2]" 1
890 1 49 CYS QB 1 51 SER H . . 3.980 3.328 2.554 3.722 . 0 0 "[ . 1 . 2]" 1
891 1 49 CYS QB 1 52 CYS H . . 4.920 2.989 2.596 3.364 . 0 0 "[ . 1 . 2]" 1
892 1 50 THR H 1 50 THR HB . . 3.540 2.650 2.402 2.868 . 0 0 "[ . 1 . 2]" 1
893 1 50 THR H 1 50 THR MG . . 4.070 3.615 3.512 3.678 . 0 0 "[ . 1 . 2]" 1
894 1 50 THR H 1 51 SER H . . 3.800 3.008 2.592 3.173 . 0 0 "[ . 1 . 2]" 1
895 1 50 THR HA 1 50 THR MG . . 3.280 2.279 2.127 2.413 . 0 0 "[ . 1 . 2]" 1
896 1 50 THR HA 1 53 LEU H . . 4.090 3.109 2.800 3.616 . 0 0 "[ . 1 . 2]" 1
897 1 50 THR HA 1 53 LEU HB2 . . 4.270 3.122 2.504 3.443 . 0 0 "[ . 1 . 2]" 1
898 1 50 THR HA 1 53 LEU HB3 . . 3.640 2.167 2.000 2.333 . 0 0 "[ . 1 . 2]" 1
899 1 50 THR HA 1 53 LEU QD . . 4.310 3.293 2.905 3.614 . 0 0 "[ . 1 . 2]" 1
900 1 50 THR HA 1 54 THR H . . 4.480 3.990 3.389 4.454 . 0 0 "[ . 1 . 2]" 1
901 1 50 THR HB 1 51 SER H . . 3.150 2.434 2.266 3.111 . 0 0 "[ . 1 . 2]" 1
902 1 50 THR MG 1 51 SER H . . 4.130 3.639 3.355 4.081 . 0 0 "[ . 1 . 2]" 1
903 1 50 THR MG 1 54 THR H . . 4.750 4.033 3.358 4.589 . 0 0 "[ . 1 . 2]" 1
904 1 51 SER H 1 51 SER HB2 . . 3.670 2.519 2.135 3.557 . 0 0 "[ . 1 . 2]" 1
905 1 51 SER H 1 51 SER QB . . 2.920 2.332 2.084 2.700 . 0 0 "[ . 1 . 2]" 1
906 1 51 SER H 1 51 SER HB3 . . 3.670 3.137 2.581 3.560 . 0 0 "[ . 1 . 2]" 1
907 1 51 SER H 1 52 CYS H . . 3.540 2.863 2.610 3.003 . 0 0 "[ . 1 . 2]" 1
908 1 51 SER H 1 52 CYS QB . . 5.340 5.154 4.659 5.332 . 0 0 "[ . 1 . 2]" 1
909 1 51 SER QB 1 52 CYS H . . 3.350 2.821 2.103 3.348 . 0 0 "[ . 1 . 2]" 1
910 1 51 SER HB2 1 52 CYS H . . 4.090 3.324 2.326 3.900 . 0 0 "[ . 1 . 2]" 1
911 1 51 SER HB3 1 52 CYS H . . 4.090 3.394 2.118 4.092 0.002 10 0 "[ . 1 . 2]" 1
912 1 52 CYS H 1 52 CYS HB2 . . 3.700 2.831 2.404 3.536 . 0 0 "[ . 1 . 2]" 1
913 1 52 CYS H 1 52 CYS HB3 . . 3.700 3.433 2.348 3.615 . 0 0 "[ . 1 . 2]" 1
914 1 52 CYS H 1 53 LEU H . . 3.600 2.514 2.251 2.879 . 0 0 "[ . 1 . 2]" 1
915 1 52 CYS H 1 53 LEU HB3 . . 5.090 4.415 4.172 4.790 . 0 0 "[ . 1 . 2]" 1
916 1 52 CYS H 1 55 ALA MB . . 5.220 4.883 4.649 5.126 . 0 0 "[ . 1 . 2]" 1
917 1 52 CYS HA 1 55 ALA H . . 4.060 3.183 3.074 3.370 . 0 0 "[ . 1 . 2]" 1
918 1 52 CYS HA 1 55 ALA MB . . 3.400 2.592 2.316 2.769 . 0 0 "[ . 1 . 2]" 1
919 1 52 CYS HA 1 56 TRP H . . 5.360 4.868 4.725 5.195 . 0 0 "[ . 1 . 2]" 1
920 1 52 CYS HB2 1 53 LEU H . . 4.110 2.693 2.329 3.912 . 0 0 "[ . 1 . 2]" 1
921 1 52 CYS HB3 1 53 LEU H . . 4.110 3.818 2.540 4.118 0.008 18 0 "[ . 1 . 2]" 1
922 1 53 LEU H 1 53 LEU HB2 . . 3.430 2.534 2.280 2.757 . 0 0 "[ . 1 . 2]" 1
923 1 53 LEU H 1 53 LEU HB3 . . 3.290 2.362 2.173 2.622 . 0 0 "[ . 1 . 2]" 1
924 1 53 LEU H 1 53 LEU MD1 . . 4.240 3.949 3.669 4.211 . 0 0 "[ . 1 . 2]" 1
925 1 53 LEU H 1 53 LEU MD2 . . 4.240 4.095 4.024 4.155 . 0 0 "[ . 1 . 2]" 1
926 1 53 LEU H 1 53 LEU HG . . 4.640 4.495 4.307 4.549 . 0 0 "[ . 1 . 2]" 1
927 1 53 LEU H 1 54 THR H . . 3.660 2.905 2.587 3.044 . 0 0 "[ . 1 . 2]" 1
928 1 53 LEU HA 1 53 LEU QD . . 2.920 2.198 1.963 2.760 . 0 0 "[ . 1 . 2]" 1
929 1 53 LEU HA 1 56 TRP H . . 3.940 3.321 3.099 3.443 . 0 0 "[ . 1 . 2]" 1
930 1 53 LEU HA 1 56 TRP HB2 . . 4.410 3.847 3.654 4.159 . 0 0 "[ . 1 . 2]" 1
931 1 53 LEU HA 1 56 TRP HB3 . . 4.110 2.590 2.438 2.944 . 0 0 "[ . 1 . 2]" 1
932 1 53 LEU HA 1 65 PRO HG2 . . 4.700 4.243 3.856 4.701 0.001 1 0 "[ . 1 . 2]" 1
933 1 53 LEU HA 1 65 PRO HG3 . . 5.370 3.560 3.291 3.995 . 0 0 "[ . 1 . 2]" 1
934 1 53 LEU HB2 1 53 LEU MD1 . . 3.550 3.029 2.286 3.201 . 0 0 "[ . 1 . 2]" 1
935 1 53 LEU HB2 1 53 LEU QD . . 3.040 2.414 2.241 2.505 . 0 0 "[ . 1 . 2]" 1
936 1 53 LEU HB2 1 53 LEU MD2 . . 3.550 2.665 2.382 3.217 . 0 0 "[ . 1 . 2]" 1
937 1 53 LEU HB2 1 54 THR H . . 4.250 4.058 3.764 4.231 . 0 0 "[ . 1 . 2]" 1
938 1 53 LEU HB3 1 53 LEU MD1 . . 3.650 2.216 2.176 2.401 . 0 0 "[ . 1 . 2]" 1
939 1 53 LEU HB3 1 53 LEU MD2 . . 3.650 3.046 2.363 3.220 . 0 0 "[ . 1 . 2]" 1
940 1 53 LEU HB3 1 54 THR H . . 3.600 2.770 2.407 3.010 . 0 0 "[ . 1 . 2]" 1
941 1 53 LEU QD 1 54 THR H . . 4.000 2.732 2.342 3.026 . 0 0 "[ . 1 . 2]" 1
942 1 53 LEU QD 1 54 THR HA . . 4.550 2.464 2.232 2.719 . 0 0 "[ . 1 . 2]" 1
943 1 53 LEU QD 1 54 THR HB . . 5.180 4.097 3.443 4.578 . 0 0 "[ . 1 . 2]" 1
