NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627762 |
6fgs   |
34233 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fgs
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 1538
_Distance_constraint_stats_list.Viol_count 3149
_Distance_constraint_stats_list.Viol_total 3331.312
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0529
_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 2 THR 0.127 0.052 2 0 "[ . 1 . 2]"
1 3 GLN 0.127 0.052 2 0 "[ . 1 . 2]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.172 0.090 9 0 "[ . 1 . 2]"
1 7 ASP 1.873 0.112 1 0 "[ . 1 . 2]"
1 8 SER 1.301 0.103 4 0 "[ . 1 . 2]"
1 9 ARG 0.643 0.093 17 0 "[ . 1 . 2]"
1 10 ARG 2.558 0.116 4 0 "[ . 1 . 2]"
1 11 LEU 2.887 0.116 4 0 "[ . 1 . 2]"
1 12 SER 0.932 0.084 3 0 "[ . 1 . 2]"
1 13 ILE 8.240 0.099 17 0 "[ . 1 . 2]"
1 14 GLN 4.230 0.073 20 0 "[ . 1 . 2]"
1 15 ARG 2.931 0.094 13 0 "[ . 1 . 2]"
1 16 ALA 2.649 0.094 2 0 "[ . 1 . 2]"
1 17 ILE 7.443 0.112 12 0 "[ . 1 . 2]"
1 18 GLN 1.894 0.072 14 0 "[ . 1 . 2]"
1 19 SER 2.191 0.071 1 0 "[ . 1 . 2]"
1 20 LEU 6.214 0.124 3 0 "[ . 1 . 2]"
1 21 VAL 6.366 0.105 12 0 "[ . 1 . 2]"
1 22 HIS 3.212 0.081 6 0 "[ . 1 . 2]"
1 23 ALA 4.953 0.110 20 0 "[ . 1 . 2]"
1 24 ALA 8.822 0.147 16 0 "[ . 1 . 2]"
1 25 GLN 3.832 0.105 12 0 "[ . 1 . 2]"
1 26 CYS 3.688 0.078 11 0 "[ . 1 . 2]"
1 27 ARG 0.147 0.071 18 0 "[ . 1 . 2]"
1 28 ASN 0.264 0.071 18 0 "[ . 1 . 2]"
1 29 ALA 0.364 0.077 16 0 "[ . 1 . 2]"
1 30 ASN 1.278 0.077 16 0 "[ . 1 . 2]"
1 31 CYS 1.276 0.065 11 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.026 0.026 12 0 "[ . 1 . 2]"
1 34 PRO 0.618 0.053 16 0 "[ . 1 . 2]"
1 35 SER 2.051 0.084 12 0 "[ . 1 . 2]"
1 36 CYS 1.373 0.067 10 0 "[ . 1 . 2]"
1 37 GLN 2.302 0.075 2 0 "[ . 1 . 2]"
1 38 LYS 3.485 0.101 3 0 "[ . 1 . 2]"
1 39 MET 8.638 0.124 20 0 "[ . 1 . 2]"
1 40 LYS 5.131 0.085 19 0 "[ . 1 . 2]"
1 41 ARG 3.736 0.098 4 0 "[ . 1 . 2]"
1 42 VAL 3.732 0.124 20 0 "[ . 1 . 2]"
1 43 VAL 6.430 0.112 7 0 "[ . 1 . 2]"
1 44 GLN 4.608 0.080 7 0 "[ . 1 . 2]"
1 45 HIS 4.727 0.079 20 0 "[ . 1 . 2]"
1 46 THR 5.325 0.118 12 0 "[ . 1 . 2]"
1 47 LYS 3.588 0.112 7 0 "[ . 1 . 2]"
1 48 GLY 1.356 0.079 8 0 "[ . 1 . 2]"
1 49 CYS 3.452 0.087 18 0 "[ . 1 . 2]"
1 50 LYS 2.021 0.073 17 0 "[ . 1 . 2]"
1 51 ARG 1.499 0.077 15 0 "[ . 1 . 2]"
1 52 LYS 5.396 0.088 6 0 "[ . 1 . 2]"
1 53 THR 0.746 0.079 1 0 "[ . 1 . 2]"
1 54 ASN 0.567 0.081 4 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.623 0.081 4 0 "[ . 1 . 2]"
1 57 CYS 1.283 0.077 15 0 "[ . 1 . 2]"
1 58 PRO 0.873 0.073 9 0 "[ . 1 . 2]"
1 59 ILE 5.720 0.129 13 0 "[ . 1 . 2]"
1 60 CYS 0.755 0.075 8 0 "[ . 1 . 2]"
1 61 LYS 0.899 0.075 6 0 "[ . 1 . 2]"
1 62 GLN 1.588 0.085 17 0 "[ . 1 . 2]"
1 63 LEU 9.861 0.147 16 0 "[ . 1 . 2]"
1 64 ILE 9.755 0.131 18 0 "[ . 1 . 2]"
1 65 ALA 2.047 0.096 3 0 "[ . 1 . 2]"
1 66 LEU 6.716 0.100 16 0 "[ . 1 . 2]"
1 67 ALA 4.110 0.103 4 0 "[ . 1 . 2]"
1 68 ALA 2.282 0.102 16 0 "[ . 1 . 2]"
1 69 TYR 8.212 0.112 12 0 "[ . 1 . 2]"
1 70 HIS 3.431 0.104 20 0 "[ . 1 . 2]"
1 71 ALA 3.141 0.083 14 0 "[ . 1 . 2]"
1 72 LYS 4.250 0.086 17 0 "[ . 1 . 2]"
1 73 HIS 2.218 0.078 8 0 "[ . 1 . 2]"
1 74 CYS 0.761 0.062 15 0 "[ . 1 . 2]"
1 75 GLN 1.083 0.088 16 0 "[ . 1 . 2]"
1 76 GLU 1.255 0.088 16 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.654 0.082 2 0 "[ . 1 . 2]"
1 79 CYS 0.740 0.090 20 0 "[ . 1 . 2]"
1 80 PRO 0.627 0.114 3 0 "[ . 1 . 2]"
1 81 VAL 5.086 0.103 4 0 "[ . 1 . 2]"
1 82 PRO 4.070 0.086 12 0 "[ . 1 . 2]"
1 83 PHE 7.037 0.088 6 0 "[ . 1 . 2]"
1 84 CYS 2.478 0.086 3 0 "[ . 1 . 2]"
1 85 LEU 2.743 0.114 3 0 "[ . 1 . 2]"
1 86 ASN 2.748 0.099 13 0 "[ . 1 . 2]"
1 87 ILE 8.295 0.103 20 0 "[ . 1 . 2]"
1 88 LYS 2.332 0.097 11 0 "[ . 1 . 2]"
1 89 GLN 3.518 0.106 9 0 "[ . 1 . 2]"
1 90 LYS 2.969 0.103 20 0 "[ . 1 . 2]"
1 91 GLY 0.131 0.057 13 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 0.469 0.093 17 0 "[ . 1 . 2]"
1 104 ILE 0.947 0.086 7 0 "[ . 1 . 2]"
1 105 GLU 1.844 0.093 17 0 "[ . 1 . 2]"
1 106 GLY 0.467 0.075 7 0 "[ . 1 . 2]"
1 107 ARG 0.836 0.089 4 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASP 0.025 0.017 1 0 "[ . 1 . 2]"
1 110 GLY 0.008 0.005 10 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 THR 4.298 0.096 8 0 "[ . 1 . 2]"
1 113 THR 1.468 0.090 11 0 "[ . 1 . 2]"
1 114 PHE 4.745 0.113 12 0 "[ . 1 . 2]"
1 115 GLU 2.412 0.096 8 0 "[ . 1 . 2]"
1 116 HIS 2.227 0.090 11 0 "[ . 1 . 2]"
1 117 LEU 3.986 0.113 12 0 "[ . 1 . 2]"
1 118 TRP 6.633 0.083 8 0 "[ . 1 . 2]"
1 119 SER 0.803 0.080 15 0 "[ . 1 . 2]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 1.306 0.111 14 0 "[ . 1 . 2]"
1 122 GLU 0.975 0.074 3 0 "[ . 1 . 2]"
1 123 PRO 0.797 0.069 15 0 "[ . 1 . 2]"
1 124 ASP 0.003 0.003 2 0 "[ . 1 . 2]"
1 125 SER 0.364 0.073 16 0 "[ . 1 . 2]"
1 126 THR 1.332 0.079 6 0 "[ . 1 . 2]"
1 127 TYR 5.802 0.111 14 0 "[ . 1 . 2]"
1 128 PHE 9.795 0.114 3 0 "[ . 1 . 2]"
1 129 ASP 0.757 0.084 13 0 "[ . 1 . 2]"
1 130 LEU 0.999 0.075 6 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 62 GLN QG 1 65 ALA MB . . 5.300 4.574 3.831 5.174 . 0 0 "[ . 1 . 2]" 1
2 1 62 GLN QG 1 121 LEU HG . . 5.500 4.843 2.575 5.576 0.076 14 0 "[ . 1 . 2]" 1
3 1 45 HIS HD2 1 46 THR HB . . 5.500 4.725 4.425 5.123 . 0 0 "[ . 1 . 2]" 1
4 1 46 THR HB 1 49 CYS H . . 5.500 4.843 4.484 5.205 . 0 0 "[ . 1 . 2]" 1
5 1 112 THR HB 1 114 PHE QD . . 5.290 3.445 2.737 4.106 . 0 0 "[ . 1 . 2]" 1
6 1 112 THR HB 1 115 GLU QG . . 4.880 3.171 2.019 4.235 . 0 0 "[ . 1 . 2]" 1
7 1 43 VAL HA 1 44 GLN HA . . 5.020 4.809 4.701 4.917 . 0 0 "[ . 1 . 2]" 1
8 1 43 VAL HA 1 46 THR HB . . 4.980 4.485 4.304 4.674 . 0 0 "[ . 1 . 2]" 1
9 1 43 VAL HA 1 43 VAL QG . . 2.870 2.283 2.137 2.417 . 0 0 "[ . 1 . 2]" 1
10 1 43 VAL HA 1 45 HIS H . . 5.340 4.336 4.115 4.559 . 0 0 "[ . 1 . 2]" 1
11 1 20 LEU HA 1 21 VAL HA . . 4.800 4.753 4.661 4.837 0.037 17 0 "[ . 1 . 2]" 1
12 1 20 LEU HB3 1 21 VAL HA . . 4.830 4.032 3.804 4.492 . 0 0 "[ . 1 . 2]" 1
13 1 17 ILE MG 1 21 VAL HA . . 5.500 5.483 5.107 5.588 0.088 2 0 "[ . 1 . 2]" 1
14 1 21 VAL HA 1 63 LEU QD . . 5.500 5.239 4.816 5.582 0.082 14 0 "[ . 1 . 2]" 1
15 1 21 VAL HA 1 21 VAL QG . . 2.870 2.315 2.137 2.421 . 0 0 "[ . 1 . 2]" 1
16 1 21 VAL HA 1 81 VAL MG1 . . 4.730 3.592 3.356 4.073 . 0 0 "[ . 1 . 2]" 1
17 1 46 THR HA 1 46 THR MG . . 3.450 2.294 2.164 2.460 . 0 0 "[ . 1 . 2]" 1
18 1 46 THR HA 1 59 ILE MG . . 5.140 4.790 4.298 5.225 0.085 17 0 "[ . 1 . 2]" 1
19 1 46 THR HA 1 52 LYS QE . . 5.500 5.262 4.383 5.573 0.073 14 0 "[ . 1 . 2]" 1
20 1 64 ILE HA 1 65 ALA HA . . 5.150 4.847 4.765 4.906 . 0 0 "[ . 1 . 2]" 1
21 1 63 LEU H 1 64 ILE HA . . 5.500 5.401 5.302 5.553 0.053 15 0 "[ . 1 . 2]" 1
22 1 64 ILE HA 1 66 LEU H . . 5.300 4.556 4.466 4.649 . 0 0 "[ . 1 . 2]" 1
23 1 63 LEU HG 1 64 ILE HA . . 5.190 3.613 3.368 3.855 . 0 0 "[ . 1 . 2]" 1
24 1 64 ILE HA 1 64 ILE QG . . 3.720 2.234 2.180 2.281 . 0 0 "[ . 1 . 2]" 1
25 1 17 ILE HA 1 20 LEU HB2 . . 3.870 3.134 2.653 3.423 . 0 0 "[ . 1 . 2]" 1
26 1 17 ILE HA 1 20 LEU HB3 . . 3.880 3.113 2.392 3.537 . 0 0 "[ . 1 . 2]" 1
27 1 16 ALA MB 1 17 ILE HA . . 3.970 3.866 3.807 3.930 . 0 0 "[ . 1 . 2]" 1
28 1 17 ILE HA 1 17 ILE QG . . 3.610 2.427 2.333 2.548 . 0 0 "[ . 1 . 2]" 1
29 1 17 ILE HA 1 21 VAL QG . . 4.610 4.148 3.538 4.490 . 0 0 "[ . 1 . 2]" 1
30 1 17 ILE HA 1 66 LEU MD2 . . 4.070 3.407 2.452 4.127 0.057 5 0 "[ . 1 . 2]" 1
31 1 58 PRO HA 1 62 GLN H . . 5.080 4.081 3.642 4.473 . 0 0 "[ . 1 . 2]" 1
32 1 58 PRO HA 1 61 LYS QE . . 4.940 3.818 2.396 5.008 0.068 10 0 "[ . 1 . 2]" 1
33 1 81 VAL HB 1 84 CYS HA . . 4.750 4.675 4.415 4.801 0.051 20 0 "[ . 1 . 2]" 1
34 1 67 ALA MB 1 84 CYS HA . . 3.980 3.125 2.473 3.689 . 0 0 "[ . 1 . 2]" 1
35 1 71 ALA MB 1 84 CYS HA . . 3.560 2.870 2.520 3.156 . 0 0 "[ . 1 . 2]" 1
36 1 71 ALA H 1 84 CYS HA . . 5.500 4.435 4.155 4.708 . 0 0 "[ . 1 . 2]" 1
37 1 84 CYS HA 1 88 LYS H . . 5.500 4.658 4.122 5.203 . 0 0 "[ . 1 . 2]" 1
38 1 59 ILE HA 1 62 GLN QB . . 4.860 2.968 2.180 4.316 . 0 0 "[ . 1 . 2]" 1
39 1 59 ILE HA 1 59 ILE QG . . 3.640 2.413 2.272 2.584 . 0 0 "[ . 1 . 2]" 1
40 1 59 ILE HA 1 62 GLN H . . 4.340 3.584 3.243 3.933 . 0 0 "[ . 1 . 2]" 1
41 1 35 SER HB2 1 39 MET HG2 . . 4.830 4.266 3.443 4.893 0.063 16 0 "[ . 1 . 2]" 1
42 1 35 SER HB2 1 38 LYS HD3 . . 4.820 4.700 4.033 4.890 0.070 2 0 "[ . 1 . 2]" 1
43 1 126 THR HA 1 127 TYR QD . . 5.180 4.903 4.522 5.234 0.054 2 0 "[ . 1 . 2]" 1
44 1 35 SER HB3 1 39 MET HG2 . . 4.830 4.188 3.328 4.883 0.053 19 0 "[ . 1 . 2]" 1
45 1 35 SER HB3 1 38 LYS HD3 . . 4.820 3.938 3.511 4.882 0.062 12 0 "[ . 1 . 2]" 1
46 1 112 THR HA 1 115 GLU QG . . 5.500 4.539 3.412 5.222 . 0 0 "[ . 1 . 2]" 1
47 1 114 PHE HA 1 115 GLU QG . . 5.500 5.149 4.669 5.557 0.057 10 0 "[ . 1 . 2]" 1
48 1 13 ILE MD 1 115 GLU QG . . 5.090 3.555 2.109 5.160 0.070 1 0 "[ . 1 . 2]" 1
49 1 112 THR MG 1 115 GLU QG . . 5.260 4.402 3.349 5.356 0.096 8 0 "[ . 1 . 2]" 1
50 1 2 THR HB 1 3 GLN H . . 4.300 3.470 2.003 4.352 0.052 2 0 "[ . 1 . 2]" 1
51 1 103 THR HB 1 105 GLU H . . 5.500 4.556 3.072 5.548 0.048 13 0 "[ . 1 . 2]" 1
52 1 41 ARG HA 1 42 VAL HA . . 5.030 4.744 4.651 4.885 . 0 0 "[ . 1 . 2]" 1
53 1 42 VAL HA 1 45 HIS HD2 . . 5.500 4.163 3.671 5.423 . 0 0 "[ . 1 . 2]" 1
54 1 41 ARG HB2 1 42 VAL HA . . 4.970 4.276 4.013 4.666 . 0 0 "[ . 1 . 2]" 1
55 1 41 ARG HB3 1 42 VAL HA . . 5.180 4.376 3.996 4.605 . 0 0 "[ . 1 . 2]" 1
56 1 42 VAL HA 1 46 THR MG . . 5.000 3.743 3.539 4.249 . 0 0 "[ . 1 . 2]" 1
57 1 42 VAL HA 1 42 VAL MG1 . . 3.380 2.540 2.148 3.282 . 0 0 "[ . 1 . 2]" 1
58 1 42 VAL HA 1 42 VAL MG2 . . 3.380 2.749 2.307 3.306 . 0 0 "[ . 1 . 2]" 1
59 1 42 VAL HA 1 59 ILE MG . . 4.150 3.099 2.847 3.493 . 0 0 "[ . 1 . 2]" 1
60 1 42 VAL HA 1 45 HIS HB3 . . 3.800 2.588 2.167 3.245 . 0 0 "[ . 1 . 2]" 1
61 1 24 ALA MB 1 81 VAL HA . . 3.520 3.327 3.095 3.496 . 0 0 "[ . 1 . 2]" 1
62 1 113 THR HA 1 116 HIS QB . . 4.670 4.173 3.703 4.645 . 0 0 "[ . 1 . 2]" 1
63 1 113 THR HA 1 113 THR MG . . 3.240 2.704 2.287 3.275 0.035 19 0 "[ . 1 . 2]" 1
64 1 113 THR HA 1 114 PHE QD . . 5.050 4.985 4.689 5.119 0.069 17 0 "[ . 1 . 2]" 1
65 1 19 SER HA 1 23 ALA H . . 4.690 3.840 3.645 4.164 . 0 0 "[ . 1 . 2]" 1
66 1 19 SER HA 1 22 HIS QB . . 3.500 2.617 2.317 2.876 . 0 0 "[ . 1 . 2]" 1
67 1 18 GLN HB2 1 19 SER HA . . 4.650 4.562 4.319 4.693 0.043 20 0 "[ . 1 . 2]" 1
68 1 104 ILE HA 1 105 GLU QG . . 5.240 4.672 3.528 5.158 . 0 0 "[ . 1 . 2]" 1
69 1 104 ILE HA 1 104 ILE HG12 . . 3.850 3.050 2.424 3.825 . 0 0 "[ . 1 . 2]" 1
70 1 104 ILE HA 1 104 ILE HG13 . . 3.850 2.960 2.326 3.789 . 0 0 "[ . 1 . 2]" 1
71 1 83 PHE HA 1 86 ASN QB . . 4.040 2.229 2.019 2.592 . 0 0 "[ . 1 . 2]" 1
72 1 82 PRO HA 1 83 PHE HA . . 5.120 4.732 4.666 4.782 . 0 0 "[ . 1 . 2]" 1
73 1 83 PHE HA 1 84 CYS HA . . 5.500 4.872 4.827 4.923 . 0 0 "[ . 1 . 2]" 1
74 1 83 PHE HA 1 83 PHE QE . . 5.000 4.425 4.316 4.500 . 0 0 "[ . 1 . 2]" 1
75 1 83 PHE HA 1 87 ILE MD . . 4.830 4.249 3.971 4.546 . 0 0 "[ . 1 . 2]" 1
76 1 8 SER HA 1 11 LEU QB . . 3.650 2.723 2.264 3.211 . 0 0 "[ . 1 . 2]" 1
77 1 35 SER HA 1 38 LYS HD3 . . 3.840 2.387 2.007 3.000 . 0 0 "[ . 1 . 2]" 1
78 1 35 SER HA 1 38 LYS QG . . 4.880 2.153 1.986 2.481 . 0 0 "[ . 1 . 2]" 1
79 1 8 SER HA 1 11 LEU QD . . 3.870 2.764 2.145 3.247 . 0 0 "[ . 1 . 2]" 1
80 1 7 ASP HA 1 8 SER HA . . 5.000 4.599 4.336 4.896 . 0 0 "[ . 1 . 2]" 1
81 1 35 SER HA 1 39 MET H . . 4.910 3.859 3.598 4.233 . 0 0 "[ . 1 . 2]" 1
82 1 8 SER HA 1 11 LEU H . . 4.080 3.443 3.076 3.961 . 0 0 "[ . 1 . 2]" 1
83 1 61 LYS HA 1 63 LEU H . . 5.080 4.401 4.147 4.605 . 0 0 "[ . 1 . 2]" 1
84 1 61 LYS HA 1 61 LYS QG . . 3.900 2.780 2.213 3.432 . 0 0 "[ . 1 . 2]" 1
85 1 61 LYS HA 1 64 ILE HB . . 3.850 3.044 2.335 3.589 . 0 0 "[ . 1 . 2]" 1
86 1 61 LYS HA 1 64 ILE MG . . 4.650 4.230 3.570 4.717 0.067 11 0 "[ . 1 . 2]" 1
87 1 88 LYS HA 1 88 LYS QD . . 3.460 2.281 2.067 3.502 0.042 13 0 "[ . 1 . 2]" 1
88 1 88 LYS HA 1 88 LYS QG . . 3.440 2.629 2.371 3.150 . 0 0 "[ . 1 . 2]" 1
89 1 37 GLN HA 1 40 LYS HD3 . . 4.130 3.617 2.574 4.201 0.071 4 0 "[ . 1 . 2]" 1
90 1 37 GLN HA 1 41 ARG H . . 5.500 5.193 4.896 5.542 0.042 9 0 "[ . 1 . 2]" 1
91 1 37 GLN HA 1 39 MET H . . 4.780 4.490 4.175 4.822 0.042 15 0 "[ . 1 . 2]" 1
