NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503111 |
2l8j   |
17412 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8j
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 1330
_Distance_constraint_stats_list.Viol_count 1197
_Distance_constraint_stats_list.Viol_total 1170.011
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_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 4 GLU 0.066 0.066 5 0 "[ . 1 . 2]"
1 5 PHE 0.178 0.066 5 0 "[ . 1 . 2]"
1 6 LYS 0.442 0.062 9 0 "[ . 1 . 2]"
1 7 PHE 1.584 0.083 20 0 "[ . 1 . 2]"
1 15 PHE 0.104 0.059 10 0 "[ . 1 . 2]"
1 16 GLU 1.033 0.059 11 0 "[ . 1 . 2]"
1 17 TYR 0.311 0.053 12 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 2.042 0.082 17 0 "[ . 1 . 2]"
1 20 LYS 0.606 0.073 17 0 "[ . 1 . 2]"
1 21 GLU 0.255 0.065 13 0 "[ . 1 . 2]"
1 22 GLY 0.562 0.071 13 0 "[ . 1 . 2]"
1 23 GLU 1.117 0.073 4 0 "[ . 1 . 2]"
1 24 LYS 2.017 0.073 4 0 "[ . 1 . 2]"
1 25 ILE 0.437 0.061 10 0 "[ . 1 . 2]"
1 26 ARG 1.152 0.073 1 0 "[ . 1 . 2]"
1 27 LYS 2.169 0.077 4 0 "[ . 1 . 2]"
1 28 LYS 3.108 0.074 16 0 "[ . 1 . 2]"
1 29 TYR 0.538 0.069 12 0 "[ . 1 . 2]"
1 30 PRO 1.068 0.068 17 0 "[ . 1 . 2]"
1 31 ASP 0.429 0.061 14 0 "[ . 1 . 2]"
1 32 ARG 0.485 0.059 6 0 "[ . 1 . 2]"
1 33 VAL 0.327 0.076 6 0 "[ . 1 . 2]"
1 34 PRO 0.142 0.057 19 0 "[ . 1 . 2]"
1 35 VAL 1.349 0.081 2 0 "[ . 1 . 2]"
1 36 ILE 1.070 0.088 1 0 "[ . 1 . 2]"
1 37 VAL 0.389 0.080 4 0 "[ . 1 . 2]"
1 38 GLU 1.165 0.079 19 0 "[ . 1 . 2]"
1 39 LYS 1.975 0.077 12 0 "[ . 1 . 2]"
1 40 ALA 1.856 0.077 12 0 "[ . 1 . 2]"
1 41 PRO 2.306 0.074 4 0 "[ . 1 . 2]"
1 42 LYS 0.188 0.074 4 0 "[ . 1 . 2]"
1 43 ALA 0.604 0.075 15 0 "[ . 1 . 2]"
1 44 ARG 1.784 0.067 10 0 "[ . 1 . 2]"
1 45 VAL 1.788 0.084 10 0 "[ . 1 . 2]"
1 46 PRO 2.404 0.071 9 0 "[ . 1 . 2]"
1 47 ASP 1.105 0.064 10 0 "[ . 1 . 2]"
1 48 LEU 0.852 0.077 5 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.164 0.067 11 0 "[ . 1 . 2]"
1 52 LYS 0.336 0.073 2 0 "[ . 1 . 2]"
1 53 TYR 1.578 0.088 1 0 "[ . 1 . 2]"
1 54 LEU 0.327 0.076 13 0 "[ . 1 . 2]"
1 55 VAL 0.053 0.053 14 0 "[ . 1 . 2]"
1 56 PRO 0.795 0.061 14 0 "[ . 1 . 2]"
1 57 SER 0.417 0.073 10 0 "[ . 1 . 2]"
1 58 ASP 1.696 0.073 7 0 "[ . 1 . 2]"
1 59 LEU 1.753 0.061 14 0 "[ . 1 . 2]"
1 60 THR 0.336 0.084 20 0 "[ . 1 . 2]"
1 61 VAL 2.833 0.081 17 0 "[ . 1 . 2]"
1 62 GLY 0.354 0.068 14 0 "[ . 1 . 2]"
1 63 GLN 1.358 0.084 16 0 "[ . 1 . 2]"
1 64 PHE 2.809 0.075 5 0 "[ . 1 . 2]"
1 65 TYR 1.442 0.069 10 0 "[ . 1 . 2]"
1 66 PHE 0.278 0.065 5 0 "[ . 1 . 2]"
1 67 LEU 1.096 0.084 16 0 "[ . 1 . 2]"
1 68 ILE 1.204 0.077 5 0 "[ . 1 . 2]"
1 69 ARG 0.435 0.065 16 0 "[ . 1 . 2]"
1 70 LYS 0.571 0.079 6 0 "[ . 1 . 2]"
1 71 ARG 0.001 0.001 14 0 "[ . 1 . 2]"
1 72 ILE 0.905 0.067 13 0 "[ . 1 . 2]"
1 73 HIS 1.158 0.067 13 0 "[ . 1 . 2]"
1 74 LEU 1.702 0.071 9 0 "[ . 1 . 2]"
1 75 ARG 1.732 0.069 19 0 "[ . 1 . 2]"
1 76 PRO 1.627 0.069 19 0 "[ . 1 . 2]"
1 77 GLU 0.108 0.052 17 0 "[ . 1 . 2]"
1 78 ASP 0.840 0.059 12 0 "[ . 1 . 2]"
1 79 ALA 0.261 0.060 3 0 "[ . 1 . 2]"
1 80 LEU 1.279 0.066 13 0 "[ . 1 . 2]"
1 81 PHE 0.328 0.063 3 0 "[ . 1 . 2]"
1 82 PHE 0.331 0.061 14 0 "[ . 1 . 2]"
1 83 PHE 0.738 0.071 10 0 "[ . 1 . 2]"
1 84 VAL 0.735 0.078 10 0 "[ . 1 . 2]"
1 85 ASN 1.106 0.065 14 0 "[ . 1 . 2]"
1 86 ASN 0.152 0.053 4 0 "[ . 1 . 2]"
1 87 THR 0.570 0.061 10 0 "[ . 1 . 2]"
1 88 ILE 1.301 0.074 16 0 "[ . 1 . 2]"
1 89 PRO 1.039 0.066 10 0 "[ . 1 . 2]"
1 90 PRO 1.493 0.081 17 0 "[ . 1 . 2]"
1 91 THR 0.946 0.068 14 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 1.178 0.084 20 0 "[ . 1 . 2]"
1 94 THR 0.783 0.068 10 0 "[ . 1 . 2]"
1 95 MET 2.949 0.080 12 0 "[ . 1 . 2]"
1 96 GLY 0.733 0.076 6 0 "[ . 1 . 2]"
1 97 GLN 0.209 0.058 10 0 "[ . 1 . 2]"
1 98 LEU 1.147 0.075 9 0 "[ . 1 . 2]"
1 99 TYR 2.354 0.072 17 0 "[ . 1 . 2]"
1 100 GLU 0.291 0.055 5 0 "[ . 1 . 2]"
1 101 ASP 0.253 0.069 5 0 "[ . 1 . 2]"
1 102 ASN 1.911 0.075 9 0 "[ . 1 . 2]"
1 103 HIS 0.687 0.072 10 0 "[ . 1 . 2]"
1 104 GLU 0.496 0.055 16 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASP 0.981 0.067 1 0 "[ . 1 . 2]"
1 107 TYR 1.119 0.077 4 0 "[ . 1 . 2]"
1 108 PHE 0.147 0.066 15 0 "[ . 1 . 2]"
1 109 LEU 2.496 0.078 10 0 "[ . 1 . 2]"
1 110 TYR 0.516 0.082 6 0 "[ . 1 . 2]"
1 111 VAL 0.574 0.081 2 0 "[ . 1 . 2]"
1 112 ALA 0.083 0.083 20 0 "[ . 1 . 2]"
1 113 TYR 0.697 0.080 4 0 "[ . 1 . 2]"
1 114 SER 0.543 0.065 12 0 "[ . 1 . 2]"
1 115 ASP 1.269 0.084 10 0 "[ . 1 . 2]"
1 116 GLU 1.641 0.067 10 0 "[ . 1 . 2]"
1 117 SER 0.778 0.074 16 0 "[ . 1 . 2]"
1 118 VAL 0.623 0.070 8 0 "[ . 1 . 2]"
1 119 TYR 1.018 0.069 4 0 "[ . 1 . 2]"
2 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 SER 1.268 0.067 9 0 "[ . 1 . 2]"
2 9 GLU 1.284 0.065 8 0 "[ . 1 . 2]"
2 10 ASP 0.693 0.061 13 0 "[ . 1 . 2]"
2 11 TYR 0.880 0.076 13 0 "[ . 1 . 2]"
2 12 ILE 0.309 0.073 2 0 "[ . 1 . 2]"
2 13 ILE 0.745 0.069 12 0 "[ . 1 . 2]"
2 14 ILE 0.775 0.068 20 0 "[ . 1 . 2]"
2 15 LEU 0.481 0.066 13 0 "[ . 1 . 2]"
2 16 PRO 0.078 0.066 13 0 "[ . 1 . 2]"
2 17 GLU 0.331 0.073 15 0 "[ . 1 . 2]"
2 18 SER 0.343 0.073 15 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 4 GLU HA 1 5 PHE H . . 3.320 2.514 2.141 3.386 0.066 5 0 "[ . 1 . 2]" 1
2 1 4 GLU HA 1 5 PHE QB . . 5.710 4.502 4.088 5.191 . 0 0 "[ . 1 . 2]" 1
3 1 5 PHE H 1 6 LYS H . . 5.140 3.874 1.843 4.620 . 0 0 "[ . 1 . 2]" 1
4 1 5 PHE HA 1 6 LYS H . . 3.480 2.642 2.157 3.533 0.053 7 0 "[ . 1 . 2]" 1
5 1 6 LYS H 1 6 LYS HB2 . . 3.960 3.273 2.297 4.011 0.051 3 0 "[ . 1 . 2]" 1
6 1 6 LYS H 1 6 LYS HG3 . . 4.650 3.900 2.806 4.704 0.054 1 0 "[ . 1 . 2]" 1
7 1 6 LYS HA 1 6 LYS HG3 . . 3.860 3.329 2.460 3.872 0.012 6 0 "[ . 1 . 2]" 1
8 1 6 LYS HB3 1 7 PHE H . . 4.290 3.037 1.950 4.352 0.062 9 0 "[ . 1 . 2]" 1
9 1 7 PHE H 1 7 PHE HB2 . . 4.030 2.439 2.116 3.747 . 0 0 "[ . 1 . 2]" 1
10 1 7 PHE HA 1 38 GLU HB2 . . 5.500 5.140 4.562 5.579 0.079 19 0 "[ . 1 . 2]" 1
11 1 7 PHE HB3 1 110 TYR QD . . 7.800 7.338 6.184 7.865 0.065 14 0 "[ . 1 . 2]" 1
12 1 7 PHE HB3 1 110 TYR QE . . 7.100 6.099 5.248 7.182 0.082 6 0 "[ . 1 . 2]" 1
13 1 7 PHE QD 1 38 GLU HB2 . . 7.040 4.532 3.608 5.565 . 0 0 "[ . 1 . 2]" 1
14 1 7 PHE QD 1 38 GLU HB3 . . 6.810 4.845 2.646 6.221 . 0 0 "[ . 1 . 2]" 1
15 1 7 PHE QD 1 38 GLU QG . . 7.610 3.414 2.209 5.504 . 0 0 "[ . 1 . 2]" 1
16 1 7 PHE QD 1 110 TYR QD . . 8.870 6.942 5.671 7.537 . 0 0 "[ . 1 . 2]" 1
17 1 7 PHE QD 1 112 ALA MB . . 7.600 6.562 4.881 7.683 0.083 20 0 "[ . 1 . 2]" 1
18 1 7 PHE QE 1 38 GLU H . . 7.400 7.194 6.157 7.476 0.076 3 0 "[ . 1 . 2]" 1
19 1 7 PHE QE 1 110 TYR QD . . 9.290 8.090 6.465 8.892 . 0 0 "[ . 1 . 2]" 1
20 1 15 PHE HA 1 16 GLU HA . . 5.530 4.815 4.627 4.945 . 0 0 "[ . 1 . 2]" 1
21 1 15 PHE HA 1 16 GLU QG . . 6.100 5.228 4.867 6.145 0.045 11 0 "[ . 1 . 2]" 1
22 1 15 PHE HB2 1 16 GLU H . . 4.220 3.695 2.666 4.071 . 0 0 "[ . 1 . 2]" 1
23 1 15 PHE HB3 1 16 GLU H . . 3.830 2.727 2.416 3.387 . 0 0 "[ . 1 . 2]" 1
24 1 15 PHE HB3 1 16 GLU HA . . 5.240 4.271 3.953 4.547 . 0 0 "[ . 1 . 2]" 1
25 1 15 PHE HB3 1 16 GLU HB3 . . 5.020 4.477 4.158 5.079 0.059 10 0 "[ . 1 . 2]" 1
26 1 15 PHE HB3 1 16 GLU QG . . 5.700 4.713 4.071 5.602 . 0 0 "[ . 1 . 2]" 1
27 1 15 PHE QD 1 16 GLU H . . 6.540 3.733 2.747 4.663 . 0 0 "[ . 1 . 2]" 1
28 1 15 PHE QD 1 16 GLU HA . . 6.530 3.802 2.664 5.840 . 0 0 "[ . 1 . 2]" 1
29 1 16 GLU H 1 16 GLU HB2 . . 3.600 3.618 3.555 3.659 0.059 11 0 "[ . 1 . 2]" 1
30 1 16 GLU H 1 16 GLU HB3 . . 4.030 2.534 2.405 2.699 . 0 0 "[ . 1 . 2]" 1
31 1 16 GLU H 1 16 GLU QG . . 5.000 2.292 2.067 3.092 . 0 0 "[ . 1 . 2]" 1
32 1 16 GLU H 1 17 TYR H . . 4.750 2.820 2.621 2.994 . 0 0 "[ . 1 . 2]" 1
33 1 16 GLU HA 1 17 TYR HA . . 5.040 4.777 4.698 4.857 . 0 0 "[ . 1 . 2]" 1
34 1 16 GLU HA 1 19 LYS HB2 . . 4.130 3.850 3.530 4.181 0.051 7 0 "[ . 1 . 2]" 1
35 1 16 GLU HA 1 19 LYS HB3 . . 4.620 2.963 2.319 3.710 . 0 0 "[ . 1 . 2]" 1
36 1 16 GLU HB2 1 17 TYR H . . 4.290 3.882 3.598 4.130 . 0 0 "[ . 1 . 2]" 1
37 1 16 GLU HB2 1 17 TYR HA . . 4.690 4.657 4.493 4.743 0.053 12 0 "[ . 1 . 2]" 1
38 1 16 GLU HB2 1 19 LYS H . . 5.900 5.723 5.439 5.948 0.048 6 0 "[ . 1 . 2]" 1
39 1 16 GLU QG 1 17 TYR H . . 6.120 2.299 1.960 2.823 . 0 0 "[ . 1 . 2]" 1
40 1 16 GLU QG 1 17 TYR HB2 . . 6.120 3.381 2.775 4.162 . 0 0 "[ . 1 . 2]" 1
41 1 16 GLU QG 1 17 TYR HB3 . . 5.850 4.454 3.893 5.092 . 0 0 "[ . 1 . 2]" 1
42 1 16 GLU QG 1 17 TYR QD . . 7.850 3.351 2.114 5.164 . 0 0 "[ . 1 . 2]" 1
43 1 17 TYR H 1 17 TYR HB3 . . 3.940 3.084 2.273 3.672 . 0 0 "[ . 1 . 2]" 1
44 1 17 TYR H 1 18 ARG H . . 4.350 2.587 2.432 2.719 . 0 0 "[ . 1 . 2]" 1
45 1 17 TYR HA 1 20 LYS H . . 4.970 3.489 3.316 3.686 . 0 0 "[ . 1 . 2]" 1
46 1 17 TYR HA 1 20 LYS QB . . 5.110 2.792 2.337 4.141 . 0 0 "[ . 1 . 2]" 1
47 1 17 TYR HA 1 20 LYS QD . . 5.670 3.437 2.327 5.405 . 0 0 "[ . 1 . 2]" 1
48 1 17 TYR HB2 1 18 ARG H . . 5.500 3.216 2.385 3.892 . 0 0 "[ . 1 . 2]" 1
49 1 17 TYR HB3 1 18 ARG H . . 5.140 2.915 2.379 3.672 . 0 0 "[ . 1 . 2]" 1
50 1 17 TYR QD 1 18 ARG H . . 7.170 4.130 3.008 4.629 . 0 0 "[ . 1 . 2]" 1
51 1 17 TYR QD 1 20 LYS H . . 6.720 5.563 4.896 6.049 . 0 0 "[ . 1 . 2]" 1
52 1 18 ARG H 1 19 LYS H . . 5.230 2.765 2.556 2.904 . 0 0 "[ . 1 . 2]" 1
53 1 19 LYS H 1 20 LYS H . . 4.200 2.845 2.743 3.052 . 0 0 "[ . 1 . 2]" 1
54 1 19 LYS H 1 106 ASP HB2 . . 5.700 4.612 3.391 5.754 0.054 6 0 "[ . 1 . 2]" 1
55 1 19 LYS H 1 106 ASP HB3 . . 5.190 4.284 3.659 4.940 . 0 0 "[ . 1 . 2]" 1
56 1 19 LYS HA 1 19 LYS HD2 . . 4.780 3.660 2.108 4.694 . 0 0 "[ . 1 . 2]" 1
57 1 19 LYS HA 1 106 ASP HA . . 3.320 2.179 1.935 2.588 . 0 0 "[ . 1 . 2]" 1
58 1 19 LYS HA 1 106 ASP HB2 . . 4.500 3.599 2.285 4.559 0.059 14 0 "[ . 1 . 2]" 1
59 1 19 LYS HA 1 106 ASP HB3 . . 4.320 3.441 2.817 4.386 0.066 1 0 "[ . 1 . 2]" 1
60 1 19 LYS HA 1 108 PHE QD . . 7.150 4.943 4.040 7.215 0.065 12 0 "[ . 1 . 2]" 1
61 1 19 LYS HB2 1 20 LYS H . . 4.710 3.856 3.509 4.071 . 0 0 "[ . 1 . 2]" 1
62 1 19 LYS HB2 1 106 ASP HA . . 3.980 3.308 2.493 3.938 . 0 0 "[ . 1 . 2]" 1
63 1 19 LYS HB3 1 19 LYS HD2 . . 4.230 2.765 2.269 3.799 . 0 0 "[ . 1 . 2]" 1
64 1 19 LYS HB3 1 20 LYS H . . 4.420 2.602 2.261 2.852 . 0 0 "[ . 1 . 2]" 1
65 1 19 LYS HB3 1 20 LYS HA . . 4.710 4.373 3.993 4.721 0.011 17 0 "[ . 1 . 2]" 1
66 1 19 LYS HB3 1 20 LYS HG3 . . 5.000 3.833 3.265 5.053 0.053 12 0 "[ . 1 . 2]" 1
67 1 19 LYS HB3 1 106 ASP HA . . 4.700 4.510 3.961 4.767 0.067 1 0 "[ . 1 . 2]" 1
68 1 19 LYS HE2 1 19 LYS HG3 . . 3.360 2.823 2.238 3.442 0.082 17 0 "[ . 1 . 2]" 1
69 1 19 LYS HD2 1 20 LYS H . . 4.350 3.941 2.989 4.423 0.073 17 0 "[ . 1 . 2]" 1
70 1 19 LYS HD2 1 106 ASP HA . . 5.300 4.684 2.743 5.366 0.066 20 0 "[ . 1 . 2]" 1
71 1 20 LYS H 1 20 LYS HG2 . . 4.140 3.691 2.466 3.995 . 0 0 "[ . 1 . 2]" 1
72 1 20 LYS H 1 20 LYS HG3 . . 3.600 2.634 2.384 3.490 . 0 0 "[ . 1 . 2]" 1
73 1 20 LYS H 1 20 LYS QD . . 5.840 3.821 3.405 4.611 . 0 0 "[ . 1 . 2]" 1
74 1 20 LYS H 1 21 GLU H . . 3.630 2.851 2.633 3.025 . 0 0 "[ . 1 . 2]" 1
75 1 20 LYS HA 1 20 LYS HG2 . . 3.930 2.596 2.313 3.982 0.052 4 0 "[ . 1 . 2]" 1
76 1 20 LYS HA 1 20 LYS HG3 . . 4.250 2.882 2.622 3.746 . 0 0 "[ . 1 . 2]" 1
77 1 20 LYS HA 1 20 LYS QD . . 4.770 4.000 2.285 4.293 . 0 0 "[ . 1 . 2]" 1
78 1 20 LYS QB 1 21 GLU H . . 5.060 2.602 2.299 3.525 . 0 0 "[ . 1 . 2]" 1
79 1 21 GLU H 1 21 GLU HB3 . . 3.850 3.184 2.347 3.638 . 0 0 "[ . 1 . 2]" 1
80 1 21 GLU H 1 22 GLY H . . 4.530 2.745 2.642 2.884 . 0 0 "[ . 1 . 2]" 1
81 1 21 GLU HA 1 21 GLU HG2 . . 3.650 3.061 2.253 3.715 0.065 13 0 "[ . 1 . 2]" 1
82 1 21 GLU HB3 1 22 GLY H . . 4.320 3.365 2.320 4.032 . 0 0 "[ . 1 . 2]" 1
83 1 22 GLY H 1 23 GLU H . . 4.480 2.764 2.600 2.858 . 0 0 "[ . 1 . 2]" 1
84 1 22 GLY H 1 107 TYR QD . . 7.320 5.143 4.033 6.417 . 0 0 "[ . 1 . 2]" 1
85 1 22 GLY HA2 1 107 TYR HB2 . . 4.310 3.567 2.870 4.036 . 0 0 "[ . 1 . 2]" 1
86 1 22 GLY HA2 1 107 TYR HB3 . . 4.740 4.582 3.699 4.811 0.071 13 0 "[ . 1 . 2]" 1
87 1 22 GLY HA3 1 23 GLU HA . . 4.490 4.397 4.341 4.448 . 0 0 "[ . 1 . 2]" 1
88 1 22 GLY HA3 1 107 TYR HB2 . . 4.570 2.754 2.235 3.168 . 0 0 "[ . 1 . 2]" 1
89 1 22 GLY HA3 1 107 TYR HB3 . . 5.050 4.225 3.317 4.799 . 0 0 "[ . 1 . 2]" 1
90 1 22 GLY HA3 1 107 TYR QD . . 7.050 3.697 2.584 4.895 . 0 0 "[ . 1 . 2]" 1
91 1 23 GLU H 1 23 GLU HG2 . . 4.720 4.397 4.296 4.500 . 0 0 "[ . 1 . 2]" 1
92 1 23 GLU H 1 24 LYS H . . 4.120 2.729 2.609 2.822 . 0 0 "[ . 1 . 2]" 1
93 1 23 GLU HA 1 23 GLU HG2 . . 4.230 3.238 3.069 3.411 . 0 0 "[ . 1 . 2]" 1
94 1 23 GLU HA 1 107 TYR QD . . 6.320 2.788 2.173 3.510 . 0 0 "[ . 1 . 2]" 1
95 1 23 GLU HA 1 107 TYR QE . . 6.830 3.470 2.431 4.110 . 0 0 "[ . 1 . 2]" 1
96 1 23 GLU HB2 1 107 TYR QD . . 6.970 3.088 2.426 4.271 . 0 0 "[ . 1 . 2]" 1
97 1 23 GLU HB2 1 107 TYR QE . . 6.450 2.992 2.212 4.734 . 0 0 "[ . 1 . 2]" 1
98 1 23 GLU HB3 1 24 LYS H . . 4.200 2.707 2.468 2.923 . 0 0 "[ . 1 . 2]" 1
99 1 23 GLU HG2 1 24 LYS HA . . 3.440 3.496 3.476 3.513 0.073 4 0 "[ . 1 . 2]" 1
100 1 23 GLU HG2 1 107 TYR QD . . 7.200 5.389 4.730 6.100 . 0 0 "[ . 1 . 2]" 1
101 1 23 GLU HG2 1 107 TYR QE . . 7.100 4.977 4.166 6.382 . 0 0 "[ . 1 . 2]" 1
102 1 24 LYS H 1 24 LYS HB2 . . 3.560 2.379 2.112 2.634 . 0 0 "[ . 1 . 2]" 1
103 1 24 LYS HB3 2 9 GLU HB2 . . 5.280 4.672 3.892 5.344 0.064 2 0 "[ . 1 . 2]" 1
104 1 24 LYS HB3 2 9 GLU HB3 . . 5.600 5.607 5.213 5.665 0.065 8 0 "[ . 1 . 2]" 1
105 1 25 ILE HB 1 28 LYS HB3 . . 5.900 5.374 4.946 5.953 0.053 18 0 "[ . 1 . 2]" 1
106 1 25 ILE MG 1 29 TYR QD . . 8.100 4.193 2.122 6.307 . 0 0 "[ . 1 . 2]" 1
107 1 25 ILE MG 1 34 PRO HD3 . . 5.330 2.777 2.044 3.903 . 0 0 "[ . 1 . 2]" 1
108 1 25 ILE MG 1 54 LEU MD1 . . 6.570 3.010 1.883 4.214 . 0 0 "[ . 1 . 2]" 1
109 1 25 ILE MG 2 9 GLU H . . 7.100 5.177 3.992 6.020 . 0 0 "[ . 1 . 2]" 1
110 1 25 ILE MG 2 9 GLU QG . . 7.800 5.247 3.319 6.690 . 0 0 "[ . 1 . 2]" 1
111 1 25 ILE HG12 1 54 LEU MD1 . . 5.600 3.215 2.147 5.583 . 0 0 "[ . 1 . 2]" 1
112 1 25 ILE HG12 2 9 GLU HB2 . . 5.500 4.638 2.612 5.561 0.061 10 0 "[ . 1 . 2]" 1
113 1 25 ILE HG12 2 9 GLU HB3 . . 5.500 4.437 3.078 5.537 0.037 17 0 "[ . 1 . 2]" 1
114 1 25 ILE MD 1 28 LYS HB3 . . 4.700 3.186 2.533 4.205 . 0 0 "[ . 1 . 2]" 1
115 1 25 ILE MD 1 29 TYR QD . . 7.330 2.626 1.953 4.474 . 0 0 "[ . 1 . 2]" 1
116 1 25 ILE MD 1 29 TYR QE . . 7.430 3.109 2.139 5.101 . 0 0 "[ . 1 . 2]" 1
117 1 25 ILE MD 1 54 LEU MD1 . . 6.340 2.616 1.965 3.414 . 0 0 "[ . 1 . 2]" 1
118 1 25 ILE MD 2 8 SER HB2 . . 4.820 2.963 2.101 4.318 . 0 0 "[ . 1 . 2]" 1
119 1 25 ILE MD 2 8 SER HB3 . . 6.330 3.766 2.038 5.318 . 0 0 "[ . 1 . 2]" 1
120 1 25 ILE MD 2 9 GLU H . . 6.300 3.173 1.722 4.445 . 0 0 "[ . 1 . 2]" 1
121 1 25 ILE MD 2 9 GLU HB2 . . 6.600 3.855 2.237 5.075 . 0 0 "[ . 1 . 2]" 1
122 1 25 ILE MD 2 9 GLU HB3 . . 6.600 3.759 2.166 4.901 . 0 0 "[ . 1 . 2]" 1
123 1 25 ILE MD 2 9 GLU QG . . 6.800 4.599 3.032 6.004 . 0 0 "[ . 1 . 2]" 1
124 1 25 ILE MD 2 11 TYR QD . . 7.650 3.995 2.188 5.293 . 0 0 "[ . 1 . 2]" 1
125 1 26 ARG HA 1 26 ARG HD2 . . 3.790 3.127 2.251 3.856 0.066 2 0 "[ . 1 . 2]" 1