944 1 53 LEU QD 1 56 TRP H . . 5.440 3.468 3.316 3.601 . 0 0 "[ . 1 . 2]" 1
945 1 53 LEU QD 1 56 TRP HB2 . . 4.290 3.946 3.760 4.328 0.038 17 0 "[ . 1 . 2]" 1
946 1 53 LEU QD 1 56 TRP HB3 . . 3.730 2.571 2.363 2.863 . 0 0 "[ . 1 . 2]" 1
947 1 53 LEU QD 1 56 TRP HD1 . . 3.630 1.981 1.813 2.148 . 0 0 "[ . 1 . 2]" 1
948 1 53 LEU QD 1 56 TRP HE1 . . 4.040 3.752 3.469 4.042 0.002 13 0 "[ . 1 . 2]" 1
949 1 53 LEU QD 1 57 GLN H . . 4.260 2.644 2.505 2.767 . 0 0 "[ . 1 . 2]" 1
950 1 53 LEU QD 1 57 GLN HA . . 4.750 3.996 3.883 4.232 . 0 0 "[ . 1 . 2]" 1
951 1 53 LEU QD 1 57 GLN QE . . 3.310 2.268 1.866 2.934 . 0 0 "[ . 1 . 2]" 1
952 1 53 LEU QD 1 57 GLN HG2 . . 4.300 2.090 1.882 2.314 . 0 0 "[ . 1 . 2]" 1
953 1 53 LEU QD 1 57 GLN HG3 . . 3.630 1.802 1.695 2.077 . 0 0 "[ . 1 . 2]" 1
954 1 53 LEU QD 1 64 CYS HA . . 4.500 4.013 3.796 4.259 . 0 0 "[ . 1 . 2]" 1
955 1 53 LEU QD 1 65 PRO HD2 . . 4.430 3.729 3.357 4.198 . 0 0 "[ . 1 . 2]" 1
956 1 53 LEU QD 1 65 PRO HD3 . . 3.520 2.935 2.599 3.530 0.010 2 0 "[ . 1 . 2]" 1
957 1 53 LEU MD1 1 54 THR H . . 4.640 3.036 2.359 4.465 . 0 0 "[ . 1 . 2]" 1
958 1 53 LEU MD1 1 57 GLN HE21 . . 4.830 3.806 3.451 4.241 . 0 0 "[ . 1 . 2]" 1
959 1 53 LEU MD1 1 57 GLN HE22 . . 4.830 4.742 4.433 4.837 0.007 1 0 "[ . 1 . 2]" 1
960 1 53 LEU MD2 1 54 THR H . . 4.640 3.921 2.946 4.316 . 0 0 "[ . 1 . 2]" 1
961 1 53 LEU MD2 1 57 GLN HE21 . . 4.830 2.320 1.888 3.087 . 0 0 "[ . 1 . 2]" 1
962 1 53 LEU MD2 1 57 GLN HE22 . . 4.830 3.699 3.235 4.273 . 0 0 "[ . 1 . 2]" 1
963 1 53 LEU HG 1 54 THR H . . 4.880 4.801 4.481 4.920 0.040 13 0 "[ . 1 . 2]" 1
964 1 53 LEU HG 1 54 THR HA . . 5.500 5.392 5.198 5.531 0.031 12 0 "[ . 1 . 2]" 1
965 1 53 LEU HG 1 57 GLN H . . 5.500 5.383 4.917 5.503 0.003 14 0 "[ . 1 . 2]" 1
966 1 54 THR H 1 54 THR HB . . 3.320 2.307 1.996 2.582 . 0 0 "[ . 1 . 2]" 1
967 1 54 THR H 1 54 THR MG . . 3.760 3.607 2.977 3.676 . 0 0 "[ . 1 . 2]" 1
968 1 54 THR H 1 55 ALA H . . 3.480 2.769 2.700 2.894 . 0 0 "[ . 1 . 2]" 1
969 1 54 THR H 1 55 ALA MB . . 4.450 4.286 4.196 4.404 . 0 0 "[ . 1 . 2]" 1
970 1 54 THR HA 1 54 THR MG . . 3.060 2.525 2.283 3.071 0.011 19 0 "[ . 1 . 2]" 1
971 1 54 THR HA 1 56 TRP H . . 4.230 3.782 3.672 4.235 0.005 2 0 "[ . 1 . 2]" 1
972 1 54 THR HA 1 57 GLN H . . 3.450 3.286 3.097 3.406 . 0 0 "[ . 1 . 2]" 1
973 1 54 THR HA 1 57 GLN HB2 . . 3.940 2.611 2.406 2.790 . 0 0 "[ . 1 . 2]" 1
974 1 54 THR HA 1 57 GLN HB3 . . 4.530 4.316 4.062 4.525 . 0 0 "[ . 1 . 2]" 1
975 1 54 THR HB 1 55 ALA H . . 3.330 2.814 2.512 3.349 0.019 19 0 "[ . 1 . 2]" 1
976 1 54 THR MG 1 55 ALA H . . 3.930 3.419 1.907 3.864 . 0 0 "[ . 1 . 2]" 1
977 1 54 THR MG 1 58 GLU H . . 4.910 4.163 3.993 4.349 . 0 0 "[ . 1 . 2]" 1
978 1 54 THR MG 1 58 GLU QB . . 4.770 4.498 3.726 4.771 0.001 17 0 "[ . 1 . 2]" 1
979 1 54 THR MG 1 58 GLU HG2 . . 4.340 3.095 2.421 4.074 . 0 0 "[ . 1 . 2]" 1
980 1 54 THR MG 1 58 GLU QG . . 3.530 2.749 2.136 2.994 . 0 0 "[ . 1 . 2]" 1
981 1 54 THR MG 1 58 GLU HG3 . . 4.340 3.549 2.322 4.265 . 0 0 "[ . 1 . 2]" 1
982 1 55 ALA H 1 55 ALA MB . . 2.820 2.000 1.932 2.119 . 0 0 "[ . 1 . 2]" 1
983 1 55 ALA H 1 56 TRP H . . 2.870 2.645 2.517 2.747 . 0 0 "[ . 1 . 2]" 1
984 1 55 ALA HA 1 58 GLU H . . 4.320 3.634 3.238 3.735 . 0 0 "[ . 1 . 2]" 1
985 1 55 ALA HA 1 58 GLU QB . . 3.420 2.999 2.169 3.430 0.010 13 0 "[ . 1 . 2]" 1
986 1 55 ALA MB 1 56 TRP H . . 3.540 2.978 2.709 3.093 . 0 0 "[ . 1 . 2]" 1
987 1 55 ALA MB 1 57 GLN H . . 5.340 5.027 4.643 5.169 . 0 0 "[ . 1 . 2]" 1
988 1 56 TRP H 1 56 TRP HB2 . . 3.330 3.029 2.965 3.071 . 0 0 "[ . 1 . 2]" 1
989 1 56 TRP H 1 56 TRP HB3 . . 3.310 2.147 2.073 2.191 . 0 0 "[ . 1 . 2]" 1
990 1 56 TRP H 1 57 GLN H . . 3.590 2.553 2.460 2.648 . 0 0 "[ . 1 . 2]" 1
991 1 56 TRP H 1 57 GLN HA . . 5.420 5.045 4.992 5.167 . 0 0 "[ . 1 . 2]" 1
992 1 56 TRP H 1 57 GLN HB2 . . 4.830 4.539 4.390 4.758 . 0 0 "[ . 1 . 2]" 1
993 1 56 TRP H 1 65 PRO HG3 . . 5.500 5.214 4.833 5.451 . 0 0 "[ . 1 . 2]" 1
994 1 56 TRP HA 1 56 TRP HE3 . . 3.760 2.634 2.526 2.809 . 0 0 "[ . 1 . 2]" 1
995 1 56 TRP HB2 1 57 GLN H . . 4.040 3.926 3.843 4.128 0.088 2 0 "[ . 1 . 2]" 1
996 1 56 TRP HB2 1 65 PRO HB3 . . 4.850 3.406 2.964 3.656 . 0 0 "[ . 1 . 2]" 1
997 1 56 TRP HB3 1 56 TRP HD1 . . 3.790 2.631 2.617 2.652 . 0 0 "[ . 1 . 2]" 1