92 1 41 ARG HA 1 44 GLN QG . . 4.640 4.180 3.209 4.708 0.068 14 0 "[ . 1 . 2]" 1
93 1 41 ARG HA 1 41 ARG QG . . 3.480 2.722 2.380 3.137 . 0 0 "[ . 1 . 2]" 1
94 1 40 LYS H 1 41 ARG HA . . 5.500 5.456 5.386 5.542 0.042 15 0 "[ . 1 . 2]" 1
95 1 114 PHE HA 1 114 PHE QD . . 3.910 3.727 3.674 3.782 . 0 0 "[ . 1 . 2]" 1
96 1 15 ARG HA 1 17 ILE H . . 4.840 4.745 4.616 4.879 0.039 1 0 "[ . 1 . 2]" 1
97 1 15 ARG HA 1 15 ARG QD . . 4.200 3.373 2.012 4.210 0.010 9 0 "[ . 1 . 2]" 1
98 1 15 ARG HA 1 15 ARG QG . . 3.500 2.545 2.130 3.008 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLN QB 1 15 ARG HA . . 3.890 3.921 3.818 3.963 0.073 20 0 "[ . 1 . 2]" 1
100 1 18 GLN HA 1 21 VAL QG . . 3.420 2.182 1.957 2.526 . 0 0 "[ . 1 . 2]" 1
101 1 18 GLN HA 1 22 HIS QB . . 4.430 4.381 4.263 4.502 0.072 14 0 "[ . 1 . 2]" 1
102 1 44 GLN HA 1 44 GLN QG . . 3.440 2.703 2.273 3.167 . 0 0 "[ . 1 . 2]" 1
103 1 44 GLN HA 1 47 LYS QB . . 3.660 2.967 2.563 3.723 0.063 12 0 "[ . 1 . 2]" 1
104 1 10 ARG HA 1 10 ARG HG2 . . 3.400 2.948 2.682 3.248 . 0 0 "[ . 1 . 2]" 1
105 1 44 GLN HA 1 47 LYS QD . . 3.650 2.595 2.117 3.236 . 0 0 "[ . 1 . 2]" 1
106 1 43 VAL QG 1 44 GLN HA . . 3.750 3.349 3.118 3.583 . 0 0 "[ . 1 . 2]" 1
107 1 127 TYR HA 1 127 TYR QD . . 3.920 3.757 3.714 3.797 . 0 0 "[ . 1 . 2]" 1
108 1 120 SER HA 1 121 LEU QB . . 5.430 5.016 4.710 5.393 . 0 0 "[ . 1 . 2]" 1
109 1 62 GLN HA 1 62 GLN QG . . 3.350 2.990 2.329 3.419 0.069 4 0 "[ . 1 . 2]" 1
110 1 62 GLN HA 1 64 ILE H . . 5.250 4.355 4.095 4.542 . 0 0 "[ . 1 . 2]" 1
111 1 10 ARG HA 1 13 ILE H . . 4.340 3.708 3.421 4.019 . 0 0 "[ . 1 . 2]" 1
112 1 9 ARG HA 1 9 ARG HG2 . . 4.110 3.109 2.346 3.764 . 0 0 "[ . 1 . 2]" 1
113 1 115 GLU HA 1 118 TRP HB2 . . 4.630 4.377 3.899 4.558 . 0 0 "[ . 1 . 2]" 1
114 1 115 GLU HA 1 118 TRP HB3 . . 5.500 5.512 5.135 5.566 0.066 20 0 "[ . 1 . 2]" 1
115 1 115 GLU HA 1 115 GLU QG . . 3.590 2.910 2.163 3.540 . 0 0 "[ . 1 . 2]" 1
116 1 72 LYS HA 1 72 LYS HG2 . . 3.880 3.849 3.727 3.942 0.062 19 0 "[ . 1 . 2]" 1
117 1 72 LYS HA 1 72 LYS HG3 . . 3.780 3.723 3.614 3.798 0.018 8 0 "[ . 1 . 2]" 1
118 1 118 TRP HA 1 121 LEU QB . . 3.820 2.631 2.258 3.875 0.055 20 0 "[ . 1 . 2]" 1
119 1 118 TRP HA 1 121 LEU QD . . 3.970 3.071 2.017 3.626 . 0 0 "[ . 1 . 2]" 1
120 1 52 LYS HA 1 57 CYS H . . 4.670 4.364 2.647 4.735 0.065 15 0 "[ . 1 . 2]" 1
121 1 118 TRP HA 1 118 TRP HD1 . . 4.920 4.688 4.486 4.813 . 0 0 "[ . 1 . 2]" 1
122 1 51 ARG QG 1 52 LYS HA . . 4.650 3.812 3.317 4.284 . 0 0 "[ . 1 . 2]" 1
123 1 51 ARG QB 1 52 LYS HA . . 4.920 4.558 4.250 4.834 . 0 0 "[ . 1 . 2]" 1
124 1 51 ARG HA 1 51 ARG QG . . 3.550 3.056 2.377 3.408 . 0 0 "[ . 1 . 2]" 1
125 1 89 GLN HA 1 89 GLN HG2 . . 3.820 2.920 2.356 3.674 . 0 0 "[ . 1 . 2]" 1
126 1 89 GLN HA 1 89 GLN HG3 . . 3.820 3.504 2.709 3.798 . 0 0 "[ . 1 . 2]" 1
127 1 10 ARG QB 1 11 LEU HA . . 4.250 3.910 3.796 4.002 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU HA 1 11 LEU QD . . 3.150 2.444 2.086 2.748 . 0 0 "[ . 1 . 2]" 1
129 1 116 HIS HA 1 116 HIS HD2 . . 4.870 4.656 4.395 4.780 . 0 0 "[ . 1 . 2]" 1
130 1 50 LYS HA 1 50 LYS QD . . 3.670 2.252 2.023 3.548 . 0 0 "[ . 1 . 2]" 1
131 1 50 LYS HA 1 50 LYS HG2 . . 3.860 3.358 2.435 3.878 0.018 2 0 "[ . 1 . 2]" 1
132 1 50 LYS HA 1 50 LYS HG3 . . 3.860 3.524 2.376 3.836 . 0 0 "[ . 1 . 2]" 1
133 1 117 LEU HA 1 117 LEU HG . . 4.030 2.306 2.185 2.384 . 0 0 "[ . 1 . 2]" 1
134 1 117 LEU HA 1 117 LEU MD1 . . 3.640 3.022 2.887 3.232 . 0 0 "[ . 1 . 2]" 1
135 1 39 MET HA 1 42 VAL H . . 3.800 3.255 3.044 3.494 . 0 0 "[ . 1 . 2]" 1
136 1 39 MET HA 1 39 MET HG2 . . 4.000 2.937 2.776 3.061 . 0 0 "[ . 1 . 2]" 1
137 1 39 MET HA 1 39 MET HG3 . . 4.050 3.698 3.665 3.766 . 0 0 "[ . 1 . 2]" 1
138 1 107 ARG HA 1 107 ARG QD . . 4.070 3.664 2.064 4.159 0.089 4 0 "[ . 1 . 2]" 1
139 1 76 GLU HA 1 76 GLU QG . . 3.840 2.841 2.323 3.552 . 0 0 "[ . 1 . 2]" 1
140 1 107 ARG HA 1 107 ARG QG . . 3.550 2.696 2.246 3.464 . 0 0 "[ . 1 . 2]" 1
141 1 67 ALA HA 1 70 HIS HB2 . . 4.340 4.103 3.594 4.397 0.057 11 0 "[ . 1 . 2]" 1
142 1 67 ALA HA 1 70 HIS HB3 . . 3.820 2.794 2.469 3.156 . 0 0 "[ . 1 . 2]" 1
143 1 66 LEU HA 1 67 ALA HA . . 5.220 4.867 4.786 4.993 . 0 0 "[ . 1 . 2]" 1
144 1 67 ALA HA 1 68 ALA HA . . 5.500 4.860 4.753 4.979 . 0 0 "[ . 1 . 2]" 1
145 1 17 ILE MG 1 67 ALA HA . . 4.820 3.964 3.423 4.480 . 0 0 "[ . 1 . 2]" 1
146 1 67 ALA HA 1 71 ALA H . . 4.510 4.183 3.997 4.408 . 0 0 "[ . 1 . 2]" 1
147 1 3 GLN HA 1 3 GLN QG . . 3.890 3.007 2.233 3.550 . 0 0 "[ . 1 . 2]" 1
148 1 65 ALA HA 1 67 ALA H . . 5.110 4.779 4.558 4.942 . 0 0 "[ . 1 . 2]" 1
149 1 68 ALA HA 1 71 ALA H . . 4.210 3.373 3.115 3.809 . 0 0 "[ . 1 . 2]" 1
150 1 23 ALA HA 1 26 CYS H . . 3.300 3.138 2.986 3.288 . 0 0 "[ . 1 . 2]" 1
151 1 23 ALA HA 1 40 LYS HE2 . . 4.560 3.072 2.119 4.585 0.025 10 0 "[ . 1 . 2]" 1
152 1 23 ALA HA 1 40 LYS HE3 . . 4.560 3.596 2.770 4.483 . 0 0 "[ . 1 . 2]" 1
153 1 23 ALA HA 1 26 CYS HB3 . . 3.660 2.309 2.057 2.558 . 0 0 "[ . 1 . 2]" 1
154 1 23 ALA HA 1 26 CYS HB2 . . 3.740 2.540 2.141 3.001 . 0 0 "[ . 1 . 2]" 1
155 1 71 ALA HA 1 74 CYS HB2 . . 3.490 2.947 2.553 3.298 . 0 0 "[ . 1 . 2]" 1
156 1 71 ALA HA 1 88 LYS QD . . 4.750 4.147 3.216 4.799 0.049 18 0 "[ . 1 . 2]" 1
157 1 71 ALA HA 1 74 CYS HB3 . . 3.970 3.672 2.732 4.025 0.055 15 0 "[ . 1 . 2]" 1
158 1 71 ALA HA 1 74 CYS H . . 4.190 3.594 3.211 3.896 . 0 0 "[ . 1 . 2]" 1
159 1 73 HIS HA 1 73 HIS HD2 . . 4.000 2.450 2.330 2.677 . 0 0 "[ . 1 . 2]" 1
160 1 129 ASP HA 1 130 LEU H . . 3.230 2.206 2.061 2.636 . 0 0 "[ . 1 . 2]" 1
161 1 24 ALA HA 1 43 VAL QG . . 3.260 2.052 1.811 2.358 . 0 0 "[ . 1 . 2]" 1
162 1 24 ALA HA 1 81 VAL MG2 . . 4.960 4.578 4.262 5.014 0.054 16 0 "[ . 1 . 2]" 1
163 1 23 ALA MB 1 24 ALA HA . . 4.310 3.882 3.773 3.997 . 0 0 "[ . 1 . 2]" 1
164 1 24 ALA HA 1 43 VAL HB . . 5.090 2.885 2.331 3.906 . 0 0 "[ . 1 . 2]" 1
165 1 58 PRO QD 1 59 ILE HB . . 4.970 4.691 4.349 5.035 0.065 4 0 "[ . 1 . 2]" 1
166 1 81 VAL HA 1 82 PRO HD2 . . 3.320 2.274 2.192 2.379 . 0 0 "[ . 1 . 2]" 1
167 1 81 VAL HA 1 82 PRO HD3 . . 3.320 2.338 2.242 2.407 . 0 0 "[ . 1 . 2]" 1
168 1 24 ALA MB 1 82 PRO HD2 . . 4.310 3.551 3.327 3.818 . 0 0 "[ . 1 . 2]" 1
169 1 81 VAL MG2 1 82 PRO HD2 . . 4.360 3.808 3.640 4.032 . 0 0 "[ . 1 . 2]" 1
170 1 47 LYS QB 1 48 GLY HA2 . . 4.930 4.255 3.980 4.817 . 0 0 "[ . 1 . 2]" 1
171 1 47 LYS QB 1 48 GLY HA3 . . 4.930 4.297 4.095 4.978 0.048 12 0 "[ . 1 . 2]" 1
172 1 41 ARG HB2 1 41 ARG QD . . 3.540 2.820 2.137 3.363 . 0 0 "[ . 1 . 2]" 1
173 1 15 ARG HB2 1 15 ARG QD . . 3.340 2.947 2.273 3.431 0.091 8 0 "[ . 1 . 2]" 1
174 1 41 ARG HB3 1 41 ARG QD . . 3.560 2.642 2.244 3.405 . 0 0 "[ . 1 . 2]" 1
175 1 10 ARG QD 1 11 LEU QD . . 5.480 5.280 4.774 5.596 0.116 4 0 "[ . 1 . 2]" 1
176 1 51 ARG HA 1 51 ARG QD . . 4.670 4.361 3.998 4.625 . 0 0 "[ . 1 . 2]" 1
177 1 27 ARG QB 1 27 ARG QD . . 3.460 2.280 2.081 2.600 . 0 0 "[ . 1 . 2]" 1
178 1 10 ARG QB 1 10 ARG QD . . 3.130 2.509 2.168 2.901 . 0 0 "[ . 1 . 2]" 1
179 1 10 ARG HA 1 10 ARG QD . . 3.970 2.298 2.019 2.805 . 0 0 "[ . 1 . 2]" 1
180 1 26 CYS HB3 1 40 LYS HE2 . . 3.870 2.285 1.937 3.524 . 0 0 "[ . 1 . 2]" 1
181 1 40 LYS HE2 1 40 LYS QG . . 3.910 2.933 2.153 3.385 . 0 0 "[ . 1 . 2]" 1
182 1 26 CYS HB3 1 40 LYS HE3 . . 3.870 3.026 1.848 3.846 . 0 0 "[ . 1 . 2]" 1
183 1 40 LYS HE3 1 40 LYS QG . . 3.910 2.730 2.196 3.369 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HB3 1 20 LEU MD2 . . 3.230 2.398 2.055 2.668 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HB2 1 21 VAL QG . . 4.870 4.643 3.782 4.951 0.081 19 0 "[ . 1 . 2]" 1
186 1 20 LEU HB2 1 21 VAL H . . 4.070 3.473 3.147 3.866 . 0 0 "[ . 1 . 2]" 1
187 1 78 LYS QB 1 78 LYS QE . . 4.040 2.407 1.941 3.904 . 0 0 "[ . 1 . 2]" 1
188 1 47 LYS QB 1 47 LYS QE . . 3.700 2.896 2.003 3.653 . 0 0 "[ . 1 . 2]" 1
189 1 50 LYS QE 1 50 LYS HG2 . . 3.870 2.632 2.179 3.528 . 0 0 "[ . 1 . 2]" 1
190 1 50 LYS QE 1 50 LYS HG3 . . 3.870 2.561 2.207 3.235 . 0 0 "[ . 1 . 2]" 1
191 1 47 LYS QE 1 47 LYS QG . . 3.320 2.384 2.065 2.901 . 0 0 "[ . 1 . 2]" 1
192 1 78 LYS QE 1 78 LYS QG . . 3.490 2.386 2.086 2.924 . 0 0 "[ . 1 . 2]" 1
193 1 61 LYS QE 1 61 LYS QG . . 3.440 2.368 2.033 2.966 . 0 0 "[ . 1 . 2]" 1
194 1 43 VAL QG 1 47 LYS QE . . 3.590 3.030 1.836 3.702 0.112 7 0 "[ . 1 . 2]" 1
195 1 72 LYS QE 1 72 LYS HG3 . . 3.640 2.658 2.268 3.202 . 0 0 "[ . 1 . 2]" 1
196 1 78 LYS HA 1 78 LYS QE . . 4.510 4.023 2.325 4.571 0.061 9 0 "[ . 1 . 2]" 1
197 1 44 GLN HA 1 47 LYS QE . . 4.060 3.800 2.586 4.137 0.077 13 0 "[ . 1 . 2]" 1
198 1 117 LEU HB2 1 117 LEU MD1 . . 3.250 2.330 2.252 2.391 . 0 0 "[ . 1 . 2]" 1
199 1 7 ASP QB 1 10 ARG QB . . 4.070 2.596 2.067 3.771 . 0 0 "[ . 1 . 2]" 1
200 1 7 ASP QB 1 10 ARG HG2 . . 4.360 2.827 2.091 4.380 0.020 13 0 "[ . 1 . 2]" 1
201 1 7 ASP QB 1 10 ARG HG3 . . 4.850 2.628 2.126 3.366 . 0 0 "[ . 1 . 2]" 1
202 1 7 ASP QB 1 10 ARG QD . . 4.500 4.142 3.594 4.584 0.084 12 0 "[ . 1 . 2]" 1
203 1 6 GLY QA 1 7 ASP QB . . 4.460 4.110 3.696 4.550 0.090 9 0 "[ . 1 . 2]" 1
204 1 7 ASP QB 1 8 SER HA . . 5.000 4.891 4.611 5.067 0.067 5 0 "[ . 1 . 2]" 1
205 1 129 ASP HB2 1 130 LEU H . . 4.570 3.987 2.292 4.431 . 0 0 "[ . 1 . 2]" 1
206 1 46 THR HB 1 63 LEU QB . . 4.810 4.258 3.668 4.874 0.064 20 0 "[ . 1 . 2]" 1
207 1 63 LEU QB 1 64 ILE H . . 4.400 2.545 2.366 2.683 . 0 0 "[ . 1 . 2]" 1
208 1 85 LEU QB 1 85 LEU HG . . 2.630 2.487 2.445 2.542 . 0 0 "[ . 1 . 2]" 1
209 1 65 ALA MB 1 114 PHE QB . . 4.980 4.026 3.367 4.800 . 0 0 "[ . 1 . 2]" 1
210 1 114 PHE QB 1 117 LEU HB2 . . 5.190 4.413 3.963 4.827 . 0 0 "[ . 1 . 2]" 1
211 1 114 PHE QB 1 117 LEU MD1 . . 4.450 2.753 2.337 3.102 . 0 0 "[ . 1 . 2]" 1
212 1 30 ASN HB2 1 31 CYS H . . 4.070 4.047 3.747 4.132 0.062 19 0 "[ . 1 . 2]" 1
213 1 29 ALA MB 1 30 ASN HB2 . . 5.460 4.344 3.919 4.817 . 0 0 "[ . 1 . 2]" 1
214 1 29 ALA MB 1 30 ASN HB3 . . 5.460 4.963 4.478 5.247 . 0 0 "[ . 1 . 2]" 1
215 1 10 ARG HA 1 13 ILE HB . . 4.110 2.790 2.480 3.060 . 0 0 "[ . 1 . 2]" 1
216 1 16 ALA MB 1 17 ILE HB . . 4.870 4.499 4.393 4.650 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLN HA 1 17 ILE HB . . 3.830 2.708 2.409 3.018 . 0 0 "[ . 1 . 2]" 1
218 1 83 PHE HB2 1 84 CYS HA . . 4.950 4.887 4.796 4.985 0.035 10 0 "[ . 1 . 2]" 1
219 1 83 PHE HB3 1 84 CYS HA . . 5.050 4.353 4.147 4.531 . 0 0 "[ . 1 . 2]" 1
220 1 67 ALA MB 1 83 PHE HB2 . . 3.800 3.416 2.994 3.583 . 0 0 "[ . 1 . 2]" 1
221 1 64 ILE QG 1 83 PHE HB2 . . 4.900 4.609 4.244 4.931 0.031 11 0 "[ . 1 . 2]" 1
222 1 64 ILE QG 1 83 PHE HB3 . . 4.590 3.252 2.935 3.504 . 0 0 "[ . 1 . 2]" 1
223 1 83 PHE HB2 1 87 ILE MD . . 4.640 4.410 3.981 4.708 0.068 18 0 "[ . 1 . 2]" 1
224 1 64 ILE MD 1 83 PHE HB3 . . 4.660 4.512 4.229 4.715 0.055 17 0 "[ . 1 . 2]" 1
225 1 83 PHE HB3 1 87 ILE H . . 5.370 4.835 4.410 5.208 . 0 0 "[ . 1 . 2]" 1
226 1 83 PHE HB3 1 86 ASN QB . . 4.550 4.092 3.826 4.462 . 0 0 "[ . 1 . 2]" 1
227 1 83 PHE HB2 1 86 ASN QB . . 5.220 4.872 4.677 5.179 . 0 0 "[ . 1 . 2]" 1
228 1 105 GLU HA 1 105 GLU QG . . 3.630 2.669 2.256 3.373 . 0 0 "[ . 1 . 2]" 1
229 1 86 ASN HA 1 89 GLN HG2 . . 4.760 3.668 1.961 4.828 0.068 9 0 "[ . 1 . 2]" 1
230 1 86 ASN HA 1 89 GLN HG3 . . 4.760 3.359 2.294 4.794 0.034 5 0 "[ . 1 . 2]" 1
231 1 14 GLN HA 1 14 GLN HG2 . . 3.410 2.427 2.235 2.693 . 0 0 "[ . 1 . 2]" 1
232 1 18 GLN HA 1 18 GLN HG3 . . 3.540 3.041 2.611 3.598 0.058 18 0 "[ . 1 . 2]" 1
233 1 18 GLN HA 1 18 GLN HG2 . . 3.540 2.518 2.222 2.915 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLN H 1 18 GLN HG3 . . 3.690 2.614 2.231 3.751 0.061 20 0 "[ . 1 . 2]" 1
235 1 14 GLN H 1 14 GLN HG3 . . 3.590 2.523 2.324 3.021 . 0 0 "[ . 1 . 2]" 1
236 1 89 GLN H 1 89 GLN HG2 . . 4.010 2.755 1.965 3.703 . 0 0 "[ . 1 . 2]" 1
237 1 37 GLN HG2 1 38 LYS H . . 4.750 3.780 2.387 4.825 0.075 2 0 "[ . 1 . 2]" 1
238 1 89 GLN HG2 1 90 LYS H . . 5.380 4.629 3.019 5.367 . 0 0 "[ . 1 . 2]" 1
239 1 89 GLN HG3 1 90 LYS H . . 5.380 4.763 2.623 5.448 0.068 4 0 "[ . 1 . 2]" 1
240 1 14 GLN HG2 1 17 ILE MG . . 5.410 5.068 4.447 5.474 0.064 14 0 "[ . 1 . 2]" 1
241 1 17 ILE MG 1 18 GLN HG3 . . 4.690 3.844 3.179 4.759 0.069 13 0 "[ . 1 . 2]" 1