126 1 26 ARG HA 1 107 TYR QE . . 7.100 6.755 5.939 7.163 0.063 2 0 "[ . 1 . 2]" 1
127 1 26 ARG HB3 1 107 TYR QD . . 6.850 3.771 2.393 4.417 . 0 0 "[ . 1 . 2]" 1
128 1 26 ARG HB3 1 107 TYR QE . . 6.360 4.617 3.661 5.694 . 0 0 "[ . 1 . 2]" 1
129 1 26 ARG QG 1 107 TYR HB3 . . 5.120 3.017 2.220 4.801 . 0 0 "[ . 1 . 2]" 1
130 1 26 ARG QG 1 107 TYR QD . . 7.580 2.875 2.369 4.210 . 0 0 "[ . 1 . 2]" 1
131 1 26 ARG QG 1 107 TYR QE . . 7.230 3.665 2.716 4.231 . 0 0 "[ . 1 . 2]" 1
132 1 26 ARG HD2 1 27 LYS HA . . 4.510 3.863 2.773 4.573 0.063 1 0 "[ . 1 . 2]" 1
133 1 26 ARG HD3 1 107 TYR QE . . 5.880 4.753 2.828 5.953 0.073 1 0 "[ . 1 . 2]" 1
134 1 27 LYS H 1 27 LYS HB2 . . 3.470 2.394 2.185 2.630 . 0 0 "[ . 1 . 2]" 1
135 1 27 LYS H 1 28 LYS H . . 3.760 2.689 2.491 2.798 . 0 0 "[ . 1 . 2]" 1
136 1 27 LYS HA 1 30 PRO HA . . 5.500 4.732 4.347 5.230 . 0 0 "[ . 1 . 2]" 1
137 1 27 LYS HA 1 30 PRO HB2 . . 5.920 5.620 5.156 5.988 0.068 17 0 "[ . 1 . 2]" 1
138 1 27 LYS HB2 1 28 LYS H . . 3.750 3.202 2.728 3.807 0.057 3 0 "[ . 1 . 2]" 1
139 1 27 LYS HB2 1 28 LYS HA . . 5.500 4.848 4.307 5.567 0.067 9 0 "[ . 1 . 2]" 1
140 1 27 LYS HG2 1 28 LYS H . . 5.130 4.913 4.038 5.199 0.069 12 0 "[ . 1 . 2]" 1
141 1 27 LYS HG2 1 107 TYR QE . . 7.310 6.389 4.644 7.387 0.077 4 0 "[ . 1 . 2]" 1
142 1 27 LYS HD2 1 27 LYS HG3 . . 2.400 2.415 2.355 2.459 0.059 19 0 "[ . 1 . 2]" 1
143 1 27 LYS HG3 1 107 TYR QE . . 7.200 5.952 4.785 7.154 . 0 0 "[ . 1 . 2]" 1
144 1 27 LYS QE 1 107 TYR QE . . 8.180 5.768 2.903 8.222 0.042 9 0 "[ . 1 . 2]" 1
145 1 28 LYS H 1 28 LYS HB2 . . 3.590 2.452 2.224 2.703 . 0 0 "[ . 1 . 2]" 1
146 1 28 LYS H 1 28 LYS HB3 . . 3.730 2.698 2.359 3.028 . 0 0 "[ . 1 . 2]" 1
147 1 28 LYS H 1 28 LYS HG2 . . 4.780 4.534 4.113 4.717 . 0 0 "[ . 1 . 2]" 1
148 1 28 LYS H 1 28 LYS HG3 . . 5.010 4.465 4.308 4.722 . 0 0 "[ . 1 . 2]" 1
149 1 28 LYS H 1 28 LYS HD3 . . 5.500 5.162 4.781 5.574 0.074 16 0 "[ . 1 . 2]" 1
150 1 28 LYS HA 1 28 LYS HG2 . . 3.910 3.231 2.169 3.894 . 0 0 "[ . 1 . 2]" 1
151 1 28 LYS HA 1 28 LYS HD2 . . 3.890 3.720 2.265 3.957 0.067 5 0 "[ . 1 . 2]" 1
152 1 28 LYS HA 1 28 LYS HD3 . . 5.060 3.680 2.323 4.625 . 0 0 "[ . 1 . 2]" 1
153 1 28 LYS HB2 1 29 TYR QD . . 6.640 4.785 3.979 5.393 . 0 0 "[ . 1 . 2]" 1
154 1 28 LYS HB2 1 29 TYR QE . . 6.870 5.159 4.412 6.097 . 0 0 "[ . 1 . 2]" 1
155 1 28 LYS HB2 2 8 SER HB2 . . 4.560 4.300 3.508 4.627 0.067 9 0 "[ . 1 . 2]" 1
156 1 28 LYS HB3 1 29 TYR QD . . 6.270 3.243 2.339 3.989 . 0 0 "[ . 1 . 2]" 1
157 1 28 LYS HB3 1 29 TYR QE . . 7.420 3.981 3.183 4.567 . 0 0 "[ . 1 . 2]" 1
158 1 28 LYS HB3 2 8 SER HB2 . . 4.630 4.228 3.474 4.694 0.064 4 0 "[ . 1 . 2]" 1
159 1 28 LYS HG2 1 29 TYR QD . . 6.740 3.908 2.413 5.559 . 0 0 "[ . 1 . 2]" 1
160 1 28 LYS HG2 1 29 TYR QE . . 6.650 3.573 2.541 5.989 . 0 0 "[ . 1 . 2]" 1
161 1 28 LYS HG3 1 29 TYR QD . . 7.500 4.226 3.073 5.319 . 0 0 "[ . 1 . 2]" 1
162 1 28 LYS HG3 1 29 TYR QE . . 6.650 4.050 3.045 5.350 . 0 0 "[ . 1 . 2]" 1
163 1 28 LYS HD2 2 8 SER H . . 5.600 5.375 3.382 5.664 0.064 11 0 "[ . 1 . 2]" 1
164 1 28 LYS HD3 1 29 TYR QD . . 6.890 4.655 2.868 5.843 . 0 0 "[ . 1 . 2]" 1
165 1 28 LYS HD3 1 29 TYR QE . . 5.990 4.018 2.922 5.360 . 0 0 "[ . 1 . 2]" 1
166 1 28 LYS QE 1 29 TYR QE . . 7.300 3.930 2.147 5.868 . 0 0 "[ . 1 . 2]" 1
167 1 29 TYR H 1 30 PRO HD3 . . 4.910 3.534 3.204 3.936 . 0 0 "[ . 1 . 2]" 1
168 1 29 TYR HA 1 30 PRO HD2 . . 3.470 2.189 2.049 2.389 . 0 0 "[ . 1 . 2]" 1
169 1 29 TYR HA 1 30 PRO HD3 . . 3.800 2.986 2.714 3.248 . 0 0 "[ . 1 . 2]" 1
170 1 29 TYR HA 1 31 ASP H . . 4.700 3.378 3.078 3.804 . 0 0 "[ . 1 . 2]" 1
171 1 29 TYR HB2 1 32 ARG H . . 4.770 3.944 2.967 4.345 . 0 0 "[ . 1 . 2]" 1
172 1 29 TYR HB3 1 32 ARG H . . 4.390 3.447 2.435 3.886 . 0 0 "[ . 1 . 2]" 1
173 1 29 TYR QD 1 54 LEU MD1 . . 7.950 3.609 2.276 5.186 . 0 0 "[ . 1 . 2]" 1
174 1 29 TYR QD 2 8 SER HB2 . . 6.930 5.120 3.776 6.379 . 0 0 "[ . 1 . 2]" 1
175 1 29 TYR QD 2 13 ILE HG13 . . 6.900 6.435 5.105 6.969 0.069 12 0 "[ . 1 . 2]" 1
176 1 29 TYR QE 1 54 LEU MD1 . . 7.950 4.416 3.166 6.108 . 0 0 "[ . 1 . 2]" 1
177 1 29 TYR QE 2 8 SER HB2 . . 7.080 4.350 2.384 6.289 . 0 0 "[ . 1 . 2]" 1
178 1 29 TYR QE 2 13 ILE HG13 . . 6.600 5.863 4.261 6.669 0.069 18 0 "[ . 1 . 2]" 1
179 1 29 TYR QE 2 13 ILE MD . . 6.950 3.902 2.578 5.253 . 0 0 "[ . 1 . 2]" 1
180 1 30 PRO HA 1 31 ASP HA . . 4.800 4.779 4.623 4.861 0.061 14 0 "[ . 1 . 2]" 1
181 1 30 PRO HA 1 32 ARG H . . 4.670 3.646 3.198 4.130 . 0 0 "[ . 1 . 2]" 1
182 1 30 PRO QG 1 31 ASP H . . 4.680 2.907 2.449 3.422 . 0 0 "[ . 1 . 2]" 1
183 1 30 PRO HD2 1 31 ASP H . . 4.160 2.959 2.368 3.347 . 0 0 "[ . 1 . 2]" 1
184 1 30 PRO HD2 1 32 ARG H . . 5.020 4.953 4.386 5.079 0.059 6 0 "[ . 1 . 2]" 1
185 1 30 PRO HD3 1 31 ASP H . . 4.680 4.043 3.689 4.306 . 0 0 "[ . 1 . 2]" 1
186 1 31 ASP H 1 31 ASP HB2 . . 3.960 2.647 2.136 3.817 . 0 0 "[ . 1 . 2]" 1
187 1 31 ASP H 1 31 ASP HB3 . . 3.850 3.220 2.205 3.751 . 0 0 "[ . 1 . 2]" 1
188 1 31 ASP H 1 32 ARG H . . 3.430 2.540 2.225 2.869 . 0 0 "[ . 1 . 2]" 1
189 1 32 ARG H 1 32 ARG HB2 . . 3.980 2.945 2.490 3.889 . 0 0 "[ . 1 . 2]" 1
190 1 32 ARG H 1 32 ARG HB3 . . 4.130 3.673 2.898 3.895 . 0 0 "[ . 1 . 2]" 1
191 1 32 ARG H 1 33 VAL H . . 5.180 4.451 4.318 4.537 . 0 0 "[ . 1 . 2]" 1
192 1 32 ARG HB3 1 33 VAL H . . 4.900 2.889 2.464 3.912 . 0 0 "[ . 1 . 2]" 1
193 1 33 VAL HA 1 34 PRO HD3 . . 3.620 2.214 2.120 2.284 . 0 0 "[ . 1 . 2]" 1
194 1 33 VAL HB 1 34 PRO HD2 . . 4.580 3.186 2.289 4.373 . 0 0 "[ . 1 . 2]" 1
195 1 33 VAL HB 1 99 TYR HB2 . . 5.320 3.823 2.945 4.523 . 0 0 "[ . 1 . 2]" 1
196 1 33 VAL HB 1 99 TYR HB3 . . 5.310 4.738 3.951 5.368 0.058 8 0 "[ . 1 . 2]" 1
197 1 33 VAL MG1 1 95 MET HB2 . . 6.260 4.956 3.479 6.273 0.013 7 0 "[ . 1 . 2]" 1
198 1 33 VAL MG1 1 95 MET ME . . 6.600 4.057 1.934 6.094 . 0 0 "[ . 1 . 2]" 1
199 1 33 VAL MG1 1 96 GLY HA2 . . 5.750 3.974 2.506 4.519 . 0 0 "[ . 1 . 2]" 1
200 1 33 VAL MG1 1 96 GLY HA3 . . 5.900 5.251 3.692 5.976 0.076 6 0 "[ . 1 . 2]" 1
201 1 33 VAL MG1 1 99 TYR H . . 6.500 4.889 4.360 5.673 . 0 0 "[ . 1 . 2]" 1
202 1 33 VAL MG1 1 99 TYR HB2 . . 5.030 2.901 2.226 3.741 . 0 0 "[ . 1 . 2]" 1
203 1 33 VAL MG1 1 99 TYR HB3 . . 5.350 3.365 2.640 3.723 . 0 0 "[ . 1 . 2]" 1
204 1 33 VAL MG1 1 99 TYR QD . . 7.490 2.968 2.441 3.551 . 0 0 "[ . 1 . 2]" 1
205 1 34 PRO HA 1 35 VAL MG2 . . 5.800 3.571 3.244 3.934 . 0 0 "[ . 1 . 2]" 1
206 1 34 PRO HA 1 54 LEU HA . . 4.020 2.386 2.229 2.595 . 0 0 "[ . 1 . 2]" 1
207 1 34 PRO HA 1 54 LEU HB3 . . 5.230 4.676 4.400 5.119 . 0 0 "[ . 1 . 2]" 1
208 1 34 PRO HA 1 54 LEU MD1 . . 5.570 3.328 1.998 4.392 . 0 0 "[ . 1 . 2]" 1
209 1 34 PRO HB2 1 54 LEU MD1 . . 6.600 4.336 3.175 5.259 . 0 0 "[ . 1 . 2]" 1
210 1 34 PRO HB3 1 54 LEU HG . . 4.370 3.581 2.628 4.427 0.057 19 0 "[ . 1 . 2]" 1
211 1 34 PRO HB3 1 54 LEU MD1 . . 5.600 3.007 1.988 3.976 . 0 0 "[ . 1 . 2]" 1
212 1 34 PRO HB3 2 11 TYR QE . . 6.760 3.336 2.410 5.317 . 0 0 "[ . 1 . 2]" 1
213 1 34 PRO HG2 1 108 PHE HA . . 4.740 2.113 1.981 2.223 . 0 0 "[ . 1 . 2]" 1
214 1 34 PRO HG2 1 109 LEU H . . 5.240 3.446 2.923 3.801 . 0 0 "[ . 1 . 2]" 1
215 1 35 VAL H 1 53 TYR HB3 . . 4.410 4.385 3.508 4.476 0.066 6 0 "[ . 1 . 2]" 1
216 1 35 VAL H 1 54 LEU HA . . 4.570 3.018 2.562 3.420 . 0 0 "[ . 1 . 2]" 1
217 1 35 VAL HA 1 36 ILE H . . 3.330 2.163 2.065 2.244 . 0 0 "[ . 1 . 2]" 1
218 1 35 VAL HA 1 95 MET ME . . 5.900 5.046 4.492 5.972 0.072 10 0 "[ . 1 . 2]" 1
219 1 35 VAL HA 1 109 LEU H . . 4.730 2.886 2.486 3.314 . 0 0 "[ . 1 . 2]" 1
220 1 35 VAL HA 1 109 LEU HB2 . . 4.430 3.585 2.800 4.028 . 0 0 "[ . 1 . 2]" 1
221 1 35 VAL HA 1 109 LEU HB3 . . 4.590 3.108 2.314 4.202 . 0 0 "[ . 1 . 2]" 1
222 1 35 VAL HA 1 111 VAL MG1 . . 6.020 4.938 4.058 6.101 0.081 2 0 "[ . 1 . 2]" 1
223 1 35 VAL HB 1 36 ILE H . . 4.950 4.145 3.853 4.417 . 0 0 "[ . 1 . 2]" 1
224 1 35 VAL HB 1 53 TYR H . . 5.200 4.086 3.483 4.662 . 0 0 "[ . 1 . 2]" 1
225 1 35 VAL HB 1 53 TYR HB3 . . 4.240 3.876 2.995 4.293 0.053 4 0 "[ . 1 . 2]" 1
226 1 35 VAL HB 1 53 TYR QD . . 7.700 4.806 4.250 5.604 . 0 0 "[ . 1 . 2]" 1
227 1 35 VAL HB 1 95 MET ME . . 5.190 4.228 3.635 4.766 . 0 0 "[ . 1 . 2]" 1
228 1 35 VAL MG1 1 36 ILE H . . 4.700 2.636 2.437 2.863 . 0 0 "[ . 1 . 2]" 1
229 1 35 VAL MG1 1 36 ILE HB . . 5.900 4.541 4.089 4.815 . 0 0 "[ . 1 . 2]" 1
230 1 35 VAL MG1 1 37 VAL HA . . 6.360 3.880 3.526 4.588 . 0 0 "[ . 1 . 2]" 1
231 1 35 VAL MG1 1 53 TYR HB2 . . 5.610 3.920 3.150 5.210 . 0 0 "[ . 1 . 2]" 1
232 1 35 VAL MG1 1 53 TYR QD . . 7.730 4.732 3.855 5.511 . 0 0 "[ . 1 . 2]" 1
233 1 35 VAL MG1 1 64 PHE QE . . 7.470 4.078 3.439 5.282 . 0 0 "[ . 1 . 2]" 1
234 1 35 VAL MG1 1 64 PHE HZ . . 5.900 4.014 2.949 5.536 . 0 0 "[ . 1 . 2]" 1
235 1 35 VAL MG1 1 95 MET ME . . 4.600 3.069 2.369 3.467 . 0 0 "[ . 1 . 2]" 1
236 1 35 VAL MG1 1 109 LEU H . . 6.360 4.416 3.808 5.358 . 0 0 "[ . 1 . 2]" 1
237 1 35 VAL MG1 1 109 LEU HB2 . . 5.300 4.048 2.893 4.907 . 0 0 "[ . 1 . 2]" 1
238 1 35 VAL MG1 1 109 LEU HB3 . . 4.930 2.934 2.134 3.859 . 0 0 "[ . 1 . 2]" 1
239 1 35 VAL MG1 1 110 TYR HA . . 5.710 3.808 3.306 4.579 . 0 0 "[ . 1 . 2]" 1
240 1 35 VAL MG1 1 111 VAL H . . 5.890 3.480 3.139 3.862 . 0 0 "[ . 1 . 2]" 1
241 1 35 VAL MG2 1 36 ILE H . . 5.710 4.048 3.851 4.317 . 0 0 "[ . 1 . 2]" 1
242 1 35 VAL MG2 1 53 TYR HB3 . . 5.730 4.855 4.171 5.281 . 0 0 "[ . 1 . 2]" 1
243 1 35 VAL MG2 1 53 TYR QD . . 7.900 5.698 4.491 6.356 . 0 0 "[ . 1 . 2]" 1
244 1 35 VAL MG2 1 54 LEU HA . . 5.520 3.693 3.078 4.254 . 0 0 "[ . 1 . 2]" 1
245 1 35 VAL MG2 1 95 MET HB3 . . 5.040 4.286 3.526 4.784 . 0 0 "[ . 1 . 2]" 1
246 1 35 VAL MG2 1 95 MET HG3 . . 5.770 4.439 3.939 5.535 . 0 0 "[ . 1 . 2]" 1
247 1 35 VAL MG2 1 95 MET ME . . 4.070 2.226 1.932 3.020 . 0 0 "[ . 1 . 2]" 1
248 1 35 VAL MG2 1 109 LEU H . . 6.270 3.856 3.032 4.236 . 0 0 "[ . 1 . 2]" 1
249 1 35 VAL MG2 1 109 LEU HB2 . . 5.200 2.875 2.205 3.610 . 0 0 "[ . 1 . 2]" 1
250 1 36 ILE H 1 36 ILE HB . . 3.800 2.634 2.370 3.048 . 0 0 "[ . 1 . 2]" 1
251 1 36 ILE H 1 37 VAL H . . 4.680 4.425 4.246 4.593 . 0 0 "[ . 1 . 2]" 1
252 1 36 ILE H 1 108 PHE QD . . 7.270 4.391 3.510 5.346 . 0 0 "[ . 1 . 2]" 1
253 1 36 ILE H 1 109 LEU H . . 5.200 3.846 3.618 4.363 . 0 0 "[ . 1 . 2]" 1
254 1 36 ILE H 1 109 LEU HB2 . . 5.200 5.080 4.238 5.268 0.068 13 0 "[ . 1 . 2]" 1
255 1 36 ILE H 1 110 TYR HA . . 4.160 2.872 2.522 3.220 . 0 0 "[ . 1 . 2]" 1
256 1 36 ILE H 1 111 VAL H . . 4.390 3.703 3.268 3.989 . 0 0 "[ . 1 . 2]" 1
257 1 36 ILE H 1 111 VAL MG1 . . 5.680 4.452 3.584 5.662 . 0 0 "[ . 1 . 2]" 1
258 1 36 ILE HA 1 36 ILE MD . . 4.790 3.290 2.132 4.045 . 0 0 "[ . 1 . 2]" 1
259 1 36 ILE HA 1 37 VAL HB . . 4.920 4.494 4.231 4.766 . 0 0 "[ . 1 . 2]" 1
260 1 36 ILE HA 1 37 VAL MG2 . . 5.380 3.866 3.366 5.449 0.069 4 0 "[ . 1 . 2]" 1
261 1 36 ILE HB 1 110 TYR HA . . 4.190 2.738 2.108 3.255 . 0 0 "[ . 1 . 2]" 1
262 1 36 ILE HB 1 110 TYR QD . . 6.470 3.488 2.532 5.366 . 0 0 "[ . 1 . 2]" 1
263 1 36 ILE HB 1 111 VAL H . . 4.430 3.756 2.884 4.283 . 0 0 "[ . 1 . 2]" 1
264 1 36 ILE HB 1 111 VAL MG1 . . 6.600 5.525 4.694 6.664 0.064 14 0 "[ . 1 . 2]" 1
265 1 36 ILE MG 1 37 VAL H . . 5.400 2.729 2.349 3.197 . 0 0 "[ . 1 . 2]" 1
266 1 36 ILE MG 1 37 VAL HA . . 6.380 4.102 3.880 4.408 . 0 0 "[ . 1 . 2]" 1
267 1 36 ILE MG 1 38 GLU HB3 . . 5.900 4.507 2.970 5.812 . 0 0 "[ . 1 . 2]" 1
268 1 36 ILE MG 1 38 GLU QG . . 5.860 4.344 2.339 5.716 . 0 0 "[ . 1 . 2]" 1
269 1 36 ILE MG 1 110 TYR QD . . 7.650 3.770 2.464 6.124 . 0 0 "[ . 1 . 2]" 1
270 1 36 ILE MG 1 111 VAL H . . 5.390 4.368 3.573 5.046 . 0 0 "[ . 1 . 2]" 1
271 1 36 ILE QG 1 52 LYS HA . . 5.560 3.669 2.606 5.061 . 0 0 "[ . 1 . 2]" 1
272 1 36 ILE QG 1 109 LEU H . . 6.600 4.142 3.382 5.197 . 0 0 "[ . 1 . 2]" 1
273 1 36 ILE QG 2 11 TYR QE . . 7.250 5.367 3.911 6.591 . 0 0 "[ . 1 . 2]" 1
274 1 36 ILE MD 1 37 VAL H . . 6.300 4.801 3.841 5.405 . 0 0 "[ . 1 . 2]" 1
275 1 36 ILE MD 1 52 LYS HA . . 5.670 4.018 2.151 5.618 . 0 0 "[ . 1 . 2]" 1
276 1 36 ILE MD 1 52 LYS HB3 . . 5.600 4.563 2.754 5.673 0.073 5 0 "[ . 1 . 2]" 1
277 1 36 ILE MD 1 53 TYR H . . 6.400 4.830 2.711 6.488 0.088 1 0 "[ . 1 . 2]" 1
278 1 36 ILE MD 1 108 PHE HA . . 5.940 4.818 3.454 5.956 0.016 8 0 "[ . 1 . 2]" 1
279 1 36 ILE MD 1 108 PHE HB3 . . 5.580 3.472 2.070 5.646 0.066 15 0 "[ . 1 . 2]" 1
280 1 36 ILE MD 1 108 PHE QD . . 7.900 2.800 2.064 4.279 . 0 0 "[ . 1 . 2]" 1
281 1 37 VAL H 1 53 TYR QD . . 6.900 3.635 2.343 5.793 . 0 0 "[ . 1 . 2]" 1
282 1 37 VAL HA 1 38 GLU H . . 3.460 2.214 2.095 2.298 . 0 0 "[ . 1 . 2]" 1
283 1 37 VAL HA 1 38 GLU HA . . 4.900 4.465 4.420 4.505 . 0 0 "[ . 1 . 2]" 1
284 1 37 VAL HA 1 111 VAL H . . 4.510 3.405 3.093 3.952 . 0 0 "[ . 1 . 2]" 1
285 1 37 VAL HA 1 111 VAL HB . . 5.200 4.377 2.970 5.228 0.028 5 0 "[ . 1 . 2]" 1
286 1 37 VAL HA 1 111 VAL MG2 . . 6.140 4.023 2.149 5.013 . 0 0 "[ . 1 . 2]" 1
287 1 37 VAL HA 1 112 ALA HA . . 5.120 4.273 3.914 4.759 . 0 0 "[ . 1 . 2]" 1
288 1 37 VAL HB 1 53 TYR QD . . 6.690 3.456 2.647 4.948 . 0 0 "[ . 1 . 2]" 1
289 1 37 VAL HB 1 53 TYR QE . . 6.250 3.554 2.204 5.958 . 0 0 "[ . 1 . 2]" 1
290 1 37 VAL MG1 1 38 GLU H . . 5.020 3.073 2.535 4.176 . 0 0 "[ . 1 . 2]" 1
291 1 37 VAL MG1 1 68 ILE MD . . 6.300 3.901 2.823 4.953 . 0 0 "[ . 1 . 2]" 1
292 1 37 VAL MG1 1 112 ALA HA . . 6.000 4.506 3.749 5.738 . 0 0 "[ . 1 . 2]" 1
293 1 37 VAL MG1 1 113 TYR H . . 5.780 4.724 4.076 5.860 0.080 4 0 "[ . 1 . 2]" 1
294 1 37 VAL MG1 1 113 TYR QD . . 6.640 2.792 2.098 4.280 . 0 0 "[ . 1 . 2]" 1
295 1 37 VAL MG1 1 113 TYR QE . . 6.580 2.476 2.111 3.964 . 0 0 "[ . 1 . 2]" 1
296 1 37 VAL MG2 1 53 TYR QD . . 6.680 2.896 2.150 4.953 . 0 0 "[ . 1 . 2]" 1
297 1 37 VAL MG2 1 53 TYR QE . . 6.860 3.680 2.270 5.610 . 0 0 "[ . 1 . 2]" 1
298 1 37 VAL MG2 1 64 PHE QE . . 7.020 3.717 2.762 4.807 . 0 0 "[ . 1 . 2]" 1
299 1 37 VAL MG2 1 64 PHE HZ . . 4.790 3.202 2.347 4.743 . 0 0 "[ . 1 . 2]" 1
300 1 37 VAL MG2 1 68 ILE MD . . 6.170 3.747 2.784 4.798 . 0 0 "[ . 1 . 2]" 1
301 1 37 VAL MG2 1 111 VAL H . . 6.100 4.499 4.063 5.015 . 0 0 "[ . 1 . 2]" 1
302 1 37 VAL MG2 1 111 VAL HB . . 6.600 4.135 2.312 5.063 . 0 0 "[ . 1 . 2]" 1
303 1 38 GLU H 1 112 ALA HA . . 4.080 2.638 2.328 3.007 . 0 0 "[ . 1 . 2]" 1
304 1 38 GLU H 1 112 ALA MB . . 5.550 3.979 3.422 4.484 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLU H 1 113 TYR H . . 5.230 4.049 3.860 4.192 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLU H 1 113 TYR QD . . 7.380 3.456 2.964 4.091 . 0 0 "[ . 1 . 2]" 1
307 1 38 GLU HA 1 39 LYS H . . 3.540 2.282 2.190 2.408 . 0 0 "[ . 1 . 2]" 1
308 1 38 GLU HA 1 113 TYR QE . . 6.610 3.941 2.951 5.139 . 0 0 "[ . 1 . 2]" 1
309 1 38 GLU HB2 1 39 LYS H . . 4.200 3.784 2.748 4.254 0.054 18 0 "[ . 1 . 2]" 1
310 1 38 GLU HB3 1 39 LYS H . . 4.590 3.808 2.649 4.239 . 0 0 "[ . 1 . 2]" 1
311 1 38 GLU HB3 1 112 ALA HA . . 4.980 3.685 2.530 4.954 . 0 0 "[ . 1 . 2]" 1
312 1 38 GLU HB3 1 112 ALA MB . . 5.650 3.667 2.470 5.241 . 0 0 "[ . 1 . 2]" 1
313 1 38 GLU QG 1 39 LYS H . . 5.330 3.083 2.260 4.413 . 0 0 "[ . 1 . 2]" 1