998 1 56 TRP HB3 1 56 TRP HE1 . . 5.040 4.918 4.913 4.925 . 0 0 "[ . 1 . 2]" 1
999 1 56 TRP HB3 1 57 GLN H . . 3.470 2.579 2.436 2.884 . 0 0 "[ . 1 . 2]" 1
1000 1 56 TRP HB3 1 65 PRO HB3 . . 4.730 4.079 3.557 4.381 . 0 0 "[ . 1 . 2]" 1
1001 1 56 TRP HB3 1 65 PRO HG3 . . 4.180 3.121 2.788 3.361 . 0 0 "[ . 1 . 2]" 1
1002 1 56 TRP HD1 1 57 GLN HG2 . . 4.470 2.034 1.984 2.436 . 0 0 "[ . 1 . 2]" 1
1003 1 56 TRP HD1 1 57 GLN HG3 . . 4.080 3.406 3.073 3.823 . 0 0 "[ . 1 . 2]" 1
1004 1 56 TRP HD1 1 65 PRO HB3 . . 4.390 3.828 3.460 4.183 . 0 0 "[ . 1 . 2]" 1
1005 1 56 TRP HE1 1 57 GLN HE21 . . 4.070 2.964 2.242 3.427 . 0 0 "[ . 1 . 2]" 1
1006 1 56 TRP HE1 1 57 GLN QE . . 3.530 2.840 2.170 3.251 . 0 0 "[ . 1 . 2]" 1
1007 1 56 TRP HE1 1 57 GLN HE22 . . 4.070 3.713 2.898 4.079 0.009 8 0 "[ . 1 . 2]" 1
1008 1 56 TRP HE1 1 61 GLY HA2 . . 5.120 2.814 2.449 3.353 . 0 0 "[ . 1 . 2]" 1
1009 1 56 TRP HE1 1 62 GLN H . . 4.460 2.869 2.634 3.091 . 0 0 "[ . 1 . 2]" 1
1010 1 56 TRP HE1 1 62 GLN HA . . 4.650 4.594 4.365 4.657 0.007 2 0 "[ . 1 . 2]" 1
1011 1 56 TRP HE1 1 63 GLY QA . . 5.010 4.015 3.823 4.182 . 0 0 "[ . 1 . 2]" 1
1012 1 56 TRP HE1 1 64 CYS HA . . 4.850 4.347 4.093 4.728 . 0 0 "[ . 1 . 2]" 1
1013 1 56 TRP HE1 1 65 PRO HA . . 4.430 4.258 4.017 4.432 0.002 20 0 "[ . 1 . 2]" 1
1014 1 56 TRP HE1 1 65 PRO HB2 . . 5.500 5.417 5.195 5.503 0.003 19 0 "[ . 1 . 2]" 1
1015 1 56 TRP HE1 1 65 PRO HB3 . . 4.880 3.807 3.586 3.910 . 0 0 "[ . 1 . 2]" 1
1016 1 56 TRP HE1 1 65 PRO HD2 . . 5.440 5.109 4.937 5.323 . 0 0 "[ . 1 . 2]" 1
1017 1 56 TRP HE1 1 65 PRO HD3 . . 5.250 3.475 3.273 3.681 . 0 0 "[ . 1 . 2]" 1
1018 1 56 TRP HE1 1 65 PRO HG3 . . 4.310 3.953 3.735 4.235 . 0 0 "[ . 1 . 2]" 1
1019 1 56 TRP HE1 1 68 ARG QD . . 5.070 4.834 4.497 5.068 . 0 0 "[ . 1 . 2]" 1
1020 1 56 TRP HH2 1 65 PRO HA . . 5.500 4.578 4.144 4.909 . 0 0 "[ . 1 . 2]" 1
1021 1 56 TRP HZ2 1 61 GLY HA2 . . 4.960 4.521 4.424 4.610 . 0 0 "[ . 1 . 2]" 1
1022 1 56 TRP HZ2 1 61 GLY HA3 . . 5.500 5.495 5.421 5.513 0.013 5 0 "[ . 1 . 2]" 1
1023 1 56 TRP HZ2 1 62 GLN H . . 4.050 2.073 1.965 2.187 . 0 0 "[ . 1 . 2]" 1
1024 1 56 TRP HZ2 1 65 PRO HA . . 4.640 3.813 3.591 3.972 . 0 0 "[ . 1 . 2]" 1
1025 1 56 TRP HZ2 1 68 ARG HD2 . . 4.870 2.909 2.535 3.488 . 0 0 "[ . 1 . 2]" 1
1026 1 56 TRP HZ2 1 68 ARG QD . . 4.130 2.729 2.410 3.302 . 0 0 "[ . 1 . 2]" 1
1027 1 56 TRP HZ2 1 68 ARG HD3 . . 4.870 3.626 2.521 4.426 . 0 0 "[ . 1 . 2]" 1
1028 1 56 TRP HZ3 1 65 PRO HA . . 5.500 5.269 4.936 5.483 . 0 0 "[ . 1 . 2]" 1
1029 1 57 GLN H 1 57 GLN HB2 . . 3.250 2.489 2.362 2.612 . 0 0 "[ . 1 . 2]" 1
1030 1 57 GLN H 1 57 GLN HG2 . . 3.470 2.189 1.951 2.603 . 0 0 "[ . 1 . 2]" 1
1031 1 57 GLN H 1 57 GLN HG3 . . 3.300 3.017 2.866 3.191 . 0 0 "[ . 1 . 2]" 1
1032 1 57 GLN HA 1 57 GLN HG2 . . 3.360 2.541 2.334 2.709 . 0 0 "[ . 1 . 2]" 1
1033 1 57 GLN HA 1 57 GLN HG3 . . 3.810 3.714 3.602 3.803 . 0 0 "[ . 1 . 2]" 1
1034 1 57 GLN HA 1 60 ASP H . . 5.010 3.586 2.969 3.766 . 0 0 "[ . 1 . 2]" 1
1035 1 57 GLN HA 1 61 GLY H . . 3.750 2.234 2.117 2.858 . 0 0 "[ . 1 . 2]" 1
1036 1 57 GLN HA 1 61 GLY HA3 . . 4.680 2.454 2.254 2.811 . 0 0 "[ . 1 . 2]" 1
1037 1 57 GLN HB2 1 57 GLN QE . . 4.450 4.379 4.344 4.393 . 0 0 "[ . 1 . 2]" 1
1038 1 57 GLN HB2 1 57 GLN HG2 . . 2.770 2.765 2.677 2.840 0.070 1 0 "[ . 1 . 2]" 1
1039 1 57 GLN HB2 1 57 GLN HG3 . . 3.000 2.284 2.266 2.322 . 0 0 "[ . 1 . 2]" 1
1040 1 57 GLN HB2 1 58 GLU H . . 3.590 3.304 2.845 3.451 . 0 0 "[ . 1 . 2]" 1
1041 1 57 GLN QE 1 71 ILE MD . . 3.740 3.065 2.560 3.544 . 0 0 "[ . 1 . 2]" 1
1042 1 57 GLN HE21 1 71 ILE MD . . 4.260 3.416 3.102 3.879 . 0 0 "[ . 1 . 2]" 1
1043 1 57 GLN HE22 1 57 GLN HG2 . . 4.110 3.526 3.463 3.607 . 0 0 "[ . 1 . 2]" 1
1044 1 57 GLN HE22 1 71 ILE MD . . 4.260 3.528 2.727 4.097 . 0 0 "[ . 1 . 2]" 1
1045 1 57 GLN HG2 1 61 GLY H . . 4.410 3.803 3.505 4.421 0.011 2 0 "[ . 1 . 2]" 1
1046 1 58 GLU H 1 58 GLU QB . . 3.060 2.189 2.118 2.285 . 0 0 "[ . 1 . 2]" 1
1047 1 58 GLU H 1 58 GLU HG2 . . 3.810 3.139 2.583 3.833 0.023 17 0 "[ . 1 . 2]" 1
1048 1 58 GLU H 1 58 GLU QG . . 3.290 2.754 2.516 2.958 . 0 0 "[ . 1 . 2]" 1
1049 1 58 GLU H 1 58 GLU HG3 . . 3.810 3.420 2.591 3.809 . 0 0 "[ . 1 . 2]" 1
1050 1 58 GLU H 1 59 SER H . . 3.350 3.156 2.344 3.237 . 0 0 "[ . 1 . 2]" 1