242 1 14 GLN HG2 1 17 ILE MD . . 4.490 3.561 3.204 4.103 . 0 0 "[ . 1 . 2]" 1
243 1 13 ILE MG 1 14 GLN HG3 . . 4.410 3.699 3.118 4.450 0.040 14 0 "[ . 1 . 2]" 1
244 1 38 LYS HD3 1 39 MET HG2 . . 4.790 4.316 4.058 4.850 0.060 17 0 "[ . 1 . 2]" 1
245 1 23 ALA MB 1 39 MET HG2 . . 4.150 4.043 3.847 4.174 0.024 3 0 "[ . 1 . 2]" 1
246 1 23 ALA MB 1 39 MET HG3 . . 3.840 3.266 3.057 3.448 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU HA 1 39 MET HG2 . . 4.460 4.377 4.103 4.519 0.059 17 0 "[ . 1 . 2]" 1
248 1 20 LEU HA 1 39 MET HG3 . . 3.870 2.786 2.509 3.020 . 0 0 "[ . 1 . 2]" 1
249 1 39 MET HG3 1 40 LYS H . . 5.500 5.309 5.127 5.468 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA H 1 25 GLN HG3 . . 5.110 5.115 4.674 5.174 0.064 8 0 "[ . 1 . 2]" 1
251 1 25 GLN HA 1 25 GLN HG3 . . 3.700 3.737 3.624 3.768 0.068 1 0 "[ . 1 . 2]" 1
252 1 25 GLN HA 1 25 GLN HG2 . . 4.180 3.785 3.609 4.049 . 0 0 "[ . 1 . 2]" 1
253 1 22 HIS HA 1 25 GLN HG3 . . 4.350 3.196 2.859 3.347 . 0 0 "[ . 1 . 2]" 1
254 1 22 HIS QB 1 25 GLN HG3 . . 5.050 5.025 4.810 5.127 0.077 1 0 "[ . 1 . 2]" 1
255 1 21 VAL HA 1 25 GLN HG2 . . 5.180 4.718 4.388 5.017 . 0 0 "[ . 1 . 2]" 1
256 1 22 HIS QB 1 25 GLN HG2 . . 5.500 5.004 4.741 5.558 0.058 2 0 "[ . 1 . 2]" 1
257 1 24 ALA MB 1 25 GLN HG3 . . 4.900 4.819 4.235 4.973 0.073 16 0 "[ . 1 . 2]" 1
258 1 21 VAL QG 1 25 GLN HG3 . . 5.350 4.841 4.279 5.427 0.077 7 0 "[ . 1 . 2]" 1
259 1 72 LYS HB3 1 72 LYS QE . . 4.910 3.984 3.381 4.211 . 0 0 "[ . 1 . 2]" 1
260 1 72 LYS HB2 1 72 LYS QE . . 4.700 4.053 3.944 4.211 . 0 0 "[ . 1 . 2]" 1
261 1 72 LYS HB3 1 73 HIS H . . 4.670 4.530 4.460 4.628 . 0 0 "[ . 1 . 2]" 1
262 1 21 VAL HB 1 22 HIS H . . 4.050 3.993 3.776 4.096 0.046 1 0 "[ . 1 . 2]" 1
263 1 42 VAL HB 1 59 ILE MG . . 4.570 3.503 2.308 4.643 0.073 13 0 "[ . 1 . 2]" 1
264 1 20 LEU HA 1 39 MET HB2 . . 4.510 3.950 3.551 4.217 . 0 0 "[ . 1 . 2]" 1
265 1 42 VAL HB 1 43 VAL H . . 4.040 3.365 2.442 4.112 0.072 5 0 "[ . 1 . 2]" 1
266 1 40 LYS HA 1 43 VAL HB . . 4.630 4.540 4.084 4.705 0.075 7 0 "[ . 1 . 2]" 1
267 1 24 ALA MB 1 43 VAL HB . . 4.780 3.247 2.877 3.870 . 0 0 "[ . 1 . 2]" 1
268 1 81 VAL MG1 1 82 PRO QB . . 4.920 4.488 4.344 4.607 . 0 0 "[ . 1 . 2]" 1
269 1 81 VAL HA 1 82 PRO QB . . 5.220 4.694 4.647 4.753 . 0 0 "[ . 1 . 2]" 1
270 1 82 PRO QB 1 83 PHE HB2 . . 5.500 5.056 4.820 5.242 . 0 0 "[ . 1 . 2]" 1
271 1 82 PRO QB 1 83 PHE HA . . 5.060 4.063 3.918 4.187 . 0 0 "[ . 1 . 2]" 1
272 1 82 PRO QB 1 83 PHE QE . . 4.880 4.318 4.002 4.584 . 0 0 "[ . 1 . 2]" 1
273 1 39 MET HB3 1 40 LYS H . . 4.490 3.781 3.636 3.948 . 0 0 "[ . 1 . 2]" 1
274 1 21 VAL H 1 21 VAL HB . . 3.810 2.913 2.309 3.715 . 0 0 "[ . 1 . 2]" 1
275 1 107 ARG HB3 1 107 ARG QG . . 2.730 2.333 2.127 2.522 . 0 0 "[ . 1 . 2]" 1
276 1 107 ARG HB2 1 107 ARG QG . . 2.730 2.380 2.134 2.484 . 0 0 "[ . 1 . 2]" 1
277 1 78 LYS QB 1 85 LEU QD . . 4.810 4.401 2.462 4.887 0.077 2 0 "[ . 1 . 2]" 1
278 1 71 ALA MB 1 74 CYS HB2 . . 4.940 4.529 4.182 4.815 . 0 0 "[ . 1 . 2]" 1
279 1 38 LYS HA 1 41 ARG HB2 . . 4.410 4.028 3.493 4.456 0.046 12 0 "[ . 1 . 2]" 1
280 1 40 LYS H 1 41 ARG HB2 . . 5.500 5.157 4.873 5.310 . 0 0 "[ . 1 . 2]" 1
281 1 41 ARG H 1 41 ARG HB3 . . 3.670 3.633 3.536 3.685 0.015 19 0 "[ . 1 . 2]" 1
282 1 64 ILE QG 1 67 ALA MB . . 4.560 3.502 3.301 3.603 . 0 0 "[ . 1 . 2]" 1
283 1 70 HIS HE1 1 74 CYS HB3 . . 4.950 4.633 4.221 4.989 0.039 16 0 "[ . 1 . 2]" 1
284 1 81 VAL HB 1 84 CYS HB2 . . 3.770 2.303 2.099 2.522 . 0 0 "[ . 1 . 2]" 1
285 1 81 VAL MG2 1 84 CYS HB3 . . 5.020 4.419 4.147 4.742 . 0 0 "[ . 1 . 2]" 1
286 1 21 VAL QG 1 84 CYS HB3 . . 5.500 5.345 4.924 5.586 0.086 3 0 "[ . 1 . 2]" 1
287 1 21 VAL QG 1 84 CYS HB2 . . 5.290 4.287 3.640 4.578 . 0 0 "[ . 1 . 2]" 1
288 1 84 CYS HB3 1 85 LEU QB . . 4.630 3.879 3.712 4.043 . 0 0 "[ . 1 . 2]" 1
289 1 81 VAL HB 1 84 CYS HB3 . . 3.910 2.896 2.555 3.240 . 0 0 "[ . 1 . 2]" 1
290 1 83 PHE H 1 84 CYS HB3 . . 5.200 4.813 4.541 5.139 . 0 0 "[ . 1 . 2]" 1
291 1 17 ILE QG 1 66 LEU MD1 . . 4.270 2.514 1.987 3.383 . 0 0 "[ . 1 . 2]" 1
292 1 17 ILE QG 1 66 LEU MD2 . . 4.270 2.378 1.999 3.005 . 0 0 "[ . 1 . 2]" 1
293 1 17 ILE QG 1 70 HIS HB3 . . 5.280 4.733 4.465 4.951 . 0 0 "[ . 1 . 2]" 1
294 1 14 GLN HA 1 17 ILE QG . . 4.640 3.887 3.745 4.084 . 0 0 "[ . 1 . 2]" 1
295 1 17 ILE QG 1 66 LEU HA . . 4.960 3.447 2.865 4.008 . 0 0 "[ . 1 . 2]" 1
296 1 16 ALA H 1 17 ILE QG . . 5.500 4.604 4.433 4.738 . 0 0 "[ . 1 . 2]" 1
297 1 16 ALA MB 1 17 ILE QG . . 4.640 3.157 2.999 3.323 . 0 0 "[ . 1 . 2]" 1
298 1 18 GLN HB3 1 21 VAL QG . . 4.250 4.031 3.716 4.315 0.065 3 0 "[ . 1 . 2]" 1
299 1 41 ARG HA 1 44 GLN HB2 . . 4.160 3.401 2.360 4.093 . 0 0 "[ . 1 . 2]" 1
300 1 41 ARG HA 1 44 GLN HB3 . . 4.160 3.026 2.223 4.225 0.065 15 0 "[ . 1 . 2]" 1
301 1 44 GLN H 1 44 GLN HB3 . . 3.580 2.693 2.227 3.578 . 0 0 "[ . 1 . 2]" 1
302 1 14 GLN QB 1 15 ARG H . . 2.910 2.590 2.427 2.758 . 0 0 "[ . 1 . 2]" 1
303 1 14 GLN QB 1 15 ARG QG . . 4.300 3.505 3.209 3.799 . 0 0 "[ . 1 . 2]" 1
304 1 10 ARG HA 1 10 ARG HG3 . . 4.180 3.819 3.732 3.897 . 0 0 "[ . 1 . 2]" 1
305 1 9 ARG HA 1 9 ARG HG3 . . 4.110 3.536 2.293 4.079 . 0 0 "[ . 1 . 2]" 1
306 1 10 ARG HG3 1 11 LEU H . . 5.110 4.860 4.629 5.094 . 0 0 "[ . 1 . 2]" 1
307 1 40 LYS QG 1 41 ARG H . . 5.390 4.265 3.932 4.741 . 0 0 "[ . 1 . 2]" 1
308 1 40 LYS HA 1 40 LYS QG . . 3.780 2.809 2.196 3.211 . 0 0 "[ . 1 . 2]" 1
309 1 21 VAL QG 1 70 HIS HB2 . . 4.570 3.101 2.307 3.610 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL QG 1 70 HIS HB3 . . 4.160 3.641 2.622 4.264 0.104 20 0 "[ . 1 . 2]" 1
311 1 22 HIS QB 1 24 ALA H . . 5.500 4.680 4.599 4.787 . 0 0 "[ . 1 . 2]" 1
312 1 42 VAL HA 1 45 HIS HB2 . . 4.530 3.726 3.317 4.198 . 0 0 "[ . 1 . 2]" 1
313 1 45 HIS HB3 1 46 THR H . . 4.390 2.486 2.355 2.715 . 0 0 "[ . 1 . 2]" 1
314 1 44 GLN H 1 45 HIS HB3 . . 5.440 4.656 4.266 5.031 . 0 0 "[ . 1 . 2]" 1
315 1 20 LEU HB3 1 20 LEU MD1 . . 3.230 2.534 2.274 3.192 . 0 0 "[ . 1 . 2]" 1
316 1 20 LEU HA 1 20 LEU MD1 . . 3.920 3.564 2.464 3.858 . 0 0 "[ . 1 . 2]" 1
317 1 88 LYS H 1 88 LYS QG . . 4.140 3.404 2.045 4.056 . 0 0 "[ . 1 . 2]" 1
318 1 121 LEU QB 1 121 LEU QD . . 2.840 1.934 1.891 1.988 . 0 0 "[ . 1 . 2]" 1
319 1 63 LEU QB 1 63 LEU QD . . 2.540 1.983 1.956 2.027 . 0 0 "[ . 1 . 2]" 1
320 1 46 THR MG 1 63 LEU QD . . 2.760 1.973 1.791 2.070 . 0 0 "[ . 1 . 2]" 1
321 1 62 GLN QG 1 121 LEU QD . . 4.160 2.959 2.089 3.971 . 0 0 "[ . 1 . 2]" 1
322 1 17 ILE HA 1 66 LEU MD1 . . 4.070 3.474 2.704 4.011 . 0 0 "[ . 1 . 2]" 1
323 1 121 LEU HA 1 121 LEU QD . . 3.660 2.564 2.037 3.154 . 0 0 "[ . 1 . 2]" 1
324 1 121 LEU QD 1 122 GLU H . . 4.160 2.816 1.967 3.982 . 0 0 "[ . 1 . 2]" 1
325 1 66 LEU MD1 1 67 ALA H . . 4.840 4.723 4.312 4.913 0.073 18 0 "[ . 1 . 2]" 1
326 1 47 LYS HA 1 47 LYS QG . . 3.770 2.470 2.258 3.392 . 0 0 "[ . 1 . 2]" 1
327 1 38 LYS HA 1 38 LYS QG . . 3.900 3.359 3.326 3.408 . 0 0 "[ . 1 . 2]" 1
328 1 44 GLN HA 1 47 LYS QG . . 4.560 3.885 2.146 4.599 0.039 10 0 "[ . 1 . 2]" 1
329 1 58 PRO HA 1 61 LYS QG . . 5.090 3.422 2.106 5.138 0.048 4 0 "[ . 1 . 2]" 1
330 1 47 LYS H 1 47 LYS QG . . 4.070 2.861 2.349 3.956 . 0 0 "[ . 1 . 2]" 1
331 1 38 LYS HD2 1 38 LYS QG . . 2.620 2.406 2.336 2.496 . 0 0 "[ . 1 . 2]" 1
332 1 24 ALA MB 1 63 LEU QD . . 3.900 3.967 3.727 4.047 0.147 16 0 "[ . 1 . 2]" 1
333 1 42 VAL HB 1 63 LEU QD . . 5.000 4.138 3.367 5.095 0.095 14 0 "[ . 1 . 2]" 1
334 1 43 VAL HA 1 63 LEU QD . . 3.580 3.281 2.651 3.677 0.097 20 0 "[ . 1 . 2]" 1
335 1 46 THR HB 1 63 LEU QD . . 2.890 2.577 2.247 2.990 0.100 17 0 "[ . 1 . 2]" 1
336 1 20 LEU HA 1 63 LEU QD . . 5.000 4.830 4.432 5.070 0.070 7 0 "[ . 1 . 2]" 1
337 1 46 THR HA 1 63 LEU QD . . 4.440 4.352 4.167 4.524 0.084 4 0 "[ . 1 . 2]" 1
338 1 63 LEU QD 1 67 ALA H . . 4.700 3.552 3.234 3.993 . 0 0 "[ . 1 . 2]" 1
339 1 63 LEU QD 1 64 ILE H . . 4.240 3.889 3.782 4.025 . 0 0 "[ . 1 . 2]" 1
340 1 43 VAL H 1 63 LEU QD . . 5.200 4.609 4.005 5.060 . 0 0 "[ . 1 . 2]" 1
341 1 63 LEU H 1 63 LEU QD . . 3.810 3.765 3.694 3.865 0.055 10 0 "[ . 1 . 2]" 1
342 1 63 LEU QD 1 83 PHE H . . 4.880 4.425 4.038 4.821 . 0 0 "[ . 1 . 2]" 1
343 1 63 LEU QD 1 66 LEU H . . 5.060 4.399 4.159 4.643 . 0 0 "[ . 1 . 2]" 1
344 1 38 LYS QG 1 39 MET HG2 . . 5.310 2.770 2.432 3.042 . 0 0 "[ . 1 . 2]" 1
345 1 63 LEU QD 1 64 ILE MD . . 4.370 4.431 3.743 4.501 0.131 18 0 "[ . 1 . 2]" 1
346 1 59 ILE MG 1 63 LEU QD . . 3.520 3.614 3.528 3.649 0.129 13 0 "[ . 1 . 2]" 1
347 1 63 LEU QD 1 83 PHE HB3 . . 4.890 3.562 3.186 4.021 . 0 0 "[ . 1 . 2]" 1
348 1 85 LEU QB 1 85 LEU QD . . 2.740 1.923 1.887 1.961 . 0 0 "[ . 1 . 2]" 1
349 1 85 LEU QD 1 89 GLN QB . . 4.670 4.215 3.727 4.697 0.027 16 0 "[ . 1 . 2]" 1
350 1 85 LEU QD 1 89 GLN HG3 . . 4.490 3.617 2.619 4.588 0.098 3 0 "[ . 1 . 2]" 1
351 1 85 LEU QD 1 89 GLN HG2 . . 4.490 3.785 2.740 4.596 0.106 9 0 "[ . 1 . 2]" 1
352 1 85 LEU QD 1 86 ASN QB . . 4.080 3.257 2.805 3.945 . 0 0 "[ . 1 . 2]" 1
353 1 84 CYS HB3 1 85 LEU QD . . 4.760 4.061 3.843 4.257 . 0 0 "[ . 1 . 2]" 1
354 1 85 LEU HA 1 85 LEU QD . . 3.640 3.448 3.420 3.503 . 0 0 "[ . 1 . 2]" 1
355 1 78 LYS HA 1 85 LEU QD . . 4.210 3.721 3.058 4.278 0.068 20 0 "[ . 1 . 2]" 1
356 1 85 LEU QD 1 87 ILE H . . 5.260 4.706 4.551 4.845 . 0 0 "[ . 1 . 2]" 1
357 1 85 LEU QD 1 88 LYS H . . 5.180 5.072 4.798 5.244 0.064 6 0 "[ . 1 . 2]" 1
358 1 11 LEU QD 1 14 GLN QB . . 4.710 4.016 3.006 4.483 . 0 0 "[ . 1 . 2]" 1
359 1 7 ASP QB 1 11 LEU QD . . 4.240 3.819 2.990 4.352 0.112 1 0 "[ . 1 . 2]" 1
360 1 11 LEU QD 1 15 ARG QD . . 4.770 4.488 3.687 4.864 0.094 13 0 "[ . 1 . 2]" 1
361 1 11 LEU QD 1 14 GLN HG3 . . 5.040 4.844 3.963 5.107 0.067 13 0 "[ . 1 . 2]" 1
362 1 8 SER QB 1 11 LEU QD . . 4.450 4.157 3.578 4.553 0.103 4 0 "[ . 1 . 2]" 1
363 1 11 LEU H 1 11 LEU QD . . 3.820 2.548 2.133 3.185 . 0 0 "[ . 1 . 2]" 1
364 1 66 LEU MD2 1 67 ALA H . . 4.840 4.653 4.323 4.901 0.061 18 0 "[ . 1 . 2]" 1
365 1 66 LEU H 1 66 LEU MD2 . . 4.270 3.975 3.448 4.342 0.072 9 0 "[ . 1 . 2]" 1
366 1 70 HIS HE1 1 81 VAL MG2 . . 4.510 4.436 3.867 4.583 0.073 1 0 "[ . 1 . 2]" 1
367 1 81 VAL HA 1 81 VAL MG2 . . 3.150 2.351 2.283 2.469 . 0 0 "[ . 1 . 2]" 1
368 1 81 VAL MG2 1 82 PRO HD3 . . 4.360 4.286 4.173 4.426 0.066 18 0 "[ . 1 . 2]" 1
369 1 21 VAL HA 1 81 VAL MG2 . . 3.220 2.477 2.230 2.789 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLN HG2 1 81 VAL MG2 . . 4.920 3.639 2.709 4.331 . 0 0 "[ . 1 . 2]" 1
371 1 21 VAL QG 1 81 VAL MG2 . . 2.850 2.177 1.965 2.613 . 0 0 "[ . 1 . 2]" 1
372 1 117 LEU HB2 1 117 LEU MD2 . . 3.250 2.585 2.501 2.681 . 0 0 "[ . 1 . 2]" 1
373 1 114 PHE QB 1 117 LEU MD2 . . 4.450 4.058 3.580 4.488 0.038 17 0 "[ . 1 . 2]" 1
374 1 117 LEU HA 1 117 LEU MD2 . . 3.640 3.638 3.503 3.715 0.075 18 0 "[ . 1 . 2]" 1
375 1 114 PHE QD 1 117 LEU MD2 . . 4.110 4.072 3.571 4.193 0.083 9 0 "[ . 1 . 2]" 1
376 1 117 LEU MD2 1 118 TRP H . . 5.430 5.150 4.865 5.344 . 0 0 "[ . 1 . 2]" 1
377 1 40 LYS HA 1 43 VAL QG . . 3.510 2.042 1.882 2.364 . 0 0 "[ . 1 . 2]" 1
378 1 20 LEU HA 1 20 LEU MD2 . . 3.920 2.685 2.058 3.874 . 0 0 "[ . 1 . 2]" 1
379 1 41 ARG HA 1 43 VAL QG . . 4.430 4.442 4.277 4.528 0.098 4 0 "[ . 1 . 2]" 1
380 1 43 VAL H 1 43 VAL QG . . 2.960 2.017 1.842 2.369 . 0 0 "[ . 1 . 2]" 1
381 1 21 VAL QG 1 81 VAL H . . 4.880 4.642 4.087 4.976 0.096 18 0 "[ . 1 . 2]" 1
382 1 42 VAL H 1 43 VAL QG . . 4.200 3.901 3.598 4.256 0.056 16 0 "[ . 1 . 2]" 1
383 1 42 VAL H 1 42 VAL MG1 . . 3.990 2.836 1.830 3.779 . 0 0 "[ . 1 . 2]" 1
384 1 43 VAL HA 1 46 THR MG . . 3.550 3.502 2.540 3.641 0.091 3 0 "[ . 1 . 2]" 1
385 1 46 THR MG 1 83 PHE QD . . 4.800 4.536 3.975 4.869 0.069 9 0 "[ . 1 . 2]" 1
386 1 46 THR H 1 46 THR MG . . 3.250 2.138 2.009 2.205 . 0 0 "[ . 1 . 2]" 1
387 1 10 ARG QB 1 112 THR MG . . 4.700 4.525 4.092 4.789 0.089 8 0 "[ . 1 . 2]" 1
388 1 10 ARG HG2 1 112 THR MG . . 3.950 3.667 2.711 4.031 0.081 16 0 "[ . 1 . 2]" 1
389 1 113 THR MG 1 116 HIS QB . . 4.610 3.907 2.942 4.700 0.090 11 0 "[ . 1 . 2]" 1
390 1 112 THR HA 1 112 THR MG . . 3.250 2.256 2.121 2.359 . 0 0 "[ . 1 . 2]" 1
391 1 112 THR MG 1 114 PHE QD . . 4.550 3.573 3.257 3.912 . 0 0 "[ . 1 . 2]" 1