314 1 39 LYS H 1 39 LYS HB3 . . 3.410 2.669 2.427 3.019 . 0 0 "[ . 1 . 2]" 1
315 1 39 LYS H 1 39 LYS HD3 . . 6.000 4.551 3.954 5.829 . 0 0 "[ . 1 . 2]" 1
316 1 39 LYS H 1 113 TYR QE . . 6.650 4.001 3.280 5.133 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS HA 1 39 LYS HD3 . . 4.330 4.037 3.143 4.389 0.059 20 0 "[ . 1 . 2]" 1
318 1 39 LYS HA 1 40 ALA H . . 3.380 2.204 2.150 2.278 . 0 0 "[ . 1 . 2]" 1
319 1 39 LYS HA 1 40 ALA HA . . 5.300 4.434 4.355 4.465 . 0 0 "[ . 1 . 2]" 1
320 1 39 LYS HA 1 40 ALA MB . . 5.590 3.877 3.764 3.973 . 0 0 "[ . 1 . 2]" 1
321 1 39 LYS HA 1 112 ALA HA . . 4.800 4.353 4.025 4.694 . 0 0 "[ . 1 . 2]" 1
322 1 39 LYS HA 1 113 TYR H . . 3.920 2.824 2.612 3.236 . 0 0 "[ . 1 . 2]" 1
323 1 39 LYS HA 1 113 TYR QD . . 7.150 3.309 2.853 3.609 . 0 0 "[ . 1 . 2]" 1
324 1 39 LYS HA 1 113 TYR QE . . 6.600 3.377 2.820 3.948 . 0 0 "[ . 1 . 2]" 1
325 1 39 LYS HB3 1 39 LYS HD3 . . 3.910 3.771 3.395 3.954 0.044 2 0 "[ . 1 . 2]" 1
326 1 39 LYS HB3 1 39 LYS HE3 . . 3.600 3.497 2.378 3.658 0.058 17 0 "[ . 1 . 2]" 1
327 1 39 LYS HB3 1 113 TYR QE . . 6.310 3.389 2.560 4.764 . 0 0 "[ . 1 . 2]" 1
328 1 39 LYS QG 1 40 ALA H . . 4.810 4.048 2.585 4.492 . 0 0 "[ . 1 . 2]" 1
329 1 39 LYS QG 1 113 TYR QE . . 7.390 4.152 2.847 4.846 . 0 0 "[ . 1 . 2]" 1
330 1 39 LYS HD2 1 40 ALA MB . . 5.900 5.569 4.444 5.977 0.077 12 0 "[ . 1 . 2]" 1
331 1 39 LYS HD2 1 43 ALA MB . . 5.100 4.480 3.455 5.175 0.075 15 0 "[ . 1 . 2]" 1
332 1 39 LYS HD3 1 40 ALA H . . 4.470 3.709 2.783 4.094 . 0 0 "[ . 1 . 2]" 1
333 1 39 LYS HD3 1 40 ALA MB . . 5.900 4.540 3.983 4.866 . 0 0 "[ . 1 . 2]" 1
334 1 39 LYS HE2 1 43 ALA H . . 4.520 4.158 3.004 4.582 0.062 3 0 "[ . 1 . 2]" 1
335 1 39 LYS HE2 1 43 ALA MB . . 5.120 3.048 2.131 3.944 . 0 0 "[ . 1 . 2]" 1
336 1 40 ALA H 1 41 PRO HD2 . . 5.330 4.851 4.689 4.938 . 0 0 "[ . 1 . 2]" 1
337 1 40 ALA H 1 43 ALA MB . . 5.470 3.384 3.072 3.715 . 0 0 "[ . 1 . 2]" 1
338 1 40 ALA H 1 113 TYR H . . 4.100 3.264 2.846 3.751 . 0 0 "[ . 1 . 2]" 1
339 1 40 ALA H 1 113 TYR QD . . 7.190 4.477 3.631 4.900 . 0 0 "[ . 1 . 2]" 1
340 1 40 ALA H 1 113 TYR QE . . 7.250 5.060 4.365 5.530 . 0 0 "[ . 1 . 2]" 1
341 1 40 ALA HA 1 41 PRO HG3 . . 4.450 4.514 4.502 4.521 0.071 9 0 "[ . 1 . 2]" 1
342 1 40 ALA HA 1 41 PRO HD2 . . 3.470 2.578 2.281 2.828 . 0 0 "[ . 1 . 2]" 1
343 1 40 ALA HA 1 41 PRO HD3 . . 3.720 2.338 2.283 2.484 . 0 0 "[ . 1 . 2]" 1
344 1 40 ALA HA 1 112 ALA MB . . 5.560 4.066 3.468 4.536 . 0 0 "[ . 1 . 2]" 1
345 1 40 ALA MB 1 41 PRO HG3 . . 5.900 4.482 4.250 4.712 . 0 0 "[ . 1 . 2]" 1
346 1 40 ALA MB 1 43 ALA H . . 6.900 4.384 3.850 5.715 . 0 0 "[ . 1 . 2]" 1
347 1 40 ALA MB 1 43 ALA MB . . 5.530 3.206 2.589 3.975 . 0 0 "[ . 1 . 2]" 1
348 1 40 ALA MB 1 113 TYR HA . . 5.840 4.381 4.021 4.761 . 0 0 "[ . 1 . 2]" 1
349 1 40 ALA MB 1 114 SER H . . 5.900 4.256 3.816 4.521 . 0 0 "[ . 1 . 2]" 1
350 1 40 ALA MB 1 114 SER HA . . 5.320 3.174 2.585 3.750 . 0 0 "[ . 1 . 2]" 1
351 1 40 ALA MB 1 114 SER HB2 . . 5.450 2.563 1.977 3.905 . 0 0 "[ . 1 . 2]" 1
352 1 40 ALA MB 1 114 SER HB3 . . 4.940 3.065 1.975 3.643 . 0 0 "[ . 1 . 2]" 1
353 1 41 PRO HA 1 43 ALA H . . 5.100 3.410 3.182 4.004 . 0 0 "[ . 1 . 2]" 1
354 1 41 PRO HB3 1 42 LYS H . . 3.830 3.559 3.123 3.904 0.074 4 0 "[ . 1 . 2]" 1
355 1 41 PRO HB3 1 42 LYS QG . . 6.000 4.696 4.005 5.946 . 0 0 "[ . 1 . 2]" 1
356 1 41 PRO HB3 1 42 LYS QE . . 5.900 5.057 3.912 5.964 0.064 18 0 "[ . 1 . 2]" 1
357 1 41 PRO HG2 1 119 TYR QE . . 7.400 6.332 3.305 7.448 0.048 4 0 "[ . 1 . 2]" 1
358 1 41 PRO HG3 1 119 TYR QD . . 6.850 5.877 4.644 6.910 0.060 11 0 "[ . 1 . 2]" 1
359 1 41 PRO HG3 1 119 TYR QE . . 7.300 6.329 3.393 7.344 0.044 4 0 "[ . 1 . 2]" 1
360 1 41 PRO HD3 1 119 TYR QD . . 7.010 6.520 5.812 7.051 0.041 11 0 "[ . 1 . 2]" 1
361 1 41 PRO HD3 1 119 TYR QE . . 7.300 7.060 5.138 7.369 0.069 4 0 "[ . 1 . 2]" 1
362 1 42 LYS H 1 43 ALA H . . 3.800 2.932 2.693 3.581 . 0 0 "[ . 1 . 2]" 1
363 1 42 LYS HB2 1 42 LYS QE . . 4.800 3.708 2.189 4.655 . 0 0 "[ . 1 . 2]" 1
364 1 42 LYS HB2 1 43 ALA H . . 4.600 3.848 3.318 4.491 . 0 0 "[ . 1 . 2]" 1
365 1 43 ALA H 1 44 ARG H . . 5.040 4.599 4.385 4.694 . 0 0 "[ . 1 . 2]" 1
366 1 43 ALA H 1 45 VAL MG2 . . 6.900 5.026 4.379 6.369 . 0 0 "[ . 1 . 2]" 1
367 1 43 ALA HA 1 44 ARG H . . 3.070 2.327 2.184 2.497 . 0 0 "[ . 1 . 2]" 1
368 1 43 ALA HA 1 45 VAL MG2 . . 5.600 4.158 3.739 4.843 . 0 0 "[ . 1 . 2]" 1
369 1 43 ALA MB 1 45 VAL H . . 4.740 3.191 2.657 3.788 . 0 0 "[ . 1 . 2]" 1
370 1 43 ALA MB 1 45 VAL MG2 . . 5.390 2.222 2.013 3.160 . 0 0 "[ . 1 . 2]" 1
371 1 43 ALA MB 1 113 TYR QD . . 8.310 4.357 3.481 4.994 . 0 0 "[ . 1 . 2]" 1
372 1 43 ALA MB 1 113 TYR QE . . 8.220 4.486 2.911 5.185 . 0 0 "[ . 1 . 2]" 1
373 1 43 ALA MB 1 114 SER H . . 6.410 4.625 4.289 5.401 . 0 0 "[ . 1 . 2]" 1
374 1 43 ALA MB 1 114 SER HA . . 4.620 2.210 1.899 3.212 . 0 0 "[ . 1 . 2]" 1
375 1 43 ALA MB 1 114 SER HB2 . . 5.460 3.707 2.762 5.292 . 0 0 "[ . 1 . 2]" 1
376 1 43 ALA MB 1 114 SER HB3 . . 5.740 3.839 2.392 5.668 . 0 0 "[ . 1 . 2]" 1
377 1 43 ALA MB 1 115 ASP H . . 4.910 2.448 1.878 3.570 . 0 0 "[ . 1 . 2]" 1
378 1 43 ALA MB 1 115 ASP HB3 . . 6.180 3.543 2.700 4.476 . 0 0 "[ . 1 . 2]" 1
379 1 43 ALA MB 1 116 GLU H . . 6.100 4.096 3.364 4.915 . 0 0 "[ . 1 . 2]" 1
380 1 44 ARG H 1 44 ARG HB3 . . 3.490 2.701 2.434 2.920 . 0 0 "[ . 1 . 2]" 1
381 1 44 ARG H 1 44 ARG HG3 . . 4.900 4.724 4.445 4.962 0.062 3 0 "[ . 1 . 2]" 1
382 1 44 ARG H 1 44 ARG HD2 . . 4.950 4.854 4.434 5.005 0.055 17 0 "[ . 1 . 2]" 1
383 1 44 ARG H 1 45 VAL H . . 3.870 3.111 2.202 3.911 0.041 2 0 "[ . 1 . 2]" 1
384 1 44 ARG H 1 45 VAL MG1 . . 6.020 3.040 2.317 4.114 . 0 0 "[ . 1 . 2]" 1
385 1 44 ARG H 1 45 VAL MG2 . . 5.780 3.427 2.711 4.028 . 0 0 "[ . 1 . 2]" 1
386 1 44 ARG H 1 115 ASP H . . 4.500 3.419 2.885 3.829 . 0 0 "[ . 1 . 2]" 1
387 1 44 ARG H 1 116 GLU H . . 5.040 4.759 4.063 5.107 0.067 10 0 "[ . 1 . 2]" 1
388 1 44 ARG HA 1 44 ARG HG3 . . 3.800 3.599 3.358 3.801 0.001 7 0 "[ . 1 . 2]" 1
389 1 44 ARG HA 1 44 ARG HD2 . . 4.470 3.381 2.321 4.431 . 0 0 "[ . 1 . 2]" 1
390 1 44 ARG HA 1 44 ARG HD3 . . 4.600 3.394 2.304 4.441 . 0 0 "[ . 1 . 2]" 1
391 1 44 ARG HA 1 45 VAL H . . 3.430 2.654 2.314 3.485 0.055 10 0 "[ . 1 . 2]" 1
392 1 44 ARG HB2 1 44 ARG HD3 . . 4.240 3.764 2.562 4.262 0.022 2 0 "[ . 1 . 2]" 1
393 1 44 ARG HB3 1 44 ARG HD2 . . 4.030 2.957 2.180 3.868 . 0 0 "[ . 1 . 2]" 1
394 1 44 ARG HB3 1 45 VAL H . . 4.600 4.315 3.251 4.590 . 0 0 "[ . 1 . 2]" 1
395 1 44 ARG HB3 1 115 ASP H . . 5.900 5.619 5.114 5.963 0.063 19 0 "[ . 1 . 2]" 1
396 1 44 ARG HD2 1 45 VAL HA . . 4.600 4.307 3.669 4.658 0.058 4 0 "[ . 1 . 2]" 1
397 1 44 ARG HD3 1 45 VAL HA . . 5.800 4.984 3.704 5.866 0.066 1 0 "[ . 1 . 2]" 1
398 1 45 VAL H 1 45 VAL MG2 . . 4.450 2.222 1.899 2.472 . 0 0 "[ . 1 . 2]" 1
399 1 45 VAL H 1 46 PRO HD2 . . 5.170 4.934 4.864 5.046 . 0 0 "[ . 1 . 2]" 1
400 1 45 VAL H 1 113 TYR QD . . 7.900 6.298 4.646 7.119 . 0 0 "[ . 1 . 2]" 1
401 1 45 VAL H 1 113 TYR QE . . 7.300 5.394 4.370 5.946 . 0 0 "[ . 1 . 2]" 1
402 1 45 VAL H 1 115 ASP HB2 . . 4.830 4.444 2.460 4.896 0.066 18 0 "[ . 1 . 2]" 1
403 1 45 VAL HA 1 46 PRO HD2 . . 3.410 2.520 2.319 2.711 . 0 0 "[ . 1 . 2]" 1
404 1 45 VAL HA 1 46 PRO HD3 . . 3.600 2.417 2.274 2.573 . 0 0 "[ . 1 . 2]" 1
405 1 45 VAL HA 1 72 ILE MG . . 7.100 5.384 4.638 6.357 . 0 0 "[ . 1 . 2]" 1
406 1 45 VAL HA 1 72 ILE MD . . 6.200 4.139 3.591 4.647 . 0 0 "[ . 1 . 2]" 1
407 1 45 VAL HA 1 74 LEU MD2 . . 5.900 4.450 2.432 5.481 . 0 0 "[ . 1 . 2]" 1
408 1 45 VAL HB 1 46 PRO HD2 . . 4.200 2.290 2.078 2.701 . 0 0 "[ . 1 . 2]" 1
409 1 45 VAL HB 1 46 PRO HD3 . . 3.910 3.647 3.442 3.964 0.054 11 0 "[ . 1 . 2]" 1
410 1 45 VAL HB 1 72 ILE MD . . 5.350 2.623 2.133 3.419 . 0 0 "[ . 1 . 2]" 1
411 1 45 VAL HB 1 74 LEU MD2 . . 5.270 4.253 2.678 5.329 0.059 1 0 "[ . 1 . 2]" 1
412 1 45 VAL HB 1 113 TYR QE . . 6.300 3.143 2.231 4.581 . 0 0 "[ . 1 . 2]" 1
413 1 45 VAL MG1 1 72 ILE MG . . 7.100 4.205 3.486 4.873 . 0 0 "[ . 1 . 2]" 1
414 1 45 VAL MG1 1 74 LEU MD1 . . 6.900 4.156 2.038 5.548 . 0 0 "[ . 1 . 2]" 1
415 1 45 VAL MG1 1 74 LEU MD2 . . 5.430 2.608 1.956 3.887 . 0 0 "[ . 1 . 2]" 1
416 1 45 VAL MG1 1 113 TYR QE . . 7.800 3.503 2.291 4.736 . 0 0 "[ . 1 . 2]" 1
417 1 45 VAL MG1 1 115 ASP H . . 5.760 4.070 2.488 5.323 . 0 0 "[ . 1 . 2]" 1
418 1 45 VAL MG1 1 115 ASP HB2 . . 5.680 2.717 1.992 3.785 . 0 0 "[ . 1 . 2]" 1
419 1 45 VAL MG1 1 115 ASP HB3 . . 5.170 4.055 2.630 5.254 0.084 10 0 "[ . 1 . 2]" 1
420 1 45 VAL MG2 1 46 PRO HD2 . . 5.700 3.817 3.462 4.235 . 0 0 "[ . 1 . 2]" 1
421 1 45 VAL MG2 1 46 PRO HD3 . . 5.540 4.675 4.436 4.898 . 0 0 "[ . 1 . 2]" 1
422 1 45 VAL MG2 1 72 ILE MG . . 6.900 4.127 3.230 5.693 . 0 0 "[ . 1 . 2]" 1
423 1 45 VAL MG2 1 72 ILE MD . . 6.160 3.343 2.280 4.379 . 0 0 "[ . 1 . 2]" 1
424 1 45 VAL MG2 1 113 TYR QE . . 6.530 2.264 2.067 2.703 . 0 0 "[ . 1 . 2]" 1
425 1 45 VAL MG2 1 115 ASP H . . 5.650 4.184 3.520 4.973 . 0 0 "[ . 1 . 2]" 1
426 1 45 VAL MG2 1 115 ASP HA . . 5.300 4.931 3.298 5.376 0.076 7 0 "[ . 1 . 2]" 1
427 1 45 VAL MG2 1 115 ASP HB2 . . 5.240 3.906 2.197 4.616 . 0 0 "[ . 1 . 2]" 1
428 1 45 VAL MG2 1 115 ASP HB3 . . 5.900 4.820 3.746 5.681 . 0 0 "[ . 1 . 2]" 1
429 1 46 PRO HA 1 47 ASP H . . 3.090 2.294 2.178 2.398 . 0 0 "[ . 1 . 2]" 1
430 1 46 PRO HA 1 47 ASP HA . . 4.320 4.371 4.359 4.384 0.064 10 0 "[ . 1 . 2]" 1
431 1 46 PRO HB2 1 47 ASP H . . 3.260 2.898 2.700 3.083 . 0 0 "[ . 1 . 2]" 1
432 1 46 PRO HB2 1 72 ILE MG . . 5.630 4.776 3.923 5.680 0.050 11 0 "[ . 1 . 2]" 1
433 1 46 PRO HB3 1 47 ASP H . . 4.260 3.630 3.246 3.794 . 0 0 "[ . 1 . 2]" 1
434 1 46 PRO HG2 1 47 ASP H . . 5.200 4.616 4.388 4.806 . 0 0 "[ . 1 . 2]" 1
435 1 46 PRO HG2 1 72 ILE MG . . 5.610 3.092 2.220 4.062 . 0 0 "[ . 1 . 2]" 1
436 1 46 PRO HG2 1 73 HIS HD2 . . 5.200 5.119 4.234 5.262 0.062 2 0 "[ . 1 . 2]" 1
437 1 46 PRO HD2 1 72 ILE MD . . 6.000 3.218 2.671 3.690 . 0 0 "[ . 1 . 2]" 1
438 1 46 PRO HD2 1 74 LEU MD2 . . 5.440 4.464 2.163 5.511 0.071 9 0 "[ . 1 . 2]" 1
439 1 46 PRO HD3 1 72 ILE HB . . 4.900 3.834 3.363 4.871 . 0 0 "[ . 1 . 2]" 1
440 1 46 PRO HD3 1 72 ILE MG . . 6.100 4.952 4.029 5.983 . 0 0 "[ . 1 . 2]" 1
441 1 46 PRO HD3 1 72 ILE MD . . 5.900 4.577 4.037 5.148 . 0 0 "[ . 1 . 2]" 1
442 1 46 PRO HD3 1 74 LEU MD2 . . 6.100 5.041 2.577 6.164 0.064 10 0 "[ . 1 . 2]" 1
443 1 47 ASP H 1 47 ASP HB2 . . 3.810 3.227 2.396 3.851 0.041 10 0 "[ . 1 . 2]" 1
444 1 47 ASP H 1 47 ASP HB3 . . 3.740 2.804 2.382 3.645 . 0 0 "[ . 1 . 2]" 1
445 1 47 ASP H 1 48 LEU H . . 5.300 4.587 4.500 4.659 . 0 0 "[ . 1 . 2]" 1
446 1 47 ASP HA 1 48 LEU H . . 3.460 2.377 2.176 2.572 . 0 0 "[ . 1 . 2]" 1
447 1 47 ASP HA 1 113 TYR QE . . 6.940 4.891 2.978 6.183 . 0 0 "[ . 1 . 2]" 1
448 1 47 ASP HB2 1 48 LEU H . . 4.170 3.163 2.332 4.208 0.038 18 0 "[ . 1 . 2]" 1
449 1 47 ASP HB3 1 48 LEU H . . 4.330 3.722 2.403 4.291 . 0 0 "[ . 1 . 2]" 1
450 1 48 LEU H 1 48 LEU HB2 . . 3.690 2.695 2.405 3.750 0.060 18 0 "[ . 1 . 2]" 1
451 1 48 LEU H 1 48 LEU HG . . 4.990 3.448 2.426 4.629 . 0 0 "[ . 1 . 2]" 1
452 1 48 LEU H 1 72 ILE MG . . 6.600 5.770 5.100 6.431 . 0 0 "[ . 1 . 2]" 1
453 1 48 LEU H 1 113 TYR QE . . 7.020 5.398 4.204 6.484 . 0 0 "[ . 1 . 2]" 1
454 1 48 LEU HA 1 48 LEU HG . . 3.750 2.924 2.215 3.786 0.036 18 0 "[ . 1 . 2]" 1
455 1 48 LEU HB2 1 50 LYS H . . 5.000 3.972 2.790 5.067 0.067 11 0 "[ . 1 . 2]" 1
456 1 48 LEU HB2 1 113 TYR QE . . 6.500 5.378 4.062 6.557 0.057 18 0 "[ . 1 . 2]" 1
457 1 48 LEU HB3 1 50 LYS H . . 4.980 3.212 2.356 4.750 . 0 0 "[ . 1 . 2]" 1
458 1 48 LEU MD1 1 49 ASP H . . 6.600 4.737 3.103 5.368 . 0 0 "[ . 1 . 2]" 1
459 1 48 LEU MD1 1 50 LYS H . . 6.600 4.755 3.596 5.785 . 0 0 "[ . 1 . 2]" 1
460 1 48 LEU MD1 1 68 ILE HA . . 5.700 5.188 4.024 5.777 0.077 5 0 "[ . 1 . 2]" 1
461 1 48 LEU MD1 1 68 ILE MG . . 6.100 3.854 2.375 6.067 . 0 0 "[ . 1 . 2]" 1
462 1 48 LEU MD1 1 68 ILE MD . . 6.340 4.138 2.905 5.313 . 0 0 "[ . 1 . 2]" 1
463 1 48 LEU MD1 1 72 ILE MG . . 5.330 2.674 2.051 4.085 . 0 0 "[ . 1 . 2]" 1
464 1 48 LEU MD1 1 113 TYR QE . . 7.450 4.308 3.085 6.025 . 0 0 "[ . 1 . 2]" 1
465 1 49 ASP H 1 50 LYS H . . 4.620 2.897 2.220 3.773 . 0 0 "[ . 1 . 2]" 1
466 1 49 ASP HB2 1 50 LYS H . . 4.910 3.361 2.123 4.684 . 0 0 "[ . 1 . 2]" 1
467 1 52 LYS HA 1 53 TYR HB2 . . 5.110 4.343 4.103 4.647 . 0 0 "[ . 1 . 2]" 1
468 1 52 LYS HA 1 53 TYR QD . . 7.240 3.773 2.967 5.805 . 0 0 "[ . 1 . 2]" 1
469 1 52 LYS HB2 2 12 ILE MD . . 6.180 5.003 3.659 6.253 0.073 2 0 "[ . 1 . 2]" 1
470 1 52 LYS HB3 2 11 TYR QD . . 7.060 3.355 2.332 4.633 . 0 0 "[ . 1 . 2]" 1
471 1 52 LYS HB3 2 11 TYR QE . . 6.890 3.944 3.198 5.358 . 0 0 "[ . 1 . 2]" 1
472 1 53 TYR H 2 11 TYR QD . . 7.430 4.573 2.659 5.960 . 0 0 "[ . 1 . 2]" 1
473 1 53 TYR HA 2 12 ILE MG . . 6.470 3.900 3.551 4.228 . 0 0 "[ . 1 . 2]" 1
474 1 53 TYR HA 2 14 ILE HB . . 5.800 5.686 5.011 5.865 0.065 19 0 "[ . 1 . 2]" 1
475 1 53 TYR HB3 1 54 LEU HA . . 4.690 4.350 4.136 4.593 . 0 0 "[ . 1 . 2]" 1
476 1 53 TYR HB3 2 12 ILE MG . . 6.590 4.626 4.137 5.252 . 0 0 "[ . 1 . 2]" 1
477 1 53 TYR HB3 2 14 ILE MD . . 6.900 4.972 2.216 6.963 0.063 11 0 "[ . 1 . 2]" 1
478 1 53 TYR QD 1 68 ILE MD . . 8.040 4.490 3.024 5.618 . 0 0 "[ . 1 . 2]" 1
479 1 53 TYR QD 2 11 TYR QE . . 8.900 7.658 6.001 8.953 0.053 13 0 "[ . 1 . 2]" 1
480 1 53 TYR QD 2 12 ILE MG . . 7.390 2.895 2.358 3.610 . 0 0 "[ . 1 . 2]" 1
481 1 53 TYR QD 2 12 ILE MD . . 8.800 4.695 2.366 5.693 . 0 0 "[ . 1 . 2]" 1
482 1 53 TYR QD 2 14 ILE HB . . 7.090 3.532 2.418 4.617 . 0 0 "[ . 1 . 2]" 1
483 1 53 TYR QD 2 14 ILE MG . . 7.460 3.212 2.039 5.077 . 0 0 "[ . 1 . 2]" 1
484 1 53 TYR QD 2 14 ILE MD . . 7.700 3.625 1.918 5.543 . 0 0 "[ . 1 . 2]" 1
485 1 53 TYR QE 1 68 ILE MD . . 7.900 4.155 2.243 5.566 . 0 0 "[ . 1 . 2]" 1
486 1 53 TYR QE 2 12 ILE MG . . 6.880 2.638 2.190 3.789 . 0 0 "[ . 1 . 2]" 1
487 1 53 TYR QE 2 12 ILE QG . . 8.600 3.846 2.790 5.463 . 0 0 "[ . 1 . 2]" 1
488 1 53 TYR QE 2 12 ILE MD . . 8.800 4.467 2.128 6.183 . 0 0 "[ . 1 . 2]" 1
489 1 53 TYR QE 2 14 ILE MG . . 7.250 4.003 2.435 5.967 . 0 0 "[ . 1 . 2]" 1
490 1 53 TYR QE 2 14 ILE HG12 . . 6.880 4.818 3.403 6.686 . 0 0 "[ . 1 . 2]" 1
491 1 53 TYR QE 2 14 ILE HG13 . . 7.700 4.779 2.362 6.799 . 0 0 "[ . 1 . 2]" 1
492 1 53 TYR QE 2 14 ILE MD . . 8.010 3.467 2.424 5.431 . 0 0 "[ . 1 . 2]" 1
493 1 54 LEU H 2 13 ILE HA . . 5.050 2.777 2.507 3.146 . 0 0 "[ . 1 . 2]" 1
494 1 54 LEU H 2 13 ILE MD . . 6.600 5.260 3.755 6.021 . 0 0 "[ . 1 . 2]" 1
495 1 54 LEU HA 1 54 LEU HG . . 4.150 2.404 2.237 2.640 . 0 0 "[ . 1 . 2]" 1
496 1 54 LEU HA 1 55 VAL H . . 3.550 2.237 2.192 2.278 . 0 0 "[ . 1 . 2]" 1
497 1 54 LEU HA 2 13 ILE MD . . 7.100 5.733 4.241 6.556 . 0 0 "[ . 1 . 2]" 1
498 1 54 LEU HB2 2 11 TYR HB3 . . 4.940 3.792 2.364 4.826 . 0 0 "[ . 1 . 2]" 1
499 1 54 LEU HB2 2 13 ILE MG . . 5.570 3.989 2.906 5.154 . 0 0 "[ . 1 . 2]" 1
500 1 54 LEU HB3 2 11 TYR QD . . 6.890 5.163 3.904 6.966 0.076 13 0 "[ . 1 . 2]" 1