1051 1 58 GLU H 1 60 ASP H . . 4.700 3.940 3.705 4.014 . 0 0 "[ . 1 . 2]" 1
1052 1 58 GLU HA 1 58 GLU HG2 . . 3.960 2.316 2.189 2.480 . 0 0 "[ . 1 . 2]" 1
1053 1 58 GLU HA 1 58 GLU QG . . 3.260 2.258 2.129 2.403 . 0 0 "[ . 1 . 2]" 1
1054 1 58 GLU HA 1 58 GLU HG3 . . 3.960 3.306 2.527 3.603 . 0 0 "[ . 1 . 2]" 1
1055 1 58 GLU HA 1 60 ASP H . . 5.210 4.898 4.205 4.996 . 0 0 "[ . 1 . 2]" 1
1056 1 58 GLU QB 1 59 SER H . . 3.580 2.470 2.336 3.431 . 0 0 "[ . 1 . 2]" 1
1057 1 58 GLU QG 1 59 SER H . . 4.740 4.293 4.196 4.547 . 0 0 "[ . 1 . 2]" 1
1058 1 59 SER H 1 59 SER HB2 . . 3.630 2.821 2.423 3.674 0.044 11 0 "[ . 1 . 2]" 1
1059 1 59 SER H 1 59 SER QB . . 3.070 2.472 2.376 3.080 0.010 11 0 "[ . 1 . 2]" 1
1060 1 59 SER H 1 59 SER HB3 . . 3.630 3.003 2.475 3.588 . 0 0 "[ . 1 . 2]" 1
1061 1 59 SER H 1 60 ASP H . . 3.390 1.785 1.750 1.898 . 0 0 "[ . 1 . 2]" 1
1062 1 59 SER H 1 60 ASP QB . . 4.810 3.695 3.524 4.077 . 0 0 "[ . 1 . 2]" 1
1063 1 59 SER HB2 1 60 ASP H . . 4.270 3.770 3.186 4.250 . 0 0 "[ . 1 . 2]" 1
1064 1 59 SER HB3 1 60 ASP H . . 4.270 3.376 3.070 4.300 0.030 11 0 "[ . 1 . 2]" 1
1065 1 60 ASP H 1 60 ASP HA . . 2.860 2.846 2.841 2.866 0.006 1 0 "[ . 1 . 2]" 1
1066 1 60 ASP H 1 60 ASP HB2 . . 4.030 2.301 2.097 3.515 . 0 0 "[ . 1 . 2]" 1
1067 1 60 ASP H 1 60 ASP HB3 . . 4.030 3.447 2.774 3.538 . 0 0 "[ . 1 . 2]" 1
1068 1 60 ASP H 1 61 GLY H . . 3.530 3.153 2.742 3.210 . 0 0 "[ . 1 . 2]" 1
1069 1 60 ASP H 1 61 GLY HA3 . . 5.080 4.743 4.136 4.823 . 0 0 "[ . 1 . 2]" 1
1070 1 61 GLY HA2 1 62 GLN H . . 3.120 3.033 2.992 3.130 0.010 20 0 "[ . 1 . 2]" 1
1071 1 62 GLN H 1 62 GLN HB2 . . 3.430 2.295 2.118 2.986 . 0 0 "[ . 1 . 2]" 1
1072 1 62 GLN H 1 62 GLN QB . . 2.980 2.188 2.097 2.277 . 0 0 "[ . 1 . 2]" 1
1073 1 62 GLN H 1 62 GLN HB3 . . 3.430 3.090 2.258 3.422 . 0 0 "[ . 1 . 2]" 1
1074 1 62 GLN H 1 62 GLN QG . . 4.100 3.587 3.174 4.092 . 0 0 "[ . 1 . 2]" 1
1075 1 62 GLN HA 1 62 GLN QG . . 3.820 2.297 2.064 2.593 . 0 0 "[ . 1 . 2]" 1
1076 1 62 GLN HA 1 63 GLY H . . 2.840 2.514 2.382 2.658 . 0 0 "[ . 1 . 2]" 1
1077 1 62 GLN HA 1 63 GLY QA . . 4.330 3.954 3.936 3.985 . 0 0 "[ . 1 . 2]" 1
1078 1 62 GLN QB 1 63 GLY H . . 4.230 4.033 3.971 4.124 . 0 0 "[ . 1 . 2]" 1
1079 1 62 GLN HB2 1 63 GLY H . . 4.940 4.673 4.564 4.737 . 0 0 "[ . 1 . 2]" 1
1080 1 62 GLN HB3 1 63 GLY H . . 4.940 4.411 4.289 4.649 . 0 0 "[ . 1 . 2]" 1
1081 1 62 GLN QG 1 63 GLY H . . 4.570 4.323 3.677 4.565 . 0 0 "[ . 1 . 2]" 1
1082 1 63 GLY H 1 71 ILE H . . 5.110 4.958 4.596 5.111 0.001 9 0 "[ . 1 . 2]" 1
1083 1 63 GLY H 1 71 ILE MD . . 4.630 4.425 4.188 4.634 0.004 19 0 "[ . 1 . 2]" 1
1084 1 63 GLY H 1 71 ILE HG13 . . 4.660 4.342 3.937 4.540 . 0 0 "[ . 1 . 2]" 1
1085 1 63 GLY QA 1 64 CYS H . . 3.010 2.295 2.269 2.318 . 0 0 "[ . 1 . 2]" 1
1086 1 63 GLY QA 1 64 CYS QB . . 4.610 3.889 3.882 3.893 . 0 0 "[ . 1 . 2]" 1
1087 1 63 GLY QA 1 70 GLU HA . . 4.290 2.001 1.934 2.199 . 0 0 "[ . 1 . 2]" 1
1088 1 63 GLY QA 1 71 ILE H . . 4.140 2.927 2.734 3.100 . 0 0 "[ . 1 . 2]" 1
1089 1 63 GLY QA 1 71 ILE MD . . 4.200 2.924 2.648 3.156 . 0 0 "[ . 1 . 2]" 1
1090 1 63 GLY QA 1 71 ILE HG12 . . 3.810 3.191 2.551 3.366 . 0 0 "[ . 1 . 2]" 1
1091 1 63 GLY QA 1 71 ILE HG13 . . 4.310 2.132 1.959 2.316 . 0 0 "[ . 1 . 2]" 1
1092 1 63 GLY HA2 1 64 CYS H . . 3.510 2.834 2.755 2.914 . 0 0 "[ . 1 . 2]" 1
1093 1 63 GLY HA2 1 71 ILE HG12 . . 4.480 3.408 2.635 3.605 . 0 0 "[ . 1 . 2]" 1
1094 1 63 GLY HA2 1 71 ILE HG13 . . 5.020 2.166 1.998 2.353 . 0 0 "[ . 1 . 2]" 1
1095 1 63 GLY HA3 1 64 CYS H . . 3.510 2.428 2.367 2.494 . 0 0 "[ . 1 . 2]" 1
1096 1 63 GLY HA3 1 71 ILE HG12 . . 4.480 3.860 3.404 4.052 . 0 0 "[ . 1 . 2]" 1
1097 1 63 GLY HA3 1 71 ILE HG13 . . 5.020 3.211 2.742 3.505 . 0 0 "[ . 1 . 2]" 1
1098 1 64 CYS H 1 64 CYS HB2 . . 3.410 2.211 2.126 2.277 . 0 0 "[ . 1 . 2]" 1
1099 1 64 CYS H 1 64 CYS HB3 . . 3.410 2.773 2.695 2.897 . 0 0 "[ . 1 . 2]" 1
1100 1 64 CYS H 1 65 PRO HD2 . . 5.500 5.002 4.980 5.025 . 0 0 "[ . 1 . 2]" 1
1101 1 64 CYS H 1 65 PRO HD3 . . 4.520 4.455 4.371 4.539 0.019 18 0 "[ . 1 . 2]" 1
1102 1 64 CYS H 1 68 ARG H . . 5.290 5.148 4.966 5.281 . 0 0 "[ . 1 . 2]" 1
1103 1 64 CYS H 1 69 CYS H . . 4.210 3.370 3.069 3.565 . 0 0 "[ . 1 . 2]" 1