392 1 126 THR MG 1 127 TYR HB2 . . 4.740 4.525 4.061 4.817 0.077 18 0 "[ . 1 . 2]" 1
393 1 126 THR HA 1 126 THR MG . . 3.370 3.223 2.552 3.292 . 0 0 "[ . 1 . 2]" 1
394 1 126 THR MG 1 127 TYR HA . . 4.230 3.955 3.505 4.193 . 0 0 "[ . 1 . 2]" 1
395 1 71 ALA MB 1 88 LYS QD . . 3.100 2.554 2.054 3.163 0.063 18 0 "[ . 1 . 2]" 1
396 1 23 ALA MB 1 39 MET HB3 . . 3.080 2.159 2.075 2.302 . 0 0 "[ . 1 . 2]" 1
397 1 23 ALA MB 1 40 LYS QG . . 3.580 3.492 1.916 3.665 0.085 19 0 "[ . 1 . 2]" 1
398 1 71 ALA MB 1 72 LYS HG2 . . 4.420 4.222 3.854 4.484 0.064 7 0 "[ . 1 . 2]" 1
399 1 71 ALA MB 1 72 LYS HG3 . . 5.220 5.180 4.897 5.283 0.063 8 0 "[ . 1 . 2]" 1
400 1 23 ALA MB 1 43 VAL QG . . 3.310 2.788 2.112 3.420 0.110 20 0 "[ . 1 . 2]" 1
401 1 71 ALA MB 1 87 ILE MG . . 3.330 2.634 2.211 3.141 . 0 0 "[ . 1 . 2]" 1
402 1 23 ALA MB 1 39 MET HB2 . . 3.230 2.149 2.043 2.262 . 0 0 "[ . 1 . 2]" 1
403 1 23 ALA MB 1 26 CYS HB3 . . 3.910 3.821 3.695 3.970 0.060 6 0 "[ . 1 . 2]" 1
404 1 71 ALA MB 1 84 CYS HB2 . . 4.450 4.354 4.070 4.515 0.065 17 0 "[ . 1 . 2]" 1
405 1 68 ALA HA 1 71 ALA MB . . 3.110 2.486 2.209 2.853 . 0 0 "[ . 1 . 2]" 1
406 1 20 LEU HA 1 23 ALA MB . . 3.210 2.834 2.610 3.232 0.022 2 0 "[ . 1 . 2]" 1
407 1 23 ALA MB 1 40 LYS HA . . 3.450 2.788 2.490 3.073 . 0 0 "[ . 1 . 2]" 1
408 1 22 HIS QB 1 23 ALA MB . . 4.310 3.947 3.830 4.086 . 0 0 "[ . 1 . 2]" 1
409 1 23 ALA MB 1 40 LYS HE2 . . 4.790 3.656 2.950 4.798 0.008 10 0 "[ . 1 . 2]" 1
410 1 70 HIS HB3 1 71 ALA MB . . 4.560 4.388 4.204 4.579 0.019 4 0 "[ . 1 . 2]" 1
411 1 23 ALA MB 1 40 LYS HE3 . . 4.790 3.814 3.189 4.874 0.084 18 0 "[ . 1 . 2]" 1
412 1 70 HIS HA 1 71 ALA MB . . 5.020 5.048 5.005 5.072 0.052 19 0 "[ . 1 . 2]" 1
413 1 19 SER HA 1 23 ALA MB . . 4.760 4.443 4.229 4.796 0.036 19 0 "[ . 1 . 2]" 1
414 1 23 ALA MB 1 39 MET HA . . 4.340 4.015 3.910 4.147 . 0 0 "[ . 1 . 2]" 1
415 1 23 ALA MB 1 40 LYS H . . 3.660 3.070 2.781 3.252 . 0 0 "[ . 1 . 2]" 1
416 1 71 ALA H 1 71 ALA MB . . 2.990 2.210 2.172 2.243 . 0 0 "[ . 1 . 2]" 1
417 1 23 ALA H 1 23 ALA MB . . 3.020 2.198 2.137 2.277 . 0 0 "[ . 1 . 2]" 1
418 1 71 ALA MB 1 87 ILE H . . 4.660 4.571 4.167 4.742 0.082 8 0 "[ . 1 . 2]" 1
419 1 22 HIS H 1 23 ALA MB . . 4.600 4.447 4.263 4.654 0.054 6 0 "[ . 1 . 2]" 1
420 1 23 ALA MB 1 26 CYS H . . 4.380 4.390 4.289 4.458 0.078 11 0 "[ . 1 . 2]" 1
421 1 67 ALA MB 1 81 VAL MG1 . . 3.550 3.563 3.264 3.653 0.103 4 0 "[ . 1 . 2]" 1
422 1 81 VAL MG1 1 84 CYS HB2 . . 3.730 2.988 2.693 3.518 . 0 0 "[ . 1 . 2]" 1
423 1 81 VAL MG1 1 84 CYS HB3 . . 3.810 3.726 3.379 3.879 0.069 18 0 "[ . 1 . 2]" 1
424 1 81 VAL MG1 1 82 PRO HD3 . . 3.490 3.536 3.429 3.570 0.080 16 0 "[ . 1 . 2]" 1
425 1 81 VAL HA 1 81 VAL MG1 . . 3.450 2.380 2.248 2.478 . 0 0 "[ . 1 . 2]" 1
426 1 81 VAL MG1 1 83 PHE HB2 . . 3.740 2.581 2.313 2.882 . 0 0 "[ . 1 . 2]" 1
427 1 81 VAL MG1 1 82 PRO HD2 . . 3.490 2.283 2.142 2.415 . 0 0 "[ . 1 . 2]" 1
428 1 81 VAL MG1 1 83 PHE HA . . 4.870 4.278 3.964 4.406 . 0 0 "[ . 1 . 2]" 1
429 1 81 VAL MG1 1 83 PHE H . . 5.320 2.095 1.855 2.312 . 0 0 "[ . 1 . 2]" 1
430 1 81 VAL MG1 1 85 LEU H . . 4.880 4.500 4.188 4.822 . 0 0 "[ . 1 . 2]" 1
431 1 63 LEU QD 1 81 VAL MG1 . . 3.840 3.567 3.281 3.933 0.093 5 0 "[ . 1 . 2]" 1
432 1 63 LEU QD 1 67 ALA MB . . 3.820 2.844 2.407 3.208 . 0 0 "[ . 1 . 2]" 1
433 1 64 ILE MD 1 67 ALA MB . . 5.040 4.842 4.399 4.971 . 0 0 "[ . 1 . 2]" 1
434 1 67 ALA MB 1 84 CYS HB2 . . 4.560 4.010 3.319 4.545 . 0 0 "[ . 1 . 2]" 1
435 1 67 ALA MB 1 83 PHE HB3 . . 3.610 2.815 2.504 3.027 . 0 0 "[ . 1 . 2]" 1
436 1 64 ILE HA 1 67 ALA MB . . 2.990 2.165 2.029 2.280 . 0 0 "[ . 1 . 2]" 1
437 1 67 ALA MB 1 68 ALA HA . . 4.000 3.989 3.884 4.040 0.040 16 0 "[ . 1 . 2]" 1
438 1 67 ALA MB 1 83 PHE HA . . 4.920 4.740 4.439 4.991 0.071 16 0 "[ . 1 . 2]" 1
439 1 67 ALA MB 1 83 PHE H . . 5.230 4.890 4.675 5.082 . 0 0 "[ . 1 . 2]" 1
440 1 67 ALA H 1 67 ALA MB . . 3.090 2.215 2.144 2.292 . 0 0 "[ . 1 . 2]" 1
441 1 67 ALA MB 1 71 ALA H . . 5.150 4.375 4.045 4.661 . 0 0 "[ . 1 . 2]" 1
442 1 64 ILE H 1 67 ALA MB . . 4.440 4.278 4.156 4.440 . 0 0 "[ . 1 . 2]" 1
443 1 16 ALA MB 1 66 LEU MD1 . . 3.250 2.432 2.016 2.904 . 0 0 "[ . 1 . 2]" 1
444 1 16 ALA MB 1 66 LEU MD2 . . 3.250 2.574 2.015 3.344 0.094 2 0 "[ . 1 . 2]" 1
445 1 24 ALA MB 1 81 VAL MG1 . . 3.950 2.491 2.178 3.181 . 0 0 "[ . 1 . 2]" 1
446 1 24 ALA MB 1 43 VAL QG . . 3.130 2.357 2.116 2.729 . 0 0 "[ . 1 . 2]" 1
447 1 13 ILE MG 1 16 ALA MB . . 3.860 3.812 3.570 3.929 0.069 4 0 "[ . 1 . 2]" 1
448 1 65 ALA MB 1 66 LEU QB . . 4.080 3.838 3.417 4.152 0.072 4 0 "[ . 1 . 2]" 1
449 1 16 ALA MB 1 20 LEU HB2 . . 4.350 4.160 3.698 4.351 0.001 10 0 "[ . 1 . 2]" 1
450 1 24 ALA MB 1 82 PRO HD3 . . 4.310 4.356 3.975 4.392 0.082 8 0 "[ . 1 . 2]" 1
451 1 21 VAL HA 1 24 ALA MB . . 3.460 2.649 2.286 2.938 . 0 0 "[ . 1 . 2]" 1
452 1 24 ALA MB 1 25 GLN HG2 . . 4.110 3.532 2.978 3.885 . 0 0 "[ . 1 . 2]" 1
453 1 24 ALA MB 1 81 VAL MG2 . . 3.240 2.100 1.964 2.364 . 0 0 "[ . 1 . 2]" 1
454 1 65 ALA H 1 65 ALA MB . . 2.870 2.246 2.161 2.293 . 0 0 "[ . 1 . 2]" 1
455 1 15 ARG H 1 16 ALA MB . . 4.830 4.409 4.284 4.555 . 0 0 "[ . 1 . 2]" 1
456 1 17 ILE MG 1 70 HIS HA . . 4.130 3.003 2.507 3.459 . 0 0 "[ . 1 . 2]" 1
457 1 17 ILE MG 1 18 GLN HA . . 3.850 3.341 3.147 3.522 . 0 0 "[ . 1 . 2]" 1
458 1 14 GLN HA 1 17 ILE MG . . 4.320 4.016 3.672 4.317 . 0 0 "[ . 1 . 2]" 1
459 1 17 ILE HA 1 17 ILE MG . . 3.230 2.536 2.429 2.660 . 0 0 "[ . 1 . 2]" 1
460 1 17 ILE MG 1 70 HIS HB2 . . 4.060 2.135 1.995 2.350 . 0 0 "[ . 1 . 2]" 1
461 1 17 ILE MG 1 70 HIS HB3 . . 3.590 3.080 2.690 3.454 . 0 0 "[ . 1 . 2]" 1
462 1 17 ILE MG 1 18 GLN HG2 . . 4.690 3.996 3.180 4.639 . 0 0 "[ . 1 . 2]" 1
463 1 17 ILE MG 1 18 GLN HB2 . . 5.020 4.905 4.539 5.087 0.067 1 0 "[ . 1 . 2]" 1
464 1 17 ILE MD 1 17 ILE MG . . 2.730 2.076 2.043 2.104 . 0 0 "[ . 1 . 2]" 1
465 1 17 ILE QG 1 17 ILE MG . . 3.080 2.192 2.127 2.305 . 0 0 "[ . 1 . 2]" 1
466 1 59 ILE MG 1 63 LEU QB . . 3.910 3.209 3.001 3.643 . 0 0 "[ . 1 . 2]" 1
467 1 46 THR MG 1 59 ILE MG . . 4.030 2.425 2.104 3.301 . 0 0 "[ . 1 . 2]" 1
468 1 45 HIS HB2 1 59 ILE MG . . 4.800 4.591 3.804 4.868 0.068 15 0 "[ . 1 . 2]" 1
469 1 59 ILE HA 1 59 ILE MG . . 3.060 2.434 2.345 2.529 . 0 0 "[ . 1 . 2]" 1
470 1 45 HIS HB3 1 59 ILE MG . . 4.190 3.496 2.814 3.854 . 0 0 "[ . 1 . 2]" 1
471 1 59 ILE H 1 59 ILE MG . . 3.900 3.790 3.728 3.858 . 0 0 "[ . 1 . 2]" 1
472 1 59 ILE MG 1 60 CYS H . . 3.870 3.574 3.118 3.910 0.040 17 0 "[ . 1 . 2]" 1
473 1 64 ILE MG 1 68 ALA MB . . 3.460 3.394 3.174 3.560 0.100 16 0 "[ . 1 . 2]" 1
474 1 87 ILE MG 1 88 LYS QD . . 3.360 3.339 2.815 3.457 0.097 11 0 "[ . 1 . 2]" 1
475 1 68 ALA MB 1 87 ILE MG . . 3.310 2.650 2.213 3.372 0.062 19 0 "[ . 1 . 2]" 1
476 1 68 ALA HA 1 87 ILE MG . . 3.220 2.266 2.088 2.767 . 0 0 "[ . 1 . 2]" 1
477 1 87 ILE MG 1 88 LYS HA . . 3.540 3.291 2.973 3.616 0.076 10 0 "[ . 1 . 2]" 1
478 1 72 LYS H 1 87 ILE MG . . 5.500 5.318 4.616 5.576 0.076 3 0 "[ . 1 . 2]" 1
479 1 87 ILE MG 1 89 GLN H . . 5.000 4.938 4.733 5.084 0.084 14 0 "[ . 1 . 2]" 1
480 1 87 ILE H 1 87 ILE MG . . 3.890 3.710 3.625 3.813 . 0 0 "[ . 1 . 2]" 1
481 1 87 ILE MG 1 88 LYS H . . 3.910 3.135 2.633 3.463 . 0 0 "[ . 1 . 2]" 1
482 1 68 ALA H 1 87 ILE MG . . 4.680 4.205 3.844 4.673 . 0 0 "[ . 1 . 2]" 1
483 1 86 ASN QB 1 87 ILE MG . . 5.280 5.333 5.138 5.379 0.099 13 0 "[ . 1 . 2]" 1
484 1 104 ILE HG12 1 104 ILE MG . . 3.480 2.404 2.110 3.177 . 0 0 "[ . 1 . 2]" 1
485 1 104 ILE HG13 1 104 ILE MG . . 3.480 3.002 2.274 3.266 . 0 0 "[ . 1 . 2]" 1
486 1 104 ILE MG 1 105 GLU QG . . 4.380 2.731 2.139 3.901 . 0 0 "[ . 1 . 2]" 1
487 1 104 ILE HA 1 104 ILE MG . . 3.280 2.787 2.280 3.287 0.007 6 0 "[ . 1 . 2]" 1
488 1 104 ILE MG 1 105 GLU HA . . 4.570 3.901 3.431 4.656 0.086 7 0 "[ . 1 . 2]" 1
489 1 64 ILE MG 1 67 ALA MB . . 3.920 3.777 3.559 3.947 0.027 17 0 "[ . 1 . 2]" 1
490 1 64 ILE HA 1 64 ILE MG . . 3.320 2.654 2.582 2.740 . 0 0 "[ . 1 . 2]" 1
491 1 64 ILE MG 1 65 ALA HA . . 3.780 3.440 3.294 3.560 . 0 0 "[ . 1 . 2]" 1
492 1 64 ILE MG 1 65 ALA H . . 3.540 3.411 3.226 3.533 . 0 0 "[ . 1 . 2]" 1
493 1 64 ILE MG 1 83 PHE QD . . 4.710 4.499 4.293 4.651 . 0 0 "[ . 1 . 2]" 1
494 1 64 ILE MG 1 66 LEU H . . 5.180 5.193 5.029 5.250 0.070 1 0 "[ . 1 . 2]" 1
495 1 64 ILE MG 1 68 ALA H . . 4.370 4.147 3.906 4.356 . 0 0 "[ . 1 . 2]" 1
496 1 64 ILE MG 1 67 ALA H . . 4.960 4.964 4.769 5.036 0.076 3 0 "[ . 1 . 2]" 1
497 1 64 ILE MG 1 90 LYS QE . . 5.140 3.766 1.966 4.877 . 0 0 "[ . 1 . 2]" 1
498 1 13 ILE MG 1 17 ILE MD . . 3.050 1.898 1.813 1.985 . 0 0 "[ . 1 . 2]" 1
499 1 13 ILE MG 1 17 ILE MG . . 4.490 4.429 4.306 4.562 0.072 16 0 "[ . 1 . 2]" 1
500 1 13 ILE MG 1 17 ILE QG . . 3.950 2.862 2.726 3.028 . 0 0 "[ . 1 . 2]" 1
501 1 13 ILE HG12 1 13 ILE MG . . 3.350 2.346 2.243 2.447 . 0 0 "[ . 1 . 2]" 1
502 1 13 ILE MG 1 17 ILE HB . . 4.250 4.164 3.954 4.289 0.039 16 0 "[ . 1 . 2]" 1
503 1 13 ILE MG 1 14 GLN QB . . 4.750 4.555 4.353 4.819 0.069 9 0 "[ . 1 . 2]" 1
504 1 13 ILE MG 1 14 GLN HG2 . . 4.600 4.177 2.983 4.619 0.019 1 0 "[ . 1 . 2]" 1
505 1 10 ARG QD 1 13 ILE MG . . 4.930 4.436 3.667 5.006 0.076 1 0 "[ . 1 . 2]" 1
506 1 13 ILE MG 1 66 LEU HA . . 4.510 4.305 3.559 4.592 0.082 9 0 "[ . 1 . 2]" 1
507 1 13 ILE MG 1 14 GLN HA . . 3.750 3.400 3.258 3.611 . 0 0 "[ . 1 . 2]" 1
508 1 20 LEU HB3 1 39 MET ME . . 3.700 3.637 3.375 3.776 0.076 18 0 "[ . 1 . 2]" 1
509 1 16 ALA MB 1 39 MET ME . . 3.320 2.930 2.525 3.390 0.070 2 0 "[ . 1 . 2]" 1
510 1 20 LEU HG 1 39 MET ME . . 3.650 2.689 2.120 3.737 0.087 6 0 "[ . 1 . 2]" 1
511 1 38 LYS QG 1 39 MET ME . . 4.340 4.213 3.971 4.428 0.088 17 0 "[ . 1 . 2]" 1
512 1 20 LEU MD2 1 39 MET ME . . 3.720 3.760 3.230 3.844 0.124 3 0 "[ . 1 . 2]" 1
513 1 20 LEU MD1 1 39 MET ME . . 3.720 2.427 2.006 3.273 . 0 0 "[ . 1 . 2]" 1
514 1 20 LEU HB2 1 39 MET ME . . 3.150 2.188 1.964 2.455 . 0 0 "[ . 1 . 2]" 1
515 1 39 MET ME 1 39 MET HG3 . . 3.340 2.273 2.201 2.436 . 0 0 "[ . 1 . 2]" 1
516 1 39 MET ME 1 39 MET HG2 . . 3.260 2.732 2.611 2.879 . 0 0 "[ . 1 . 2]" 1
517 1 38 LYS QE 1 39 MET ME . . 5.500 4.758 3.579 5.586 0.086 5 0 "[ . 1 . 2]" 1
518 1 39 MET ME 1 128 PHE HB3 . . 5.500 5.398 4.843 5.573 0.073 7 0 "[ . 1 . 2]" 1
519 1 17 ILE HA 1 39 MET ME . . 4.600 4.411 4.102 4.672 0.072 9 0 "[ . 1 . 2]" 1
520 1 20 LEU HA 1 39 MET ME . . 3.390 2.777 2.188 3.167 . 0 0 "[ . 1 . 2]" 1
521 1 16 ALA HA 1 39 MET ME . . 3.670 3.037 2.606 3.521 . 0 0 "[ . 1 . 2]" 1
522 1 19 SER HA 1 39 MET ME . . 4.860 4.821 4.573 4.931 0.071 1 0 "[ . 1 . 2]" 1
523 1 39 MET HA 1 39 MET ME . . 4.640 4.176 4.061 4.231 . 0 0 "[ . 1 . 2]" 1
524 1 39 MET ME 1 128 PHE HA . . 4.970 3.982 3.395 4.404 . 0 0 "[ . 1 . 2]" 1
525 1 21 VAL H 1 39 MET ME . . 4.970 4.838 4.603 5.009 0.039 12 0 "[ . 1 . 2]" 1
526 1 20 LEU H 1 39 MET ME . . 3.490 2.815 2.670 2.993 . 0 0 "[ . 1 . 2]" 1
527 1 16 ALA MB 1 17 ILE MD . . 4.400 4.158 4.006 4.292 . 0 0 "[ . 1 . 2]" 1
528 1 17 ILE HB 1 17 ILE MD . . 3.270 2.272 2.217 2.323 . 0 0 "[ . 1 . 2]" 1
529 1 14 GLN HG3 1 17 ILE MD . . 4.970 3.891 3.357 4.769 . 0 0 "[ . 1 . 2]" 1
530 1 17 ILE MD 1 70 HIS HB2 . . 4.770 4.495 4.122 4.819 0.049 6 0 "[ . 1 . 2]" 1
531 1 17 ILE HA 1 17 ILE MD . . 4.090 3.879 3.816 3.938 . 0 0 "[ . 1 . 2]" 1
532 1 14 GLN HA 1 17 ILE MD . . 3.500 2.303 2.101 2.622 . 0 0 "[ . 1 . 2]" 1
533 1 17 ILE MD 1 66 LEU HA . . 4.240 3.915 3.176 4.307 0.067 9 0 "[ . 1 . 2]" 1
534 1 17 ILE MD 1 70 HIS HA . . 4.740 4.420 4.181 4.706 . 0 0 "[ . 1 . 2]" 1
535 1 17 ILE MD 1 69 TYR H . . 4.690 4.170 3.668 4.575 . 0 0 "[ . 1 . 2]" 1
536 1 17 ILE MD 1 18 GLN H . . 4.350 4.316 4.110 4.417 0.067 20 0 "[ . 1 . 2]" 1
537 1 14 GLN H 1 17 ILE MD . . 3.900 3.781 3.497 3.972 0.072 3 0 "[ . 1 . 2]" 1
538 1 64 ILE MD 1 87 ILE MD . . 4.370 3.955 3.576 4.273 . 0 0 "[ . 1 . 2]" 1
539 1 64 ILE QG 1 87 ILE MD . . 3.040 2.574 2.221 2.926 . 0 0 "[ . 1 . 2]" 1
540 1 68 ALA MB 1 87 ILE MD . . 3.080 2.706 2.204 3.173 0.093 19 0 "[ . 1 . 2]" 1
541 1 71 ALA MB 1 87 ILE MD . . 3.390 3.155 2.489 3.472 0.082 10 0 "[ . 1 . 2]" 1
542 1 67 ALA MB 1 87 ILE MD . . 3.020 2.012 1.922 2.072 . 0 0 "[ . 1 . 2]" 1
543 1 86 ASN QB 1 87 ILE MD . . 4.560 4.023 2.517 4.499 . 0 0 "[ . 1 . 2]" 1