501 1 54 LEU HB3 2 13 ILE HA . . 4.590 2.627 2.164 3.349 . 0 0 "[ . 1 . 2]" 1
502 1 54 LEU HB3 2 13 ILE HG12 . . 4.850 3.197 2.131 4.909 0.059 12 0 "[ . 1 . 2]" 1
503 1 54 LEU HB3 2 13 ILE MD . . 5.350 3.487 2.085 4.525 . 0 0 "[ . 1 . 2]" 1
504 1 54 LEU HG 2 11 TYR QD . . 7.230 3.963 2.322 6.437 . 0 0 "[ . 1 . 2]" 1
505 1 54 LEU MD1 1 55 VAL H . . 6.440 4.664 3.971 5.263 . 0 0 "[ . 1 . 2]" 1
506 1 54 LEU MD1 2 11 TYR HB3 . . 5.540 3.644 2.306 4.948 . 0 0 "[ . 1 . 2]" 1
507 1 54 LEU MD1 2 11 TYR QD . . 8.570 2.790 2.193 3.484 . 0 0 "[ . 1 . 2]" 1
508 1 54 LEU MD1 2 11 TYR QE . . 8.620 4.224 3.429 5.129 . 0 0 "[ . 1 . 2]" 1
509 1 54 LEU MD1 2 13 ILE HG12 . . 6.600 3.484 2.147 5.533 . 0 0 "[ . 1 . 2]" 1
510 1 54 LEU MD1 2 13 ILE HG13 . . 6.600 3.938 2.148 5.913 . 0 0 "[ . 1 . 2]" 1
511 1 54 LEU MD1 2 13 ILE MD . . 6.560 3.151 2.087 4.688 . 0 0 "[ . 1 . 2]" 1
512 1 55 VAL H 2 15 LEU MD2 . . 7.100 6.433 4.622 7.153 0.053 14 0 "[ . 1 . 2]" 1
513 1 55 VAL MG1 2 15 LEU MD2 . . 7.600 5.129 3.767 6.098 . 0 0 "[ . 1 . 2]" 1
514 1 56 PRO HA 1 57 SER H . . 3.450 2.351 2.235 2.456 . 0 0 "[ . 1 . 2]" 1
515 1 56 PRO HA 1 57 SER HA . . 4.470 4.387 4.320 4.459 . 0 0 "[ . 1 . 2]" 1
516 1 56 PRO HB2 1 59 LEU HB3 . . 5.050 4.846 3.859 5.111 0.061 14 0 "[ . 1 . 2]" 1
517 1 56 PRO HB2 2 15 LEU MD2 . . 6.600 5.016 3.396 6.661 0.061 12 0 "[ . 1 . 2]" 1
518 1 56 PRO HB3 2 15 LEU HB2 . . 5.500 4.758 4.001 5.558 0.058 14 0 "[ . 1 . 2]" 1
519 1 56 PRO HB3 2 15 LEU HB3 . . 5.430 4.692 3.737 5.477 0.047 17 0 "[ . 1 . 2]" 1
520 1 56 PRO HB3 2 15 LEU MD2 . . 5.800 3.736 2.352 5.416 . 0 0 "[ . 1 . 2]" 1
521 1 56 PRO QD 2 15 LEU MD2 . . 6.600 3.010 2.134 4.074 . 0 0 "[ . 1 . 2]" 1
522 1 57 SER H 1 57 SER HB2 . . 4.060 3.285 2.110 3.583 . 0 0 "[ . 1 . 2]" 1
523 1 57 SER H 1 57 SER HB3 . . 4.100 2.903 2.276 3.599 . 0 0 "[ . 1 . 2]" 1
524 1 57 SER HA 1 58 ASP HA . . 5.000 4.783 4.679 4.913 . 0 0 "[ . 1 . 2]" 1
525 1 57 SER HA 1 59 LEU H . . 4.640 3.886 3.703 4.336 . 0 0 "[ . 1 . 2]" 1
526 1 57 SER HA 1 95 MET HB2 . . 4.720 2.598 2.191 3.083 . 0 0 "[ . 1 . 2]" 1
527 1 57 SER HA 1 95 MET HB3 . . 5.040 3.118 2.418 4.057 . 0 0 "[ . 1 . 2]" 1
528 1 57 SER HA 1 96 GLY H . . 3.510 2.937 2.603 3.253 . 0 0 "[ . 1 . 2]" 1
529 1 57 SER HA 1 96 GLY HA2 . . 4.410 3.236 2.608 3.623 . 0 0 "[ . 1 . 2]" 1
530 1 57 SER HB2 1 96 GLY H . . 4.930 3.768 3.092 4.977 0.047 12 0 "[ . 1 . 2]" 1
531 1 57 SER HB2 1 96 GLY HA2 . . 4.050 3.217 2.498 4.116 0.066 14 0 "[ . 1 . 2]" 1
532 1 57 SER HB3 1 96 GLY H . . 5.500 4.217 3.214 4.971 . 0 0 "[ . 1 . 2]" 1
533 1 57 SER HB3 1 96 GLY HA2 . . 4.130 3.123 2.303 4.203 0.073 10 0 "[ . 1 . 2]" 1
534 1 58 ASP H 1 58 ASP HB3 . . 4.110 3.424 2.640 3.685 . 0 0 "[ . 1 . 2]" 1
535 1 58 ASP H 1 59 LEU H . . 3.520 2.727 2.322 3.103 . 0 0 "[ . 1 . 2]" 1
536 1 58 ASP H 1 94 THR HB . . 5.200 5.143 4.886 5.264 0.064 4 0 "[ . 1 . 2]" 1
537 1 58 ASP H 1 94 THR MG . . 6.900 5.551 5.277 6.050 . 0 0 "[ . 1 . 2]" 1
538 1 58 ASP H 1 95 MET HB2 . . 4.600 4.625 4.383 4.673 0.073 7 0 "[ . 1 . 2]" 1
539 1 58 ASP HA 1 94 THR HB . . 3.790 3.210 2.793 3.661 . 0 0 "[ . 1 . 2]" 1
540 1 58 ASP HA 1 94 THR MG . . 4.710 3.321 2.866 3.986 . 0 0 "[ . 1 . 2]" 1
541 1 58 ASP HA 1 96 GLY H . . 4.520 4.277 3.984 4.574 0.054 14 0 "[ . 1 . 2]" 1
542 1 58 ASP HB2 1 94 THR MG . . 6.300 5.297 4.265 6.336 0.036 11 0 "[ . 1 . 2]" 1
543 1 58 ASP HB3 1 59 LEU H . . 4.800 4.198 3.119 4.539 . 0 0 "[ . 1 . 2]" 1
544 1 58 ASP HB3 1 94 THR HB . . 5.700 5.442 4.949 5.763 0.063 11 0 "[ . 1 . 2]" 1
545 1 58 ASP HB3 1 94 THR MG . . 5.900 4.678 4.013 5.436 . 0 0 "[ . 1 . 2]" 1
546 1 59 LEU H 1 59 LEU HB2 . . 3.590 2.614 2.321 3.057 . 0 0 "[ . 1 . 2]" 1
547 1 59 LEU H 1 59 LEU HB3 . . 3.510 2.427 2.204 2.742 . 0 0 "[ . 1 . 2]" 1
548 1 59 LEU H 1 59 LEU HG . . 4.930 4.487 4.358 4.664 . 0 0 "[ . 1 . 2]" 1
549 1 59 LEU H 1 59 LEU MD1 . . 5.700 4.193 4.028 4.406 . 0 0 "[ . 1 . 2]" 1
550 1 59 LEU H 1 60 THR H . . 5.100 4.594 4.405 4.708 . 0 0 "[ . 1 . 2]" 1
551 1 59 LEU H 1 95 MET H . . 4.830 3.731 3.009 4.333 . 0 0 "[ . 1 . 2]" 1
552 1 59 LEU H 1 95 MET HB2 . . 3.900 3.252 2.922 3.928 0.028 14 0 "[ . 1 . 2]" 1
553 1 59 LEU HA 1 59 LEU MD1 . . 4.500 2.279 2.121 3.658 . 0 0 "[ . 1 . 2]" 1
554 1 59 LEU HA 1 60 THR H . . 3.450 2.239 2.148 2.364 . 0 0 "[ . 1 . 2]" 1
555 1 59 LEU HA 1 94 THR MG . . 5.280 4.448 3.814 5.030 . 0 0 "[ . 1 . 2]" 1
556 1 59 LEU HB2 1 60 THR H . . 5.200 4.295 3.871 4.516 . 0 0 "[ . 1 . 2]" 1
557 1 59 LEU HB2 1 95 MET H . . 5.900 5.208 4.997 5.462 . 0 0 "[ . 1 . 2]" 1
558 1 59 LEU HB2 1 95 MET HB2 . . 4.800 4.613 4.175 4.859 0.059 14 0 "[ . 1 . 2]" 1
559 1 59 LEU HB2 1 95 MET HG2 . . 5.550 4.461 3.936 5.598 0.048 5 0 "[ . 1 . 2]" 1
560 1 59 LEU HB3 1 64 PHE HB2 . . 5.130 4.559 3.937 4.992 . 0 0 "[ . 1 . 2]" 1
561 1 59 LEU HB3 1 95 MET HB2 . . 4.110 3.132 2.680 3.521 . 0 0 "[ . 1 . 2]" 1
562 1 59 LEU HG 1 63 GLN HB3 . . 4.200 3.995 3.211 4.258 0.058 14 0 "[ . 1 . 2]" 1
563 1 59 LEU HG 1 63 GLN QG . . 5.600 4.805 4.098 5.381 . 0 0 "[ . 1 . 2]" 1
564 1 59 LEU HG 1 64 PHE H . . 4.410 3.245 2.974 3.455 . 0 0 "[ . 1 . 2]" 1
565 1 59 LEU HG 1 64 PHE HA . . 4.600 4.393 3.689 4.660 0.060 16 0 "[ . 1 . 2]" 1
566 1 59 LEU HG 1 64 PHE HB2 . . 4.200 3.093 2.368 3.872 . 0 0 "[ . 1 . 2]" 1
567 1 59 LEU HG 1 64 PHE HB3 . . 4.500 3.959 3.459 4.561 0.061 11 0 "[ . 1 . 2]" 1
568 1 59 LEU HG 1 64 PHE QD . . 6.580 4.995 4.417 5.707 . 0 0 "[ . 1 . 2]" 1
569 1 59 LEU MD1 1 60 THR H . . 5.900 2.509 1.921 4.040 . 0 0 "[ . 1 . 2]" 1
570 1 59 LEU MD1 1 63 GLN H . . 5.840 4.164 3.704 4.798 . 0 0 "[ . 1 . 2]" 1
571 1 59 LEU MD1 1 63 GLN HB2 . . 5.580 2.417 2.077 3.409 . 0 0 "[ . 1 . 2]" 1
572 1 59 LEU MD1 1 63 GLN HB3 . . 5.080 2.346 2.108 3.222 . 0 0 "[ . 1 . 2]" 1
573 1 59 LEU MD1 1 63 GLN QG . . 5.710 3.119 2.356 4.415 . 0 0 "[ . 1 . 2]" 1
574 1 59 LEU MD1 1 64 PHE H . . 6.130 3.489 2.911 4.269 . 0 0 "[ . 1 . 2]" 1
575 1 59 LEU MD1 1 64 PHE HB2 . . 5.600 3.826 2.517 5.014 . 0 0 "[ . 1 . 2]" 1
576 1 59 LEU MD1 1 67 LEU MD2 . . 5.600 3.921 2.671 5.042 . 0 0 "[ . 1 . 2]" 1
577 1 59 LEU MD2 1 67 LEU MD2 . . 5.600 3.921 2.756 5.282 . 0 0 "[ . 1 . 2]" 1
578 1 60 THR H 1 61 VAL H . . 5.020 4.670 4.609 4.770 . 0 0 "[ . 1 . 2]" 1
579 1 60 THR H 1 63 GLN QG . . 5.940 3.793 3.109 4.443 . 0 0 "[ . 1 . 2]" 1
580 1 60 THR H 1 94 THR HB . . 5.700 5.326 4.975 5.734 0.034 18 0 "[ . 1 . 2]" 1
581 1 60 THR H 1 94 THR MG . . 4.900 3.792 3.019 4.387 . 0 0 "[ . 1 . 2]" 1
582 1 60 THR HA 1 61 VAL H . . 3.420 2.319 2.218 2.433 . 0 0 "[ . 1 . 2]" 1
583 1 60 THR HA 1 61 VAL MG1 . . 5.740 4.638 3.564 5.591 . 0 0 "[ . 1 . 2]" 1
584 1 60 THR HA 1 63 GLN QG . . 5.970 5.565 5.038 6.032 0.062 20 0 "[ . 1 . 2]" 1
585 1 60 THR HA 1 93 ALA MB . . 6.900 5.091 4.808 5.290 . 0 0 "[ . 1 . 2]" 1
586 1 60 THR HA 1 94 THR HA . . 4.170 2.128 1.970 2.333 . 0 0 "[ . 1 . 2]" 1
587 1 60 THR HA 1 94 THR MG . . 4.490 2.418 2.036 2.982 . 0 0 "[ . 1 . 2]" 1
588 1 60 THR MG 1 61 VAL H . . 5.240 3.184 2.374 3.961 . 0 0 "[ . 1 . 2]" 1
589 1 60 THR MG 1 62 GLY H . . 5.500 3.108 2.048 4.583 . 0 0 "[ . 1 . 2]" 1
590 1 60 THR MG 1 63 GLN H . . 5.990 3.405 1.789 4.774 . 0 0 "[ . 1 . 2]" 1
591 1 60 THR MG 1 63 GLN QG . . 6.240 3.646 2.012 4.717 . 0 0 "[ . 1 . 2]" 1
592 1 60 THR MG 1 92 SER HA . . 5.410 3.525 2.389 5.117 . 0 0 "[ . 1 . 2]" 1
593 1 60 THR MG 1 93 ALA H . . 6.170 4.913 3.818 6.254 0.084 20 0 "[ . 1 . 2]" 1
594 1 61 VAL H 1 61 VAL HB . . 3.560 3.048 2.341 3.622 0.062 11 0 "[ . 1 . 2]" 1
595 1 61 VAL H 1 61 VAL MG1 . . 4.590 2.953 2.108 3.782 . 0 0 "[ . 1 . 2]" 1
596 1 61 VAL H 1 62 GLY H . . 3.780 2.823 2.663 2.955 . 0 0 "[ . 1 . 2]" 1
597 1 61 VAL H 1 91 THR HA . . 4.900 4.739 4.313 4.967 0.067 19 0 "[ . 1 . 2]" 1
598 1 61 VAL H 1 93 ALA H . . 5.330 4.254 4.038 4.616 . 0 0 "[ . 1 . 2]" 1
599 1 61 VAL H 1 93 ALA MB . . 6.180 4.010 3.637 4.462 . 0 0 "[ . 1 . 2]" 1
600 1 61 VAL H 1 95 MET H . . 4.720 4.423 3.887 4.782 0.062 2 0 "[ . 1 . 2]" 1
601 1 61 VAL HA 1 64 PHE H . . 4.670 3.387 3.156 3.617 . 0 0 "[ . 1 . 2]" 1
602 1 61 VAL HA 1 64 PHE HB2 . . 4.120 3.811 3.367 4.177 0.057 16 0 "[ . 1 . 2]" 1
603 1 61 VAL HA 1 64 PHE HB3 . . 4.400 2.626 2.258 3.116 . 0 0 "[ . 1 . 2]" 1
604 1 61 VAL HA 1 64 PHE QD . . 7.020 3.625 2.878 4.679 . 0 0 "[ . 1 . 2]" 1
605 1 61 VAL HB 1 62 GLY H . . 4.100 3.344 2.646 4.074 . 0 0 "[ . 1 . 2]" 1
606 1 61 VAL HB 1 65 TYR QE . . 7.020 4.517 2.488 7.069 0.049 10 0 "[ . 1 . 2]" 1
607 1 61 VAL HB 1 91 THR HA . . 4.500 3.394 2.177 4.555 0.055 13 0 "[ . 1 . 2]" 1
608 1 61 VAL HB 1 91 THR MG . . 6.600 4.876 3.303 6.625 0.025 5 0 "[ . 1 . 2]" 1
609 1 61 VAL HB 1 93 ALA H . . 5.900 4.613 3.205 5.960 0.060 5 0 "[ . 1 . 2]" 1
610 1 61 VAL MG1 1 62 GLY H . . 5.630 3.817 3.314 4.198 . 0 0 "[ . 1 . 2]" 1
611 1 61 VAL MG1 1 64 PHE HB2 . . 6.970 5.074 4.268 5.670 . 0 0 "[ . 1 . 2]" 1
612 1 61 VAL MG1 1 64 PHE QD . . 7.300 3.688 2.179 5.313 . 0 0 "[ . 1 . 2]" 1
613 1 61 VAL MG1 1 91 THR HA . . 6.330 3.501 2.008 4.780 . 0 0 "[ . 1 . 2]" 1
614 1 61 VAL MG1 1 93 ALA H . . 5.460 4.286 3.658 5.378 . 0 0 "[ . 1 . 2]" 1
615 1 61 VAL MG1 1 93 ALA MB . . 5.420 3.327 2.201 4.830 . 0 0 "[ . 1 . 2]" 1
616 1 61 VAL MG1 1 94 THR H . . 6.170 4.990 3.337 6.238 0.068 10 0 "[ . 1 . 2]" 1
617 1 61 VAL MG1 1 95 MET H . . 5.930 4.785 3.294 6.010 0.080 12 0 "[ . 1 . 2]" 1
618 1 61 VAL MG1 1 95 MET HA . . 5.580 4.250 2.739 5.628 0.048 6 0 "[ . 1 . 2]" 1
619 1 61 VAL MG2 1 62 GLY H . . 5.390 3.172 2.145 4.066 . 0 0 "[ . 1 . 2]" 1
620 1 61 VAL MG2 1 62 GLY HA2 . . 5.640 4.507 3.357 5.640 . 0 0 "[ . 1 . 2]" 1
621 1 61 VAL MG2 1 62 GLY HA3 . . 6.160 4.837 3.662 5.898 . 0 0 "[ . 1 . 2]" 1
622 1 61 VAL MG2 1 65 TYR H . . 6.600 5.261 4.836 5.760 . 0 0 "[ . 1 . 2]" 1
623 1 61 VAL MG2 1 65 TYR QD . . 7.220 4.681 3.592 6.199 . 0 0 "[ . 1 . 2]" 1
624 1 61 VAL MG2 1 65 TYR QE . . 7.600 4.186 2.438 7.287 . 0 0 "[ . 1 . 2]" 1
625 1 61 VAL MG2 1 90 PRO HA . . 5.500 5.210 4.656 5.581 0.081 17 0 "[ . 1 . 2]" 1
626 1 61 VAL MG2 1 91 THR HA . . 4.530 2.825 1.947 3.967 . 0 0 "[ . 1 . 2]" 1
627 1 61 VAL MG2 1 91 THR HB . . 6.180 4.675 3.567 5.894 . 0 0 "[ . 1 . 2]" 1
628 1 61 VAL MG2 1 91 THR MG . . 5.770 4.169 3.195 5.775 0.005 9 0 "[ . 1 . 2]" 1
629 1 62 GLY H 1 63 GLN H . . 4.130 2.918 2.779 3.153 . 0 0 "[ . 1 . 2]" 1
630 1 62 GLY H 1 64 PHE H . . 5.100 4.401 4.264 4.640 . 0 0 "[ . 1 . 2]" 1
631 1 62 GLY H 1 65 TYR QD . . 7.380 5.238 4.372 6.592 . 0 0 "[ . 1 . 2]" 1
632 1 62 GLY H 1 91 THR HA . . 4.250 3.636 3.130 4.307 0.057 10 0 "[ . 1 . 2]" 1
633 1 62 GLY H 1 91 THR HB . . 4.900 4.161 3.053 4.968 0.068 14 0 "[ . 1 . 2]" 1
634 1 62 GLY H 1 91 THR MG . . 6.300 4.480 3.600 5.403 . 0 0 "[ . 1 . 2]" 1
635 1 62 GLY HA2 1 65 TYR H . . 5.130 3.598 3.407 3.884 . 0 0 "[ . 1 . 2]" 1
636 1 62 GLY HA2 1 65 TYR QD . . 7.040 3.381 2.133 4.625 . 0 0 "[ . 1 . 2]" 1
637 1 62 GLY HA2 1 91 THR HB . . 4.800 3.717 2.243 4.823 0.023 18 0 "[ . 1 . 2]" 1
638 1 62 GLY HA2 1 91 THR MG . . 5.470 3.732 2.240 4.841 . 0 0 "[ . 1 . 2]" 1
639 1 62 GLY HA3 1 65 TYR HB2 . . 4.940 4.476 4.139 4.972 0.032 10 0 "[ . 1 . 2]" 1
640 1 62 GLY HA3 1 65 TYR QD . . 6.640 4.932 3.784 6.024 . 0 0 "[ . 1 . 2]" 1
641 1 62 GLY HA3 1 91 THR MG . . 6.100 4.269 3.073 5.890 . 0 0 "[ . 1 . 2]" 1
642 1 63 GLN H 1 63 GLN HB3 . . 3.960 3.524 3.385 3.605 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLN H 1 63 GLN QG . . 4.180 2.803 2.419 3.511 . 0 0 "[ . 1 . 2]" 1
644 1 63 GLN H 1 64 PHE H . . 3.740 2.678 2.519 2.888 . 0 0 "[ . 1 . 2]" 1
645 1 63 GLN H 1 66 PHE HB2 . . 5.500 5.219 4.965 5.557 0.057 6 0 "[ . 1 . 2]" 1
646 1 63 GLN HA 1 66 PHE H . . 4.680 3.409 3.183 3.652 . 0 0 "[ . 1 . 2]" 1
647 1 63 GLN HA 1 66 PHE HA . . 5.970 5.435 5.167 5.742 . 0 0 "[ . 1 . 2]" 1
648 1 63 GLN HA 1 66 PHE HB2 . . 4.070 2.873 2.438 3.555 . 0 0 "[ . 1 . 2]" 1
649 1 63 GLN HA 1 66 PHE HB3 . . 4.500 3.772 2.453 4.532 0.032 20 0 "[ . 1 . 2]" 1
650 1 63 GLN HA 1 66 PHE QD . . 6.840 3.645 2.116 4.819 . 0 0 "[ . 1 . 2]" 1
651 1 63 GLN HA 1 67 LEU MD1 . . 5.820 5.088 3.443 5.904 0.084 16 0 "[ . 1 . 2]" 1
652 1 63 GLN HB2 1 64 PHE H . . 4.630 2.743 2.532 3.031 . 0 0 "[ . 1 . 2]" 1
653 1 63 GLN HB3 1 64 PHE H . . 4.970 3.334 3.063 3.551 . 0 0 "[ . 1 . 2]" 1
654 1 63 GLN HB3 1 64 PHE HA . . 5.510 4.174 3.984 4.369 . 0 0 "[ . 1 . 2]" 1
655 1 63 GLN HB3 1 66 PHE HB2 . . 6.000 5.126 4.545 6.049 0.049 13 0 "[ . 1 . 2]" 1
656 1 63 GLN HB3 1 67 LEU MD1 . . 5.900 4.627 2.868 5.738 . 0 0 "[ . 1 . 2]" 1
657 1 63 GLN QG 1 64 PHE H . . 5.250 4.350 4.114 4.599 . 0 0 "[ . 1 . 2]" 1
658 1 64 PHE H 1 65 TYR H . . 3.960 2.786 2.633 2.939 . 0 0 "[ . 1 . 2]" 1
659 1 64 PHE HA 1 65 TYR HA . . 5.500 4.835 4.783 4.891 . 0 0 "[ . 1 . 2]" 1
660 1 64 PHE HA 1 67 LEU H . . 4.600 3.477 3.320 3.587 . 0 0 "[ . 1 . 2]" 1
661 1 64 PHE HA 1 67 LEU HB2 . . 4.240 2.831 2.409 3.563 . 0 0 "[ . 1 . 2]" 1
662 1 64 PHE HA 1 67 LEU HB3 . . 5.010 3.887 2.758 4.612 . 0 0 "[ . 1 . 2]" 1
663 1 64 PHE HA 1 67 LEU MD1 . . 5.300 4.508 2.192 5.354 0.054 1 0 "[ . 1 . 2]" 1
664 1 64 PHE HA 1 68 ILE H . . 5.120 4.084 3.704 4.238 . 0 0 "[ . 1 . 2]" 1
665 1 64 PHE HB2 1 65 TYR H . . 4.300 4.020 3.908 4.152 . 0 0 "[ . 1 . 2]" 1
666 1 64 PHE HB2 1 65 TYR HA . . 5.690 5.701 5.585 5.751 0.061 2 0 "[ . 1 . 2]" 1
667 1 64 PHE HB2 1 67 LEU MD2 . . 6.100 5.154 4.248 6.175 0.075 5 0 "[ . 1 . 2]" 1
668 1 64 PHE HB3 1 65 TYR H . . 4.730 2.703 2.540 2.942 . 0 0 "[ . 1 . 2]" 1
669 1 64 PHE HB3 1 95 MET HG3 . . 5.290 5.100 4.149 5.353 0.063 2 0 "[ . 1 . 2]" 1
670 1 64 PHE HB3 1 95 MET ME . . 6.900 5.234 3.940 6.723 . 0 0 "[ . 1 . 2]" 1
671 1 64 PHE QD 1 67 LEU HB2 . . 6.980 4.232 3.359 5.267 . 0 0 "[ . 1 . 2]" 1
672 1 64 PHE QD 1 67 LEU MD2 . . 7.320 4.559 3.199 5.687 . 0 0 "[ . 1 . 2]" 1
673 1 64 PHE QD 1 68 ILE HG12 . . 6.740 3.645 2.682 6.171 . 0 0 "[ . 1 . 2]" 1
674 1 64 PHE QD 1 95 MET HG3 . . 7.120 5.025 4.140 5.751 . 0 0 "[ . 1 . 2]" 1
675 1 64 PHE QD 1 95 MET ME . . 6.390 4.429 2.908 5.973 . 0 0 "[ . 1 . 2]" 1
676 1 64 PHE QE 1 68 ILE HB . . 7.190 4.594 3.541 5.112 . 0 0 "[ . 1 . 2]" 1
677 1 64 PHE QE 1 68 ILE HG12 . . 6.310 3.179 2.693 4.797 . 0 0 "[ . 1 . 2]" 1
678 1 64 PHE QE 1 68 ILE HG13 . . 7.180 3.186 2.388 4.929 . 0 0 "[ . 1 . 2]" 1
679 1 64 PHE QE 1 68 ILE MD . . 7.470 2.483 2.252 2.770 . 0 0 "[ . 1 . 2]" 1
680 1 64 PHE QE 1 82 PHE QD . . 8.980 3.598 2.649 6.499 . 0 0 "[ . 1 . 2]" 1
681 1 64 PHE QE 1 82 PHE QE . . 8.320 3.715 2.141 7.620 . 0 0 "[ . 1 . 2]" 1
682 1 64 PHE QE 1 95 MET ME . . 6.900 4.522 2.783 6.080 . 0 0 "[ . 1 . 2]" 1
683 1 64 PHE QE 1 111 VAL MG1 . . 7.180 3.243 2.304 5.042 . 0 0 "[ . 1 . 2]" 1
684 1 64 PHE QE 1 111 VAL MG2 . . 7.690 3.258 2.329 5.157 . 0 0 "[ . 1 . 2]" 1
685 1 64 PHE HZ 1 65 TYR HA . . 6.000 5.831 4.984 6.058 0.058 3 0 "[ . 1 . 2]" 1
686 1 64 PHE HZ 1 65 TYR QD . . 7.100 5.546 4.574 6.552 . 0 0 "[ . 1 . 2]" 1
687 1 64 PHE HZ 1 65 TYR QE . . 7.200 6.141 4.926 7.269 0.069 10 0 "[ . 1 . 2]" 1
688 1 64 PHE HZ 1 68 ILE HB . . 5.540 5.147 3.611 5.575 0.035 19 0 "[ . 1 . 2]" 1