1104 1 64 CYS H 1 71 ILE HG12 . . 4.130 2.101 1.965 2.261 . 0 0 "[ . 1 . 2]" 1
1105 1 64 CYS H 1 71 ILE MG . . 4.280 4.198 4.073 4.285 0.005 15 0 "[ . 1 . 2]" 1
1106 1 64 CYS HA 1 65 PRO HD2 . . 3.390 2.369 2.315 2.431 . 0 0 "[ . 1 . 2]" 1
1107 1 64 CYS HA 1 65 PRO HD3 . . 3.210 1.960 1.944 1.982 . 0 0 "[ . 1 . 2]" 1
1108 1 64 CYS HA 1 65 PRO HG3 . . 5.500 4.221 4.214 4.233 . 0 0 "[ . 1 . 2]" 1
1109 1 64 CYS HA 1 71 ILE MD . . 3.710 2.495 2.161 3.070 . 0 0 "[ . 1 . 2]" 1
1110 1 64 CYS QB 1 67 CYS H . . 3.550 2.399 2.295 2.541 . 0 0 "[ . 1 . 2]" 1
1111 1 64 CYS QB 1 68 ARG H . . 3.680 3.646 3.576 3.689 0.009 15 0 "[ . 1 . 2]" 1
1112 1 64 CYS QB 1 69 CYS H . . 3.350 2.853 2.605 3.075 . 0 0 "[ . 1 . 2]" 1
1113 1 64 CYS QB 1 71 ILE MD . . 4.740 2.880 2.321 3.429 . 0 0 "[ . 1 . 2]" 1
1114 1 64 CYS QB 1 71 ILE HG12 . . 4.620 2.163 1.988 3.019 . 0 0 "[ . 1 . 2]" 1
1115 1 64 CYS QB 1 71 ILE MG . . 3.970 3.313 2.975 3.790 . 0 0 "[ . 1 . 2]" 1
1116 1 65 PRO HD2 1 66 PHE H . . 4.310 2.699 2.624 2.723 . 0 0 "[ . 1 . 2]" 1
1117 1 65 PRO HD2 1 71 ILE MD . . 4.710 4.011 3.685 4.545 . 0 0 "[ . 1 . 2]" 1
1118 1 65 PRO HD3 1 66 PHE H . . 4.660 3.823 3.788 3.835 . 0 0 "[ . 1 . 2]" 1
1119 1 65 PRO HD3 1 71 ILE MD . . 4.350 3.432 3.146 3.807 . 0 0 "[ . 1 . 2]" 1
1120 1 65 PRO HG2 1 66 PHE H . . 4.740 3.844 3.753 3.874 . 0 0 "[ . 1 . 2]" 1
1121 1 65 PRO HG3 1 66 PHE H . . 4.960 4.746 4.683 4.766 . 0 0 "[ . 1 . 2]" 1
1122 1 66 PHE H 1 66 PHE HB2 . . 4.010 2.069 2.011 2.113 . 0 0 "[ . 1 . 2]" 1
1123 1 66 PHE H 1 66 PHE QB . . 3.310 2.051 1.995 2.094 . 0 0 "[ . 1 . 2]" 1
1124 1 66 PHE H 1 66 PHE HB3 . . 4.010 3.380 3.327 3.422 . 0 0 "[ . 1 . 2]" 1
1125 1 66 PHE H 1 66 PHE QD . . 4.510 2.783 2.376 3.452 . 0 0 "[ . 1 . 2]" 1
1126 1 66 PHE H 1 67 CYS H . . 3.220 2.267 2.197 2.410 . 0 0 "[ . 1 . 2]" 1
1127 1 66 PHE HA 1 66 PHE QD . . 4.130 2.642 2.177 3.119 . 0 0 "[ . 1 . 2]" 1
1128 1 66 PHE QB 1 67 CYS H . . 3.440 2.550 2.258 2.648 . 0 0 "[ . 1 . 2]" 1
1129 1 66 PHE HB2 1 67 CYS H . . 4.060 2.664 2.333 2.774 . 0 0 "[ . 1 . 2]" 1
1130 1 66 PHE HB3 1 67 CYS H . . 4.060 3.266 2.894 3.438 . 0 0 "[ . 1 . 2]" 1
1131 1 67 CYS H 1 67 CYS HB2 . . 4.030 3.534 3.398 3.629 . 0 0 "[ . 1 . 2]" 1
1132 1 67 CYS H 1 67 CYS HB3 . . 4.030 3.445 3.102 3.543 . 0 0 "[ . 1 . 2]" 1
1133 1 67 CYS H 1 68 ARG H . . 3.190 2.179 2.026 2.446 . 0 0 "[ . 1 . 2]" 1
1134 1 67 CYS H 1 68 ARG HA . . 4.430 4.058 3.895 4.328 . 0 0 "[ . 1 . 2]" 1
1135 1 67 CYS H 1 69 CYS H . . 4.680 3.277 3.062 3.468 . 0 0 "[ . 1 . 2]" 1
1136 1 68 ARG H 1 68 ARG QB . . 3.630 2.896 2.741 3.195 . 0 0 "[ . 1 . 2]" 1
1137 1 68 ARG H 1 68 ARG QD . . 4.240 3.496 2.842 4.021 . 0 0 "[ . 1 . 2]" 1
1138 1 68 ARG H 1 68 ARG HG2 . . 5.180 4.071 2.400 5.080 . 0 0 "[ . 1 . 2]" 1
1139 1 68 ARG H 1 68 ARG QG . . 4.420 3.608 2.380 4.368 . 0 0 "[ . 1 . 2]" 1
1140 1 68 ARG H 1 68 ARG HG3 . . 5.180 4.437 3.916 4.831 . 0 0 "[ . 1 . 2]" 1
1141 1 68 ARG H 1 69 CYS H . . 3.800 2.964 2.940 3.066 . 0 0 "[ . 1 . 2]" 1
1142 1 68 ARG HA 1 68 ARG HD2 . . 4.010 2.606 1.998 3.556 . 0 0 "[ . 1 . 2]" 1
1143 1 68 ARG HA 1 68 ARG QD . . 3.450 2.098 1.935 2.555 . 0 0 "[ . 1 . 2]" 1
1144 1 68 ARG HA 1 68 ARG HD3 . . 4.010 2.727 2.010 3.844 . 0 0 "[ . 1 . 2]" 1
1145 1 68 ARG HA 1 68 ARG HG2 . . 4.290 3.310 2.592 3.709 . 0 0 "[ . 1 . 2]" 1
1146 1 68 ARG HA 1 68 ARG HG3 . . 4.290 3.141 2.505 3.730 . 0 0 "[ . 1 . 2]" 1
1147 1 68 ARG HA 1 69 CYS H . . 3.530 2.919 2.724 2.970 . 0 0 "[ . 1 . 2]" 1
1148 1 68 ARG QB 1 69 CYS H . . 4.330 3.878 3.832 4.007 . 0 0 "[ . 1 . 2]" 1
1149 1 68 ARG HB2 1 69 CYS H . . 4.930 4.458 4.198 4.688 . 0 0 "[ . 1 . 2]" 1
1150 1 68 ARG HB3 1 69 CYS H . . 4.930 4.292 4.150 4.489 . 0 0 "[ . 1 . 2]" 1
1151 1 69 CYS H 1 69 CYS HB2 . . 3.530 2.808 2.389 3.340 . 0 0 "[ . 1 . 2]" 1
1152 1 69 CYS H 1 69 CYS QB . . 3.050 2.484 2.352 2.630 . 0 0 "[ . 1 . 2]" 1
1153 1 69 CYS H 1 69 CYS HB3 . . 3.530 3.043 2.550 3.532 0.002 19 0 "[ . 1 . 2]" 1
1154 1 69 CYS H 1 71 ILE HG12 . . 5.280 5.151 4.968 5.282 0.002 10 0 "[ . 1 . 2]" 1
1155 1 69 CYS HA 1 70 GLU H . . 2.940 2.378 2.288 2.515 . 0 0 "[ . 1 . 2]" 1
1156 1 69 CYS QB 1 70 GLU H . . 3.690 3.232 2.539 3.692 0.002 5 0 "[ . 1 . 2]" 1
1157 1 69 CYS HB2 1 70 GLU H . . 4.270 4.120 3.957 4.267 . 0 0 "[ . 1 . 2]" 1