544 1 87 ILE MD 1 90 LYS QE . . 5.140 4.568 2.841 5.243 0.103 20 0 "[ . 1 . 2]" 1
545 1 83 PHE HB3 1 87 ILE MD . . 3.640 3.103 2.741 3.413 . 0 0 "[ . 1 . 2]" 1
546 1 64 ILE HA 1 87 ILE MD . . 3.530 2.223 2.068 2.517 . 0 0 "[ . 1 . 2]" 1
547 1 84 CYS HA 1 87 ILE MD . . 3.700 2.732 2.412 3.306 . 0 0 "[ . 1 . 2]" 1
548 1 68 ALA HA 1 87 ILE MD . . 3.130 2.535 2.176 3.033 . 0 0 "[ . 1 . 2]" 1
549 1 84 CYS H 1 87 ILE MD . . 4.640 4.387 4.247 4.636 . 0 0 "[ . 1 . 2]" 1
550 1 87 ILE H 1 87 ILE MD . . 3.930 3.063 2.047 3.307 . 0 0 "[ . 1 . 2]" 1
551 1 64 ILE H 1 87 ILE MD . . 5.170 4.683 4.540 4.909 . 0 0 "[ . 1 . 2]" 1
552 1 87 ILE MD 1 88 LYS H . . 5.380 4.469 4.151 4.656 . 0 0 "[ . 1 . 2]" 1
553 1 68 ALA H 1 87 ILE MD . . 3.860 2.766 2.538 3.098 . 0 0 "[ . 1 . 2]" 1
554 1 71 ALA H 1 87 ILE MD . . 5.090 4.384 3.935 4.836 . 0 0 "[ . 1 . 2]" 1
555 1 64 ILE MD 1 64 ILE MG . . 2.910 2.233 2.109 2.989 0.079 11 0 "[ . 1 . 2]" 1
556 1 64 ILE HB 1 64 ILE MD . . 3.470 2.347 2.176 2.471 . 0 0 "[ . 1 . 2]" 1
557 1 64 ILE MD 1 90 LYS QD . . 5.500 4.457 3.354 5.584 0.084 18 0 "[ . 1 . 2]" 1
558 1 63 LEU HG 1 64 ILE MD . . 5.110 4.942 3.793 5.180 0.070 5 0 "[ . 1 . 2]" 1
559 1 64 ILE MD 1 90 LYS QE . . 4.630 3.657 2.126 4.507 . 0 0 "[ . 1 . 2]" 1
560 1 64 ILE HA 1 64 ILE MD . . 3.770 3.747 3.252 3.806 0.036 18 0 "[ . 1 . 2]" 1
561 1 61 LYS HA 1 64 ILE MD . . 3.860 2.925 2.488 3.532 . 0 0 "[ . 1 . 2]" 1
562 1 64 ILE MD 1 83 PHE HA . . 4.880 4.831 4.578 4.955 0.075 9 0 "[ . 1 . 2]" 1
563 1 83 PHE H 1 87 ILE MD . . 5.500 5.535 5.380 5.583 0.083 10 0 "[ . 1 . 2]" 1
564 1 10 ARG HG2 1 13 ILE MD . . 5.450 4.208 3.509 5.036 . 0 0 "[ . 1 . 2]" 1
565 1 13 ILE HB 1 13 ILE MD . . 3.290 2.330 2.244 2.425 . 0 0 "[ . 1 . 2]" 1
566 1 9 ARG QB 1 13 ILE MD . . 3.760 2.887 2.439 3.833 0.073 13 0 "[ . 1 . 2]" 1
567 1 9 ARG QD 1 13 ILE MD . . 4.710 4.284 3.482 4.803 0.093 17 0 "[ . 1 . 2]" 1
568 1 10 ARG QD 1 13 ILE MD . . 4.380 3.167 2.747 3.692 . 0 0 "[ . 1 . 2]" 1
569 1 10 ARG HA 1 13 ILE MD . . 3.720 2.560 2.152 3.143 . 0 0 "[ . 1 . 2]" 1
570 1 9 ARG HA 1 13 ILE MD . . 5.180 4.110 3.787 4.542 . 0 0 "[ . 1 . 2]" 1
571 1 13 ILE H 1 13 ILE MD . . 3.770 3.343 3.161 3.572 . 0 0 "[ . 1 . 2]" 1
572 1 59 ILE MD 1 59 ILE MG . . 2.880 2.081 2.044 2.128 . 0 0 "[ . 1 . 2]" 1
573 1 59 ILE HB 1 59 ILE MD . . 3.270 2.508 2.353 2.609 . 0 0 "[ . 1 . 2]" 1
574 1 59 ILE MD 1 127 TYR HB2 . . 4.950 3.764 2.532 5.010 0.060 12 0 "[ . 1 . 2]" 1
575 1 59 ILE HA 1 59 ILE MD . . 4.050 3.840 3.709 3.943 . 0 0 "[ . 1 . 2]" 1
576 1 58 PRO QD 1 59 ILE MD . . 4.650 4.397 4.064 4.723 0.073 9 0 "[ . 1 . 2]" 1
577 1 59 ILE H 1 59 ILE MD . . 3.980 3.590 3.340 3.754 . 0 0 "[ . 1 . 2]" 1
578 1 45 HIS HE1 1 59 ILE MD . . 4.610 3.874 2.971 4.677 0.067 8 0 "[ . 1 . 2]" 1
579 1 59 ILE MD 1 60 CYS H . . 4.880 4.736 4.524 4.930 0.050 6 0 "[ . 1 . 2]" 1
580 1 81 VAL MG2 1 84 CYS HB2 . . 4.320 3.761 3.502 3.977 . 0 0 "[ . 1 . 2]" 1
581 1 113 THR H 1 114 PHE H . . 4.540 3.049 2.660 3.282 . 0 0 "[ . 1 . 2]" 1
582 1 113 THR MG 1 114 PHE H . . 4.660 3.430 2.067 4.152 . 0 0 "[ . 1 . 2]" 1
583 1 114 PHE H 1 114 PHE QB . . 3.650 2.275 2.160 2.409 . 0 0 "[ . 1 . 2]" 1
584 1 3 GLN H 1 3 GLN QG . . 4.810 3.010 2.002 4.344 . 0 0 "[ . 1 . 2]" 1
585 1 2 THR MG 1 3 GLN H . . 4.780 3.433 2.116 4.497 . 0 0 "[ . 1 . 2]" 1
586 1 3 GLN HA 1 4 SER H . . 3.190 2.394 2.142 2.929 . 0 0 "[ . 1 . 2]" 1
587 1 7 ASP H 1 8 SER H . . 4.190 3.481 2.126 4.246 0.056 2 0 "[ . 1 . 2]" 1
588 1 6 GLY QA 1 7 ASP H . . 3.200 2.426 2.163 2.959 . 0 0 "[ . 1 . 2]" 1
589 1 7 ASP H 1 7 ASP QB . . 3.090 2.755 2.120 3.158 0.068 7 0 "[ . 1 . 2]" 1
590 1 8 SER H 1 8 SER QB . . 3.710 2.478 2.134 2.807 . 0 0 "[ . 1 . 2]" 1
591 1 7 ASP QB 1 8 SER H . . 3.970 3.866 3.463 4.041 0.071 5 0 "[ . 1 . 2]" 1
592 1 8 SER QB 1 9 ARG H . . 3.950 2.781 2.267 3.434 . 0 0 "[ . 1 . 2]" 1
593 1 9 ARG H 1 9 ARG QB . . 3.180 2.469 2.057 2.787 . 0 0 "[ . 1 . 2]" 1
594 1 9 ARG H 1 9 ARG HG2 . . 4.400 2.811 2.138 4.465 0.065 13 0 "[ . 1 . 2]" 1
595 1 9 ARG H 1 9 ARG HG3 . . 4.400 3.264 2.184 4.019 . 0 0 "[ . 1 . 2]" 1
596 1 9 ARG H 1 10 ARG H . . 3.640 2.828 2.641 2.965 . 0 0 "[ . 1 . 2]" 1
597 1 10 ARG H 1 11 LEU H . . 3.270 2.772 2.463 2.967 . 0 0 "[ . 1 . 2]" 1
598 1 10 ARG H 1 10 ARG QD . . 4.560 3.748 3.164 4.236 . 0 0 "[ . 1 . 2]" 1
599 1 7 ASP QB 1 10 ARG H . . 4.890 3.084 2.282 3.913 . 0 0 "[ . 1 . 2]" 1
600 1 10 ARG H 1 10 ARG HG2 . . 3.530 2.321 2.017 2.706 . 0 0 "[ . 1 . 2]" 1
601 1 10 ARG H 1 10 ARG HG3 . . 3.870 3.535 3.113 3.762 . 0 0 "[ . 1 . 2]" 1
602 1 10 ARG H 1 11 LEU QD . . 5.030 4.274 3.576 4.955 . 0 0 "[ . 1 . 2]" 1
603 1 10 ARG QB 1 11 LEU H . . 3.360 2.547 2.307 2.716 . 0 0 "[ . 1 . 2]" 1
604 1 11 LEU H 1 11 LEU QB . . 3.130 2.336 2.186 2.560 . 0 0 "[ . 1 . 2]" 1
605 1 11 LEU H 1 11 LEU HG . . 3.820 3.312 2.048 3.886 0.066 18 0 "[ . 1 . 2]" 1
606 1 10 ARG QD 1 11 LEU H . . 5.250 5.065 4.811 5.254 0.004 9 0 "[ . 1 . 2]" 1
607 1 7 ASP QB 1 11 LEU H . . 5.210 4.187 3.374 4.906 . 0 0 "[ . 1 . 2]" 1
608 1 12 SER H 1 12 SER HB2 . . 3.710 2.565 2.208 3.557 . 0 0 "[ . 1 . 2]" 1
609 1 12 SER H 1 12 SER HB3 . . 3.710 3.102 2.319 3.609 . 0 0 "[ . 1 . 2]" 1
610 1 10 ARG QB 1 12 SER H . . 4.850 4.813 4.580 4.914 0.064 17 0 "[ . 1 . 2]" 1
611 1 11 LEU QB 1 12 SER H . . 3.540 2.585 2.391 2.863 . 0 0 "[ . 1 . 2]" 1
612 1 11 LEU QD 1 12 SER H . . 4.170 4.000 3.808 4.247 0.077 4 0 "[ . 1 . 2]" 1
613 1 12 SER HB2 1 13 ILE H . . 3.950 3.075 2.303 3.869 . 0 0 "[ . 1 . 2]" 1
614 1 12 SER HB3 1 13 ILE H . . 3.950 3.183 2.325 4.010 0.060 16 0 "[ . 1 . 2]" 1
615 1 13 ILE H 1 14 GLN QB . . 4.920 4.785 4.620 4.913 . 0 0 "[ . 1 . 2]" 1
616 1 9 ARG QB 1 13 ILE H . . 5.500 4.584 4.252 5.186 . 0 0 "[ . 1 . 2]" 1
617 1 10 ARG QB 1 13 ILE H . . 5.500 5.126 4.999 5.330 . 0 0 "[ . 1 . 2]" 1
618 1 13 ILE H 1 13 ILE HB . . 3.090 2.417 2.231 2.537 . 0 0 "[ . 1 . 2]" 1
619 1 13 ILE H 1 13 ILE HG12 . . 3.560 3.580 3.478 3.621 0.061 14 0 "[ . 1 . 2]" 1
620 1 13 ILE H 1 13 ILE HG13 . . 3.720 2.192 2.092 2.283 . 0 0 "[ . 1 . 2]" 1
621 1 13 ILE H 1 13 ILE MG . . 4.050 3.749 3.662 3.798 . 0 0 "[ . 1 . 2]" 1
622 1 11 LEU HA 1 14 GLN H . . 3.900 3.527 3.219 3.831 . 0 0 "[ . 1 . 2]" 1
623 1 14 GLN H 1 14 GLN HG2 . . 3.670 3.595 2.364 3.734 0.064 20 0 "[ . 1 . 2]" 1
624 1 14 GLN H 1 14 GLN QB . . 2.950 2.378 2.281 2.479 . 0 0 "[ . 1 . 2]" 1
625 1 14 GLN H 1 15 ARG HB2 . . 4.970 4.981 4.774 5.024 0.054 12 0 "[ . 1 . 2]" 1
626 1 10 ARG QB 1 14 GLN H . . 4.780 4.706 4.430 4.849 0.069 6 0 "[ . 1 . 2]" 1
627 1 13 ILE HB 1 14 GLN H . . 3.250 2.574 2.341 2.755 . 0 0 "[ . 1 . 2]" 1
628 1 13 ILE HG12 1 14 GLN H . . 5.490 5.092 5.003 5.193 . 0 0 "[ . 1 . 2]" 1
629 1 14 GLN H 1 16 ALA MB . . 5.500 4.895 4.739 5.040 . 0 0 "[ . 1 . 2]" 1
630 1 14 GLN H 1 17 ILE QG . . 5.210 5.142 5.019 5.264 0.054 3 0 "[ . 1 . 2]" 1
631 1 13 ILE HG13 1 14 GLN H . . 4.400 4.448 4.374 4.463 0.063 15 0 "[ . 1 . 2]" 1
632 1 13 ILE MG 1 14 GLN H . . 3.410 3.192 2.956 3.467 0.057 9 0 "[ . 1 . 2]" 1
633 1 15 ARG H 1 17 ILE H . . 4.490 4.395 4.220 4.529 0.039 3 0 "[ . 1 . 2]" 1
634 1 12 SER HA 1 15 ARG H . . 4.020 3.578 3.373 3.850 . 0 0 "[ . 1 . 2]" 1
635 1 15 ARG H 1 15 ARG QD . . 4.400 3.944 3.445 4.453 0.053 12 0 "[ . 1 . 2]" 1
636 1 15 ARG H 1 15 ARG HB2 . . 2.890 2.425 2.342 2.521 . 0 0 "[ . 1 . 2]" 1
637 1 15 ARG H 1 15 ARG HB3 . . 3.790 3.607 3.553 3.632 . 0 0 "[ . 1 . 2]" 1
638 1 15 ARG H 1 15 ARG QG . . 3.770 2.406 2.162 2.654 . 0 0 "[ . 1 . 2]" 1
639 1 11 LEU QD 1 15 ARG H . . 5.500 5.242 4.418 5.590 0.090 18 0 "[ . 1 . 2]" 1
640 1 13 ILE MG 1 15 ARG H . . 5.290 5.140 4.933 5.276 . 0 0 "[ . 1 . 2]" 1
641 1 15 ARG H 1 16 ALA H . . 3.110 2.765 2.666 2.888 . 0 0 "[ . 1 . 2]" 1
642 1 12 SER HA 1 16 ALA H . . 4.620 4.015 3.794 4.220 . 0 0 "[ . 1 . 2]" 1
643 1 14 GLN HA 1 16 ALA H . . 4.960 4.565 4.330 4.729 . 0 0 "[ . 1 . 2]" 1
644 1 15 ARG QD 1 16 ALA H . . 5.110 4.978 4.578 5.176 0.066 12 0 "[ . 1 . 2]" 1
645 1 14 GLN QB 1 16 ALA H . . 5.050 4.773 4.647 4.904 . 0 0 "[ . 1 . 2]" 1
646 1 16 ALA H 1 17 ILE HB . . 5.100 4.861 4.622 5.045 . 0 0 "[ . 1 . 2]" 1
647 1 15 ARG HB2 1 16 ALA H . . 3.280 2.589 2.409 2.949 . 0 0 "[ . 1 . 2]" 1
648 1 15 ARG HB3 1 16 ALA H . . 4.220 3.484 3.348 3.740 . 0 0 "[ . 1 . 2]" 1
649 1 15 ARG QG 1 16 ALA H . . 4.400 4.185 3.971 4.307 . 0 0 "[ . 1 . 2]" 1
650 1 16 ALA H 1 16 ALA MB . . 2.840 2.232 2.194 2.277 . 0 0 "[ . 1 . 2]" 1
651 1 13 ILE MG 1 16 ALA H . . 4.910 4.936 4.797 4.992 0.082 15 0 "[ . 1 . 2]" 1
652 1 17 ILE H 1 18 GLN H . . 3.150 2.918 2.720 3.055 . 0 0 "[ . 1 . 2]" 1
653 1 16 ALA H 1 17 ILE H . . 3.210 2.845 2.739 2.926 . 0 0 "[ . 1 . 2]" 1
654 1 14 GLN HA 1 17 ILE H . . 3.880 3.599 3.409 3.793 . 0 0 "[ . 1 . 2]" 1
655 1 17 ILE H 1 18 GLN HB2 . . 5.100 4.924 4.686 5.151 0.051 12 0 "[ . 1 . 2]" 1
656 1 17 ILE H 1 17 ILE HB . . 2.980 2.453 2.345 2.586 . 0 0 "[ . 1 . 2]" 1
657 1 16 ALA MB 1 17 ILE H . . 3.190 2.387 2.292 2.541 . 0 0 "[ . 1 . 2]" 1
658 1 17 ILE H 1 17 ILE QG . . 3.440 2.199 2.105 2.322 . 0 0 "[ . 1 . 2]" 1
659 1 17 ILE H 1 17 ILE MG . . 3.860 3.786 3.751 3.818 . 0 0 "[ . 1 . 2]" 1
660 1 17 ILE H 1 17 ILE MD . . 3.720 3.198 3.071 3.287 . 0 0 "[ . 1 . 2]" 1
661 1 17 ILE H 1 66 LEU MD1 . . 4.210 3.459 2.953 4.279 0.069 18 0 "[ . 1 . 2]" 1
662 1 17 ILE H 1 66 LEU MD2 . . 4.210 3.415 2.968 3.898 . 0 0 "[ . 1 . 2]" 1
663 1 13 ILE MG 1 17 ILE H . . 4.440 4.003 3.904 4.097 . 0 0 "[ . 1 . 2]" 1
664 1 18 GLN H 1 18 GLN HG2 . . 3.690 3.377 2.433 3.735 0.045 19 0 "[ . 1 . 2]" 1
665 1 18 GLN H 1 18 GLN HB2 . . 3.070 2.359 2.213 2.501 . 0 0 "[ . 1 . 2]" 1
666 1 18 GLN H 1 18 GLN HB3 . . 3.630 3.559 3.505 3.608 . 0 0 "[ . 1 . 2]" 1
667 1 17 ILE HB 1 18 GLN H . . 3.260 2.504 2.378 2.592 . 0 0 "[ . 1 . 2]" 1
668 1 16 ALA MB 1 18 GLN H . . 4.890 4.652 4.554 4.768 . 0 0 "[ . 1 . 2]" 1
669 1 17 ILE QG 1 18 GLN H . . 4.640 4.185 4.122 4.272 . 0 0 "[ . 1 . 2]" 1
670 1 17 ILE MG 1 18 GLN H . . 3.770 3.211 3.012 3.358 . 0 0 "[ . 1 . 2]" 1
671 1 18 GLN H 1 21 VAL QG . . 4.840 4.117 4.018 4.280 . 0 0 "[ . 1 . 2]" 1
672 1 19 SER H 1 21 VAL H . . 4.580 4.533 4.290 4.631 0.051 20 0 "[ . 1 . 2]" 1
673 1 126 THR H 1 126 THR HB . . 3.000 2.348 2.047 2.575 . 0 0 "[ . 1 . 2]" 1
674 1 17 ILE HA 1 19 SER H . . 4.670 4.558 4.312 4.717 0.047 4 0 "[ . 1 . 2]" 1
675 1 18 GLN HB2 1 19 SER H . . 3.400 2.723 2.375 3.087 . 0 0 "[ . 1 . 2]" 1
676 1 19 SER H 1 39 MET ME . . 4.490 4.247 3.961 4.553 0.063 2 0 "[ . 1 . 2]" 1
677 1 16 ALA MB 1 19 SER H . . 4.980 4.714 4.463 4.914 . 0 0 "[ . 1 . 2]" 1
678 1 17 ILE MG 1 19 SER H . . 5.040 5.043 4.841 5.109 0.069 19 0 "[ . 1 . 2]" 1
679 1 19 SER H 1 21 VAL QG . . 4.750 4.336 4.146 4.472 . 0 0 "[ . 1 . 2]" 1
680 1 20 LEU H 1 21 VAL H . . 3.180 2.778 2.652 2.972 . 0 0 "[ . 1 . 2]" 1
681 1 17 ILE HA 1 20 LEU H . . 3.860 3.535 3.340 3.691 . 0 0 "[ . 1 . 2]" 1
682 1 20 LEU H 1 22 HIS QB . . 4.840 4.700 4.387 4.875 0.035 14 0 "[ . 1 . 2]" 1
683 1 20 LEU H 1 39 MET HG3 . . 4.560 3.883 3.493 4.312 . 0 0 "[ . 1 . 2]" 1
684 1 18 GLN HB2 1 20 LEU H . . 5.400 5.037 4.807 5.282 . 0 0 "[ . 1 . 2]" 1
685 1 20 LEU H 1 20 LEU HB2 . . 3.000 2.203 2.129 2.364 . 0 0 "[ . 1 . 2]" 1
686 1 20 LEU H 1 20 LEU HB3 . . 3.060 2.838 2.333 3.094 0.034 18 0 "[ . 1 . 2]" 1
687 1 16 ALA MB 1 20 LEU H . . 4.910 4.648 4.482 4.776 . 0 0 "[ . 1 . 2]" 1
688 1 20 LEU H 1 20 LEU HG . . 5.210 4.135 3.890 4.435 . 0 0 "[ . 1 . 2]" 1
689 1 17 ILE MG 1 20 LEU H . . 4.770 4.767 4.566 4.851 0.081 15 0 "[ . 1 . 2]" 1
690 1 20 LEU H 1 21 VAL QG . . 3.760 3.820 3.640 3.852 0.092 13 0 "[ . 1 . 2]" 1
691 1 18 GLN HA 1 21 VAL H . . 3.910 3.817 3.670 3.954 0.044 17 0 "[ . 1 . 2]" 1
692 1 17 ILE HA 1 21 VAL H . . 4.400 3.902 3.666 4.036 . 0 0 "[ . 1 . 2]" 1
693 1 20 LEU HB3 1 21 VAL H . . 3.740 2.408 2.184 2.610 . 0 0 "[ . 1 . 2]" 1
694 1 20 LEU HG 1 21 VAL H . . 5.060 4.786 3.924 5.049 . 0 0 "[ . 1 . 2]" 1
695 1 21 VAL H 1 24 ALA MB . . 4.890 4.716 4.511 4.886 . 0 0 "[ . 1 . 2]" 1
696 1 17 ILE MG 1 21 VAL H . . 4.240 3.946 3.694 4.090 . 0 0 "[ . 1 . 2]" 1
697 1 21 VAL H 1 21 VAL QG . . 2.830 2.095 1.914 2.305 . 0 0 "[ . 1 . 2]" 1