689 1 64 PHE HZ 1 68 ILE MG . . 5.900 4.506 3.496 4.941 . 0 0 "[ . 1 . 2]" 1
690 1 64 PHE HZ 1 68 ILE HG12 . . 4.740 4.000 2.872 4.766 0.026 19 0 "[ . 1 . 2]" 1
691 1 64 PHE HZ 1 68 ILE HG13 . . 4.890 3.544 2.473 4.946 0.056 20 0 "[ . 1 . 2]" 1
692 1 64 PHE HZ 1 68 ILE MD . . 6.200 3.495 2.100 4.458 . 0 0 "[ . 1 . 2]" 1
693 1 64 PHE HZ 1 111 VAL MG2 . . 6.300 3.777 2.159 6.014 . 0 0 "[ . 1 . 2]" 1
694 1 65 TYR H 1 65 TYR HB2 . . 3.680 2.439 2.019 2.729 . 0 0 "[ . 1 . 2]" 1
695 1 65 TYR H 1 65 TYR HB3 . . 3.700 3.429 2.479 3.643 . 0 0 "[ . 1 . 2]" 1
696 1 65 TYR H 1 66 PHE H . . 4.270 2.826 2.732 2.973 . 0 0 "[ . 1 . 2]" 1
697 1 65 TYR HA 1 66 PHE HA . . 5.420 4.813 4.750 4.868 . 0 0 "[ . 1 . 2]" 1
698 1 65 TYR HA 1 66 PHE QD . . 7.500 5.987 4.903 6.774 . 0 0 "[ . 1 . 2]" 1
699 1 65 TYR HA 1 68 ILE H . . 5.220 3.694 3.483 3.919 . 0 0 "[ . 1 . 2]" 1
700 1 65 TYR HA 1 68 ILE HB . . 4.970 3.205 2.687 4.480 . 0 0 "[ . 1 . 2]" 1
701 1 65 TYR HA 1 68 ILE MG . . 5.820 4.345 2.279 4.836 . 0 0 "[ . 1 . 2]" 1
702 1 65 TYR HB2 1 66 PHE H . . 4.240 2.828 2.417 3.833 . 0 0 "[ . 1 . 2]" 1
703 1 65 TYR HB3 1 66 PHE H . . 4.200 3.364 2.523 3.862 . 0 0 "[ . 1 . 2]" 1
704 1 65 TYR HB3 1 66 PHE HA . . 4.740 4.304 3.887 4.602 . 0 0 "[ . 1 . 2]" 1
705 1 65 TYR HB3 1 66 PHE QD . . 6.820 4.838 2.924 6.414 . 0 0 "[ . 1 . 2]" 1
706 1 65 TYR QD 1 66 PHE H . . 7.060 4.467 4.261 4.637 . 0 0 "[ . 1 . 2]" 1
707 1 65 TYR QD 1 66 PHE QD . . 9.270 5.603 3.821 7.112 . 0 0 "[ . 1 . 2]" 1
708 1 65 TYR QD 1 68 ILE HG12 . . 7.230 5.499 4.862 7.285 0.055 11 0 "[ . 1 . 2]" 1
709 1 65 TYR QD 1 80 LEU HG . . 6.420 5.405 4.416 6.256 . 0 0 "[ . 1 . 2]" 1
710 1 65 TYR QD 1 91 THR MG . . 7.050 3.603 2.422 6.111 . 0 0 "[ . 1 . 2]" 1
711 1 65 TYR QE 1 80 LEU HG . . 7.100 5.726 2.598 7.151 0.051 5 0 "[ . 1 . 2]" 1
712 1 65 TYR QE 1 81 PHE HA . . 6.000 4.895 3.409 6.057 0.057 20 0 "[ . 1 . 2]" 1
713 1 65 TYR QE 1 81 PHE QB . . 7.900 5.999 4.933 6.799 . 0 0 "[ . 1 . 2]" 1
714 1 65 TYR QE 1 82 PHE H . . 6.620 4.358 3.407 4.916 . 0 0 "[ . 1 . 2]" 1
715 1 65 TYR QE 1 82 PHE QB . . 7.090 2.694 2.218 4.357 . 0 0 "[ . 1 . 2]" 1
716 1 65 TYR QE 1 82 PHE QD . . 9.120 3.138 2.540 3.625 . 0 0 "[ . 1 . 2]" 1
717 1 65 TYR QE 1 91 THR MG . . 7.050 3.354 2.209 6.510 . 0 0 "[ . 1 . 2]" 1
718 1 66 PHE H 1 66 PHE HB2 . . 3.570 2.323 2.184 2.485 . 0 0 "[ . 1 . 2]" 1
719 1 66 PHE H 1 66 PHE HB3 . . 3.780 3.257 2.384 3.645 . 0 0 "[ . 1 . 2]" 1
720 1 66 PHE HA 1 69 ARG H . . 4.780 3.523 3.300 3.793 . 0 0 "[ . 1 . 2]" 1
721 1 66 PHE HA 1 69 ARG HB2 . . 4.980 3.336 2.272 5.021 0.041 16 0 "[ . 1 . 2]" 1
722 1 66 PHE HA 1 69 ARG HB3 . . 4.710 3.077 2.387 4.364 . 0 0 "[ . 1 . 2]" 1
723 1 66 PHE HB2 1 67 LEU H . . 4.050 3.148 2.617 4.009 . 0 0 "[ . 1 . 2]" 1
724 1 66 PHE HB3 1 67 LEU H . . 4.410 3.143 2.570 3.737 . 0 0 "[ . 1 . 2]" 1
725 1 66 PHE HB3 1 67 LEU MD1 . . 6.210 4.432 2.821 6.275 0.065 5 0 "[ . 1 . 2]" 1
726 1 66 PHE QD 1 67 LEU H . . 7.150 4.347 3.581 4.739 . 0 0 "[ . 1 . 2]" 1
727 1 66 PHE QD 1 67 LEU MD1 . . 7.360 5.033 2.570 6.607 . 0 0 "[ . 1 . 2]" 1
728 1 66 PHE QD 1 70 LYS QD . . 7.690 5.591 3.363 7.434 . 0 0 "[ . 1 . 2]" 1
729 1 66 PHE QD 1 70 LYS QE . . 8.130 5.993 3.348 7.944 . 0 0 "[ . 1 . 2]" 1
730 1 67 LEU H 1 67 LEU HB2 . . 3.590 2.279 2.072 2.651 . 0 0 "[ . 1 . 2]" 1
731 1 67 LEU H 1 67 LEU HB3 . . 4.140 3.324 2.615 3.697 . 0 0 "[ . 1 . 2]" 1
732 1 67 LEU H 1 67 LEU MD1 . . 5.360 3.469 2.527 4.041 . 0 0 "[ . 1 . 2]" 1
733 1 67 LEU H 1 68 ILE H . . 3.810 2.846 2.723 2.944 . 0 0 "[ . 1 . 2]" 1
734 1 67 LEU HA 1 67 LEU MD1 . . 4.460 2.305 2.028 3.901 . 0 0 "[ . 1 . 2]" 1
735 1 67 LEU HA 1 68 ILE HA . . 5.500 4.725 4.609 4.852 . 0 0 "[ . 1 . 2]" 1
736 1 67 LEU HA 1 70 LYS HG2 . . 5.800 4.414 2.136 5.845 0.045 8 0 "[ . 1 . 2]" 1
737 1 67 LEU HB2 1 68 ILE H . . 4.470 3.036 2.447 3.895 . 0 0 "[ . 1 . 2]" 1
738 1 67 LEU HB2 1 68 ILE MD . . 6.100 4.387 2.836 6.171 0.071 11 0 "[ . 1 . 2]" 1
739 1 67 LEU HB3 1 68 ILE H . . 5.000 3.024 2.469 3.524 . 0 0 "[ . 1 . 2]" 1
740 1 67 LEU MD1 1 70 LYS QD . . 6.900 4.161 2.251 6.632 . 0 0 "[ . 1 . 2]" 1
741 1 67 LEU MD1 1 70 LYS QE . . 6.960 4.357 1.927 7.039 0.079 6 0 "[ . 1 . 2]" 1
742 1 68 ILE H 1 68 ILE HB . . 4.050 2.449 2.217 2.645 . 0 0 "[ . 1 . 2]" 1
743 1 68 ILE H 1 68 ILE HG12 . . 4.530 2.730 2.142 4.594 0.064 11 0 "[ . 1 . 2]" 1
744 1 68 ILE H 1 68 ILE HG13 . . 4.640 3.768 3.555 4.302 . 0 0 "[ . 1 . 2]" 1
745 1 68 ILE H 1 68 ILE MD . . 5.670 3.214 2.090 4.255 . 0 0 "[ . 1 . 2]" 1
746 1 68 ILE H 1 69 ARG H . . 4.370 2.781 2.612 2.965 . 0 0 "[ . 1 . 2]" 1
747 1 68 ILE H 1 71 ARG H . . 5.090 4.745 4.596 4.935 . 0 0 "[ . 1 . 2]" 1
748 1 68 ILE HA 1 68 ILE MD . . 4.610 2.300 2.112 3.482 . 0 0 "[ . 1 . 2]" 1
749 1 68 ILE HA 1 71 ARG H . . 4.510 3.221 2.876 3.434 . 0 0 "[ . 1 . 2]" 1
750 1 68 ILE HA 1 71 ARG HB2 . . 4.060 2.730 2.213 3.524 . 0 0 "[ . 1 . 2]" 1
751 1 68 ILE HA 1 71 ARG HB3 . . 4.980 3.353 2.246 4.282 . 0 0 "[ . 1 . 2]" 1
752 1 68 ILE HA 1 71 ARG QG . . 5.600 3.717 2.748 4.755 . 0 0 "[ . 1 . 2]" 1
753 1 68 ILE HA 1 72 ILE H . . 5.110 4.020 3.775 4.290 . 0 0 "[ . 1 . 2]" 1
754 1 68 ILE HB 1 69 ARG H . . 4.590 2.833 2.510 4.015 . 0 0 "[ . 1 . 2]" 1
755 1 68 ILE MG 1 69 ARG H . . 5.780 3.317 2.393 3.714 . 0 0 "[ . 1 . 2]" 1
756 1 68 ILE MG 1 71 ARG HB2 . . 5.410 4.124 2.940 5.169 . 0 0 "[ . 1 . 2]" 1
757 1 68 ILE MG 1 113 TYR QD . . 7.320 4.131 3.287 5.484 . 0 0 "[ . 1 . 2]" 1
758 1 68 ILE MG 1 113 TYR QE . . 7.870 4.367 3.586 6.003 . 0 0 "[ . 1 . 2]" 1
759 1 68 ILE HG13 2 14 ILE MD . . 7.100 6.072 3.464 7.168 0.068 20 0 "[ . 1 . 2]" 1
760 1 68 ILE MD 1 71 ARG QD . . 6.580 4.517 2.560 6.305 . 0 0 "[ . 1 . 2]" 1
761 1 68 ILE MD 2 14 ILE MD . . 7.700 3.855 2.039 6.011 . 0 0 "[ . 1 . 2]" 1
762 1 69 ARG H 1 69 ARG HB2 . . 3.980 2.596 2.251 3.721 . 0 0 "[ . 1 . 2]" 1
763 1 69 ARG H 1 69 ARG HG2 . . 4.630 4.108 2.557 4.608 . 0 0 "[ . 1 . 2]" 1
764 1 69 ARG H 1 70 LYS H . . 4.420 2.903 2.741 3.082 . 0 0 "[ . 1 . 2]" 1
765 1 69 ARG H 1 71 ARG H . . 5.450 4.283 3.995 4.493 . 0 0 "[ . 1 . 2]" 1
766 1 69 ARG HA 1 70 LYS HA . . 5.430 4.777 4.635 4.872 . 0 0 "[ . 1 . 2]" 1
767 1 69 ARG HA 1 72 ILE H . . 4.900 3.599 3.332 3.829 . 0 0 "[ . 1 . 2]" 1
768 1 69 ARG HA 1 72 ILE HG12 . . 4.870 2.277 2.063 2.535 . 0 0 "[ . 1 . 2]" 1
769 1 69 ARG HA 1 72 ILE HG13 . . 3.970 3.272 2.599 3.618 . 0 0 "[ . 1 . 2]" 1
770 1 69 ARG HA 1 72 ILE MD . . 5.260 2.741 2.216 3.222 . 0 0 "[ . 1 . 2]" 1
771 1 69 ARG HA 1 74 LEU MD1 . . 5.430 3.792 2.920 4.695 . 0 0 "[ . 1 . 2]" 1
772 1 69 ARG HA 1 80 LEU HG . . 6.000 5.660 4.963 6.065 0.065 16 0 "[ . 1 . 2]" 1
773 1 69 ARG HB2 1 70 LYS H . . 4.410 3.633 2.421 4.138 . 0 0 "[ . 1 . 2]" 1
774 1 69 ARG HB3 1 70 LYS H . . 5.240 2.948 2.350 4.189 . 0 0 "[ . 1 . 2]" 1
775 1 69 ARG HB3 1 74 LEU MD1 . . 5.600 4.248 2.200 5.655 0.055 17 0 "[ . 1 . 2]" 1
776 1 69 ARG HG3 1 74 LEU MD1 . . 6.300 2.990 2.147 5.943 . 0 0 "[ . 1 . 2]" 1
777 1 70 LYS H 1 70 LYS HB2 . . 3.600 2.770 2.168 3.656 0.056 11 0 "[ . 1 . 2]" 1
778 1 70 LYS H 1 70 LYS HG2 . . 4.500 3.810 2.134 4.556 0.056 6 0 "[ . 1 . 2]" 1
779 1 70 LYS H 1 70 LYS HG3 . . 4.900 4.089 2.331 4.609 . 0 0 "[ . 1 . 2]" 1
780 1 70 LYS H 1 70 LYS QD . . 5.160 4.238 3.441 4.691 . 0 0 "[ . 1 . 2]" 1
781 1 70 LYS H 1 71 ARG H . . 3.400 2.744 2.651 2.829 . 0 0 "[ . 1 . 2]" 1
782 1 70 LYS HA 1 70 LYS HG2 . . 3.880 3.282 2.336 3.923 0.043 18 0 "[ . 1 . 2]" 1
783 1 70 LYS HA 1 70 LYS HG3 . . 3.990 3.137 2.420 3.834 . 0 0 "[ . 1 . 2]" 1
784 1 71 ARG H 1 71 ARG HB2 . . 3.310 2.334 2.116 2.511 . 0 0 "[ . 1 . 2]" 1
785 1 71 ARG H 1 71 ARG QD . . 5.740 4.082 2.190 5.045 . 0 0 "[ . 1 . 2]" 1
786 1 71 ARG H 1 72 ILE H . . 3.940 2.866 2.778 3.005 . 0 0 "[ . 1 . 2]" 1
787 1 71 ARG HB2 1 72 ILE H . . 4.130 3.432 2.701 4.131 0.001 14 0 "[ . 1 . 2]" 1
788 1 72 ILE H 1 72 ILE HG12 . . 3.960 2.159 1.951 2.393 . 0 0 "[ . 1 . 2]" 1
789 1 72 ILE H 1 72 ILE HG13 . . 3.820 3.249 2.661 3.482 . 0 0 "[ . 1 . 2]" 1
790 1 72 ILE H 1 74 LEU HG . . 4.900 4.843 4.485 4.962 0.062 17 0 "[ . 1 . 2]" 1
791 1 72 ILE HA 1 73 HIS HD2 . . 4.220 3.675 3.076 4.287 0.067 13 0 "[ . 1 . 2]" 1
792 1 72 ILE HB 1 73 HIS H . . 4.650 4.402 4.238 4.496 . 0 0 "[ . 1 . 2]" 1
793 1 72 ILE HB 1 74 LEU MD2 . . 5.600 4.279 2.690 5.405 . 0 0 "[ . 1 . 2]" 1
794 1 72 ILE MG 1 113 TYR QE . . 8.230 3.403 2.238 4.872 . 0 0 "[ . 1 . 2]" 1
795 1 72 ILE HG12 1 73 HIS H . . 4.760 3.654 3.145 4.214 . 0 0 "[ . 1 . 2]" 1
796 1 72 ILE HG12 1 74 LEU HG . . 4.170 3.313 2.661 3.811 . 0 0 "[ . 1 . 2]" 1
797 1 72 ILE HG13 1 73 HIS H . . 4.740 3.609 3.183 3.900 . 0 0 "[ . 1 . 2]" 1
798 1 72 ILE HG13 1 74 LEU HG . . 4.950 2.390 2.102 3.152 . 0 0 "[ . 1 . 2]" 1
799 1 72 ILE MD 1 74 LEU HG . . 5.270 2.856 2.421 3.424 . 0 0 "[ . 1 . 2]" 1
800 1 72 ILE MD 1 74 LEU MD1 . . 6.100 3.441 2.017 4.513 . 0 0 "[ . 1 . 2]" 1
801 1 72 ILE MD 1 74 LEU MD2 . . 5.670 2.280 1.999 3.677 . 0 0 "[ . 1 . 2]" 1
802 1 72 ILE MD 1 113 TYR QE . . 7.170 3.288 2.113 4.896 . 0 0 "[ . 1 . 2]" 1
803 1 73 HIS H 1 73 HIS HB3 . . 3.990 3.451 2.723 4.004 0.014 18 0 "[ . 1 . 2]" 1
804 1 73 HIS H 1 73 HIS HD2 . . 4.600 3.746 3.007 4.646 0.046 15 0 "[ . 1 . 2]" 1
805 1 73 HIS H 1 74 LEU H . . 3.810 3.156 2.831 3.545 . 0 0 "[ . 1 . 2]" 1
806 1 73 HIS H 1 74 LEU HG . . 4.840 4.599 4.123 4.880 0.040 11 0 "[ . 1 . 2]" 1
807 1 73 HIS HA 1 73 HIS HD2 . . 4.970 4.377 4.056 4.828 . 0 0 "[ . 1 . 2]" 1
808 1 73 HIS HB2 1 73 HIS HD2 . . 4.000 3.022 2.552 3.881 . 0 0 "[ . 1 . 2]" 1
809 1 73 HIS HB3 1 74 LEU H . . 4.700 4.490 3.947 4.694 . 0 0 "[ . 1 . 2]" 1
810 1 74 LEU H 1 74 LEU HB3 . . 3.960 3.067 2.641 3.787 . 0 0 "[ . 1 . 2]" 1
811 1 74 LEU H 1 74 LEU HG . . 3.720 2.264 2.003 2.885 . 0 0 "[ . 1 . 2]" 1
812 1 74 LEU H 1 74 LEU MD1 . . 5.430 3.199 2.468 4.011 . 0 0 "[ . 1 . 2]" 1
813 1 74 LEU H 1 74 LEU MD2 . . 5.490 3.602 2.999 3.918 . 0 0 "[ . 1 . 2]" 1
814 1 74 LEU HA 1 75 ARG H . . 3.180 2.345 2.250 2.433 . 0 0 "[ . 1 . 2]" 1
815 1 74 LEU HB2 1 75 ARG H . . 3.480 2.804 2.358 3.545 0.065 17 0 "[ . 1 . 2]" 1
816 1 74 LEU HB2 1 78 ASP HB2 . . 4.270 2.824 2.196 3.607 . 0 0 "[ . 1 . 2]" 1
817 1 74 LEU HB3 1 75 ARG H . . 4.270 3.324 2.351 3.797 . 0 0 "[ . 1 . 2]" 1
818 1 74 LEU HB3 1 78 ASP HB2 . . 4.990 3.653 2.061 4.676 . 0 0 "[ . 1 . 2]" 1
819 1 74 LEU MD1 1 75 ARG H . . 5.230 3.759 3.317 4.475 . 0 0 "[ . 1 . 2]" 1
820 1 74 LEU MD1 1 78 ASP H . . 5.850 4.297 3.463 5.292 . 0 0 "[ . 1 . 2]" 1
821 1 74 LEU MD1 1 78 ASP HB2 . . 4.970 2.957 2.186 3.939 . 0 0 "[ . 1 . 2]" 1
822 1 74 LEU MD1 1 79 ALA H . . 7.100 5.275 3.831 6.480 . 0 0 "[ . 1 . 2]" 1
823 1 74 LEU MD2 1 75 ARG H . . 6.200 4.081 3.403 4.563 . 0 0 "[ . 1 . 2]" 1
824 1 74 LEU MD2 1 78 ASP HB2 . . 5.200 3.264 2.364 4.100 . 0 0 "[ . 1 . 2]" 1
825 1 75 ARG H 1 75 ARG HB2 . . 4.040 2.633 2.191 3.644 . 0 0 "[ . 1 . 2]" 1
826 1 75 ARG H 1 75 ARG QD . . 6.080 3.406 1.872 4.227 . 0 0 "[ . 1 . 2]" 1
827 1 75 ARG H 1 77 GLU H . . 5.500 5.148 4.888 5.527 0.027 20 0 "[ . 1 . 2]" 1
828 1 75 ARG H 1 78 ASP H . . 4.580 4.029 3.656 4.444 . 0 0 "[ . 1 . 2]" 1
829 1 75 ARG H 1 78 ASP HB2 . . 3.960 2.984 2.332 3.433 . 0 0 "[ . 1 . 2]" 1
830 1 75 ARG HA 1 76 PRO HA . . 4.680 4.398 4.356 4.460 . 0 0 "[ . 1 . 2]" 1
831 1 75 ARG HA 1 76 PRO HD2 . . 3.580 2.680 2.459 2.924 . 0 0 "[ . 1 . 2]" 1
832 1 75 ARG HA 1 76 PRO HD3 . . 3.320 2.472 2.349 2.654 . 0 0 "[ . 1 . 2]" 1
833 1 75 ARG HB2 1 76 PRO HD2 . . 3.790 3.384 2.115 3.648 . 0 0 "[ . 1 . 2]" 1
834 1 75 ARG HB2 1 76 PRO HD3 . . 4.500 4.443 3.315 4.569 0.069 19 0 "[ . 1 . 2]" 1
835 1 75 ARG HB2 1 77 GLU H . . 4.880 3.231 2.927 3.642 . 0 0 "[ . 1 . 2]" 1
836 1 75 ARG HB3 1 76 PRO HD2 . . 4.820 2.232 1.988 3.799 . 0 0 "[ . 1 . 2]" 1
837 1 75 ARG HB3 1 76 PRO HD3 . . 4.630 3.531 3.278 4.683 0.053 17 0 "[ . 1 . 2]" 1
838 1 75 ARG HB3 1 77 GLU H . . 4.450 3.020 2.328 4.502 0.052 17 0 "[ . 1 . 2]" 1
839 1 75 ARG HB3 1 78 ASP H . . 4.500 3.854 3.346 4.554 0.054 8 0 "[ . 1 . 2]" 1
840 1 75 ARG QD 1 77 GLU H . . 6.140 4.898 3.758 5.892 . 0 0 "[ . 1 . 2]" 1
841 1 76 PRO HA 1 78 ASP HB2 . . 5.000 4.989 4.884 5.056 0.056 6 0 "[ . 1 . 2]" 1
842 1 76 PRO HG2 1 77 GLU H . . 5.190 2.634 2.321 3.063 . 0 0 "[ . 1 . 2]" 1
843 1 76 PRO HG3 1 77 GLU H . . 5.170 4.122 3.900 4.512 . 0 0 "[ . 1 . 2]" 1
844 1 76 PRO HD2 1 77 GLU H . . 4.240 2.742 2.547 2.997 . 0 0 "[ . 1 . 2]" 1
845 1 76 PRO HD2 1 78 ASP H . . 5.080 4.582 4.262 4.837 . 0 0 "[ . 1 . 2]" 1
846 1 76 PRO HD3 1 77 GLU H . . 4.910 3.904 3.769 4.142 . 0 0 "[ . 1 . 2]" 1
847 1 77 GLU H 1 77 GLU QG . . 4.530 2.936 1.991 4.082 . 0 0 "[ . 1 . 2]" 1
848 1 77 GLU H 1 78 ASP H . . 3.680 2.569 2.416 2.761 . 0 0 "[ . 1 . 2]" 1
849 1 77 GLU QG 1 78 ASP H . . 5.400 4.406 4.035 4.894 . 0 0 "[ . 1 . 2]" 1
850 1 78 ASP H 1 78 ASP HB2 . . 3.210 2.355 2.258 2.448 . 0 0 "[ . 1 . 2]" 1
851 1 78 ASP H 1 79 ALA H . . 4.820 4.614 4.481 4.722 . 0 0 "[ . 1 . 2]" 1
852 1 78 ASP HA 1 79 ALA H . . 3.130 2.282 2.089 2.499 . 0 0 "[ . 1 . 2]" 1
853 1 78 ASP HA 1 79 ALA HA . . 4.620 4.437 4.364 4.539 . 0 0 "[ . 1 . 2]" 1
854 1 78 ASP HA 1 79 ALA MB . . 5.230 3.949 3.886 4.028 . 0 0 "[ . 1 . 2]" 1
855 1 78 ASP HB2 1 79 ALA H . . 4.890 4.044 3.793 4.336 . 0 0 "[ . 1 . 2]" 1
856 1 78 ASP HB3 1 79 ALA H . . 3.770 2.888 2.543 3.392 . 0 0 "[ . 1 . 2]" 1
857 1 78 ASP HB3 1 79 ALA MB . . 5.600 4.574 4.365 4.906 . 0 0 "[ . 1 . 2]" 1
858 1 78 ASP HB3 1 80 LEU HB2 . . 5.180 4.920 3.898 5.239 0.059 12 0 "[ . 1 . 2]" 1
859 1 79 ALA H 1 80 LEU H . . 4.880 4.480 3.721 4.676 . 0 0 "[ . 1 . 2]" 1
860 1 79 ALA HA 1 80 LEU H . . 3.280 2.448 2.131 2.658 . 0 0 "[ . 1 . 2]" 1
861 1 79 ALA HA 1 80 LEU HA . . 4.850 4.561 4.454 4.669 . 0 0 "[ . 1 . 2]" 1
862 1 79 ALA HA 1 80 LEU HB2 . . 4.930 4.313 3.964 4.837 . 0 0 "[ . 1 . 2]" 1
863 1 79 ALA HA 1 80 LEU HB3 . . 5.500 4.550 4.274 4.889 . 0 0 "[ . 1 . 2]" 1
864 1 79 ALA HA 1 81 PHE QE . . 7.150 4.670 3.199 5.550 . 0 0 "[ . 1 . 2]" 1
865 1 79 ALA HA 1 115 ASP HA . . 5.500 5.363 4.856 5.560 0.060 3 0 "[ . 1 . 2]" 1
866 1 79 ALA MB 1 81 PHE QD . . 7.670 3.541 3.238 3.956 . 0 0 "[ . 1 . 2]" 1
867 1 79 ALA MB 1 81 PHE QE . . 6.670 2.396 2.061 3.099 . 0 0 "[ . 1 . 2]" 1
868 1 79 ALA MB 1 115 ASP HA . . 5.190 3.797 3.112 4.337 . 0 0 "[ . 1 . 2]" 1
869 1 79 ALA MB 1 115 ASP HB2 . . 6.600 5.173 4.152 6.023 . 0 0 "[ . 1 . 2]" 1
870 1 79 ALA MB 1 115 ASP HB3 . . 6.900 5.070 4.270 6.009 . 0 0 "[ . 1 . 2]" 1
871 1 80 LEU HA 1 80 LEU MD1 . . 4.580 2.341 2.077 3.509 . 0 0 "[ . 1 . 2]" 1
872 1 80 LEU HA 1 81 PHE H . . 3.500 2.190 2.052 2.279 . 0 0 "[ . 1 . 2]" 1
873 1 80 LEU HA 1 81 PHE QD . . 6.910 3.998 3.250 4.696 . 0 0 "[ . 1 . 2]" 1
874 1 80 LEU HB2 1 81 PHE H . . 4.860 4.363 4.098 4.546 . 0 0 "[ . 1 . 2]" 1
875 1 80 LEU HB3 1 81 PHE H . . 4.600 4.199 3.706 4.364 . 0 0 "[ . 1 . 2]" 1
876 1 80 LEU HG 1 81 PHE H . . 5.320 3.098 2.588 3.600 . 0 0 "[ . 1 . 2]" 1
877 1 80 LEU HG 1 81 PHE HA . . 4.810 4.135 3.760 4.733 . 0 0 "[ . 1 . 2]" 1