1158 1 69 CYS HB3 1 70 GLU H . . 4.270 3.455 2.569 4.110 . 0 0 "[ . 1 . 2]" 1
1159 1 70 GLU H 1 70 GLU HB2 . . 3.080 2.394 2.127 2.731 . 0 0 "[ . 1 . 2]" 1
1160 1 70 GLU H 1 70 GLU QB . . 2.690 2.169 2.077 2.209 . 0 0 "[ . 1 . 2]" 1
1161 1 70 GLU H 1 70 GLU HB3 . . 3.080 2.580 2.244 2.911 . 0 0 "[ . 1 . 2]" 1
1162 1 70 GLU H 1 70 GLU QG . . 4.230 3.933 3.849 4.044 . 0 0 "[ . 1 . 2]" 1
1163 1 70 GLU H 1 71 ILE H . . 4.910 4.669 4.657 4.675 . 0 0 "[ . 1 . 2]" 1
1164 1 70 GLU HA 1 70 GLU HG2 . . 4.100 3.358 2.914 3.818 . 0 0 "[ . 1 . 2]" 1
1165 1 70 GLU HA 1 70 GLU QG . . 3.520 2.532 2.183 2.976 . 0 0 "[ . 1 . 2]" 1
1166 1 70 GLU HA 1 70 GLU HG3 . . 4.100 2.627 2.223 3.138 . 0 0 "[ . 1 . 2]" 1
1167 1 70 GLU HA 1 71 ILE H . . 2.890 2.396 2.322 2.449 . 0 0 "[ . 1 . 2]" 1
1168 1 70 GLU HA 1 71 ILE MG . . 5.500 5.319 5.301 5.366 . 0 0 "[ . 1 . 2]" 1
1169 1 70 GLU QB 1 71 ILE H . . 3.610 3.448 3.264 3.607 . 0 0 "[ . 1 . 2]" 1
1170 1 70 GLU HB2 1 71 ILE H . . 4.180 4.002 3.779 4.184 0.004 9 0 "[ . 1 . 2]" 1
1171 1 70 GLU HB3 1 71 ILE H . . 4.180 3.796 3.405 4.145 . 0 0 "[ . 1 . 2]" 1
1172 1 70 GLU QG 1 71 ILE H . . 3.710 2.072 1.869 2.400 . 0 0 "[ . 1 . 2]" 1
1173 1 70 GLU HG2 1 71 ILE H . . 4.330 2.815 2.006 3.927 . 0 0 "[ . 1 . 2]" 1
1174 1 70 GLU HG3 1 71 ILE H . . 4.330 2.287 1.954 2.797 . 0 0 "[ . 1 . 2]" 1
1175 1 71 ILE H 1 71 ILE HB . . 3.260 2.748 2.680 2.803 . 0 0 "[ . 1 . 2]" 1
1176 1 71 ILE H 1 71 ILE MD . . 3.950 3.707 3.588 3.849 . 0 0 "[ . 1 . 2]" 1
1177 1 71 ILE H 1 71 ILE HG12 . . 3.640 3.211 2.752 3.580 . 0 0 "[ . 1 . 2]" 1
1178 1 71 ILE H 1 71 ILE HG13 . . 4.290 2.107 1.949 2.347 . 0 0 "[ . 1 . 2]" 1
1179 1 71 ILE H 1 71 ILE MG . . 3.870 3.827 3.765 3.871 0.001 20 0 "[ . 1 . 2]" 1
1180 1 71 ILE HA 1 71 ILE MD . . 4.160 3.895 3.727 3.934 . 0 0 "[ . 1 . 2]" 1
1181 1 71 ILE HA 1 71 ILE HG12 . . 4.040 2.767 2.654 2.814 . 0 0 "[ . 1 . 2]" 1
1182 1 71 ILE HA 1 71 ILE HG13 . . 3.990 3.332 3.184 3.520 . 0 0 "[ . 1 . 2]" 1
1183 1 71 ILE HA 1 71 ILE MG . . 3.200 2.201 2.145 2.271 . 0 0 "[ . 1 . 2]" 1
1184 1 71 ILE HA 1 72 LYS H . . 3.030 2.352 2.231 2.399 . 0 0 "[ . 1 . 2]" 1
1185 1 71 ILE HA 1 72 LYS QG . . 4.770 3.068 2.938 3.196 . 0 0 "[ . 1 . 2]" 1
1186 1 71 ILE HA 1 73 GLY H . . 4.230 4.199 4.090 4.245 0.015 15 0 "[ . 1 . 2]" 1
1187 1 71 ILE HB 1 71 ILE MD . . 3.170 2.300 2.238 2.499 . 0 0 "[ . 1 . 2]" 1
1188 1 71 ILE HB 1 72 LYS H . . 4.120 3.617 3.498 3.910 . 0 0 "[ . 1 . 2]" 1
1189 1 71 ILE MD 1 74 THR MG . . 3.110 2.283 1.946 2.774 . 0 0 "[ . 1 . 2]" 1
1190 1 71 ILE HG12 1 71 ILE MG . . 3.270 2.498 2.436 2.606 . 0 0 "[ . 1 . 2]" 1
1191 1 71 ILE HG12 1 72 LYS H . . 4.930 4.721 4.586 4.824 . 0 0 "[ . 1 . 2]" 1
1192 1 71 ILE MG 1 72 LYS H . . 3.770 2.176 1.958 2.459 . 0 0 "[ . 1 . 2]" 1
1193 1 71 ILE MG 1 72 LYS HA . . 4.580 4.094 3.889 4.220 . 0 0 "[ . 1 . 2]" 1
1194 1 71 ILE MG 1 73 GLY H . . 3.290 2.682 2.475 3.204 . 0 0 "[ . 1 . 2]" 1
1195 1 71 ILE MG 1 73 GLY HA2 . . 5.040 4.257 4.043 4.625 . 0 0 "[ . 1 . 2]" 1
1196 1 71 ILE MG 1 73 GLY QA . . 4.180 3.802 3.675 4.063 . 0 0 "[ . 1 . 2]" 1
1197 1 71 ILE MG 1 73 GLY HA3 . . 5.040 4.289 4.069 4.587 . 0 0 "[ . 1 . 2]" 1
1198 1 71 ILE MG 1 74 THR H . . 4.830 4.502 4.137 4.739 . 0 0 "[ . 1 . 2]" 1
1199 1 71 ILE MG 1 74 THR HA . . 4.500 4.034 3.924 4.153 . 0 0 "[ . 1 . 2]" 1
1200 1 71 ILE MG 1 74 THR MG . . 2.770 1.675 1.613 1.728 . 0 0 "[ . 1 . 2]" 1
1201 1 72 LYS H 1 72 LYS HB2 . . 3.510 2.838 2.645 2.980 . 0 0 "[ . 1 . 2]" 1
1202 1 72 LYS H 1 72 LYS HB3 . . 4.200 3.784 3.717 3.871 . 0 0 "[ . 1 . 2]" 1
1203 1 72 LYS H 1 72 LYS QD . . 4.160 3.790 3.127 4.185 0.025 15 0 "[ . 1 . 2]" 1
1204 1 72 LYS H 1 72 LYS HG2 . . 4.520 2.823 2.136 3.710 . 0 0 "[ . 1 . 2]" 1
1205 1 72 LYS H 1 72 LYS QG . . 3.700 2.366 2.122 2.592 . 0 0 "[ . 1 . 2]" 1
1206 1 72 LYS H 1 72 LYS HG3 . . 4.520 3.225 2.317 3.907 . 0 0 "[ . 1 . 2]" 1
1207 1 72 LYS H 1 73 GLY H . . 3.090 1.985 1.900 2.148 . 0 0 "[ . 1 . 2]" 1
1208 1 72 LYS HA 1 72 LYS QD . . 4.180 3.051 2.208 4.101 . 0 0 "[ . 1 . 2]" 1
1209 1 72 LYS HA 1 72 LYS HG2 . . 4.100 2.980 2.646 3.359 . 0 0 "[ . 1 . 2]" 1
1210 1 72 LYS HA 1 72 LYS QG . . 3.590 2.849 2.548 3.171 . 0 0 "[ . 1 . 2]" 1
1211 1 72 LYS HA 1 72 LYS HG3 . . 4.100 3.646 3.204 3.913 . 0 0 "[ . 1 . 2]" 1