698 1 21 VAL H 1 81 VAL MG2 . . 4.950 4.816 4.362 5.036 0.086 17 0 "[ . 1 . 2]" 1
699 1 20 LEU H 1 22 HIS H . . 4.400 4.001 3.887 4.251 . 0 0 "[ . 1 . 2]" 1
700 1 21 VAL H 1 22 HIS H . . 3.140 2.776 2.569 2.872 . 0 0 "[ . 1 . 2]" 1
701 1 22 HIS H 1 23 ALA H . . 3.280 2.865 2.715 3.068 . 0 0 "[ . 1 . 2]" 1
702 1 19 SER HA 1 22 HIS H . . 3.760 3.732 3.548 3.815 0.055 19 0 "[ . 1 . 2]" 1
703 1 18 GLN HA 1 22 HIS H . . 4.200 3.945 3.730 4.157 . 0 0 "[ . 1 . 2]" 1
704 1 22 HIS H 1 22 HIS QB . . 2.710 2.214 2.126 2.286 . 0 0 "[ . 1 . 2]" 1
705 1 22 HIS H 1 24 ALA MB . . 4.730 4.767 4.647 4.811 0.081 6 0 "[ . 1 . 2]" 1
706 1 21 VAL QG 1 22 HIS H . . 3.230 2.264 2.025 2.534 . 0 0 "[ . 1 . 2]" 1
707 1 20 LEU HA 1 23 ALA H . . 4.090 3.626 3.378 3.957 . 0 0 "[ . 1 . 2]" 1
708 1 22 HIS QB 1 23 ALA H . . 3.320 2.509 2.414 2.619 . 0 0 "[ . 1 . 2]" 1
709 1 23 ALA H 1 26 CYS HB3 . . 5.240 4.895 4.492 5.266 0.026 19 0 "[ . 1 . 2]" 1
710 1 23 ALA H 1 39 MET HG3 . . 5.500 4.649 4.439 4.795 . 0 0 "[ . 1 . 2]" 1
711 1 23 ALA H 1 39 MET HB2 . . 4.890 4.400 4.116 4.640 . 0 0 "[ . 1 . 2]" 1
712 1 23 ALA H 1 39 MET HB3 . . 5.010 4.377 4.107 4.569 . 0 0 "[ . 1 . 2]" 1
713 1 23 ALA H 1 24 ALA MB . . 4.390 4.451 4.419 4.463 0.073 13 0 "[ . 1 . 2]" 1
714 1 21 VAL QG 1 23 ALA H . . 4.470 4.438 4.221 4.545 0.075 2 0 "[ . 1 . 2]" 1
715 1 23 ALA H 1 24 ALA H . . 3.260 2.829 2.776 2.893 . 0 0 "[ . 1 . 2]" 1
716 1 22 HIS H 1 24 ALA H . . 4.450 4.110 3.983 4.224 . 0 0 "[ . 1 . 2]" 1
717 1 24 ALA H 1 25 GLN H . . 3.120 2.729 2.634 2.849 . 0 0 "[ . 1 . 2]" 1
718 1 21 VAL HA 1 24 ALA H . . 3.720 3.499 3.157 3.772 0.052 1 0 "[ . 1 . 2]" 1
719 1 24 ALA H 1 25 GLN HG2 . . 4.800 4.142 3.780 4.848 0.048 2 0 "[ . 1 . 2]" 1
720 1 23 ALA MB 1 24 ALA H . . 3.180 2.783 2.671 2.931 . 0 0 "[ . 1 . 2]" 1
721 1 24 ALA H 1 24 ALA MB . . 2.680 2.198 2.165 2.246 . 0 0 "[ . 1 . 2]" 1
722 1 24 ALA H 1 43 VAL QG . . 3.880 3.364 2.729 3.946 0.066 17 0 "[ . 1 . 2]" 1
723 1 24 ALA H 1 81 VAL MG2 . . 4.510 4.193 3.979 4.568 0.058 19 0 "[ . 1 . 2]" 1
724 1 25 GLN H 1 26 CYS HA . . 4.650 4.474 4.328 4.643 . 0 0 "[ . 1 . 2]" 1
725 1 21 VAL HA 1 25 GLN H . . 5.220 4.936 4.502 5.257 0.037 1 0 "[ . 1 . 2]" 1
726 1 22 HIS QB 1 25 GLN H . . 5.500 5.204 5.124 5.383 . 0 0 "[ . 1 . 2]" 1
727 1 25 GLN H 1 25 GLN HG2 . . 3.260 2.261 1.903 2.850 . 0 0 "[ . 1 . 2]" 1
728 1 25 GLN H 1 26 CYS HB3 . . 4.360 4.274 3.830 4.422 0.062 18 0 "[ . 1 . 2]" 1
729 1 25 GLN H 1 25 GLN HG3 . . 3.550 2.797 2.332 2.958 . 0 0 "[ . 1 . 2]" 1
730 1 25 GLN H 1 25 GLN HB2 . . 3.960 3.771 3.662 3.866 . 0 0 "[ . 1 . 2]" 1
731 1 25 GLN H 1 25 GLN HB3 . . 3.960 3.159 3.028 3.448 . 0 0 "[ . 1 . 2]" 1
732 1 23 ALA MB 1 25 GLN H . . 4.610 4.501 4.406 4.662 0.052 20 0 "[ . 1 . 2]" 1
733 1 24 ALA MB 1 25 GLN H . . 3.280 2.932 2.640 3.042 . 0 0 "[ . 1 . 2]" 1
734 1 21 VAL QG 1 25 GLN H . . 5.190 4.879 4.418 5.295 0.105 12 0 "[ . 1 . 2]" 1
735 1 25 GLN H 1 81 VAL MG2 . . 5.270 4.176 3.538 4.859 . 0 0 "[ . 1 . 2]" 1
736 1 25 GLN H 1 26 CYS H . . 2.740 2.051 1.890 2.249 . 0 0 "[ . 1 . 2]" 1
737 1 24 ALA H 1 26 CYS H . . 4.190 3.932 3.862 4.089 . 0 0 "[ . 1 . 2]" 1
738 1 23 ALA H 1 26 CYS H . . 5.340 4.756 4.631 5.033 . 0 0 "[ . 1 . 2]" 1
739 1 26 CYS H 1 27 ARG H . . 4.650 4.221 3.882 4.364 . 0 0 "[ . 1 . 2]" 1
740 1 24 ALA HA 1 26 CYS H . . 4.330 4.347 4.171 4.404 0.074 20 0 "[ . 1 . 2]" 1
741 1 26 CYS H 1 26 CYS HB3 . . 3.000 2.440 2.204 2.665 . 0 0 "[ . 1 . 2]" 1
742 1 25 GLN HG3 1 26 CYS H . . 4.390 3.276 2.911 3.828 . 0 0 "[ . 1 . 2]" 1
743 1 26 CYS H 1 26 CYS HB2 . . 3.030 2.514 2.351 2.756 . 0 0 "[ . 1 . 2]" 1
744 1 26 CYS H 1 40 LYS HD2 . . 5.260 5.018 4.656 5.315 0.055 11 0 "[ . 1 . 2]" 1
745 1 24 ALA MB 1 26 CYS H . . 4.480 4.496 4.322 4.555 0.075 16 0 "[ . 1 . 2]" 1
746 1 26 CYS HA 1 27 ARG H . . 3.260 2.121 1.996 2.308 . 0 0 "[ . 1 . 2]" 1
747 1 27 ARG H 1 27 ARG QD . . 4.940 4.121 2.961 4.984 0.044 19 0 "[ . 1 . 2]" 1
748 1 26 CYS HB3 1 27 ARG H . . 5.170 4.441 4.302 4.582 . 0 0 "[ . 1 . 2]" 1
749 1 26 CYS HB2 1 27 ARG H . . 4.770 4.401 4.181 4.595 . 0 0 "[ . 1 . 2]" 1
750 1 27 ARG H 1 27 ARG QG . . 4.150 2.601 2.008 4.132 . 0 0 "[ . 1 . 2]" 1
751 1 27 ARG H 1 28 ASN H . . 3.290 2.097 1.854 2.398 . 0 0 "[ . 1 . 2]" 1
752 1 28 ASN H 1 29 ALA H . . 4.900 4.409 3.979 4.649 . 0 0 "[ . 1 . 2]" 1
753 1 27 ARG HA 1 28 ASN H . . 3.560 3.359 3.049 3.521 . 0 0 "[ . 1 . 2]" 1
754 1 26 CYS HA 1 28 ASN H . . 3.790 3.176 2.772 3.426 . 0 0 "[ . 1 . 2]" 1
755 1 28 ASN H 1 28 ASN HB2 . . 3.690 2.621 2.273 3.636 . 0 0 "[ . 1 . 2]" 1
756 1 28 ASN H 1 28 ASN HB3 . . 3.690 3.455 2.501 3.675 . 0 0 "[ . 1 . 2]" 1
757 1 26 CYS HB3 1 28 ASN H . . 5.500 5.055 4.482 5.488 . 0 0 "[ . 1 . 2]" 1
758 1 27 ARG QB 1 28 ASN H . . 4.300 3.594 3.023 4.051 . 0 0 "[ . 1 . 2]" 1
759 1 26 CYS HB2 1 28 ASN H . . 5.270 4.996 4.598 5.326 0.056 7 0 "[ . 1 . 2]" 1
760 1 27 ARG QG 1 28 ASN H . . 4.320 3.583 2.487 4.391 0.071 18 0 "[ . 1 . 2]" 1
761 1 28 ASN HA 1 29 ALA H . . 3.370 2.210 2.124 2.329 . 0 0 "[ . 1 . 2]" 1
762 1 28 ASN HB2 1 29 ALA H . . 4.940 4.202 3.399 4.560 . 0 0 "[ . 1 . 2]" 1
763 1 28 ASN HB3 1 29 ALA H . . 4.940 3.595 2.403 4.421 . 0 0 "[ . 1 . 2]" 1
764 1 29 ALA H 1 29 ALA MB . . 3.410 2.223 2.149 2.378 . 0 0 "[ . 1 . 2]" 1
765 1 29 ALA H 1 30 ASN H . . 3.700 2.591 1.985 2.978 . 0 0 "[ . 1 . 2]" 1
766 1 29 ALA HA 1 30 ASN H . . 3.550 3.441 3.187 3.559 0.009 3 0 "[ . 1 . 2]" 1
767 1 30 ASN H 1 30 ASN HB2 . . 3.250 2.525 2.323 2.749 . 0 0 "[ . 1 . 2]" 1
768 1 30 ASN H 1 30 ASN HB3 . . 3.250 2.480 2.328 2.768 . 0 0 "[ . 1 . 2]" 1
769 1 29 ALA MB 1 30 ASN H . . 3.220 2.956 2.460 3.297 0.077 16 0 "[ . 1 . 2]" 1
770 1 30 ASN H 1 31 CYS H . . 2.980 2.694 2.265 3.026 0.046 4 0 "[ . 1 . 2]" 1
771 1 30 ASN HA 1 31 CYS H . . 3.570 3.530 3.354 3.625 0.055 5 0 "[ . 1 . 2]" 1
772 1 31 CYS H 1 31 CYS QB . . 2.560 2.301 2.127 2.625 0.065 11 0 "[ . 1 . 2]" 1
773 1 30 ASN HB3 1 31 CYS H . . 4.070 2.873 2.360 3.424 . 0 0 "[ . 1 . 2]" 1
774 1 29 ALA MB 1 31 CYS H . . 5.010 4.678 4.291 5.068 0.058 5 0 "[ . 1 . 2]" 1
775 1 31 CYS H 1 32 SER H . . 4.760 4.521 4.095 4.662 . 0 0 "[ . 1 . 2]" 1
776 1 31 CYS HA 1 32 SER H . . 3.050 2.197 2.059 2.370 . 0 0 "[ . 1 . 2]" 1
777 1 32 SER H 1 32 SER HB3 . . 4.060 3.546 2.792 3.911 . 0 0 "[ . 1 . 2]" 1
778 1 32 SER H 1 32 SER HB2 . . 4.060 3.144 2.625 4.010 . 0 0 "[ . 1 . 2]" 1
779 1 31 CYS QB 1 32 SER H . . 4.340 3.529 2.305 4.073 . 0 0 "[ . 1 . 2]" 1
780 1 32 SER H 1 33 LEU H . . 4.090 3.750 3.412 3.944 . 0 0 "[ . 1 . 2]" 1
781 1 33 LEU H 1 34 PRO HD2 . . 5.050 4.809 4.717 4.909 . 0 0 "[ . 1 . 2]" 1
782 1 32 SER HB2 1 33 LEU H . . 4.790 4.393 3.768 4.755 . 0 0 "[ . 1 . 2]" 1
783 1 32 SER HB3 1 33 LEU H . . 4.790 4.180 3.854 4.496 . 0 0 "[ . 1 . 2]" 1
784 1 33 LEU H 1 34 PRO HD3 . . 5.050 4.826 4.618 4.962 . 0 0 "[ . 1 . 2]" 1
785 1 31 CYS QB 1 33 LEU H . . 5.420 4.974 4.258 5.349 . 0 0 "[ . 1 . 2]" 1
786 1 34 PRO HG2 1 35 SER H . . 4.770 2.232 1.908 2.423 . 0 0 "[ . 1 . 2]" 1
787 1 35 SER H 1 38 LYS QG . . 5.270 4.490 4.079 4.896 . 0 0 "[ . 1 . 2]" 1
788 1 36 CYS H 1 37 GLN H . . 3.160 2.852 2.548 3.127 . 0 0 "[ . 1 . 2]" 1
789 1 35 SER H 1 36 CYS H . . 3.930 2.729 2.545 3.084 . 0 0 "[ . 1 . 2]" 1
790 1 33 LEU H 1 36 CYS H . . 4.560 4.187 3.938 4.586 0.026 12 0 "[ . 1 . 2]" 1
791 1 35 SER HB2 1 36 CYS H . . 4.240 3.187 2.578 3.801 . 0 0 "[ . 1 . 2]" 1
792 1 35 SER HB3 1 36 CYS H . . 4.240 3.932 2.705 4.247 0.007 20 0 "[ . 1 . 2]" 1
793 1 34 PRO HG2 1 36 CYS H . . 4.850 4.823 4.562 4.903 0.053 16 0 "[ . 1 . 2]" 1
794 1 112 THR HA 1 113 THR H . . 3.430 3.011 2.510 3.321 . 0 0 "[ . 1 . 2]" 1
795 1 112 THR HB 1 113 THR H . . 4.440 4.459 4.270 4.504 0.064 11 0 "[ . 1 . 2]" 1
796 1 37 GLN H 1 37 GLN HG2 . . 3.670 2.481 2.142 3.715 0.045 10 0 "[ . 1 . 2]" 1
797 1 37 GLN H 1 37 GLN HG3 . . 3.670 3.321 2.330 3.721 0.051 18 0 "[ . 1 . 2]" 1
798 1 18 GLN HB3 1 19 SER H . . 3.900 3.553 3.343 3.857 . 0 0 "[ . 1 . 2]" 1
799 1 38 LYS H 1 39 MET H . . 3.210 2.731 2.536 2.837 . 0 0 "[ . 1 . 2]" 1
800 1 38 LYS H 1 40 LYS H . . 4.500 4.150 3.975 4.283 . 0 0 "[ . 1 . 2]" 1
801 1 36 CYS H 1 38 LYS H . . 4.490 4.376 4.160 4.540 0.050 3 0 "[ . 1 . 2]" 1
802 1 38 LYS H 1 39 MET HA . . 5.380 5.322 5.132 5.406 0.026 10 0 "[ . 1 . 2]" 1
803 1 35 SER HA 1 38 LYS H . . 3.900 3.629 3.373 3.815 . 0 0 "[ . 1 . 2]" 1
804 1 38 LYS H 1 38 LYS QE . . 5.360 4.861 4.517 5.386 0.026 6 0 "[ . 1 . 2]" 1
805 1 38 LYS H 1 39 MET HG2 . . 4.960 4.805 4.496 5.017 0.057 5 0 "[ . 1 . 2]" 1
806 1 37 GLN HG3 1 38 LYS H . . 4.750 3.788 2.403 4.823 0.073 3 0 "[ . 1 . 2]" 1
807 1 38 LYS H 1 39 MET HB2 . . 4.840 4.783 4.613 4.887 0.047 6 0 "[ . 1 . 2]" 1
808 1 38 LYS H 1 38 LYS QB . . 2.970 2.541 2.294 2.717 . 0 0 "[ . 1 . 2]" 1
809 1 38 LYS H 1 38 LYS HD3 . . 5.060 4.441 3.448 4.779 . 0 0 "[ . 1 . 2]" 1
810 1 38 LYS H 1 38 LYS HD2 . . 4.220 3.971 3.545 4.286 0.066 16 0 "[ . 1 . 2]" 1
811 1 38 LYS H 1 38 LYS QG . . 4.000 2.361 2.047 2.660 . 0 0 "[ . 1 . 2]" 1
812 1 39 MET H 1 40 LYS H . . 3.320 2.714 2.657 2.770 . 0 0 "[ . 1 . 2]" 1
813 1 39 MET H 1 41 ARG H . . 4.570 4.371 4.263 4.520 . 0 0 "[ . 1 . 2]" 1
814 1 39 MET H 1 40 LYS HA . . 5.190 5.252 5.232 5.261 0.071 10 0 "[ . 1 . 2]" 1
815 1 38 LYS QE 1 39 MET H . . 5.170 4.820 4.458 5.209 0.039 6 0 "[ . 1 . 2]" 1
816 1 39 MET H 1 39 MET HG2 . . 3.600 2.579 2.443 2.686 . 0 0 "[ . 1 . 2]" 1
817 1 39 MET H 1 39 MET HG3 . . 3.980 3.781 3.683 3.859 . 0 0 "[ . 1 . 2]" 1
818 1 39 MET H 1 39 MET HB2 . . 3.290 2.347 2.286 2.404 . 0 0 "[ . 1 . 2]" 1
819 1 39 MET H 1 39 MET HB3 . . 3.620 3.561 3.515 3.593 . 0 0 "[ . 1 . 2]" 1
820 1 38 LYS HD3 1 39 MET H . . 4.810 4.648 4.429 4.865 0.055 7 0 "[ . 1 . 2]" 1
821 1 23 ALA MB 1 39 MET H . . 3.950 3.878 3.656 4.016 0.066 8 0 "[ . 1 . 2]" 1
822 1 38 LYS QG 1 39 MET H . . 4.470 2.339 2.067 2.551 . 0 0 "[ . 1 . 2]" 1
823 1 37 GLN HA 1 40 LYS H . . 3.980 3.448 3.026 3.759 . 0 0 "[ . 1 . 2]" 1
824 1 39 MET HG2 1 40 LYS H . . 4.800 4.780 4.640 4.851 0.051 13 0 "[ . 1 . 2]" 1
825 1 39 MET HB2 1 40 LYS H . . 3.940 3.022 2.793 3.176 . 0 0 "[ . 1 . 2]" 1
826 1 40 LYS H 1 40 LYS HD3 . . 3.770 3.187 2.655 3.826 0.056 18 0 "[ . 1 . 2]" 1
827 1 40 LYS H 1 40 LYS QG . . 3.940 2.783 2.084 3.886 . 0 0 "[ . 1 . 2]" 1
828 1 40 LYS H 1 43 VAL QG . . 4.720 4.046 3.689 4.432 . 0 0 "[ . 1 . 2]" 1
829 1 40 LYS H 1 40 LYS HD2 . . 4.310 3.846 2.902 4.367 0.057 4 0 "[ . 1 . 2]" 1
830 1 41 ARG H 1 43 VAL H . . 4.490 4.285 3.952 4.540 0.050 13 0 "[ . 1 . 2]" 1
831 1 40 LYS H 1 41 ARG H . . 3.360 2.835 2.750 2.933 . 0 0 "[ . 1 . 2]" 1
832 1 39 MET HA 1 41 ARG H . . 4.550 3.928 3.678 4.134 . 0 0 "[ . 1 . 2]" 1
833 1 38 LYS HA 1 41 ARG H . . 3.980 3.658 3.369 3.854 . 0 0 "[ . 1 . 2]" 1
834 1 41 ARG H 1 41 ARG QD . . 4.260 3.594 2.534 4.297 0.037 19 0 "[ . 1 . 2]" 1
835 1 41 ARG H 1 41 ARG HB2 . . 3.000 2.560 2.236 2.714 . 0 0 "[ . 1 . 2]" 1
836 1 41 ARG H 1 41 ARG QG . . 3.710 2.293 2.063 3.638 . 0 0 "[ . 1 . 2]" 1
837 1 23 ALA MB 1 41 ARG H . . 4.970 5.005 4.808 5.058 0.088 19 0 "[ . 1 . 2]" 1
838 1 38 LYS QG 1 41 ARG H . . 5.430 5.269 5.052 5.484 0.054 19 0 "[ . 1 . 2]" 1
839 1 41 ARG H 1 43 VAL QG . . 4.670 4.125 3.821 4.422 . 0 0 "[ . 1 . 2]" 1
840 1 42 VAL H 1 43 VAL H . . 3.330 2.828 2.725 3.021 . 0 0 "[ . 1 . 2]" 1
841 1 40 LYS H 1 42 VAL H . . 4.690 4.579 4.254 4.741 0.051 9 0 "[ . 1 . 2]" 1
842 1 42 VAL H 1 43 VAL HA . . 5.420 5.354 5.264 5.468 0.048 15 0 "[ . 1 . 2]" 1
843 1 41 ARG QD 1 42 VAL H . . 5.280 4.721 4.220 5.124 . 0 0 "[ . 1 . 2]" 1
844 1 42 VAL H 1 42 VAL HB . . 3.590 2.991 2.472 3.643 0.053 18 0 "[ . 1 . 2]" 1
845 1 41 ARG HB2 1 42 VAL H . . 3.700 2.545 2.181 2.841 . 0 0 "[ . 1 . 2]" 1
846 1 41 ARG HB3 1 42 VAL H . . 3.800 3.595 3.208 3.836 0.036 2 0 "[ . 1 . 2]" 1
847 1 42 VAL H 1 42 VAL MG2 . . 3.990 2.449 1.803 3.805 . 0 0 "[ . 1 . 2]" 1
848 1 41 ARG HA 1 43 VAL H . . 4.750 4.673 4.542 4.796 0.046 10 0 "[ . 1 . 2]" 1
849 1 43 VAL H 1 44 GLN HA . . 5.270 5.323 5.298 5.335 0.065 8 0 "[ . 1 . 2]" 1
850 1 40 LYS HA 1 43 VAL H . . 3.980 3.673 3.483 3.939 . 0 0 "[ . 1 . 2]" 1
851 1 43 VAL H 1 43 VAL HB . . 3.750 3.044 2.348 3.688 . 0 0 "[ . 1 . 2]" 1