878 1 80 LEU HG 1 113 TYR HB2 . . 4.950 4.177 3.206 4.784 . 0 0 "[ . 1 . 2]" 1
879 1 80 LEU HG 1 113 TYR HB3 . . 5.800 5.487 4.746 5.866 0.066 13 0 "[ . 1 . 2]" 1
880 1 80 LEU HG 1 113 TYR QD . . 6.900 4.841 2.491 6.158 . 0 0 "[ . 1 . 2]" 1
881 1 80 LEU HG 1 114 SER H . . 5.070 4.605 3.713 5.134 0.064 7 0 "[ . 1 . 2]" 1
882 1 80 LEU MD1 1 81 PHE H . . 5.030 2.995 2.145 4.296 . 0 0 "[ . 1 . 2]" 1
883 1 80 LEU MD1 1 113 TYR HA . . 6.100 4.702 3.711 6.149 0.049 12 0 "[ . 1 . 2]" 1
884 1 80 LEU MD1 1 113 TYR HB2 . . 5.040 3.235 2.247 4.602 . 0 0 "[ . 1 . 2]" 1
885 1 80 LEU MD1 1 113 TYR HB3 . . 6.100 4.524 3.375 5.642 . 0 0 "[ . 1 . 2]" 1
886 1 80 LEU MD1 1 113 TYR QD . . 6.740 3.012 2.094 4.531 . 0 0 "[ . 1 . 2]" 1
887 1 80 LEU MD1 1 114 SER H . . 5.460 3.704 2.564 5.525 0.065 12 0 "[ . 1 . 2]" 1
888 1 80 LEU MD1 1 115 ASP HA . . 5.160 3.519 2.153 5.152 . 0 0 "[ . 1 . 2]" 1
889 1 81 PHE HA 1 82 PHE QB . . 5.500 4.198 3.773 4.425 . 0 0 "[ . 1 . 2]" 1
890 1 81 PHE HA 1 88 ILE MG . . 6.600 5.296 4.662 5.837 . 0 0 "[ . 1 . 2]" 1
891 1 81 PHE HA 1 113 TYR HA . . 5.800 5.678 5.551 5.863 0.063 3 0 "[ . 1 . 2]" 1
892 1 81 PHE QB 1 83 PHE QD . . 7.870 4.107 3.633 4.722 . 0 0 "[ . 1 . 2]" 1
893 1 81 PHE QB 1 83 PHE QE . . 7.300 2.945 2.119 4.705 . 0 0 "[ . 1 . 2]" 1
894 1 81 PHE QB 1 88 ILE MG . . 6.560 4.360 3.527 5.525 . 0 0 "[ . 1 . 2]" 1
895 1 81 PHE QB 1 88 ILE MD . . 6.300 4.452 3.236 5.211 . 0 0 "[ . 1 . 2]" 1
896 1 81 PHE QB 1 114 SER H . . 5.410 3.690 3.153 4.242 . 0 0 "[ . 1 . 2]" 1
897 1 81 PHE QB 1 117 SER HA . . 5.580 3.786 2.704 4.967 . 0 0 "[ . 1 . 2]" 1
898 1 81 PHE QD 1 82 PHE H . . 7.170 3.838 3.428 4.222 . 0 0 "[ . 1 . 2]" 1
899 1 81 PHE QD 1 88 ILE MG . . 7.150 4.369 3.997 5.027 . 0 0 "[ . 1 . 2]" 1
900 1 81 PHE QD 1 88 ILE MD . . 6.970 4.844 3.783 5.704 . 0 0 "[ . 1 . 2]" 1
901 1 81 PHE QD 1 114 SER H . . 6.870 5.092 4.637 5.690 . 0 0 "[ . 1 . 2]" 1
902 1 81 PHE QD 1 114 SER HB2 . . 7.900 5.381 3.140 6.558 . 0 0 "[ . 1 . 2]" 1
903 1 81 PHE QD 1 116 GLU H . . 6.750 4.275 3.231 5.611 . 0 0 "[ . 1 . 2]" 1
904 1 81 PHE QD 1 116 GLU HA . . 6.410 3.164 2.082 4.739 . 0 0 "[ . 1 . 2]" 1
905 1 81 PHE QD 1 116 GLU HB3 . . 7.100 5.484 4.751 6.715 . 0 0 "[ . 1 . 2]" 1
906 1 81 PHE QD 1 117 SER HA . . 6.790 4.120 2.453 5.262 . 0 0 "[ . 1 . 2]" 1
907 1 81 PHE QD 1 117 SER HB2 . . 7.150 4.802 3.141 6.528 . 0 0 "[ . 1 . 2]" 1
908 1 81 PHE QD 1 117 SER HB3 . . 6.700 4.320 2.496 6.116 . 0 0 "[ . 1 . 2]" 1
909 1 81 PHE QD 1 118 VAL H . . 7.100 5.773 4.414 6.880 . 0 0 "[ . 1 . 2]" 1
910 1 81 PHE QE 1 116 GLU HA . . 6.400 3.223 2.260 4.652 . 0 0 "[ . 1 . 2]" 1
911 1 81 PHE QE 1 116 GLU HB2 . . 6.900 5.245 4.212 6.952 0.052 2 0 "[ . 1 . 2]" 1
912 1 81 PHE QE 1 117 SER H . . 5.930 3.831 2.637 5.171 . 0 0 "[ . 1 . 2]" 1
913 1 81 PHE QE 1 117 SER HB2 . . 6.850 5.271 4.067 6.895 0.045 17 0 "[ . 1 . 2]" 1
914 1 81 PHE QE 1 117 SER HB3 . . 6.960 4.696 2.755 6.317 . 0 0 "[ . 1 . 2]" 1
915 1 82 PHE H 1 83 PHE H . . 5.040 4.379 4.250 4.463 . 0 0 "[ . 1 . 2]" 1
916 1 82 PHE H 1 88 ILE MG . . 5.730 4.225 3.528 4.827 . 0 0 "[ . 1 . 2]" 1
917 1 82 PHE HA 1 83 PHE H . . 3.340 2.238 2.141 2.292 . 0 0 "[ . 1 . 2]" 1
918 1 82 PHE HA 1 111 VAL MG2 . . 7.100 5.112 3.312 6.647 . 0 0 "[ . 1 . 2]" 1
919 1 82 PHE HA 1 113 TYR HA . . 4.160 2.418 2.219 2.861 . 0 0 "[ . 1 . 2]" 1
920 1 82 PHE HA 1 114 SER H . . 4.940 3.755 3.511 3.976 . 0 0 "[ . 1 . 2]" 1
921 1 82 PHE QB 1 88 ILE HA . . 6.600 5.581 4.934 6.622 0.022 10 0 "[ . 1 . 2]" 1
922 1 82 PHE QB 1 88 ILE MG . . 6.980 4.929 3.953 5.979 . 0 0 "[ . 1 . 2]" 1
923 1 82 PHE QB 1 89 PRO HD2 . . 5.390 4.693 4.131 5.448 0.058 10 0 "[ . 1 . 2]" 1
924 1 82 PHE QB 1 89 PRO HD3 . . 6.100 5.871 5.014 6.161 0.061 14 0 "[ . 1 . 2]" 1
925 1 82 PHE QB 1 111 VAL MG1 . . 7.200 4.281 2.591 5.300 . 0 0 "[ . 1 . 2]" 1
926 1 82 PHE QB 1 111 VAL MG2 . . 6.800 3.871 2.140 6.384 . 0 0 "[ . 1 . 2]" 1
927 1 82 PHE QD 1 83 PHE H . . 6.050 4.028 3.412 4.705 . 0 0 "[ . 1 . 2]" 1
928 1 82 PHE QD 1 111 VAL MG2 . . 7.390 3.598 1.964 5.834 . 0 0 "[ . 1 . 2]" 1
929 1 82 PHE QD 1 112 ALA H . . 7.240 4.843 4.261 6.165 . 0 0 "[ . 1 . 2]" 1
930 1 82 PHE QE 1 111 VAL MG2 . . 8.040 4.697 3.054 7.293 . 0 0 "[ . 1 . 2]" 1
931 1 82 PHE QE 1 113 TYR QD . . 8.130 4.425 3.473 7.875 . 0 0 "[ . 1 . 2]" 1
932 1 83 PHE H 1 83 PHE QE . . 7.240 4.880 4.157 5.708 . 0 0 "[ . 1 . 2]" 1
933 1 83 PHE H 1 111 VAL HA . . 5.230 4.599 4.262 5.062 . 0 0 "[ . 1 . 2]" 1
934 1 83 PHE H 1 111 VAL MG2 . . 6.300 4.329 2.884 5.619 . 0 0 "[ . 1 . 2]" 1
935 1 83 PHE H 1 112 ALA H . . 3.980 2.939 2.568 3.293 . 0 0 "[ . 1 . 2]" 1
936 1 83 PHE H 1 112 ALA MB . . 5.640 3.439 2.934 3.892 . 0 0 "[ . 1 . 2]" 1
937 1 83 PHE H 1 113 TYR HA . . 4.500 3.673 3.405 4.199 . 0 0 "[ . 1 . 2]" 1
938 1 83 PHE HA 1 84 VAL H . . 3.170 2.294 2.178 2.375 . 0 0 "[ . 1 . 2]" 1
939 1 83 PHE HA 1 84 VAL HB . . 5.430 4.737 4.496 5.501 0.071 10 0 "[ . 1 . 2]" 1
940 1 83 PHE HA 1 84 VAL MG1 . . 5.620 3.419 3.230 3.744 . 0 0 "[ . 1 . 2]" 1
941 1 83 PHE HA 1 87 THR H . . 4.430 4.366 3.777 4.491 0.061 10 0 "[ . 1 . 2]" 1
942 1 83 PHE HA 1 89 PRO HD3 . . 4.380 3.964 2.610 4.425 0.045 8 0 "[ . 1 . 2]" 1
943 1 83 PHE QB 1 86 ASN HA . . 5.170 3.286 2.691 3.894 . 0 0 "[ . 1 . 2]" 1
944 1 83 PHE QB 1 87 THR H . . 5.180 3.547 3.019 3.969 . 0 0 "[ . 1 . 2]" 1
945 1 83 PHE QB 1 110 TYR QE . . 7.780 4.978 3.880 6.485 . 0 0 "[ . 1 . 2]" 1
946 1 83 PHE QB 1 112 ALA H . . 5.360 3.641 3.149 4.909 . 0 0 "[ . 1 . 2]" 1
947 1 83 PHE QB 1 112 ALA MB . . 5.580 2.766 2.212 4.562 . 0 0 "[ . 1 . 2]" 1
948 1 83 PHE QD 1 84 VAL H . . 7.050 4.268 3.579 4.933 . 0 0 "[ . 1 . 2]" 1
949 1 83 PHE QD 1 88 ILE H . . 7.380 5.135 4.673 6.819 . 0 0 "[ . 1 . 2]" 1
950 1 83 PHE QD 1 88 ILE HG12 . . 6.900 2.480 2.102 4.443 . 0 0 "[ . 1 . 2]" 1
951 1 83 PHE QD 1 88 ILE HG13 . . 6.590 3.618 2.892 5.589 . 0 0 "[ . 1 . 2]" 1
952 1 83 PHE QD 1 112 ALA MB . . 7.530 3.334 2.378 4.452 . 0 0 "[ . 1 . 2]" 1
953 1 83 PHE QD 1 114 SER HB2 . . 7.100 4.901 3.114 5.802 . 0 0 "[ . 1 . 2]" 1
954 1 83 PHE QE 1 88 ILE MG . . 8.200 3.751 2.183 6.711 . 0 0 "[ . 1 . 2]" 1
955 1 83 PHE QE 1 88 ILE HG12 . . 7.090 3.269 2.308 6.335 . 0 0 "[ . 1 . 2]" 1
956 1 83 PHE QE 1 88 ILE MD . . 7.100 2.596 2.140 6.085 . 0 0 "[ . 1 . 2]" 1
957 1 83 PHE QE 1 114 SER H . . 6.880 4.527 2.570 6.627 . 0 0 "[ . 1 . 2]" 1
958 1 83 PHE QE 1 114 SER HB2 . . 6.550 3.827 2.413 5.909 . 0 0 "[ . 1 . 2]" 1
959 1 83 PHE QE 1 114 SER HB3 . . 6.850 3.748 2.178 5.279 . 0 0 "[ . 1 . 2]" 1
960 1 83 PHE QE 1 117 SER HB2 . . 6.960 4.438 3.433 5.955 . 0 0 "[ . 1 . 2]" 1
961 1 83 PHE QE 1 117 SER HB3 . . 6.720 4.588 2.313 6.762 0.042 4 0 "[ . 1 . 2]" 1
962 1 84 VAL H 1 84 VAL HB . . 3.810 3.434 3.128 3.862 0.052 10 0 "[ . 1 . 2]" 1
963 1 84 VAL H 1 86 ASN H . . 4.830 4.115 3.296 4.878 0.048 1 0 "[ . 1 . 2]" 1
964 1 84 VAL H 1 87 THR H . . 3.580 2.787 2.537 3.390 . 0 0 "[ . 1 . 2]" 1
965 1 84 VAL H 1 88 ILE HA . . 5.190 4.009 3.598 4.556 . 0 0 "[ . 1 . 2]" 1
966 1 84 VAL H 1 89 PRO HD2 . . 4.940 4.032 3.245 4.867 . 0 0 "[ . 1 . 2]" 1
967 1 84 VAL H 1 89 PRO HD3 . . 4.230 3.433 2.512 3.941 . 0 0 "[ . 1 . 2]" 1
968 1 84 VAL HA 1 85 ASN H . . 3.620 2.220 2.109 2.395 . 0 0 "[ . 1 . 2]" 1
969 1 84 VAL HA 1 85 ASN HA . . 4.980 4.379 4.294 4.538 . 0 0 "[ . 1 . 2]" 1
970 1 84 VAL HA 1 86 ASN H . . 4.990 4.029 3.504 4.629 . 0 0 "[ . 1 . 2]" 1
971 1 84 VAL HA 1 87 THR H . . 4.690 4.536 4.347 4.733 0.043 1 0 "[ . 1 . 2]" 1
972 1 84 VAL HB 1 87 THR H . . 5.910 5.629 5.414 5.780 . 0 0 "[ . 1 . 2]" 1
973 1 84 VAL HB 1 89 PRO HD3 . . 5.010 4.828 4.390 5.073 0.063 10 0 "[ . 1 . 2]" 1
974 1 84 VAL HB 1 98 LEU HB2 . . 5.400 4.906 4.110 5.451 0.051 14 0 "[ . 1 . 2]" 1
975 1 84 VAL MG1 1 85 ASN H . . 6.010 4.221 4.007 4.404 . 0 0 "[ . 1 . 2]" 1
976 1 84 VAL MG1 1 89 PRO HD3 . . 5.360 2.273 1.958 3.185 . 0 0 "[ . 1 . 2]" 1
977 1 84 VAL MG1 1 111 VAL MG1 . . 5.900 4.644 3.482 5.972 0.072 20 0 "[ . 1 . 2]" 1
978 1 84 VAL MG2 1 85 ASN H . . 5.620 2.793 2.493 3.736 . 0 0 "[ . 1 . 2]" 1
979 1 84 VAL MG2 1 85 ASN HA . . 5.970 4.253 3.950 4.973 . 0 0 "[ . 1 . 2]" 1
980 1 84 VAL MG2 1 85 ASN HB2 . . 5.820 3.065 2.518 4.087 . 0 0 "[ . 1 . 2]" 1
981 1 84 VAL MG2 1 85 ASN HB3 . . 5.180 3.322 2.825 4.517 . 0 0 "[ . 1 . 2]" 1
982 1 84 VAL MG2 1 85 ASN HD21 . . 5.960 4.636 1.910 5.489 . 0 0 "[ . 1 . 2]" 1
983 1 84 VAL MG2 1 87 THR H . . 5.900 4.599 3.990 5.013 . 0 0 "[ . 1 . 2]" 1
984 1 84 VAL MG2 1 98 LEU HA . . 6.600 4.732 3.984 5.374 . 0 0 "[ . 1 . 2]" 1
985 1 84 VAL MG2 1 98 LEU HB3 . . 6.100 4.185 3.609 4.749 . 0 0 "[ . 1 . 2]" 1
986 1 84 VAL MG2 1 102 ASN H . . 6.900 5.196 4.373 6.105 . 0 0 "[ . 1 . 2]" 1
987 1 84 VAL MG2 1 102 ASN HA . . 7.100 5.360 4.293 6.629 . 0 0 "[ . 1 . 2]" 1
988 1 84 VAL MG2 1 102 ASN QB . . 5.440 3.299 2.345 4.135 . 0 0 "[ . 1 . 2]" 1
989 1 84 VAL MG2 1 102 ASN HD21 . . 5.650 4.143 2.485 5.178 . 0 0 "[ . 1 . 2]" 1
990 1 84 VAL MG2 1 109 LEU HB3 . . 5.530 4.430 3.324 5.608 0.078 10 0 "[ . 1 . 2]" 1
991 1 84 VAL MG2 1 109 LEU HG . . 4.970 4.164 3.942 4.652 . 0 0 "[ . 1 . 2]" 1
992 1 84 VAL MG2 1 111 VAL MG1 . . 6.020 4.170 2.215 5.473 . 0 0 "[ . 1 . 2]" 1
993 1 85 ASN H 1 86 ASN H . . 4.440 3.055 2.780 3.401 . 0 0 "[ . 1 . 2]" 1
994 1 85 ASN H 1 110 TYR QE . . 7.110 4.203 3.008 5.360 . 0 0 "[ . 1 . 2]" 1
995 1 85 ASN HB2 1 86 ASN H . . 4.880 4.573 4.350 4.664 . 0 0 "[ . 1 . 2]" 1
996 1 85 ASN HB2 1 102 ASN HD21 . . 4.390 3.760 2.975 4.440 0.050 5 0 "[ . 1 . 2]" 1
997 1 85 ASN HB2 1 110 TYR QD . . 6.900 4.822 3.501 6.771 . 0 0 "[ . 1 . 2]" 1
998 1 85 ASN HB3 1 86 ASN H . . 4.530 4.398 4.077 4.552 0.022 14 0 "[ . 1 . 2]" 1
999 1 85 ASN HB3 1 102 ASN HD21 . . 3.920 3.459 2.445 3.982 0.062 2 0 "[ . 1 . 2]" 1
1000 1 85 ASN HB3 1 110 TYR QD . . 7.900 5.866 4.710 6.788 . 0 0 "[ . 1 . 2]" 1
1001 1 85 ASN HD21 1 102 ASN HA . . 4.190 3.995 3.034 4.255 0.065 14 0 "[ . 1 . 2]" 1
1002 1 86 ASN H 1 86 ASN HD21 . . 5.320 3.687 2.762 4.571 . 0 0 "[ . 1 . 2]" 1
1003 1 86 ASN H 1 87 THR H . . 3.770 2.928 2.393 3.119 . 0 0 "[ . 1 . 2]" 1
1004 1 86 ASN HB2 1 87 THR H . . 4.500 4.197 3.886 4.527 0.027 17 0 "[ . 1 . 2]" 1
1005 1 86 ASN HD22 1 110 TYR QD . . 7.400 6.033 4.549 7.303 . 0 0 "[ . 1 . 2]" 1
1006 1 86 ASN HD22 1 110 TYR QE . . 6.040 4.915 3.730 6.093 0.053 4 0 "[ . 1 . 2]" 1
1007 1 87 THR H 1 87 THR HB . . 3.460 2.593 2.216 2.949 . 0 0 "[ . 1 . 2]" 1
1008 1 87 THR H 1 88 ILE H . . 4.860 4.448 4.327 4.557 . 0 0 "[ . 1 . 2]" 1
1009 1 87 THR HA 1 88 ILE H . . 3.340 2.329 2.255 2.415 . 0 0 "[ . 1 . 2]" 1
1010 1 87 THR HA 1 88 ILE HB . . 5.060 4.711 4.499 4.857 . 0 0 "[ . 1 . 2]" 1
1011 1 87 THR HA 1 88 ILE HG12 . . 4.900 4.477 4.267 4.718 . 0 0 "[ . 1 . 2]" 1
1012 1 87 THR HB 1 88 ILE H . . 4.200 3.839 3.472 4.019 . 0 0 "[ . 1 . 2]" 1
1013 1 87 THR MG 1 88 ILE H . . 4.990 2.273 2.129 2.449 . 0 0 "[ . 1 . 2]" 1
1014 1 87 THR MG 1 88 ILE HG13 . . 5.600 4.361 4.105 4.550 . 0 0 "[ . 1 . 2]" 1
1015 1 88 ILE H 1 88 ILE HB . . 3.400 2.668 2.508 2.774 . 0 0 "[ . 1 . 2]" 1
1016 1 88 ILE H 1 88 ILE HG12 . . 3.610 3.607 3.377 3.672 0.062 8 0 "[ . 1 . 2]" 1
1017 1 88 ILE H 1 88 ILE HG13 . . 3.790 2.585 2.266 2.781 . 0 0 "[ . 1 . 2]" 1
1018 1 88 ILE H 1 88 ILE MD . . 5.420 3.990 3.796 4.170 . 0 0 "[ . 1 . 2]" 1
1019 1 88 ILE HA 1 88 ILE HG13 . . 3.940 3.272 3.134 3.428 . 0 0 "[ . 1 . 2]" 1
1020 1 88 ILE HA 1 89 PRO HD2 . . 3.650 2.186 2.115 2.292 . 0 0 "[ . 1 . 2]" 1
1021 1 88 ILE HA 1 89 PRO HD3 . . 3.500 2.679 2.380 3.024 . 0 0 "[ . 1 . 2]" 1
1022 1 88 ILE HB 1 89 PRO HD2 . . 5.140 4.838 4.670 4.996 . 0 0 "[ . 1 . 2]" 1
1023 1 88 ILE MG 1 89 PRO HD2 . . 4.820 3.274 2.812 3.707 . 0 0 "[ . 1 . 2]" 1
1024 1 88 ILE MG 1 89 PRO HD3 . . 5.200 4.266 3.838 4.604 . 0 0 "[ . 1 . 2]" 1
1025 1 88 ILE HG13 1 89 PRO HD3 . . 5.500 5.439 5.269 5.566 0.066 10 0 "[ . 1 . 2]" 1
1026 1 88 ILE MD 1 89 PRO HD3 . . 7.100 6.019 5.797 6.205 . 0 0 "[ . 1 . 2]" 1
1027 1 88 ILE MD 1 117 SER HA . . 6.100 5.575 4.550 6.150 0.050 12 0 "[ . 1 . 2]" 1
1028 1 88 ILE MD 1 117 SER HB2 . . 5.400 4.812 3.847 5.474 0.074 16 0 "[ . 1 . 2]" 1
1029 1 88 ILE MD 1 117 SER HB3 . . 5.900 5.046 3.908 5.838 . 0 0 "[ . 1 . 2]" 1
1030 1 90 PRO HA 1 91 THR H . . 3.430 2.304 2.074 2.436 . 0 0 "[ . 1 . 2]" 1
1031 1 90 PRO HA 1 91 THR MG . . 4.890 3.928 3.395 4.605 . 0 0 "[ . 1 . 2]" 1
1032 1 90 PRO HA 1 93 ALA MB . . 5.640 4.843 4.572 5.078 . 0 0 "[ . 1 . 2]" 1
1033 1 90 PRO HB2 1 91 THR H . . 4.430 3.184 2.892 4.163 . 0 0 "[ . 1 . 2]" 1
1034 1 90 PRO HB2 1 93 ALA MB . . 5.800 3.910 2.420 4.392 . 0 0 "[ . 1 . 2]" 1
1035 1 90 PRO HB3 1 91 THR H . . 4.520 3.838 3.599 4.452 . 0 0 "[ . 1 . 2]" 1
1036 1 90 PRO HB3 1 92 SER H . . 5.170 4.169 3.947 4.501 . 0 0 "[ . 1 . 2]" 1
1037 1 90 PRO HB3 1 93 ALA H . . 4.900 4.919 4.551 4.966 0.066 4 0 "[ . 1 . 2]" 1
1038 1 90 PRO QG 1 93 ALA H . . 5.650 2.862 2.559 3.495 . 0 0 "[ . 1 . 2]" 1
1039 1 90 PRO QG 1 93 ALA HA . . 5.610 3.871 3.204 4.841 . 0 0 "[ . 1 . 2]" 1
1040 1 90 PRO QG 1 93 ALA MB . . 5.500 2.174 2.001 2.472 . 0 0 "[ . 1 . 2]" 1
1041 1 90 PRO HD2 1 93 ALA MB . . 5.610 2.787 2.251 4.088 . 0 0 "[ . 1 . 2]" 1
1042 1 90 PRO HD2 1 98 LEU MD2 . . 6.300 5.413 3.492 6.328 0.028 16 0 "[ . 1 . 2]" 1
1043 1 90 PRO HD3 1 93 ALA MB . . 5.240 4.107 3.768 4.660 . 0 0 "[ . 1 . 2]" 1
1044 1 91 THR H 1 92 SER H . . 4.360 2.777 2.618 2.927 . 0 0 "[ . 1 . 2]" 1
1045 1 91 THR H 1 93 ALA H . . 5.310 4.366 4.153 4.529 . 0 0 "[ . 1 . 2]" 1
1046 1 91 THR HA 1 93 ALA H . . 4.390 3.776 3.544 4.082 . 0 0 "[ . 1 . 2]" 1
1047 1 92 SER H 1 93 ALA H . . 3.910 2.586 2.365 2.831 . 0 0 "[ . 1 . 2]" 1
1048 1 92 SER HA 1 93 ALA MB . . 6.340 4.973 4.869 5.031 . 0 0 "[ . 1 . 2]" 1
1049 1 92 SER HB2 1 93 ALA H . . 4.890 3.823 3.076 4.401 . 0 0 "[ . 1 . 2]" 1
1050 1 93 ALA H 1 94 THR H . . 4.920 4.623 4.395 4.730 . 0 0 "[ . 1 . 2]" 1
1051 1 93 ALA HA 1 94 THR H . . 3.140 2.564 2.303 2.839 . 0 0 "[ . 1 . 2]" 1
1052 1 93 ALA HA 1 94 THR MG . . 6.570 3.561 3.223 3.841 . 0 0 "[ . 1 . 2]" 1
1053 1 93 ALA MB 1 97 GLN QG . . 6.250 3.199 2.205 4.922 . 0 0 "[ . 1 . 2]" 1
1054 1 93 ALA MB 1 98 LEU HA . . 6.300 5.180 4.775 5.855 . 0 0 "[ . 1 . 2]" 1
1055 1 93 ALA MB 1 98 LEU HB2 . . 6.900 5.479 4.540 6.555 . 0 0 "[ . 1 . 2]" 1
1056 1 94 THR H 1 94 THR MG . . 4.660 2.922 2.536 3.213 . 0 0 "[ . 1 . 2]" 1
1057 1 94 THR H 1 95 MET H . . 4.990 4.459 4.372 4.576 . 0 0 "[ . 1 . 2]" 1
1058 1 94 THR H 1 97 GLN H . . 4.770 3.428 3.151 3.735 . 0 0 "[ . 1 . 2]" 1
1059 1 94 THR H 1 97 GLN HB2 . . 3.890 2.846 1.927 3.648 . 0 0 "[ . 1 . 2]" 1
1060 1 94 THR H 1 97 GLN HB3 . . 4.570 3.030 2.193 4.558 . 0 0 "[ . 1 . 2]" 1
1061 1 94 THR H 1 97 GLN QG . . 5.410 3.515 2.657 4.263 . 0 0 "[ . 1 . 2]" 1
1062 1 94 THR HA 1 96 GLY H . . 4.960 4.164 4.028 4.302 . 0 0 "[ . 1 . 2]" 1
1063 1 94 THR HB 1 95 MET H . . 3.610 2.573 2.329 2.931 . 0 0 "[ . 1 . 2]" 1
1064 1 94 THR HB 1 96 GLY H . . 3.870 2.660 2.511 2.942 . 0 0 "[ . 1 . 2]" 1
1065 1 94 THR HB 1 97 GLN H . . 4.450 3.634 3.237 4.051 . 0 0 "[ . 1 . 2]" 1