1212 1 72 LYS HB2 1 73 GLY H . . 3.570 2.658 2.446 2.799 . 0 0 "[ . 1 . 2]" 1
1213 1 72 LYS HB3 1 73 GLY H . . 4.130 3.940 3.780 4.068 . 0 0 "[ . 1 . 2]" 1
1214 1 72 LYS QG 1 73 GLY H . . 4.020 3.624 3.484 3.861 . 0 0 "[ . 1 . 2]" 1
1215 1 73 GLY H 1 74 THR MG . . 4.590 3.371 3.239 3.578 . 0 0 "[ . 1 . 2]" 1
1216 1 73 GLY QA 1 74 THR H . . 2.790 2.183 2.170 2.225 . 0 0 "[ . 1 . 2]" 1
1217 1 73 GLY HA2 1 74 THR H . . 3.250 2.223 2.203 2.288 . 0 0 "[ . 1 . 2]" 1
1218 1 73 GLY HA3 1 74 THR H . . 3.250 3.194 3.035 3.258 0.008 17 0 "[ . 1 . 2]" 1
1219 1 74 THR H 1 74 THR MG . . 3.890 3.157 2.878 3.409 . 0 0 "[ . 1 . 2]" 1
1220 1 74 THR H 1 75 GLU H . . 4.940 4.098 3.956 4.288 . 0 0 "[ . 1 . 2]" 1
1221 1 74 THR HA 1 74 THR MG . . 3.120 2.374 2.206 2.524 . 0 0 "[ . 1 . 2]" 1
1222 1 74 THR HA 1 75 GLU H . . 3.000 2.172 2.150 2.230 . 0 0 "[ . 1 . 2]" 1
1223 1 74 THR HA 1 75 GLU QG . . 4.560 4.066 3.200 4.547 . 0 0 "[ . 1 . 2]" 1
1224 1 74 THR HB 1 75 GLU H . . 3.700 3.488 3.143 3.704 0.004 19 0 "[ . 1 . 2]" 1
1225 1 74 THR MG 1 75 GLU H . . 4.160 4.072 3.928 4.162 0.002 13 0 "[ . 1 . 2]" 1
1226 1 74 THR MG 1 75 GLU HA . . 5.500 5.481 5.423 5.505 0.005 9 0 "[ . 1 . 2]" 1
1227 1 75 GLU H 1 75 GLU HB2 . . 4.140 3.920 3.733 4.057 . 0 0 "[ . 1 . 2]" 1
1228 1 75 GLU H 1 75 GLU QB . . 3.500 3.233 3.078 3.367 . 0 0 "[ . 1 . 2]" 1
1229 1 75 GLU H 1 75 GLU HB3 . . 4.140 3.449 3.265 3.830 . 0 0 "[ . 1 . 2]" 1
1230 1 75 GLU H 1 75 GLU QG . . 4.280 2.606 2.014 2.998 . 0 0 "[ . 1 . 2]" 1
1231 1 75 GLU HA 1 75 GLU QG . . 3.730 3.391 3.251 3.480 . 0 0 "[ . 1 . 2]" 1
1232 1 75 GLU HA 1 76 PRO HD2 . . 2.970 2.719 2.672 2.943 . 0 0 "[ . 1 . 2]" 1
1233 1 75 GLU HA 1 76 PRO QD . . 2.590 1.960 1.934 2.100 . 0 0 "[ . 1 . 2]" 1
1234 1 75 GLU HA 1 76 PRO HD3 . . 2.970 2.010 1.985 2.150 . 0 0 "[ . 1 . 2]" 1
1235 1 75 GLU QB 1 76 PRO QD . . 3.780 2.091 1.906 2.172 . 0 0 "[ . 1 . 2]" 1
1236 1 75 GLU QB 1 77 ILE MG . . 4.330 3.429 3.216 3.621 . 0 0 "[ . 1 . 2]" 1
1237 1 75 GLU QG 1 76 PRO HD2 . . 4.580 3.840 3.566 4.075 . 0 0 "[ . 1 . 2]" 1
1238 1 75 GLU QG 1 76 PRO QD . . 3.850 3.637 3.413 3.825 . 0 0 "[ . 1 . 2]" 1
1239 1 75 GLU QG 1 76 PRO HD3 . . 4.580 4.503 4.356 4.636 0.056 16 0 "[ . 1 . 2]" 1
1240 1 75 GLU QG 1 77 ILE MG . . 4.320 2.014 1.863 3.643 . 0 0 "[ . 1 . 2]" 1
1241 1 76 PRO HA 1 77 ILE H . . 2.850 2.194 2.188 2.211 . 0 0 "[ . 1 . 2]" 1
1242 1 76 PRO HB2 1 77 ILE H . . 4.370 4.116 4.097 4.157 . 0 0 "[ . 1 . 2]" 1
1243 1 76 PRO HB3 1 77 ILE H . . 4.370 4.334 4.318 4.372 0.002 15 0 "[ . 1 . 2]" 1
1244 1 76 PRO HD2 1 77 ILE H . . 5.500 5.189 5.143 5.208 . 0 0 "[ . 1 . 2]" 1
1245 1 76 PRO HD3 1 77 ILE H . . 5.500 5.499 5.460 5.516 0.016 2 0 "[ . 1 . 2]" 1
1246 1 77 ILE H 1 77 ILE MD . . 4.420 3.756 3.376 3.923 . 0 0 "[ . 1 . 2]" 1
1247 1 77 ILE H 1 77 ILE HG12 . . 3.650 3.529 3.448 3.605 . 0 0 "[ . 1 . 2]" 1
1248 1 77 ILE H 1 77 ILE HG13 . . 3.650 2.350 2.085 2.535 . 0 0 "[ . 1 . 2]" 1
1249 1 77 ILE H 1 77 ILE MG . . 3.510 2.366 2.197 2.554 . 0 0 "[ . 1 . 2]" 1
1250 1 77 ILE HA 1 77 ILE MD . . 3.960 3.386 3.275 3.478 . 0 0 "[ . 1 . 2]" 1
1251 1 77 ILE HA 1 77 ILE MG . . 3.220 2.465 2.339 2.552 . 0 0 "[ . 1 . 2]" 1
1252 1 77 ILE HA 1 78 ILE H . . 3.100 2.475 2.375 2.676 . 0 0 "[ . 1 . 2]" 1
1253 1 77 ILE HB 1 77 ILE MD . . 3.330 2.040 1.999 2.117 . 0 0 "[ . 1 . 2]" 1
1254 1 77 ILE HB 1 78 ILE H . . 3.410 2.615 2.230 2.831 . 0 0 "[ . 1 . 2]" 1
1255 1 77 ILE HB 1 79 VAL H . . 5.500 5.498 5.471 5.509 0.009 17 0 "[ . 1 . 2]" 1
1256 1 77 ILE MD 1 78 ILE H . . 3.410 2.305 1.983 2.622 . 0 0 "[ . 1 . 2]" 1
1257 1 77 ILE MD 1 78 ILE HA . . 4.140 2.893 2.519 3.117 . 0 0 "[ . 1 . 2]" 1
1258 1 77 ILE MD 1 79 VAL H . . 4.370 2.520 2.324 2.712 . 0 0 "[ . 1 . 2]" 1
1259 1 77 ILE MD 1 79 VAL MG2 . . 2.770 1.695 1.644 1.795 . 0 0 "[ . 1 . 2]" 1
1260 1 77 ILE QG 1 77 ILE MG . . 2.670 2.131 2.074 2.149 . 0 0 "[ . 1 . 2]" 1
1261 1 77 ILE QG 1 78 ILE H . . 4.150 3.759 3.515 4.031 . 0 0 "[ . 1 . 2]" 1
1262 1 77 ILE HG12 1 78 ILE H . . 4.760 4.551 4.203 4.762 0.002 2 0 "[ . 1 . 2]" 1
1263 1 77 ILE HG13 1 78 ILE H . . 4.760 4.011 3.727 4.351 . 0 0 "[ . 1 . 2]" 1
1264 1 77 ILE MG 1 78 ILE H . . 4.130 4.012 3.809 4.123 . 0 0 "[ . 1 . 2]" 1