852 1 43 VAL H 1 46 THR MG . . 5.020 4.864 4.210 5.018 . 0 0 "[ . 1 . 2]" 1
853 1 23 ALA MB 1 43 VAL H . . 4.760 4.500 4.193 4.804 0.044 14 0 "[ . 1 . 2]" 1
854 1 42 VAL H 1 44 GLN H . . 4.700 4.212 4.032 4.414 . 0 0 "[ . 1 . 2]" 1
855 1 41 ARG HA 1 44 GLN H . . 3.960 3.574 3.383 3.762 . 0 0 "[ . 1 . 2]" 1
856 1 40 LYS HA 1 44 GLN H . . 4.360 4.030 3.771 4.401 0.041 2 0 "[ . 1 . 2]" 1
857 1 44 GLN H 1 44 GLN QG . . 3.980 3.633 2.449 4.040 0.060 1 0 "[ . 1 . 2]" 1
858 1 44 GLN H 1 44 GLN HB2 . . 3.580 2.487 2.188 2.690 . 0 0 "[ . 1 . 2]" 1
859 1 41 ARG HB3 1 44 GLN H . . 5.500 5.480 5.284 5.563 0.063 1 0 "[ . 1 . 2]" 1
860 1 44 GLN H 1 46 THR MG . . 5.500 5.491 4.971 5.580 0.080 7 0 "[ . 1 . 2]" 1
861 1 44 GLN H 1 47 LYS QD . . 5.500 4.633 3.809 5.552 0.052 10 0 "[ . 1 . 2]" 1
862 1 43 VAL QG 1 44 GLN H . . 3.570 2.302 2.102 2.505 . 0 0 "[ . 1 . 2]" 1
863 1 118 TRP HB2 1 118 TRP HE1 . . 4.960 4.727 4.670 4.782 . 0 0 "[ . 1 . 2]" 1
864 1 13 ILE HA 1 118 TRP HE1 . . 5.500 5.342 4.741 5.563 0.063 6 0 "[ . 1 . 2]" 1
865 1 44 GLN H 1 45 HIS H . . 3.340 2.727 2.470 2.965 . 0 0 "[ . 1 . 2]" 1
866 1 45 HIS H 1 46 THR H . . 3.460 2.843 2.695 2.962 . 0 0 "[ . 1 . 2]" 1
867 1 45 HIS H 1 45 HIS HB3 . . 3.120 2.254 2.150 2.359 . 0 0 "[ . 1 . 2]" 1
868 1 42 VAL HA 1 45 HIS H . . 3.930 3.447 3.125 3.752 . 0 0 "[ . 1 . 2]" 1
869 1 45 HIS H 1 45 HIS HB2 . . 3.240 2.612 2.517 2.741 . 0 0 "[ . 1 . 2]" 1
870 1 44 GLN QG 1 45 HIS H . . 4.310 3.759 3.242 4.366 0.056 15 0 "[ . 1 . 2]" 1
871 1 44 GLN HB2 1 45 HIS H . . 4.170 3.654 2.371 4.107 . 0 0 "[ . 1 . 2]" 1
872 1 44 GLN HB3 1 45 HIS H . . 4.170 2.847 2.469 3.686 . 0 0 "[ . 1 . 2]" 1
873 1 45 HIS H 1 46 THR MG . . 4.370 4.355 4.103 4.443 0.073 9 0 "[ . 1 . 2]" 1
874 1 43 VAL QG 1 45 HIS H . . 4.290 4.294 4.103 4.369 0.079 20 0 "[ . 1 . 2]" 1
875 1 46 THR H 1 46 THR HB . . 3.670 3.578 3.541 3.622 . 0 0 "[ . 1 . 2]" 1
876 1 43 VAL HA 1 46 THR H . . 4.510 3.436 3.209 3.595 . 0 0 "[ . 1 . 2]" 1
877 1 45 HIS HB2 1 46 THR H . . 4.280 3.905 3.801 4.051 . 0 0 "[ . 1 . 2]" 1
878 1 46 THR H 1 47 LYS QB . . 5.090 4.801 4.327 5.161 0.071 12 0 "[ . 1 . 2]" 1
879 1 46 THR H 1 63 LEU QD . . 4.690 4.191 3.867 4.442 . 0 0 "[ . 1 . 2]" 1
880 1 46 THR H 1 59 ILE MG . . 5.130 4.129 3.750 4.587 . 0 0 "[ . 1 . 2]" 1
881 1 46 THR H 1 47 LYS H . . 3.570 2.921 2.733 3.055 . 0 0 "[ . 1 . 2]" 1
882 1 45 HIS H 1 47 LYS H . . 4.900 4.158 3.952 4.342 . 0 0 "[ . 1 . 2]" 1
883 1 47 LYS H 1 49 CYS H . . 4.390 4.117 3.976 4.309 . 0 0 "[ . 1 . 2]" 1
884 1 46 THR HB 1 47 LYS H . . 4.110 3.923 3.735 4.166 0.056 13 0 "[ . 1 . 2]" 1
885 1 44 GLN HA 1 47 LYS H . . 3.880 3.719 3.481 3.893 0.013 2 0 "[ . 1 . 2]" 1
886 1 47 LYS H 1 47 LYS QE . . 5.010 4.544 3.757 5.044 0.034 13 0 "[ . 1 . 2]" 1
887 1 47 LYS H 1 47 LYS QB . . 2.930 2.290 2.063 2.528 . 0 0 "[ . 1 . 2]" 1
888 1 46 THR MG 1 47 LYS H . . 4.140 4.139 3.930 4.213 0.073 19 0 "[ . 1 . 2]" 1
889 1 43 VAL QG 1 47 LYS H . . 4.770 4.254 3.643 4.861 0.091 6 0 "[ . 1 . 2]" 1
890 1 47 LYS H 1 48 GLY H . . 3.440 2.749 2.564 2.835 . 0 0 "[ . 1 . 2]" 1
891 1 46 THR H 1 48 GLY H . . 5.060 4.425 4.216 4.595 . 0 0 "[ . 1 . 2]" 1
892 1 45 HIS HA 1 48 GLY H . . 4.420 3.879 3.586 4.180 . 0 0 "[ . 1 . 2]" 1
893 1 44 GLN HA 1 48 GLY H . . 5.110 4.963 4.035 5.175 0.065 17 0 "[ . 1 . 2]" 1
894 1 48 GLY H 1 49 CYS HA . . 5.420 4.754 4.304 5.164 . 0 0 "[ . 1 . 2]" 1
895 1 46 THR HA 1 48 GLY H . . 4.630 3.922 3.592 4.622 . 0 0 "[ . 1 . 2]" 1
896 1 47 LYS QB 1 48 GLY H . . 3.570 2.916 2.476 3.641 0.071 12 0 "[ . 1 . 2]" 1
897 1 47 LYS QD 1 48 GLY H . . 4.920 4.905 4.562 4.999 0.079 8 0 "[ . 1 . 2]" 1
898 1 47 LYS QG 1 48 GLY H . . 5.130 4.211 2.628 4.777 . 0 0 "[ . 1 . 2]" 1
899 1 48 GLY H 1 49 CYS H . . 3.240 2.422 2.110 2.943 . 0 0 "[ . 1 . 2]" 1
900 1 49 CYS H 1 50 LYS H . . 4.980 4.171 3.768 4.462 . 0 0 "[ . 1 . 2]" 1
901 1 49 CYS H 1 50 LYS HA . . 5.500 5.415 4.716 5.569 0.069 9 0 "[ . 1 . 2]" 1
902 1 47 LYS HA 1 49 CYS H . . 4.500 4.259 3.919 4.538 0.038 17 0 "[ . 1 . 2]" 1
903 1 46 THR HA 1 49 CYS H . . 3.880 3.029 2.775 3.392 . 0 0 "[ . 1 . 2]" 1
904 1 46 THR MG 1 49 CYS H . . 5.500 4.857 4.556 5.231 . 0 0 "[ . 1 . 2]" 1
905 1 49 CYS H 1 52 LYS QE . . 5.500 5.326 4.235 5.580 0.080 15 0 "[ . 1 . 2]" 1
906 1 47 LYS QB 1 49 CYS H . . 4.880 4.751 4.615 4.951 0.071 12 0 "[ . 1 . 2]" 1
907 1 50 LYS H 1 51 ARG H . . 4.390 2.157 1.870 2.544 . 0 0 "[ . 1 . 2]" 1
908 1 49 CYS HA 1 51 ARG H . . 4.450 3.275 3.091 3.627 . 0 0 "[ . 1 . 2]" 1
909 1 51 ARG H 1 51 ARG QD . . 4.990 4.121 3.378 4.837 . 0 0 "[ . 1 . 2]" 1
910 1 50 LYS QD 1 51 ARG H . . 4.840 4.832 4.178 4.911 0.071 6 0 "[ . 1 . 2]" 1
911 1 51 ARG QG 1 52 LYS H . . 4.450 3.275 2.600 4.208 . 0 0 "[ . 1 . 2]" 1
912 1 51 ARG QB 1 52 LYS H . . 4.350 3.543 2.894 3.890 . 0 0 "[ . 1 . 2]" 1
913 1 50 LYS QD 1 52 LYS H . . 5.500 5.208 4.738 5.491 . 0 0 "[ . 1 . 2]" 1
914 1 52 LYS H 1 52 LYS QG . . 4.330 2.152 1.707 2.518 . 0 0 "[ . 1 . 2]" 1
915 1 52 LYS H 1 53 THR H . . 4.790 3.024 2.864 3.287 . 0 0 "[ . 1 . 2]" 1
916 1 52 LYS HB2 1 53 THR H . . 4.320 3.512 2.312 4.343 0.023 18 0 "[ . 1 . 2]" 1
917 1 52 LYS HB3 1 53 THR H . . 4.320 4.023 3.504 4.372 0.052 2 0 "[ . 1 . 2]" 1
918 1 52 LYS QG 1 53 THR H . . 4.800 3.421 2.591 4.470 . 0 0 "[ . 1 . 2]" 1
919 1 55 GLY H 1 56 GLY H . . 4.180 3.103 2.102 4.017 . 0 0 "[ . 1 . 2]" 1
920 1 54 ASN QB 1 55 GLY H . . 4.630 2.781 2.071 3.835 . 0 0 "[ . 1 . 2]" 1
921 1 55 GLY QA 1 56 GLY H . . 3.180 2.328 2.035 2.705 . 0 0 "[ . 1 . 2]" 1
922 1 54 ASN QB 1 56 GLY H . . 5.500 5.289 4.309 5.581 0.081 4 0 "[ . 1 . 2]" 1
923 1 51 ARG QG 1 56 GLY H . . 4.860 4.211 2.998 4.916 0.056 14 0 "[ . 1 . 2]" 1
924 1 52 LYS H 1 57 CYS H . . 5.350 5.196 4.125 5.414 0.064 1 0 "[ . 1 . 2]" 1
925 1 56 GLY H 1 57 CYS H . . 4.690 4.469 4.003 4.663 . 0 0 "[ . 1 . 2]" 1
926 1 51 ARG QD 1 57 CYS H . . 4.860 3.788 2.086 4.937 0.077 15 0 "[ . 1 . 2]" 1
927 1 51 ARG QG 1 57 CYS H . . 4.280 3.584 2.657 4.349 0.069 15 0 "[ . 1 . 2]" 1
928 1 59 ILE H 1 60 CYS H . . 3.250 2.870 2.698 3.139 . 0 0 "[ . 1 . 2]" 1
929 1 59 ILE H 1 62 GLN H . . 4.980 4.826 4.642 5.037 0.057 19 0 "[ . 1 . 2]" 1
930 1 58 PRO QD 1 59 ILE H . . 3.640 2.790 2.511 3.017 . 0 0 "[ . 1 . 2]" 1
931 1 58 PRO QB 1 59 ILE H . . 4.600 3.370 3.191 3.623 . 0 0 "[ . 1 . 2]" 1
932 1 58 PRO HG2 1 59 ILE H . . 4.200 2.535 2.331 2.749 . 0 0 "[ . 1 . 2]" 1
933 1 58 PRO HG3 1 59 ILE H . . 4.200 4.074 3.883 4.255 0.055 12 0 "[ . 1 . 2]" 1
934 1 59 ILE H 1 59 ILE HB . . 3.200 2.605 2.403 2.823 . 0 0 "[ . 1 . 2]" 1
935 1 59 ILE H 1 59 ILE QG . . 3.870 1.961 1.793 2.111 . 0 0 "[ . 1 . 2]" 1
936 1 59 ILE HB 1 60 CYS H . . 3.370 2.694 2.506 2.951 . 0 0 "[ . 1 . 2]" 1
937 1 59 ILE QG 1 60 CYS H . . 5.290 4.016 3.793 4.206 . 0 0 "[ . 1 . 2]" 1
938 1 60 CYS H 1 62 GLN H . . 5.320 4.373 4.148 4.704 . 0 0 "[ . 1 . 2]" 1
939 1 62 GLN H 1 64 ILE H . . 4.980 4.402 4.101 4.667 . 0 0 "[ . 1 . 2]" 1
940 1 61 LYS QE 1 62 GLN H . . 5.500 4.652 3.787 5.575 0.075 6 0 "[ . 1 . 2]" 1
941 1 62 GLN H 1 62 GLN QB . . 3.810 2.417 2.125 2.774 . 0 0 "[ . 1 . 2]" 1
942 1 62 GLN H 1 62 GLN QG . . 3.270 2.373 1.982 3.066 . 0 0 "[ . 1 . 2]" 1
943 1 61 LYS HB2 1 62 GLN H . . 4.070 3.366 2.413 4.057 . 0 0 "[ . 1 . 2]" 1
944 1 61 LYS HB3 1 62 GLN H . . 4.070 3.417 2.378 4.126 0.056 11 0 "[ . 1 . 2]" 1
945 1 63 LEU H 1 64 ILE H . . 3.560 2.799 2.683 3.020 . 0 0 "[ . 1 . 2]" 1
946 1 62 GLN H 1 63 LEU H . . 3.390 2.757 2.571 2.941 . 0 0 "[ . 1 . 2]" 1
947 1 62 GLN QG 1 63 LEU H . . 4.260 3.806 2.210 4.340 0.080 7 0 "[ . 1 . 2]" 1
948 1 63 LEU H 1 63 LEU QB . . 3.100 2.269 2.207 2.376 . 0 0 "[ . 1 . 2]" 1
949 1 46 THR MG 1 63 LEU H . . 4.840 4.384 4.024 4.922 0.082 17 0 "[ . 1 . 2]" 1
950 1 107 ARG H 1 107 ARG QG . . 4.990 3.374 2.150 4.364 . 0 0 "[ . 1 . 2]" 1
951 1 59 ILE MG 1 63 LEU H . . 4.690 3.976 3.687 4.462 . 0 0 "[ . 1 . 2]" 1
952 1 106 GLY QA 1 107 ARG H . . 3.120 2.794 2.301 2.974 . 0 0 "[ . 1 . 2]" 1
953 1 87 ILE H 1 88 LYS H . . 3.510 2.770 2.641 2.892 . 0 0 "[ . 1 . 2]" 1
954 1 64 ILE H 1 66 LEU H . . 4.710 4.593 4.337 4.771 0.061 15 0 "[ . 1 . 2]" 1
955 1 64 ILE H 1 65 ALA H . . 3.570 2.744 2.609 2.832 . 0 0 "[ . 1 . 2]" 1
956 1 86 ASN HA 1 88 LYS H . . 5.060 4.512 4.287 4.777 . 0 0 "[ . 1 . 2]" 1
957 1 64 ILE H 1 65 ALA HA . . 5.320 5.320 5.214 5.374 0.054 9 0 "[ . 1 . 2]" 1
958 1 85 LEU HA 1 88 LYS H . . 4.060 3.254 3.002 3.554 . 0 0 "[ . 1 . 2]" 1
959 1 61 LYS HA 1 64 ILE H . . 4.340 3.655 3.227 4.000 . 0 0 "[ . 1 . 2]" 1
960 1 88 LYS H 1 88 LYS QD . . 3.530 3.422 2.209 3.605 0.075 6 0 "[ . 1 . 2]" 1
961 1 64 ILE H 1 64 ILE QG . . 3.600 2.447 2.185 3.202 . 0 0 "[ . 1 . 2]" 1
962 1 64 ILE H 1 64 ILE MG . . 3.910 3.693 3.644 3.757 . 0 0 "[ . 1 . 2]" 1
963 1 64 ILE H 1 64 ILE MD . . 3.950 3.310 2.100 3.597 . 0 0 "[ . 1 . 2]" 1
964 1 63 LEU QB 1 65 ALA H . . 5.170 4.722 4.562 4.862 . 0 0 "[ . 1 . 2]" 1
965 1 65 ALA H 1 66 LEU QB . . 5.500 4.756 4.516 5.039 . 0 0 "[ . 1 . 2]" 1
966 1 64 ILE HB 1 65 ALA H . . 4.030 3.076 2.844 3.283 . 0 0 "[ . 1 . 2]" 1
967 1 65 ALA H 1 66 LEU H . . 3.620 2.833 2.736 2.946 . 0 0 "[ . 1 . 2]" 1
968 1 66 LEU H 1 66 LEU QB . . 3.440 2.321 2.162 2.526 . 0 0 "[ . 1 . 2]" 1
969 1 65 ALA MB 1 66 LEU H . . 3.430 2.418 2.313 2.538 . 0 0 "[ . 1 . 2]" 1
970 1 66 LEU H 1 66 LEU MD1 . . 4.270 3.936 3.513 4.179 . 0 0 "[ . 1 . 2]" 1
971 1 66 LEU H 1 67 ALA HA . . 5.170 5.181 5.073 5.223 0.053 7 0 "[ . 1 . 2]" 1
972 1 67 ALA H 1 68 ALA H . . 3.600 2.826 2.724 2.961 . 0 0 "[ . 1 . 2]" 1
973 1 66 LEU H 1 67 ALA H . . 3.530 2.551 2.418 2.615 . 0 0 "[ . 1 . 2]" 1
974 1 65 ALA H 1 67 ALA H . . 4.850 4.122 3.994 4.243 . 0 0 "[ . 1 . 2]" 1
975 1 64 ILE HA 1 67 ALA H . . 4.070 3.438 3.228 3.547 . 0 0 "[ . 1 . 2]" 1
976 1 66 LEU QB 1 67 ALA H . . 3.680 2.664 2.375 2.999 . 0 0 "[ . 1 . 2]" 1
977 1 65 ALA MB 1 67 ALA H . . 4.760 4.493 4.397 4.609 . 0 0 "[ . 1 . 2]" 1
978 1 67 ALA H 1 68 ALA MB . . 5.080 4.465 4.345 4.597 . 0 0 "[ . 1 . 2]" 1
979 1 67 ALA H 1 87 ILE MD . . 4.310 3.922 3.776 4.140 . 0 0 "[ . 1 . 2]" 1
980 1 68 ALA H 1 69 TYR H . . 3.660 2.779 2.692 2.888 . 0 0 "[ . 1 . 2]" 1
981 1 66 LEU H 1 68 ALA H . . 4.720 4.119 3.973 4.239 . 0 0 "[ . 1 . 2]" 1
982 1 64 ILE HA 1 68 ALA H . . 4.470 3.896 3.628 4.123 . 0 0 "[ . 1 . 2]" 1
983 1 67 ALA MB 1 68 ALA H . . 3.510 2.835 2.661 2.947 . 0 0 "[ . 1 . 2]" 1
984 1 68 ALA H 1 68 ALA MB . . 3.020 2.217 2.148 2.250 . 0 0 "[ . 1 . 2]" 1
985 1 69 TYR H 1 71 ALA H . . 5.090 3.939 3.655 4.156 . 0 0 "[ . 1 . 2]" 1
986 1 69 TYR H 1 69 TYR QD . . 4.250 2.639 2.091 2.986 . 0 0 "[ . 1 . 2]" 1
987 1 66 LEU HA 1 69 TYR H . . 4.190 3.607 3.300 4.000 . 0 0 "[ . 1 . 2]" 1
988 1 67 ALA HA 1 69 TYR H . . 4.960 3.957 3.748 4.146 . 0 0 "[ . 1 . 2]" 1
989 1 69 TYR H 1 70 HIS HB2 . . 5.500 5.352 5.191 5.541 0.041 18 0 "[ . 1 . 2]" 1
990 1 67 ALA MB 1 69 TYR H . . 4.890 4.554 4.456 4.662 . 0 0 "[ . 1 . 2]" 1
991 1 68 ALA MB 1 69 TYR H . . 3.610 2.786 2.537 3.003 . 0 0 "[ . 1 . 2]" 1
992 1 69 TYR H 1 87 ILE MD . . 4.930 4.745 4.469 5.008 0.078 13 0 "[ . 1 . 2]" 1
993 1 70 HIS HB2 1 71 ALA H . . 4.280 4.190 4.055 4.327 0.047 17 0 "[ . 1 . 2]" 1
994 1 70 HIS HB3 1 71 ALA H . . 4.330 2.929 2.722 3.153 . 0 0 "[ . 1 . 2]" 1
995 1 71 ALA H 1 87 ILE MG . . 5.500 4.657 4.149 5.095 . 0 0 "[ . 1 . 2]" 1
996 1 71 ALA H 1 72 LYS H . . 3.620 2.992 2.830 3.152 . 0 0 "[ . 1 . 2]" 1
997 1 72 LYS H 1 72 LYS QE . . 4.740 4.358 4.012 4.701 . 0 0 "[ . 1 . 2]" 1
998 1 71 ALA MB 1 72 LYS H . . 3.050 2.804 2.386 3.122 0.072 5 0 "[ . 1 . 2]" 1
999 1 72 LYS H 1 72 LYS HB3 . . 3.310 2.887 2.607 3.167 . 0 0 "[ . 1 . 2]" 1
1000 1 72 LYS H 1 72 LYS HB2 . . 3.730 3.704 3.653 3.780 0.050 5 0 "[ . 1 . 2]" 1
1001 1 72 LYS H 1 72 LYS HG2 . . 3.530 2.295 2.079 2.572 . 0 0 "[ . 1 . 2]" 1
1002 1 72 LYS H 1 72 LYS HG3 . . 3.860 2.855 2.604 3.132 . 0 0 "[ . 1 . 2]" 1
1003 1 70 HIS HA 1 72 LYS H . . 4.910 4.192 3.736 4.749 . 0 0 "[ . 1 . 2]" 1
1004 1 71 ALA HA 1 73 HIS H . . 4.310 3.866 3.681 4.032 . 0 0 "[ . 1 . 2]" 1
1005 1 70 HIS HA 1 73 HIS H . . 4.610 3.476 3.245 3.741 . 0 0 "[ . 1 . 2]" 1
1006 1 73 HIS H 1 74 CYS HA . . 4.750 4.546 4.281 4.737 . 0 0 "[ . 1 . 2]" 1