1066 1 94 THR MG 1 95 MET H . . 5.150 3.640 3.485 3.902 . 0 0 "[ . 1 . 2]" 1
1067 1 94 THR MG 1 95 MET HB2 . . 6.600 5.305 5.017 5.620 . 0 0 "[ . 1 . 2]" 1
1068 1 94 THR MG 1 96 GLY H . . 5.840 4.272 4.122 4.528 . 0 0 "[ . 1 . 2]" 1
1069 1 94 THR MG 1 97 GLN H . . 5.860 4.416 3.977 4.823 . 0 0 "[ . 1 . 2]" 1
1070 1 95 MET H 1 95 MET HB2 . . 3.950 2.350 2.126 2.578 . 0 0 "[ . 1 . 2]" 1
1071 1 95 MET H 1 95 MET HG2 . . 3.880 2.460 2.150 3.044 . 0 0 "[ . 1 . 2]" 1
1072 1 95 MET H 1 95 MET HG3 . . 4.210 3.769 3.631 4.029 . 0 0 "[ . 1 . 2]" 1
1073 1 95 MET H 1 95 MET ME . . 5.400 4.537 4.251 4.747 . 0 0 "[ . 1 . 2]" 1
1074 1 95 MET HA 1 95 MET ME . . 4.170 2.670 2.217 3.436 . 0 0 "[ . 1 . 2]" 1
1075 1 95 MET HA 1 98 LEU H . . 4.380 3.753 3.486 3.982 . 0 0 "[ . 1 . 2]" 1
1076 1 95 MET HA 1 98 LEU MD2 . . 5.480 2.459 2.130 2.969 . 0 0 "[ . 1 . 2]" 1
1077 1 95 MET HA 1 99 TYR H . . 4.710 4.046 3.737 4.377 . 0 0 "[ . 1 . 2]" 1
1078 1 95 MET HB2 1 95 MET ME . . 4.200 3.572 3.457 3.764 . 0 0 "[ . 1 . 2]" 1
1079 1 95 MET HB2 1 96 GLY H . . 4.700 2.917 2.691 3.167 . 0 0 "[ . 1 . 2]" 1
1080 1 95 MET HB3 1 95 MET ME . . 3.450 2.248 2.119 2.451 . 0 0 "[ . 1 . 2]" 1
1081 1 95 MET HB3 1 96 GLY HA3 . . 5.500 5.249 4.880 5.554 0.054 14 0 "[ . 1 . 2]" 1
1082 1 95 MET ME 1 95 MET HG3 . . 3.710 2.631 2.390 2.875 . 0 0 "[ . 1 . 2]" 1
1083 1 95 MET ME 1 98 LEU HG . . 4.600 3.531 2.945 4.569 . 0 0 "[ . 1 . 2]" 1
1084 1 95 MET ME 1 99 TYR H . . 5.600 4.462 3.710 5.521 . 0 0 "[ . 1 . 2]" 1
1085 1 95 MET ME 1 99 TYR HB2 . . 4.650 3.931 2.733 4.722 0.072 17 0 "[ . 1 . 2]" 1
1086 1 96 GLY H 1 97 GLN H . . 3.910 2.726 2.631 2.927 . 0 0 "[ . 1 . 2]" 1
1087 1 96 GLY H 1 98 LEU H . . 5.190 4.487 4.279 4.709 . 0 0 "[ . 1 . 2]" 1
1088 1 96 GLY H 1 99 TYR H . . 5.290 4.708 4.588 4.879 . 0 0 "[ . 1 . 2]" 1
1089 1 96 GLY HA2 1 99 TYR H . . 4.890 3.592 3.304 3.933 . 0 0 "[ . 1 . 2]" 1
1090 1 96 GLY HA2 1 99 TYR HB2 . . 4.710 3.784 3.362 4.334 . 0 0 "[ . 1 . 2]" 1
1091 1 96 GLY HA2 1 99 TYR HB3 . . 4.020 2.479 2.123 2.967 . 0 0 "[ . 1 . 2]" 1
1092 1 96 GLY HA3 1 99 TYR H . . 4.900 4.729 4.517 4.938 0.038 10 0 "[ . 1 . 2]" 1
1093 1 96 GLY HA3 1 99 TYR HB2 . . 5.900 5.479 5.087 5.929 0.029 14 0 "[ . 1 . 2]" 1
1094 1 96 GLY HA3 1 99 TYR HB3 . . 4.910 4.124 3.790 4.531 . 0 0 "[ . 1 . 2]" 1
1095 1 96 GLY HA3 1 100 GLU H . . 5.170 4.823 4.662 5.085 . 0 0 "[ . 1 . 2]" 1
1096 1 97 GLN H 1 97 GLN HB2 . . 3.440 2.415 2.193 2.757 . 0 0 "[ . 1 . 2]" 1
1097 1 97 GLN H 1 97 GLN HB3 . . 4.050 2.875 2.337 3.624 . 0 0 "[ . 1 . 2]" 1
1098 1 97 GLN H 1 97 GLN QG . . 4.750 3.547 2.471 4.084 . 0 0 "[ . 1 . 2]" 1
1099 1 97 GLN H 1 98 LEU H . . 3.650 2.838 2.660 2.981 . 0 0 "[ . 1 . 2]" 1
1100 1 97 GLN H 1 98 LEU HG . . 4.540 4.338 3.843 4.598 0.058 10 0 "[ . 1 . 2]" 1
1101 1 97 GLN H 1 99 TYR H . . 4.810 4.091 3.802 4.342 . 0 0 "[ . 1 . 2]" 1
1102 1 97 GLN HA 1 100 GLU H . . 4.530 3.603 3.328 3.889 . 0 0 "[ . 1 . 2]" 1
1103 1 97 GLN HA 1 100 GLU QG . . 5.500 4.073 2.131 5.232 . 0 0 "[ . 1 . 2]" 1
1104 1 97 GLN HB2 1 98 LEU H . . 4.470 3.410 2.453 4.004 . 0 0 "[ . 1 . 2]" 1
1105 1 97 GLN HB3 1 98 LEU H . . 3.820 2.743 2.271 3.453 . 0 0 "[ . 1 . 2]" 1
1106 1 97 GLN HB3 1 99 TYR H . . 5.500 5.089 4.691 5.551 0.051 10 0 "[ . 1 . 2]" 1
1107 1 97 GLN QG 1 98 LEU H . . 5.470 3.795 3.152 4.357 . 0 0 "[ . 1 . 2]" 1
1108 1 97 GLN QG 1 99 TYR H . . 6.600 5.582 5.191 6.100 . 0 0 "[ . 1 . 2]" 1
1109 1 98 LEU H 1 98 LEU HB3 . . 4.060 2.693 2.568 2.871 . 0 0 "[ . 1 . 2]" 1
1110 1 98 LEU H 1 98 LEU HG . . 3.310 2.193 1.880 2.346 . 0 0 "[ . 1 . 2]" 1
1111 1 98 LEU H 1 98 LEU MD2 . . 5.330 3.107 2.857 3.548 . 0 0 "[ . 1 . 2]" 1
1112 1 98 LEU H 1 99 TYR H . . 3.640 2.686 2.519 2.783 . 0 0 "[ . 1 . 2]" 1
1113 1 98 LEU H 1 102 ASN H . . 5.900 5.922 5.804 5.975 0.075 9 0 "[ . 1 . 2]" 1
1114 1 98 LEU HA 1 99 TYR HA . . 5.220 4.794 4.715 4.873 . 0 0 "[ . 1 . 2]" 1
1115 1 98 LEU HA 1 101 ASP HB2 . . 4.920 3.582 2.614 4.258 . 0 0 "[ . 1 . 2]" 1
1116 1 98 LEU HA 1 101 ASP HB3 . . 4.740 2.784 2.117 4.175 . 0 0 "[ . 1 . 2]" 1
1117 1 98 LEU HA 1 102 ASN H . . 4.760 3.738 3.471 4.068 . 0 0 "[ . 1 . 2]" 1
1118 1 98 LEU HB2 1 99 TYR H . . 4.820 4.007 3.855 4.146 . 0 0 "[ . 1 . 2]" 1
1119 1 98 LEU HB3 1 99 TYR H . . 4.500 4.182 4.096 4.288 . 0 0 "[ . 1 . 2]" 1
1120 1 98 LEU HG 1 99 TYR H . . 3.600 2.486 2.260 2.909 . 0 0 "[ . 1 . 2]" 1
1121 1 98 LEU HG 1 99 TYR HA . . 5.090 4.565 4.230 4.988 . 0 0 "[ . 1 . 2]" 1
1122 1 98 LEU HG 1 99 TYR HB2 . . 4.480 4.250 3.896 4.533 0.053 17 0 "[ . 1 . 2]" 1
1123 1 98 LEU MD1 1 99 TYR H . . 5.420 2.732 2.352 3.094 . 0 0 "[ . 1 . 2]" 1
1124 1 99 TYR H 1 99 TYR HB2 . . 3.500 2.681 2.538 2.868 . 0 0 "[ . 1 . 2]" 1
1125 1 99 TYR H 1 99 TYR HB3 . . 3.560 2.297 2.089 2.525 . 0 0 "[ . 1 . 2]" 1
1126 1 99 TYR H 1 100 GLU H . . 4.300 2.720 2.596 2.903 . 0 0 "[ . 1 . 2]" 1
1127 1 99 TYR H 1 101 ASP H . . 5.200 4.188 3.896 4.454 . 0 0 "[ . 1 . 2]" 1
1128 1 99 TYR H 1 109 LEU HG . . 4.600 4.381 4.135 4.658 0.058 10 0 "[ . 1 . 2]" 1
1129 1 99 TYR HA 1 100 GLU HA . . 5.590 4.803 4.653 4.906 . 0 0 "[ . 1 . 2]" 1
1130 1 99 TYR HA 1 102 ASN H . . 4.610 3.685 3.408 4.041 . 0 0 "[ . 1 . 2]" 1
1131 1 99 TYR HA 1 103 HIS H . . 5.140 4.466 4.248 4.807 . 0 0 "[ . 1 . 2]" 1
1132 1 99 TYR HA 1 103 HIS HB3 . . 5.500 5.080 4.841 5.527 0.027 1 0 "[ . 1 . 2]" 1
1133 1 99 TYR HA 1 109 LEU HB3 . . 5.100 5.034 4.675 5.164 0.064 16 0 "[ . 1 . 2]" 1
1134 1 99 TYR HA 1 109 LEU HG . . 4.090 2.611 2.201 3.242 . 0 0 "[ . 1 . 2]" 1
1135 1 99 TYR HA 1 109 LEU MD2 . . 4.800 2.412 2.026 3.149 . 0 0 "[ . 1 . 2]" 1
1136 1 99 TYR HB2 1 100 GLU H . . 4.180 4.058 3.936 4.229 0.049 8 0 "[ . 1 . 2]" 1
1137 1 99 TYR HB2 1 100 GLU HA . . 5.880 5.710 5.577 5.814 . 0 0 "[ . 1 . 2]" 1
1138 1 99 TYR HB2 1 109 LEU HB2 . . 5.470 4.285 3.941 5.187 . 0 0 "[ . 1 . 2]" 1
1139 1 99 TYR HB2 1 109 LEU HG . . 4.810 3.026 2.873 3.189 . 0 0 "[ . 1 . 2]" 1
1140 1 99 TYR HB3 1 100 GLU H . . 4.550 2.756 2.582 3.033 . 0 0 "[ . 1 . 2]" 1
1141 1 99 TYR HB3 1 100 GLU HB3 . . 5.500 4.928 4.404 5.531 0.031 14 0 "[ . 1 . 2]" 1
1142 1 99 TYR HB3 1 109 LEU HG . . 4.550 4.576 4.368 4.616 0.066 12 0 "[ . 1 . 2]" 1
1143 1 99 TYR QD 1 100 GLU H . . 6.750 3.595 2.935 4.315 . 0 0 "[ . 1 . 2]" 1
1144 1 99 TYR QD 1 100 GLU HA . . 6.150 3.930 2.859 4.704 . 0 0 "[ . 1 . 2]" 1
1145 1 99 TYR QD 1 100 GLU HB3 . . 7.270 4.963 3.450 6.176 . 0 0 "[ . 1 . 2]" 1
1146 1 99 TYR QD 1 100 GLU QG . . 8.160 5.250 4.425 6.102 . 0 0 "[ . 1 . 2]" 1
1147 1 99 TYR QD 1 109 LEU H . . 7.370 5.209 4.301 6.126 . 0 0 "[ . 1 . 2]" 1
1148 1 99 TYR QD 1 109 LEU HB2 . . 6.800 3.407 2.143 5.530 . 0 0 "[ . 1 . 2]" 1
1149 1 99 TYR QD 1 109 LEU HB3 . . 6.560 4.668 3.493 5.735 . 0 0 "[ . 1 . 2]" 1
1150 1 99 TYR QD 1 109 LEU HG . . 6.610 3.084 2.196 4.098 . 0 0 "[ . 1 . 2]" 1
1151 1 99 TYR QD 1 109 LEU MD2 . . 7.900 2.664 2.003 4.093 . 0 0 "[ . 1 . 2]" 1
1152 1 100 GLU H 1 100 GLU HB2 . . 3.660 2.673 2.248 3.684 0.024 11 0 "[ . 1 . 2]" 1
1153 1 100 GLU H 1 100 GLU HB3 . . 4.010 2.486 2.244 2.837 . 0 0 "[ . 1 . 2]" 1
1154 1 100 GLU H 1 100 GLU QG . . 4.890 3.622 2.170 4.060 . 0 0 "[ . 1 . 2]" 1
1155 1 100 GLU H 1 101 ASP H . . 3.810 2.651 2.501 2.796 . 0 0 "[ . 1 . 2]" 1
1156 1 100 GLU HB2 1 101 ASP H . . 4.200 3.934 3.549 4.157 . 0 0 "[ . 1 . 2]" 1
1157 1 100 GLU HB3 1 101 ASP H . . 4.070 2.971 2.443 4.125 0.055 5 0 "[ . 1 . 2]" 1
1158 1 100 GLU QG 1 101 ASP H . . 5.480 3.515 2.387 4.285 . 0 0 "[ . 1 . 2]" 1
1159 1 101 ASP H 1 101 ASP HB2 . . 3.680 2.483 2.179 2.700 . 0 0 "[ . 1 . 2]" 1
1160 1 101 ASP H 1 101 ASP HB3 . . 3.380 2.590 2.250 3.449 0.069 5 0 "[ . 1 . 2]" 1
1161 1 101 ASP HB2 1 102 ASN H . . 4.310 3.872 2.692 4.048 . 0 0 "[ . 1 . 2]" 1
1162 1 102 ASN H 1 103 HIS H . . 3.410 2.542 2.367 2.740 . 0 0 "[ . 1 . 2]" 1
1163 1 102 ASN H 1 109 LEU MD2 . . 5.600 4.223 3.547 5.672 0.072 17 0 "[ . 1 . 2]" 1
1164 1 102 ASN HA 1 102 ASN HD21 . . 4.510 2.562 1.950 4.482 . 0 0 "[ . 1 . 2]" 1
1165 1 102 ASN QB 1 103 HIS HA . . 5.820 4.282 4.082 4.490 . 0 0 "[ . 1 . 2]" 1
1166 1 102 ASN QB 1 109 LEU HG . . 5.780 3.976 3.422 4.566 . 0 0 "[ . 1 . 2]" 1
1167 1 102 ASN QB 1 109 LEU MD2 . . 5.350 2.566 2.058 4.305 . 0 0 "[ . 1 . 2]" 1
1168 1 102 ASN QB 1 110 TYR H . . 6.300 4.782 4.096 5.551 . 0 0 "[ . 1 . 2]" 1
1169 1 103 HIS H 1 103 HIS HD2 . . 5.500 3.606 2.077 5.317 . 0 0 "[ . 1 . 2]" 1
1170 1 103 HIS H 1 109 LEU MD2 . . 6.410 4.582 3.465 6.003 . 0 0 "[ . 1 . 2]" 1
1171 1 103 HIS HA 1 104 GLU QB . . 5.580 4.102 3.844 4.377 . 0 0 "[ . 1 . 2]" 1
1172 1 103 HIS HA 1 109 LEU MD2 . . 5.250 3.968 2.816 5.322 0.072 10 0 "[ . 1 . 2]" 1
1173 1 103 HIS HB2 1 104 GLU H . . 4.320 3.349 2.444 4.195 . 0 0 "[ . 1 . 2]" 1
1174 1 103 HIS HB2 1 107 TYR HA . . 6.000 5.115 4.355 5.655 . 0 0 "[ . 1 . 2]" 1
1175 1 103 HIS HB3 1 104 GLU H . . 4.760 4.290 3.824 4.613 . 0 0 "[ . 1 . 2]" 1
1176 1 103 HIS HD2 1 104 GLU H . . 5.500 5.371 4.326 5.555 0.055 16 0 "[ . 1 . 2]" 1
1177 1 104 GLU H 1 104 GLU HG2 . . 4.900 3.939 2.669 4.847 . 0 0 "[ . 1 . 2]" 1
1178 1 104 GLU H 1 104 GLU HG3 . . 4.600 4.252 3.097 4.642 0.042 19 0 "[ . 1 . 2]" 1
1179 1 104 GLU H 1 107 TYR HA . . 5.270 3.729 2.957 4.409 . 0 0 "[ . 1 . 2]" 1
1180 1 104 GLU HA 1 104 GLU HG3 . . 3.810 3.183 2.180 3.809 . 0 0 "[ . 1 . 2]" 1
1181 1 104 GLU QB 1 106 ASP H . . 6.000 2.470 2.131 2.980 . 0 0 "[ . 1 . 2]" 1
1182 1 105 GLU H 1 106 ASP H . . 5.090 2.568 2.387 2.824 . 0 0 "[ . 1 . 2]" 1
1183 1 105 GLU HA 1 105 GLU QG . . 3.910 2.737 2.306 3.499 . 0 0 "[ . 1 . 2]" 1
1184 1 105 GLU HB2 1 106 ASP H . . 4.830 3.529 2.819 4.337 . 0 0 "[ . 1 . 2]" 1
1185 1 105 GLU QG 1 106 ASP H . . 6.180 4.132 2.770 4.789 . 0 0 "[ . 1 . 2]" 1
1186 1 106 ASP HB3 1 107 TYR H . . 4.910 4.281 4.125 4.447 . 0 0 "[ . 1 . 2]" 1
1187 1 106 ASP HB3 1 108 PHE QD . . 7.420 4.110 2.306 6.403 . 0 0 "[ . 1 . 2]" 1
1188 1 107 TYR H 1 108 PHE H . . 3.860 2.937 2.664 3.331 . 0 0 "[ . 1 . 2]" 1
1189 1 107 TYR HA 1 108 PHE HA . . 5.240 4.563 4.424 4.682 . 0 0 "[ . 1 . 2]" 1
1190 1 107 TYR HB2 1 108 PHE HA . . 5.500 4.969 4.669 5.264 . 0 0 "[ . 1 . 2]" 1
1191 1 107 TYR HB3 1 108 PHE H . . 4.940 4.515 4.391 4.660 . 0 0 "[ . 1 . 2]" 1
1192 1 107 TYR HB3 1 108 PHE HA . . 5.500 4.890 4.660 5.150 . 0 0 "[ . 1 . 2]" 1
1193 1 108 PHE H 1 108 PHE HB2 . . 4.100 2.679 2.236 3.966 . 0 0 "[ . 1 . 2]" 1
1194 1 108 PHE HB2 1 109 LEU H . . 5.300 3.862 2.679 4.375 . 0 0 "[ . 1 . 2]" 1
1195 1 108 PHE HB3 1 109 LEU H . . 4.950 3.142 2.474 4.202 . 0 0 "[ . 1 . 2]" 1
1196 1 109 LEU H 1 109 LEU MD2 . . 5.120 3.828 2.556 4.362 . 0 0 "[ . 1 . 2]" 1
1197 1 109 LEU HA 1 109 LEU MD2 . . 4.550 2.231 2.053 3.195 . 0 0 "[ . 1 . 2]" 1
1198 1 109 LEU HB2 1 110 TYR H . . 5.250 4.467 4.148 4.643 . 0 0 "[ . 1 . 2]" 1
1199 1 109 LEU HB3 1 110 TYR H . . 4.090 3.717 3.139 4.150 0.060 12 0 "[ . 1 . 2]" 1
1200 1 109 LEU MD2 1 110 TYR H . . 5.100 3.296 2.033 4.989 . 0 0 "[ . 1 . 2]" 1
1201 1 110 TYR H 1 110 TYR HB2 . . 3.940 3.050 2.624 3.765 . 0 0 "[ . 1 . 2]" 1
1202 1 110 TYR HA 1 111 VAL H . . 3.470 2.258 2.195 2.329 . 0 0 "[ . 1 . 2]" 1
1203 1 110 TYR HB2 1 111 VAL H . . 4.850 4.072 3.007 4.429 . 0 0 "[ . 1 . 2]" 1
1204 1 110 TYR QD 1 111 VAL H . . 7.320 3.503 2.071 4.209 . 0 0 "[ . 1 . 2]" 1
1205 1 111 VAL H 1 111 VAL HB . . 4.050 3.234 2.472 3.959 . 0 0 "[ . 1 . 2]" 1
1206 1 111 VAL HA 1 112 ALA H . . 3.540 2.207 2.079 2.312 . 0 0 "[ . 1 . 2]" 1
1207 1 111 VAL HB 1 112 ALA H . . 5.170 3.924 2.806 4.406 . 0 0 "[ . 1 . 2]" 1
1208 1 111 VAL MG2 1 112 ALA H . . 5.070 3.232 2.334 4.150 . 0 0 "[ . 1 . 2]" 1
1209 1 111 VAL MG2 1 112 ALA MB . . 6.900 4.577 3.983 5.274 . 0 0 "[ . 1 . 2]" 1
1210 1 112 ALA HA 1 113 TYR H . . 3.480 2.314 2.252 2.404 . 0 0 "[ . 1 . 2]" 1
1211 1 112 ALA HA 1 113 TYR HA . . 4.770 4.493 4.446 4.540 . 0 0 "[ . 1 . 2]" 1
1212 1 112 ALA HA 1 113 TYR QD . . 6.720 3.427 3.099 4.261 . 0 0 "[ . 1 . 2]" 1
1213 1 112 ALA MB 1 113 TYR QD . . 7.640 4.547 4.322 5.059 . 0 0 "[ . 1 . 2]" 1
1214 1 113 TYR H 1 114 SER H . . 5.190 4.476 4.338 4.544 . 0 0 "[ . 1 . 2]" 1
1215 1 113 TYR HA 1 114 SER H . . 3.300 2.263 2.160 2.351 . 0 0 "[ . 1 . 2]" 1
1216 1 113 TYR HB2 1 114 SER H . . 3.910 2.883 2.640 3.300 . 0 0 "[ . 1 . 2]" 1
1217 1 113 TYR HB3 1 114 SER H . . 4.500 4.066 3.909 4.296 . 0 0 "[ . 1 . 2]" 1
1218 1 114 SER H 1 114 SER HB2 . . 4.180 3.281 2.900 3.812 . 0 0 "[ . 1 . 2]" 1
1219 1 114 SER HA 1 115 ASP H . . 3.600 2.346 2.178 2.481 . 0 0 "[ . 1 . 2]" 1
1220 1 114 SER HB2 1 115 ASP H . . 4.750 3.596 2.518 4.145 . 0 0 "[ . 1 . 2]" 1
1221 1 114 SER HB2 1 116 GLU H . . 5.000 4.022 2.591 5.055 0.055 13 0 "[ . 1 . 2]" 1
1222 1 114 SER HB3 1 115 ASP H . . 4.770 3.383 2.687 3.918 . 0 0 "[ . 1 . 2]" 1
1223 1 114 SER HB3 1 116 GLU H . . 4.500 3.586 2.847 4.555 0.055 9 0 "[ . 1 . 2]" 1
1224 1 115 ASP H 1 116 GLU H . . 3.350 2.321 1.904 2.800 . 0 0 "[ . 1 . 2]" 1
1225 1 115 ASP HB2 1 116 GLU H . . 5.000 3.957 3.582 4.455 . 0 0 "[ . 1 . 2]" 1
1226 1 115 ASP HB3 1 116 GLU H . . 4.580 2.766 2.126 3.548 . 0 0 "[ . 1 . 2]" 1
1227 1 116 GLU H 1 116 GLU HB2 . . 4.090 3.327 2.742 3.879 . 0 0 "[ . 1 . 2]" 1
1228 1 116 GLU H 1 116 GLU HB3 . . 3.750 2.840 2.338 3.458 . 0 0 "[ . 1 . 2]" 1
1229 1 116 GLU H 1 116 GLU HG2 . . 4.560 3.561 1.835 4.601 0.041 3 0 "[ . 1 . 2]" 1
1230 1 116 GLU H 1 116 GLU HG3 . . 4.700 4.019 2.806 4.746 0.046 15 0 "[ . 1 . 2]" 1
1231 1 116 GLU H 1 117 SER H . . 4.850 4.448 4.304 4.640 . 0 0 "[ . 1 . 2]" 1
1232 1 116 GLU HA 1 116 GLU HG2 . . 3.730 3.413 2.558 3.785 0.055 16 0 "[ . 1 . 2]" 1
1233 1 116 GLU HA 1 116 GLU HG3 . . 3.980 3.076 2.366 4.031 0.051 14 0 "[ . 1 . 2]" 1
1234 1 116 GLU HA 1 117 SER H . . 3.480 2.321 2.173 2.477 . 0 0 "[ . 1 . 2]" 1
1235 1 116 GLU HA 1 117 SER HA . . 5.200 4.384 4.342 4.437 . 0 0 "[ . 1 . 2]" 1
1236 1 116 GLU HA 1 118 VAL MG2 . . 6.600 4.506 4.053 5.416 . 0 0 "[ . 1 . 2]" 1
1237 1 116 GLU HB2 1 117 SER H . . 4.090 3.623 2.617 4.152 0.062 4 0 "[ . 1 . 2]" 1
1238 1 116 GLU HB2 1 118 VAL MG2 . . 5.890 3.848 2.352 5.837 . 0 0 "[ . 1 . 2]" 1
1239 1 116 GLU HB3 1 117 SER H . . 4.430 3.955 3.627 4.150 . 0 0 "[ . 1 . 2]" 1
1240 1 116 GLU HG2 1 118 VAL H . . 5.800 5.122 4.549 5.860 0.060 16 0 "[ . 1 . 2]" 1
1241 1 116 GLU HG2 1 118 VAL MG2 . . 5.750 3.277 2.154 5.329 . 0 0 "[ . 1 . 2]" 1
1242 1 117 SER H 1 117 SER HB3 . . 3.970 2.794 2.314 3.537 . 0 0 "[ . 1 . 2]" 1
1243 1 117 SER H 1 118 VAL MG2 . . 6.140 3.999 3.461 5.065 . 0 0 "[ . 1 . 2]" 1
1244 1 117 SER HA 1 118 VAL HA . . 4.850 4.457 4.391 4.510 . 0 0 "[ . 1 . 2]" 1
1245 1 117 SER HB2 1 118 VAL H . . 4.950 4.194 3.687 4.656 . 0 0 "[ . 1 . 2]" 1
1246 1 118 VAL H 1 118 VAL HB . . 3.600 3.065 2.566 3.670 0.070 8 0 "[ . 1 . 2]" 1
1247 1 118 VAL H 1 118 VAL MG2 . . 4.740 2.811 2.076 3.170 . 0 0 "[ . 1 . 2]" 1
1248 1 118 VAL H 1 119 TYR H . . 4.500 4.197 3.943 4.397 . 0 0 "[ . 1 . 2]" 1
1249 1 118 VAL HA 1 119 TYR H . . 2.950 2.202 2.020 2.382 . 0 0 "[ . 1 . 2]" 1
1250 1 118 VAL HA 1 119 TYR HB2 . . 5.600 4.792 4.100 5.658 0.058 10 0 "[ . 1 . 2]" 1