1265 1 78 ILE H 1 78 ILE HB . . 4.100 2.522 2.370 2.765 . 0 0 "[ . 1 . 2]" 1
1266 1 78 ILE H 1 78 ILE MD . . 4.620 3.921 2.393 4.508 . 0 0 "[ . 1 . 2]" 1
1267 1 78 ILE H 1 78 ILE HG12 . . 4.460 3.800 3.220 4.454 . 0 0 "[ . 1 . 2]" 1
1268 1 78 ILE H 1 78 ILE QG . . 3.840 3.057 2.640 3.645 . 0 0 "[ . 1 . 2]" 1
1269 1 78 ILE H 1 78 ILE HG13 . . 4.460 3.394 2.711 4.464 0.004 17 0 "[ . 1 . 2]" 1
1270 1 78 ILE H 1 78 ILE MG . . 3.900 3.739 3.583 3.838 . 0 0 "[ . 1 . 2]" 1
1271 1 78 ILE HA 1 78 ILE MD . . 3.720 3.255 1.911 3.719 . 0 0 "[ . 1 . 2]" 1
1272 1 78 ILE HA 1 78 ILE HG12 . . 3.860 2.636 2.316 3.496 . 0 0 "[ . 1 . 2]" 1
1273 1 78 ILE HA 1 78 ILE QG . . 3.180 2.381 2.172 2.775 . 0 0 "[ . 1 . 2]" 1
1274 1 78 ILE HA 1 78 ILE HG13 . . 3.860 3.112 2.195 3.632 . 0 0 "[ . 1 . 2]" 1
1275 1 78 ILE HA 1 78 ILE MG . . 3.250 2.487 2.375 2.654 . 0 0 "[ . 1 . 2]" 1
1276 1 78 ILE HA 1 79 VAL H . . 3.070 2.190 2.177 2.196 . 0 0 "[ . 1 . 2]" 1
1277 1 78 ILE HA 1 79 VAL MG2 . . 4.120 3.491 3.380 3.556 . 0 0 "[ . 1 . 2]" 1
1278 1 78 ILE MD 1 79 VAL H . . 5.340 4.790 3.167 5.324 . 0 0 "[ . 1 . 2]" 1
1279 1 78 ILE QG 1 78 ILE MG . . 3.120 2.380 2.009 2.528 . 0 0 "[ . 1 . 2]" 1
1280 1 78 ILE QG 1 79 VAL H . . 4.660 4.325 4.119 4.667 0.007 1 0 "[ . 1 . 2]" 1
1281 1 78 ILE HG12 1 78 ILE MG . . 3.660 2.646 2.069 3.235 . 0 0 "[ . 1 . 2]" 1
1282 1 78 ILE HG12 1 79 VAL H . . 5.500 4.743 4.322 5.479 . 0 0 "[ . 1 . 2]" 1
1283 1 78 ILE HG13 1 78 ILE MG . . 3.660 2.967 2.277 3.226 . 0 0 "[ . 1 . 2]" 1
1284 1 78 ILE HG13 1 79 VAL H . . 5.500 5.187 4.281 5.513 0.013 17 0 "[ . 1 . 2]" 1
1285 1 78 ILE MG 1 79 VAL H . . 3.600 3.148 2.962 3.263 . 0 0 "[ . 1 . 2]" 1
1286 1 79 VAL H 1 79 VAL HB . . 3.470 2.512 2.449 2.691 . 0 0 "[ . 1 . 2]" 1
1287 1 79 VAL H 1 79 VAL MG1 . . 3.750 3.726 3.702 3.745 . 0 0 "[ . 1 . 2]" 1
1288 1 79 VAL H 1 79 VAL MG2 . . 3.380 1.976 1.886 2.116 . 0 0 "[ . 1 . 2]" 1
1289 1 79 VAL H 1 80 ASP H . . 4.680 4.625 4.603 4.640 . 0 0 "[ . 1 . 2]" 1
1290 1 79 VAL HA 1 79 VAL MG1 . . 3.310 2.317 2.140 2.416 . 0 0 "[ . 1 . 2]" 1
1291 1 79 VAL HA 1 79 VAL MG2 . . 3.270 2.481 2.425 2.560 . 0 0 "[ . 1 . 2]" 1
1292 1 79 VAL HA 1 80 ASP H . . 3.110 2.291 2.238 2.329 . 0 0 "[ . 1 . 2]" 1
1293 1 79 VAL HB 1 80 ASP H . . 4.730 3.916 3.836 3.975 . 0 0 "[ . 1 . 2]" 1
1294 1 79 VAL MG1 1 80 ASP H . . 3.710 2.292 1.936 2.622 . 0 0 "[ . 1 . 2]" 1
1295 1 79 VAL MG1 1 80 ASP HA . . 5.500 3.772 3.629 4.088 . 0 0 "[ . 1 . 2]" 1
1296 1 79 VAL MG2 1 80 ASP H . . 4.320 4.091 4.026 4.278 . 0 0 "[ . 1 . 2]" 1
1297 1 79 VAL MG2 1 80 ASP HA . . 5.500 5.497 5.458 5.506 0.006 17 0 "[ . 1 . 2]" 1
1298 1 80 ASP H 1 80 ASP HB2 . . 3.980 2.607 2.464 2.813 . 0 0 "[ . 1 . 2]" 1
1299 1 80 ASP H 1 80 ASP QB . . 3.320 2.519 2.423 2.709 . 0 0 "[ . 1 . 2]" 1
1300 1 80 ASP H 1 80 ASP HB3 . . 3.980 3.524 2.886 3.798 . 0 0 "[ . 1 . 2]" 1
1301 1 80 ASP H 1 81 PRO HA . . 5.500 4.859 4.777 4.893 . 0 0 "[ . 1 . 2]" 1
1302 1 80 ASP H 1 81 PRO HD2 . . 5.460 5.004 4.983 5.010 . 0 0 "[ . 1 . 2]" 1
1303 1 80 ASP H 1 81 PRO HD3 . . 4.950 4.567 4.386 4.609 . 0 0 "[ . 1 . 2]" 1
1304 1 80 ASP HA 1 81 PRO HD2 . . 3.220 2.577 2.414 2.611 . 0 0 "[ . 1 . 2]" 1
1305 1 80 ASP HA 1 81 PRO HD3 . . 3.080 1.986 1.969 1.991 . 0 0 "[ . 1 . 2]" 1
1306 1 80 ASP HA 1 81 PRO HG2 . . 4.580 4.569 4.467 4.590 0.010 16 0 "[ . 1 . 2]" 1
1307 1 80 ASP HA 1 81 PRO HG3 . . 4.580 4.262 4.241 4.267 . 0 0 "[ . 1 . 2]" 1
1308 1 80 ASP QB 1 81 PRO HD2 . . 4.320 2.762 2.401 3.735 . 0 0 "[ . 1 . 2]" 1
1309 1 80 ASP QB 1 81 PRO HD3 . . 4.490 3.563 3.310 4.088 . 0 0 "[ . 1 . 2]" 1
1310 1 81 PRO HA 1 82 PHE H . . 3.000 2.476 2.360 2.566 . 0 0 "[ . 1 . 2]" 1
1311 1 81 PRO HB2 1 82 PHE H . . 3.630 2.616 2.404 2.906 . 0 0 "[ . 1 . 2]" 1
1312 1 81 PRO HB3 1 82 PHE H . . 4.240 3.355 3.257 3.499 . 0 0 "[ . 1 . 2]" 1
1313 1 81 PRO QG 1 82 PHE H . . 4.930 4.323 4.171 4.519 . 0 0 "[ . 1 . 2]" 1
1314 1 82 PHE H 1 82 PHE HB2 . . 3.540 2.654 2.497 3.020 . 0 0 "[ . 1 . 2]" 1
1315 1 82 PHE H 1 82 PHE HB3 . . 3.540 2.164 2.034 2.647 . 0 0 "[ . 1 . 2]" 1
1316 1 82 PHE H 1 82 PHE QD . . 4.590 4.003 3.830 4.173 . 0 0 "[ . 1 . 2]" 1
1317 1 82 PHE HA 1 82 PHE QD . . 3.800 2.632 2.095 3.293 . 0 0 "[ . 1 . 2]" 1
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