1251 1 118 VAL HA 1 119 TYR HB3 . . 5.180 4.679 4.245 5.183 0.003 19 0 "[ . 1 . 2]" 1
1252 1 118 VAL HB 1 119 TYR H . . 4.500 3.813 2.626 4.389 . 0 0 "[ . 1 . 2]" 1
1253 1 118 VAL MG1 1 119 TYR H . . 4.950 2.966 2.237 4.023 . 0 0 "[ . 1 . 2]" 1
1254 1 118 VAL MG2 1 119 TYR H . . 5.630 4.092 3.710 4.470 . 0 0 "[ . 1 . 2]" 1
1255 1 119 TYR H 1 119 TYR HB2 . . 3.770 2.915 2.371 3.618 . 0 0 "[ . 1 . 2]" 1
1256 1 119 TYR H 1 119 TYR HB3 . . 3.900 2.630 2.133 3.147 . 0 0 "[ . 1 . 2]" 1
1257 2 3 MET H 2 4 GLY H . . 4.850 4.444 3.957 4.634 . 0 0 "[ . 1 . 2]" 1
1258 2 3 MET HA 2 4 GLY QA . . 5.840 3.960 3.899 4.010 . 0 0 "[ . 1 . 2]" 1
1259 2 3 MET HB2 2 4 GLY H . . 5.500 3.411 2.067 4.625 . 0 0 "[ . 1 . 2]" 1
1260 2 3 MET HB2 2 4 GLY QA . . 6.240 4.725 4.105 5.520 . 0 0 "[ . 1 . 2]" 1
1261 2 4 GLY H 2 5 SER H . . 5.320 2.219 1.746 3.119 . 0 0 "[ . 1 . 2]" 1
1262 2 5 SER QB 2 6 ALA HA . . 6.020 4.524 4.059 4.888 . 0 0 "[ . 1 . 2]" 1
1263 2 6 ALA H 2 7 SER H . . 4.860 2.273 1.869 2.811 . 0 0 "[ . 1 . 2]" 1
1264 2 8 SER HB3 2 9 GLU H . . 5.280 3.634 2.297 4.469 . 0 0 "[ . 1 . 2]" 1
1265 2 9 GLU H 2 10 ASP H . . 4.800 4.657 4.528 4.709 . 0 0 "[ . 1 . 2]" 1
1266 2 9 GLU HA 2 10 ASP QB . . 6.230 4.278 3.904 4.576 . 0 0 "[ . 1 . 2]" 1
1267 2 9 GLU HB2 2 10 ASP H . . 5.480 4.038 3.668 4.309 . 0 0 "[ . 1 . 2]" 1
1268 2 9 GLU HB2 2 11 TYR QE . . 6.710 3.975 2.192 4.942 . 0 0 "[ . 1 . 2]" 1
1269 2 9 GLU HB3 2 10 ASP H . . 5.500 3.314 2.404 3.873 . 0 0 "[ . 1 . 2]" 1
1270 2 9 GLU QG 2 10 ASP H . . 6.270 3.145 1.726 4.865 . 0 0 "[ . 1 . 2]" 1
1271 2 9 GLU QG 2 11 TYR QD . . 7.410 4.043 2.269 5.960 . 0 0 "[ . 1 . 2]" 1
1272 2 9 GLU QG 2 11 TYR QE . . 7.830 2.977 2.019 4.684 . 0 0 "[ . 1 . 2]" 1
1273 2 10 ASP HA 2 11 TYR H . . 3.600 2.138 2.032 2.251 . 0 0 "[ . 1 . 2]" 1
1274 2 10 ASP HA 2 11 TYR HA . . 5.100 4.463 4.400 4.545 . 0 0 "[ . 1 . 2]" 1
1275 2 10 ASP HA 2 11 TYR HB2 . . 4.500 4.496 4.068 4.561 0.061 13 0 "[ . 1 . 2]" 1
1276 2 10 ASP HA 2 11 TYR QD . . 6.980 4.536 3.899 4.866 . 0 0 "[ . 1 . 2]" 1
1277 2 11 TYR H 2 12 ILE H . . 5.440 4.387 4.108 4.474 . 0 0 "[ . 1 . 2]" 1
1278 2 11 TYR HA 2 12 ILE HB . . 5.500 4.976 4.580 5.194 . 0 0 "[ . 1 . 2]" 1
1279 2 11 TYR HA 2 12 ILE MG . . 6.900 5.568 5.466 5.652 . 0 0 "[ . 1 . 2]" 1
1280 2 11 TYR HB2 2 12 ILE H . . 4.520 3.568 3.079 4.578 0.058 3 0 "[ . 1 . 2]" 1
1281 2 11 TYR HB3 2 12 ILE H . . 4.490 2.512 2.069 3.737 . 0 0 "[ . 1 . 2]" 1
1282 2 11 TYR QD 2 13 ILE MD . . 8.800 5.574 3.797 6.572 . 0 0 "[ . 1 . 2]" 1
1283 2 12 ILE H 2 13 ILE MD . . 6.600 5.792 4.018 6.648 0.048 15 0 "[ . 1 . 2]" 1
1284 2 12 ILE HA 2 13 ILE HB . . 5.430 4.707 4.405 4.916 . 0 0 "[ . 1 . 2]" 1
1285 2 12 ILE MG 2 13 ILE H . . 5.550 3.304 2.980 3.603 . 0 0 "[ . 1 . 2]" 1
1286 2 12 ILE MG 2 14 ILE H . . 6.600 4.615 4.172 4.976 . 0 0 "[ . 1 . 2]" 1
1287 2 12 ILE MG 2 14 ILE HB . . 6.530 3.582 2.541 4.904 . 0 0 "[ . 1 . 2]" 1
1288 2 12 ILE MG 2 14 ILE MD . . 6.300 3.324 1.968 5.202 . 0 0 "[ . 1 . 2]" 1
1289 2 12 ILE MD 2 13 ILE H . . 6.600 4.438 3.912 5.660 . 0 0 "[ . 1 . 2]" 1
1290 2 13 ILE H 2 13 ILE HG12 . . 4.900 3.276 2.005 4.596 . 0 0 "[ . 1 . 2]" 1
1291 2 13 ILE H 2 13 ILE HG13 . . 5.500 2.787 2.135 4.528 . 0 0 "[ . 1 . 2]" 1
1292 2 13 ILE HA 2 14 ILE HB . . 5.500 4.604 4.299 4.848 . 0 0 "[ . 1 . 2]" 1
1293 2 13 ILE HA 2 14 ILE MG . . 6.300 4.443 3.488 5.631 . 0 0 "[ . 1 . 2]" 1
1294 2 13 ILE HB 2 14 ILE H . . 5.500 4.163 3.852 4.436 . 0 0 "[ . 1 . 2]" 1
1295 2 13 ILE MG 2 14 ILE H . . 5.790 2.762 2.316 3.946 . 0 0 "[ . 1 . 2]" 1
1296 2 13 ILE MG 2 14 ILE HA . . 5.540 3.720 3.432 4.094 . 0 0 "[ . 1 . 2]" 1
1297 2 13 ILE MG 2 15 LEU MD1 . . 5.750 3.954 2.446 5.250 . 0 0 "[ . 1 . 2]" 1
1298 2 13 ILE MG 2 15 LEU MD2 . . 6.350 2.931 1.982 4.529 . 0 0 "[ . 1 . 2]" 1
1299 2 13 ILE HG12 2 14 ILE H . . 5.500 4.870 4.422 5.551 0.051 18 0 "[ . 1 . 2]" 1
1300 2 13 ILE MD 2 14 ILE H . . 6.590 4.877 2.889 5.577 . 0 0 "[ . 1 . 2]" 1
1301 2 14 ILE H 2 14 ILE HG12 . . 5.500 4.398 3.175 5.149 . 0 0 "[ . 1 . 2]" 1
1302 2 14 ILE H 2 14 ILE HG13 . . 5.380 4.304 3.053 5.023 . 0 0 "[ . 1 . 2]" 1
1303 2 14 ILE HA 2 15 LEU MD1 . . 7.100 5.040 3.490 6.127 . 0 0 "[ . 1 . 2]" 1
1304 2 14 ILE MG 2 15 LEU H . . 6.170 3.772 2.641 4.440 . 0 0 "[ . 1 . 2]" 1
1305 2 14 ILE MG 2 15 LEU HA . . 6.420 4.045 3.375 4.734 . 0 0 "[ . 1 . 2]" 1
1306 2 14 ILE MD 2 15 LEU H . . 6.600 4.381 2.555 5.566 . 0 0 "[ . 1 . 2]" 1
1307 2 14 ILE MD 2 15 LEU HA . . 7.100 5.439 3.042 6.380 . 0 0 "[ . 1 . 2]" 1
1308 2 15 LEU H 2 15 LEU HG . . 5.360 3.294 2.251 5.120 . 0 0 "[ . 1 . 2]" 1
1309 2 15 LEU H 2 15 LEU MD1 . . 5.840 3.641 2.125 4.502 . 0 0 "[ . 1 . 2]" 1
1310 2 15 LEU H 2 16 PRO QD . . 4.740 3.998 2.988 4.477 . 0 0 "[ . 1 . 2]" 1
1311 2 15 LEU HA 2 15 LEU MD1 . . 4.800 3.490 2.058 4.123 . 0 0 "[ . 1 . 2]" 1
1312 2 15 LEU HA 2 16 PRO HB2 . . 5.900 5.731 5.672 5.808 . 0 0 "[ . 1 . 2]" 1
1313 2 15 LEU HA 2 16 PRO HB3 . . 5.500 4.933 4.722 5.198 . 0 0 "[ . 1 . 2]" 1
1314 2 15 LEU HA 2 16 PRO QD . . 3.500 2.198 2.063 2.325 . 0 0 "[ . 1 . 2]" 1
1315 2 15 LEU HB2 2 16 PRO QD . . 4.800 2.864 2.039 4.484 . 0 0 "[ . 1 . 2]" 1
1316 2 15 LEU HB3 2 16 PRO QD . . 5.190 3.579 3.001 4.508 . 0 0 "[ . 1 . 2]" 1
1317 2 15 LEU MD1 2 16 PRO HA . . 6.300 4.872 4.073 6.366 0.066 13 0 "[ . 1 . 2]" 1
1318 2 15 LEU MD1 2 16 PRO QD . . 6.100 3.571 2.263 5.047 . 0 0 "[ . 1 . 2]" 1
1319 2 15 LEU MD2 2 16 PRO QD . . 7.200 4.224 2.647 5.081 . 0 0 "[ . 1 . 2]" 1
1320 2 16 PRO HA 2 17 GLU H . . 3.260 2.409 2.246 2.679 . 0 0 "[ . 1 . 2]" 1
1321 2 16 PRO HA 2 18 SER H . . 5.500 3.985 3.263 4.627 . 0 0 "[ . 1 . 2]" 1
1322 2 16 PRO HB2 2 18 SER H . . 5.500 2.518 2.243 3.204 . 0 0 "[ . 1 . 2]" 1
1323 2 16 PRO HB3 2 17 GLU H . . 4.750 3.736 3.304 4.490 . 0 0 "[ . 1 . 2]" 1
1324 2 16 PRO HB3 2 18 SER H . . 4.550 4.149 3.908 4.563 0.013 14 0 "[ . 1 . 2]" 1
1325 2 17 GLU H 2 17 GLU HB3 . . 3.770 3.268 2.634 3.761 . 0 0 "[ . 1 . 2]" 1
1326 2 17 GLU H 2 18 SER H . . 4.050 2.419 1.756 2.896 . 0 0 "[ . 1 . 2]" 1
1327 2 17 GLU HB2 2 18 SER H . . 4.690 3.934 3.270 4.603 . 0 0 "[ . 1 . 2]" 1
1328 2 17 GLU HB2 2 18 SER HA . . 5.500 5.240 4.674 5.573 0.073 15 0 "[ . 1 . 2]" 1
1329 2 17 GLU QG 2 18 SER H . . 5.920 4.235 3.161 4.840 . 0 0 "[ . 1 . 2]" 1
1330 2 18 SER H 2 18 SER HB2 . . 4.150 3.177 1.994 3.990 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 331
_Distance_constraint_stats_list.Viol_total 273.841
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0414
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLN 0.443 0.072 18 0 "[ . 1 . 2]"
1 12 ASP 0.443 0.072 18 0 "[ . 1 . 2]"
1 15 PHE 0.103 0.036 11 0 "[ . 1 . 2]"
1 16 GLU 0.930 0.066 3 0 "[ . 1 . 2]"
1 17 TYR 0.204 0.060 9 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.167 0.056 16 0 "[ . 1 . 2]"
1 20 LYS 1.224 0.066 3 0 "[ . 1 . 2]"
1 21 GLU 0.323 0.062 8 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.254 0.059 5 0 "[ . 1 . 2]"
1 24 LYS 0.939 0.065 17 0 "[ . 1 . 2]"
1 25 ILE 0.119 0.062 8 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.190 0.059 5 0 "[ . 1 . 2]"
1 28 LYS 0.645 0.065 17 0 "[ . 1 . 2]"
1 31 ASP 0.971 0.068 7 0 "[ . 1 . 2]"
1 33 VAL 1.587 0.066 3 0 "[ . 1 . 2]"
1 34 PRO 1.395 0.072 7 0 "[ . 1 . 2]"
1 35 VAL 0.130 0.055 4 0 "[ . 1 . 2]"
1 36 ILE 0.353 0.047 14 0 "[ . 1 . 2]"
1 37 VAL 0.398 0.056 7 0 "[ . 1 . 2]"
1 38 GLU 1.687 0.074 10 0 "[ . 1 . 2]"
1 40 ALA 0.350 0.052 4 0 "[ . 1 . 2]"
1 51 ARG 0.398 0.056 7 0 "[ . 1 . 2]"
1 53 TYR 0.130 0.055 4 0 "[ . 1 . 2]"
1 55 VAL 1.587 0.066 3 0 "[ . 1 . 2]"
1 57 SER 0.971 0.068 7 0 "[ . 1 . 2]"
1 61 VAL 0.138 0.051 14 0 "[ . 1 . 2]"
1 62 GLY 0.372 0.061 20 0 "[ . 1 . 2]"
1 63 GLN 0.134 0.064 5 0 "[ . 1 . 2]"
1 64 PHE 0.391 0.065 6 0 "[ . 1 . 2]"
1 65 TYR 0.192 0.054 16 0 "[ . 1 . 2]"
1 66 PHE 0.498 0.061 20 0 "[ . 1 . 2]"
1 67 LEU 0.622 0.064 14 0 "[ . 1 . 2]"
1 68 ILE 0.442 0.065 6 0 "[ . 1 . 2]"
1 69 ARG 0.094 0.054 16 0 "[ . 1 . 2]"
1 70 LYS 0.125 0.056 4 0 "[ . 1 . 2]"
1 71 ARG 0.489 0.064 14 0 "[ . 1 . 2]"
1 72 ILE 0.051 0.050 18 0 "[ . 1 . 2]"
1 81 PHE 0.761 0.057 8 0 "[ . 1 . 2]"
1 83 PHE 0.168 0.061 14 0 "[ . 1 . 2]"
1 93 ALA 0.040 0.040 13 0 "[ . 1 . 2]"
1 95 MET 0.377 0.057 9 0 "[ . 1 . 2]"
1 96 GLY 0.191 0.052 18 0 "[ . 1 . 2]"
1 97 GLN 0.486 0.064 3 0 "[ . 1 . 2]"
1 98 LEU 0.052 0.052 10 0 "[ . 1 . 2]"
1 99 TYR 0.377 0.057 9 0 "[ . 1 . 2]"
1 100 GLU 0.191 0.052 18 0 "[ . 1 . 2]"
1 101 ASP 0.486 0.064 3 0 "[ . 1 . 2]"
1 102 ASN 0.052 0.052 10 0 "[ . 1 . 2]"
1 109 LEU 1.492 0.072 7 0 "[ . 1 . 2]"
1 111 VAL 0.955 0.068 16 0 "[ . 1 . 2]"
1 112 ALA 0.168 0.061 14 0 "[ . 1 . 2]"
1 113 TYR 1.337 0.074 10 0 "[ . 1 . 2]"
1 114 SER 0.761 0.057 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 8 GLN O 1 12 ASP N . . 3.100 2.883 2.746 3.009 . 0 0 "[ . 1 . 2]" 2
2 1 8 GLN O 1 12 ASP H . . 2.100 2.064 1.843 2.172 0.072 18 0 "[ . 1 . 2]" 2
3 1 15 PHE O 1 19 LYS N . . 3.100 2.891 2.778 3.129 0.029 11 0 "[ . 1 . 2]" 2
4 1 15 PHE O 1 19 LYS H . . 2.100 1.891 1.782 2.136 0.036 11 0 "[ . 1 . 2]" 2
5 1 16 GLU O 1 20 LYS N . . 3.100 3.066 2.767 3.143 0.043 13 0 "[ . 1 . 2]" 2
6 1 16 GLU O 1 20 LYS H . . 2.100 2.099 1.777 2.166 0.066 3 0 "[ . 1 . 2]" 2
7 1 17 TYR O 1 21 GLU N . . 3.100 2.932 2.779 3.151 0.051 4 0 "[ . 1 . 2]" 2
8 1 17 TYR O 1 21 GLU H . . 2.100 1.931 1.779 2.160 0.060 9 0 "[ . 1 . 2]" 2
9 1 18 ARG O 1 22 GLY N . . 3.100 2.875 2.741 3.020 . 0 0 "[ . 1 . 2]" 2
10 1 18 ARG O 1 22 GLY H . . 2.100 1.906 1.741 2.019 . 0 0 "[ . 1 . 2]" 2
11 1 19 LYS O 1 23 GLU N . . 3.100 2.898 2.756 3.105 0.005 16 0 "[ . 1 . 2]" 2
12 1 19 LYS O 1 23 GLU H . . 2.100 1.915 1.775 2.156 0.056 16 0 "[ . 1 . 2]" 2
13 1 20 LYS O 1 24 LYS N . . 3.100 2.991 2.857 3.111 0.011 19 0 "[ . 1 . 2]" 2
14 1 20 LYS O 1 24 LYS H . . 2.100 2.066 1.887 2.153 0.053 6 0 "[ . 1 . 2]" 2
15 1 21 GLU O 1 25 ILE N . . 3.100 2.938 2.848 3.162 0.062 8 0 "[ . 1 . 2]" 2
16 1 21 GLU O 1 25 ILE H . . 2.100 1.942 1.847 2.157 0.057 8 0 "[ . 1 . 2]" 2
17 1 22 GLY O 1 26 ARG N . . 3.100 2.869 2.724 3.057 . 0 0 "[ . 1 . 2]" 2
18 1 22 GLY O 1 26 ARG H . . 2.100 1.895 1.779 2.056 . 0 0 "[ . 1 . 2]" 2
19 1 23 GLU O 1 27 LYS N . . 3.100 2.936 2.834 3.159 0.059 5 0 "[ . 1 . 2]" 2
20 1 23 GLU O 1 27 LYS H . . 2.100 1.959 1.869 2.152 0.052 1 0 "[ . 1 . 2]" 2
21 1 24 LYS O 1 28 LYS N . . 3.100 2.971 2.732 3.132 0.032 16 0 "[ . 1 . 2]" 2
22 1 24 LYS O 1 28 LYS H . . 2.100 2.047 1.770 2.165 0.065 17 0 "[ . 1 . 2]" 2
23 1 61 VAL O 1 65 TYR N . . 3.100 2.904 2.784 3.147 0.047 14 0 "[ . 1 . 2]" 2
24 1 61 VAL O 1 65 TYR H . . 2.100 1.902 1.795 2.151 0.051 14 0 "[ . 1 . 2]" 2
25 1 62 GLY O 1 66 PHE N . . 3.100 3.018 2.875 3.150 0.050 20 0 "[ . 1 . 2]" 2
26 1 62 GLY O 1 66 PHE H . . 2.100 2.060 1.868 2.161 0.061 20 0 "[ . 1 . 2]" 2
27 1 63 GLN O 1 67 LEU N . . 3.100 2.944 2.839 3.122 0.022 5 0 "[ . 1 . 2]" 2
28 1 63 GLN O 1 67 LEU H . . 2.100 1.964 1.843 2.164 0.064 5 0 "[ . 1 . 2]" 2
29 1 64 PHE O 1 68 ILE N . . 3.100 3.035 2.864 3.165 0.065 6 0 "[ . 1 . 2]" 2
30 1 64 PHE O 1 68 ILE H . . 2.100 2.029 1.847 2.152 0.052 6 0 "[ . 1 . 2]" 2
31 1 65 TYR O 1 69 ARG N . . 3.100 2.909 2.799 3.154 0.054 16 0 "[ . 1 . 2]" 2
32 1 65 TYR O 1 69 ARG H . . 2.100 1.918 1.808 2.140 0.040 16 0 "[ . 1 . 2]" 2
33 1 66 PHE O 1 70 LYS N . . 3.100 2.974 2.821 3.135 0.035 4 0 "[ . 1 . 2]" 2
34 1 66 PHE O 1 70 LYS H . . 2.100 1.997 1.825 2.156 0.056 4 0 "[ . 1 . 2]" 2
35 1 67 LEU O 1 71 ARG N . . 3.100 3.008 2.807 3.161 0.061 19 0 "[ . 1 . 2]" 2
36 1 67 LEU O 1 71 ARG H . . 2.100 2.041 1.839 2.164 0.064 14 0 "[ . 1 . 2]" 2
37 1 68 ILE O 1 72 ILE N . . 3.100 2.906 2.813 3.100 0.000 18 0 "[ . 1 . 2]" 2
38 1 68 ILE O 1 72 ILE H . . 2.100 1.957 1.846 2.150 0.050 18 0 "[ . 1 . 2]" 2
39 1 95 MET O 1 99 TYR N . . 3.100 3.005 2.829 3.139 0.039 10 0 "[ . 1 . 2]" 2
40 1 95 MET O 1 99 TYR H . . 2.100 2.072 1.879 2.157 0.057 9 0 "[ . 1 . 2]" 2
41 1 96 GLY O 1 100 GLU N . . 3.100 2.878 2.746 3.139 0.039 14 0 "[ . 1 . 2]" 2
42 1 96 GLY O 1 100 GLU H . . 2.100 1.946 1.792 2.152 0.052 18 0 "[ . 1 . 2]" 2
43 1 97 GLN O 1 101 ASP N . . 3.100 3.002 2.836 3.117 0.017 8 0 "[ . 1 . 2]" 2
44 1 97 GLN O 1 101 ASP H . . 2.100 2.062 1.829 2.164 0.064 3 0 "[ . 1 . 2]" 2
45 1 98 LEU O 1 102 ASN N . . 3.100 2.867 2.754 3.089 . 0 0 "[ . 1 . 2]" 2
46 1 98 LEU O 1 102 ASN H . . 2.100 1.922 1.757 2.152 0.052 10 0 "[ . 1 . 2]" 2
47 1 36 ILE N 1 109 LEU O . . 3.100 2.911 2.778 3.087 . 0 0 "[ . 1 . 2]" 2
48 1 36 ILE H 1 109 LEU O . . 2.100 1.930 1.764 2.147 0.047 14 0 "[ . 1 . 2]" 2
49 1 38 GLU N 1 111 VAL O . . 3.100 3.014 2.868 3.142 0.042 19 0 "[ . 1 . 2]" 2
50 1 38 GLU H 1 111 VAL O . . 2.100 2.098 1.870 2.168 0.068 16 0 "[ . 1 . 2]" 2
51 1 40 ALA N 1 113 TYR O . . 3.100 2.981 2.813 3.142 0.042 3 0 "[ . 1 . 2]" 2
52 1 40 ALA H 1 113 TYR O . . 2.100 2.012 1.813 2.152 0.052 4 0 "[ . 1 . 2]" 2
53 1 61 VAL N 1 93 ALA O . . 3.100 2.875 2.803 3.067 . 0 0 "[ . 1 . 2]" 2
54 1 61 VAL H 1 93 ALA O . . 2.100 1.887 1.796 2.140 0.040 13 0 "[ . 1 . 2]" 2
55 1 81 PHE N 1 114 SER O . . 3.100 2.938 2.794 3.143 0.043 8 0 "[ . 1 . 2]" 2
56 1 81 PHE H 1 114 SER O . . 2.100 1.958 1.807 2.151 0.051 2 0 "[ . 1 . 2]" 2
57 1 34 PRO O 1 109 LEU N . . 3.100 3.078 2.989 3.138 0.038 5 0 "[ . 1 . 2]" 2
58 1 34 PRO O 1 109 LEU H . . 2.100 2.163 2.153 2.172 0.072 7 0 "[ . 1 . 2]" 2
59 1 36 ILE O 1 111 VAL N . . 3.100 2.970 2.838 3.125 0.025 4 0 "[ . 1 . 2]" 2
60 1 36 ILE O 1 111 VAL H . . 2.100 2.032 1.893 2.147 0.047 4 0 "[ . 1 . 2]" 2
61 1 38 GLU O 1 113 TYR N . . 3.100 3.047 2.969 3.114 0.014 18 0 "[ . 1 . 2]" 2
62 1 38 GLU O 1 113 TYR H . . 2.100 2.144 2.011 2.174 0.074 10 0 "[ . 1 . 2]" 2
63 1 83 PHE O 1 112 ALA N . . 3.100 2.945 2.808 3.131 0.031 10 0 "[ . 1 . 2]" 2
64 1 83 PHE O 1 112 ALA H . . 2.100 1.949 1.823 2.161 0.061 14 0 "[ . 1 . 2]" 2
65 1 81 PHE O 1 114 SER N . . 3.100 3.021 2.849 3.129 0.029 8 0 "[ . 1 . 2]" 2
66 1 81 PHE O 1 114 SER H . . 2.100 2.051 1.872 2.157 0.057 8 0 "[ . 1 . 2]" 2
67 1 35 VAL O 1 53 TYR N . . 3.100 2.890 2.794 3.014 . 0 0 "[ . 1 . 2]" 2
68 1 35 VAL O 1 53 TYR H . . 2.100 1.938 1.819 2.155 0.055 4 0 "[ . 1 . 2]" 2
69 1 33 VAL O 1 55 VAL N . . 3.100 3.131 3.049 3.159 0.059 18 0 "[ . 1 . 2]" 2
70 1 33 VAL O 1 55 VAL H . . 2.100 2.139 2.062 2.166 0.066 3 0 "[ . 1 . 2]" 2
71 1 31 ASP O 1 57 SER N . . 3.100 3.051 2.842 3.157 0.057 5 0 "[ . 1 . 2]" 2
72 1 31 ASP O 1 57 SER H . . 2.100 2.091 1.874 2.168 0.068 7 0 "[ . 1 . 2]" 2
73 1 33 VAL N 1 55 VAL O . . 3.100 2.852 2.786 2.968 . 0 0 "[ . 1 . 2]" 2
74 1 33 VAL H 1 55 VAL O . . 2.100 1.874 1.782 2.019 . 0 0 "[ . 1 . 2]" 2
75 1 35 VAL N 1 53 TYR O . . 3.100 2.829 2.738 2.936 . 0 0 "[ . 1 . 2]" 2
76 1 35 VAL H 1 53 TYR O . . 2.100 1.855 1.727 1.982 . 0 0 "[ . 1 . 2]" 2
77 1 37 VAL N 1 51 ARG O . . 3.100 3.005 2.826 3.147 0.047 11 0 "[ . 1 . 2]" 2
78 1 37 VAL H 1 51 ARG O . . 2.100 2.024 1.850 2.156 0.056 7 0 "[ . 1 . 2]" 2
stop_
save_
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