1007 1 73 HIS H 1 73 HIS HB2 . . 3.840 2.613 2.455 2.798 . 0 0 "[ . 1 . 2]" 1
1008 1 73 HIS H 1 73 HIS HB3 . . 3.840 3.748 3.659 3.845 0.005 17 0 "[ . 1 . 2]" 1
1009 1 73 HIS H 1 74 CYS HB2 . . 4.230 3.795 3.613 4.005 . 0 0 "[ . 1 . 2]" 1
1010 1 73 HIS H 1 74 CYS HB3 . . 4.990 4.711 4.216 5.023 0.033 20 0 "[ . 1 . 2]" 1
1011 1 71 ALA MB 1 73 HIS H . . 4.650 4.430 4.259 4.634 . 0 0 "[ . 1 . 2]" 1
1012 1 72 LYS HB2 1 73 HIS H . . 4.530 4.329 4.124 4.460 . 0 0 "[ . 1 . 2]" 1
1013 1 72 LYS HG2 1 73 HIS H . . 4.810 4.006 3.797 4.396 . 0 0 "[ . 1 . 2]" 1
1014 1 72 LYS HG3 1 73 HIS H . . 4.900 3.226 2.921 3.687 . 0 0 "[ . 1 . 2]" 1
1015 1 73 HIS H 1 74 CYS H . . 2.860 2.061 1.817 2.446 . 0 0 "[ . 1 . 2]" 1
1016 1 74 CYS H 1 75 GLN H . . 4.760 4.444 4.226 4.602 . 0 0 "[ . 1 . 2]" 1
1017 1 72 LYS HA 1 74 CYS H . . 4.720 4.150 3.936 4.439 . 0 0 "[ . 1 . 2]" 1
1018 1 73 HIS HB2 1 74 CYS H . . 4.440 3.470 2.892 4.131 . 0 0 "[ . 1 . 2]" 1
1019 1 73 HIS HB3 1 74 CYS H . . 4.440 4.263 3.927 4.502 0.062 15 0 "[ . 1 . 2]" 1
1020 1 74 CYS H 1 74 CYS HB2 . . 3.090 2.278 2.031 2.498 . 0 0 "[ . 1 . 2]" 1
1021 1 74 CYS H 1 74 CYS HB3 . . 3.120 2.836 2.508 3.163 0.043 12 0 "[ . 1 . 2]" 1
1022 1 71 ALA MB 1 74 CYS H . . 5.090 4.777 4.435 5.067 . 0 0 "[ . 1 . 2]" 1
1023 1 75 GLN H 1 76 GLU HA . . 5.500 5.110 4.311 5.535 0.035 8 0 "[ . 1 . 2]" 1
1024 1 74 CYS HA 1 75 GLN H . . 3.070 2.216 2.044 2.546 . 0 0 "[ . 1 . 2]" 1
1025 1 75 GLN H 1 75 GLN QG . . 4.070 2.986 1.988 4.049 . 0 0 "[ . 1 . 2]" 1
1026 1 75 GLN H 1 75 GLN QB . . 3.660 2.402 2.095 2.660 . 0 0 "[ . 1 . 2]" 1
1027 1 104 ILE H 1 105 GLU H . . 3.530 2.370 1.697 3.564 0.034 7 0 "[ . 1 . 2]" 1
1028 1 75 GLN H 1 76 GLU H . . 3.330 2.503 1.761 3.048 . 0 0 "[ . 1 . 2]" 1
1029 1 75 GLN QG 1 76 GLU H . . 3.980 3.785 2.331 4.068 0.088 16 0 "[ . 1 . 2]" 1
1030 1 75 GLN QB 1 76 GLU H . . 3.200 2.683 1.977 3.287 0.087 5 0 "[ . 1 . 2]" 1
1031 1 104 ILE H 1 104 ILE HB . . 3.520 2.658 2.326 3.136 . 0 0 "[ . 1 . 2]" 1
1032 1 103 THR MG 1 104 ILE H . . 4.270 3.301 2.185 4.338 0.068 8 0 "[ . 1 . 2]" 1
1033 1 104 ILE H 1 104 ILE MG . . 3.940 3.094 1.834 3.949 0.009 10 0 "[ . 1 . 2]" 1
1034 1 77 ASN H 1 78 LYS H . . 4.640 2.597 2.040 3.853 . 0 0 "[ . 1 . 2]" 1
1035 1 76 GLU HA 1 77 ASN H . . 3.480 2.403 2.143 2.677 . 0 0 "[ . 1 . 2]" 1
1036 1 76 GLU HB2 1 77 ASN H . . 5.050 3.637 2.392 4.332 . 0 0 "[ . 1 . 2]" 1
1037 1 76 GLU HB3 1 77 ASN H . . 5.050 3.079 1.942 4.350 . 0 0 "[ . 1 . 2]" 1
1038 1 78 LYS H 1 79 CYS H . . 3.760 3.277 2.345 3.802 0.042 19 0 "[ . 1 . 2]" 1
1039 1 78 LYS H 1 78 LYS QE . . 5.340 4.829 3.874 5.422 0.082 2 0 "[ . 1 . 2]" 1
1040 1 77 ASN QB 1 78 LYS H . . 3.890 3.379 2.170 3.885 . 0 0 "[ . 1 . 2]" 1
1041 1 78 LYS H 1 78 LYS QB . . 3.680 2.789 2.275 3.548 . 0 0 "[ . 1 . 2]" 1
1042 1 78 LYS HA 1 79 CYS H . . 3.420 2.439 2.110 2.784 . 0 0 "[ . 1 . 2]" 1
1043 1 78 LYS QB 1 79 CYS H . . 4.150 3.965 3.614 4.092 . 0 0 "[ . 1 . 2]" 1
1044 1 79 CYS H 1 85 LEU QD . . 3.850 3.709 3.021 3.940 0.090 20 0 "[ . 1 . 2]" 1
1045 1 80 PRO HD2 1 81 VAL H . . 4.300 2.823 2.505 3.319 . 0 0 "[ . 1 . 2]" 1
1046 1 81 VAL H 1 82 PRO HD2 . . 5.040 4.961 4.885 5.029 . 0 0 "[ . 1 . 2]" 1
1047 1 80 PRO HD3 1 81 VAL H . . 4.300 3.941 3.717 4.262 . 0 0 "[ . 1 . 2]" 1
1048 1 81 VAL H 1 82 PRO HD3 . . 5.040 4.722 4.554 4.917 . 0 0 "[ . 1 . 2]" 1
1049 1 81 VAL H 1 84 CYS HB3 . . 4.440 3.812 3.344 4.223 . 0 0 "[ . 1 . 2]" 1
1050 1 81 VAL H 1 81 VAL HB . . 3.040 2.501 2.331 2.669 . 0 0 "[ . 1 . 2]" 1
1051 1 24 ALA MB 1 81 VAL H . . 5.240 5.016 4.610 5.278 0.038 11 0 "[ . 1 . 2]" 1
1052 1 81 VAL H 1 85 LEU QD . . 5.210 4.563 4.008 5.060 . 0 0 "[ . 1 . 2]" 1
1053 1 81 VAL H 1 81 VAL MG1 . . 3.810 3.788 3.714 3.869 0.059 7 0 "[ . 1 . 2]" 1
1054 1 81 VAL H 1 81 VAL MG2 . . 3.020 2.398 2.105 2.832 . 0 0 "[ . 1 . 2]" 1
1055 1 82 PRO QB 1 83 PHE H . . 4.410 3.356 3.146 3.503 . 0 0 "[ . 1 . 2]" 1
1056 1 83 PHE H 1 84 CYS H . . 3.780 2.545 2.458 2.673 . 0 0 "[ . 1 . 2]" 1
1057 1 84 CYS H 1 85 LEU H . . 3.640 2.816 2.696 2.920 . 0 0 "[ . 1 . 2]" 1
1058 1 81 VAL H 1 84 CYS H . . 5.160 4.796 4.446 5.045 . 0 0 "[ . 1 . 2]" 1
1059 1 83 PHE QD 1 84 CYS H . . 5.260 4.686 4.620 4.758 . 0 0 "[ . 1 . 2]" 1
1060 1 83 PHE HB2 1 84 CYS H . . 4.430 3.234 3.072 3.358 . 0 0 "[ . 1 . 2]" 1
1061 1 84 CYS H 1 84 CYS HB3 . . 3.240 2.537 2.231 2.814 . 0 0 "[ . 1 . 2]" 1
1062 1 84 CYS H 1 84 CYS HB2 . . 3.260 2.394 2.139 2.593 . 0 0 "[ . 1 . 2]" 1
1063 1 81 VAL HB 1 84 CYS H . . 4.140 3.048 2.736 3.284 . 0 0 "[ . 1 . 2]" 1
1064 1 67 ALA MB 1 84 CYS H . . 4.030 3.987 3.616 4.106 0.076 9 0 "[ . 1 . 2]" 1
1065 1 84 CYS H 1 85 LEU QD . . 4.970 4.497 4.297 4.713 . 0 0 "[ . 1 . 2]" 1
1066 1 81 VAL MG1 1 84 CYS H . . 3.840 2.198 1.759 2.666 . 0 0 "[ . 1 . 2]" 1
1067 1 81 VAL MG2 1 84 CYS H . . 5.010 4.468 4.188 4.635 . 0 0 "[ . 1 . 2]" 1
1068 1 85 LEU H 1 88 LYS H . . 5.450 4.977 4.776 5.489 0.039 10 0 "[ . 1 . 2]" 1
1069 1 84 CYS HB3 1 85 LEU H . . 3.480 2.150 2.026 2.302 . 0 0 "[ . 1 . 2]" 1
1070 1 84 CYS HB2 1 85 LEU H . . 4.090 3.568 3.386 3.707 . 0 0 "[ . 1 . 2]" 1
1071 1 81 VAL HB 1 85 LEU H . . 4.960 4.540 4.260 4.804 . 0 0 "[ . 1 . 2]" 1
1072 1 85 LEU H 1 85 LEU QB . . 2.980 2.531 2.432 2.625 . 0 0 "[ . 1 . 2]" 1
1073 1 85 LEU H 1 85 LEU HG . . 3.540 2.228 2.029 2.483 . 0 0 "[ . 1 . 2]" 1
1074 1 85 LEU H 1 85 LEU QD . . 3.900 2.999 2.815 3.108 . 0 0 "[ . 1 . 2]" 1
1075 1 85 LEU H 1 86 ASN H . . 3.420 2.789 2.697 2.885 . 0 0 "[ . 1 . 2]" 1
1076 1 86 ASN H 1 87 ILE H . . 3.360 2.775 2.614 2.941 . 0 0 "[ . 1 . 2]" 1
1077 1 86 ASN H 1 88 LYS H . . 4.480 4.241 3.921 4.533 0.053 10 0 "[ . 1 . 2]" 1
1078 1 86 ASN H 1 89 GLN H . . 4.990 4.804 4.662 4.986 . 0 0 "[ . 1 . 2]" 1
1079 1 83 PHE H 1 86 ASN H . . 4.960 4.727 4.599 4.847 . 0 0 "[ . 1 . 2]" 1
1080 1 83 PHE HA 1 86 ASN H . . 4.030 3.224 2.976 3.425 . 0 0 "[ . 1 . 2]" 1
1081 1 83 PHE HB3 1 86 ASN H . . 5.390 5.163 4.915 5.418 0.028 17 0 "[ . 1 . 2]" 1
1082 1 86 ASN H 1 86 ASN QB . . 3.230 2.285 2.101 2.464 . 0 0 "[ . 1 . 2]" 1
1083 1 85 LEU QB 1 86 ASN H . . 3.700 3.670 3.477 3.748 0.048 2 0 "[ . 1 . 2]" 1
1084 1 85 LEU HG 1 86 ASN H . . 3.710 2.671 2.242 2.973 . 0 0 "[ . 1 . 2]" 1
1085 1 85 LEU QD 1 86 ASN H . . 4.510 2.672 2.238 2.956 . 0 0 "[ . 1 . 2]" 1
1086 1 86 ASN H 1 87 ILE MD . . 4.990 4.801 3.752 5.065 0.075 14 0 "[ . 1 . 2]" 1
1087 1 84 CYS HA 1 87 ILE H . . 4.290 3.769 3.494 4.027 . 0 0 "[ . 1 . 2]" 1
1088 1 86 ASN QB 1 87 ILE H . . 3.860 2.633 2.367 3.059 . 0 0 "[ . 1 . 2]" 1
1089 1 64 ILE QG 1 87 ILE H . . 4.810 4.881 4.866 4.889 0.079 16 0 "[ . 1 . 2]" 1
1090 1 64 ILE MG 1 87 ILE H . . 5.170 5.034 4.475 5.246 0.076 11 0 "[ . 1 . 2]" 1
1091 1 89 GLN H 1 90 LYS H . . 3.420 2.670 2.291 2.938 . 0 0 "[ . 1 . 2]" 1
1092 1 88 LYS H 1 89 GLN H . . 3.490 2.841 2.676 3.044 . 0 0 "[ . 1 . 2]" 1
1093 1 87 ILE H 1 89 GLN H . . 4.560 4.198 3.963 4.546 . 0 0 "[ . 1 . 2]" 1
1094 1 89 GLN H 1 89 GLN HG3 . . 4.010 3.194 2.317 3.830 . 0 0 "[ . 1 . 2]" 1
1095 1 89 GLN H 1 89 GLN QB . . 2.990 2.448 2.268 2.840 . 0 0 "[ . 1 . 2]" 1
1096 1 89 GLN H 1 90 LYS QG . . 4.300 4.156 3.760 4.369 0.069 17 0 "[ . 1 . 2]" 1
1097 1 85 LEU QD 1 89 GLN H . . 4.740 4.549 4.008 4.818 0.078 4 0 "[ . 1 . 2]" 1
1098 1 89 GLN H 1 90 LYS QE . . 4.800 4.828 4.440 4.881 0.081 6 0 "[ . 1 . 2]" 1
1099 1 88 LYS H 1 90 LYS H . . 5.120 4.276 4.070 4.433 . 0 0 "[ . 1 . 2]" 1
1100 1 86 ASN HA 1 90 LYS H . . 4.820 4.656 4.092 4.889 0.069 13 0 "[ . 1 . 2]" 1
1101 1 87 ILE HA 1 90 LYS H . . 4.150 3.615 3.184 4.172 0.022 10 0 "[ . 1 . 2]" 1
1102 1 88 LYS HA 1 90 LYS H . . 4.470 4.024 3.428 4.505 0.035 7 0 "[ . 1 . 2]" 1
1103 1 89 GLN QB 1 90 LYS H . . 3.830 3.099 2.599 3.911 0.081 3 0 "[ . 1 . 2]" 1
1104 1 90 LYS H 1 90 LYS QB . . 3.350 2.570 2.347 3.100 . 0 0 "[ . 1 . 2]" 1
1105 1 90 LYS H 1 90 LYS QD . . 4.660 4.098 2.979 4.719 0.059 3 0 "[ . 1 . 2]" 1
1106 1 90 LYS H 1 90 LYS QG . . 3.920 2.396 1.980 2.934 . 0 0 "[ . 1 . 2]" 1
1107 1 90 LYS H 1 91 GLY H . . 3.730 2.739 2.038 3.787 0.057 13 0 "[ . 1 . 2]" 1
1108 1 90 LYS QB 1 91 GLY H . . 4.310 3.331 2.140 4.115 . 0 0 "[ . 1 . 2]" 1
1109 1 94 GLY QA 1 95 GLY H . . 3.030 2.768 2.145 3.021 . 0 0 "[ . 1 . 2]" 1
1110 1 97 THR H 1 97 THR MG . . 4.710 2.885 2.063 3.868 . 0 0 "[ . 1 . 2]" 1
1111 1 103 THR H 1 103 THR HB . . 3.730 2.956 2.348 3.709 . 0 0 "[ . 1 . 2]" 1
1112 1 102 GLY QA 1 103 THR H . . 3.150 2.863 2.319 3.017 . 0 0 "[ . 1 . 2]" 1
1113 1 103 THR H 1 103 THR MG . . 3.950 3.026 2.095 3.893 . 0 0 "[ . 1 . 2]" 1
1114 1 105 GLU H 1 105 GLU QG . . 3.550 2.503 1.870 3.346 . 0 0 "[ . 1 . 2]" 1
1115 1 104 ILE HB 1 105 GLU H . . 4.190 3.253 2.130 4.266 0.076 7 0 "[ . 1 . 2]" 1
1116 1 104 ILE HG12 1 105 GLU H . . 5.380 4.865 4.075 5.446 0.066 4 0 "[ . 1 . 2]" 1
1117 1 103 THR MG 1 105 GLU H . . 5.050 3.539 1.941 5.143 0.093 17 0 "[ . 1 . 2]" 1
1118 1 104 ILE HG13 1 105 GLU H . . 5.380 4.471 3.748 5.093 . 0 0 "[ . 1 . 2]" 1
1119 1 104 ILE MG 1 105 GLU H . . 3.780 3.086 2.428 3.813 0.033 10 0 "[ . 1 . 2]" 1
1120 1 105 GLU HA 1 106 GLY H . . 3.020 2.725 2.193 3.090 0.070 5 0 "[ . 1 . 2]" 1
1121 1 105 GLU QG 1 106 GLY H . . 4.530 3.981 2.683 4.605 0.075 7 0 "[ . 1 . 2]" 1
1122 1 107 ARG H 1 108 GLY H . . 4.770 3.823 2.707 4.641 . 0 0 "[ . 1 . 2]" 1
1123 1 107 ARG HA 1 108 GLY H . . 3.570 2.615 2.170 3.567 . 0 0 "[ . 1 . 2]" 1
1124 1 107 ARG HB2 1 108 GLY H . . 4.920 3.877 2.027 4.691 . 0 0 "[ . 1 . 2]" 1
1125 1 107 ARG HB3 1 108 GLY H . . 4.920 3.993 3.224 4.708 . 0 0 "[ . 1 . 2]" 1
1126 1 107 ARG QG 1 108 GLY H . . 5.200 3.683 1.856 4.736 . 0 0 "[ . 1 . 2]" 1
1127 1 108 GLY H 1 109 ASP H . . 4.010 2.499 1.780 3.446 . 0 0 "[ . 1 . 2]" 1
1128 1 108 GLY QA 1 109 ASP H . . 3.070 2.717 2.158 3.022 . 0 0 "[ . 1 . 2]" 1
1129 1 109 ASP H 1 109 ASP HB2 . . 3.930 3.045 2.160 3.947 0.017 1 0 "[ . 1 . 2]" 1
1130 1 109 ASP H 1 109 ASP HB3 . . 3.930 2.980 2.128 3.901 . 0 0 "[ . 1 . 2]" 1
1131 1 109 ASP H 1 110 GLY H . . 4.570 3.575 2.058 4.575 0.005 10 0 "[ . 1 . 2]" 1
1132 1 111 GLY H 1 112 THR H . . 4.290 2.566 2.014 3.332 . 0 0 "[ . 1 . 2]" 1
1133 1 112 THR H 1 112 THR HB . . 4.100 3.667 3.382 4.005 . 0 0 "[ . 1 . 2]" 1
1134 1 111 GLY QA 1 112 THR H . . 3.360 2.853 2.573 3.028 . 0 0 "[ . 1 . 2]" 1
1135 1 112 THR H 1 112 THR MG . . 3.750 2.960 2.317 3.402 . 0 0 "[ . 1 . 2]" 1
1136 1 37 GLN H 1 38 LYS H . . 3.250 2.945 2.535 3.187 . 0 0 "[ . 1 . 2]" 1
1137 1 113 THR H 1 113 THR MG . . 3.990 3.215 2.378 3.798 . 0 0 "[ . 1 . 2]" 1
1138 1 125 SER H 1 125 SER HB2 . . 4.110 3.351 2.271 3.970 . 0 0 "[ . 1 . 2]" 1
1139 1 125 SER H 1 125 SER HB3 . . 4.110 3.233 2.403 3.930 . 0 0 "[ . 1 . 2]" 1
1140 1 114 PHE QB 1 115 GLU H . . 3.920 3.742 3.642 3.861 . 0 0 "[ . 1 . 2]" 1
1141 1 115 GLU H 1 115 GLU QG . . 3.700 2.329 2.093 2.557 . 0 0 "[ . 1 . 2]" 1
1142 1 112 THR MG 1 115 GLU H . . 4.900 4.957 4.801 4.983 0.083 10 0 "[ . 1 . 2]" 1
1143 1 116 HIS QB 1 117 LEU H . . 4.010 3.706 3.582 3.866 . 0 0 "[ . 1 . 2]" 1
1144 1 117 LEU H 1 117 LEU MD2 . . 4.430 4.152 4.028 4.223 . 0 0 "[ . 1 . 2]" 1
1145 1 117 LEU H 1 117 LEU MD1 . . 4.430 2.235 2.105 2.512 . 0 0 "[ . 1 . 2]" 1
1146 1 117 LEU H 1 117 LEU HB3 . . 3.910 3.560 3.506 3.636 . 0 0 "[ . 1 . 2]" 1
1147 1 117 LEU H 1 117 LEU HG . . 4.280 3.714 3.533 3.981 . 0 0 "[ . 1 . 2]" 1
1148 1 117 LEU H 1 117 LEU HB2 . . 3.480 2.313 2.193 2.447 . 0 0 "[ . 1 . 2]" 1
1149 1 118 TRP H 1 118 TRP HB2 . . 4.050 2.579 2.460 2.694 . 0 0 "[ . 1 . 2]" 1
1150 1 118 TRP H 1 118 TRP HB3 . . 3.920 3.591 3.533 3.634 . 0 0 "[ . 1 . 2]" 1
1151 1 117 LEU HB2 1 118 TRP H . . 4.450 3.201 2.890 3.411 . 0 0 "[ . 1 . 2]" 1
1152 1 117 LEU MD1 1 118 TRP H . . 5.430 4.400 4.290 4.497 . 0 0 "[ . 1 . 2]" 1
1153 1 118 TRP H 1 121 LEU QD . . 5.500 5.134 4.158 5.575 0.075 13 0 "[ . 1 . 2]" 1
1154 1 118 TRP HD1 1 119 SER H . . 5.090 5.085 4.485 5.170 0.080 15 0 "[ . 1 . 2]" 1
1155 1 119 SER H 1 119 SER HB2 . . 3.900 2.563 2.123 3.667 . 0 0 "[ . 1 . 2]" 1
1156 1 119 SER H 1 119 SER HB3 . . 3.900 2.886 2.369 3.612 . 0 0 "[ . 1 . 2]" 1
1157 1 118 TRP HB2 1 119 SER H . . 4.420 3.132 2.589 3.403 . 0 0 "[ . 1 . 2]" 1
1158 1 118 TRP HB3 1 119 SER H . . 4.420 4.108 3.821 4.301 . 0 0 "[ . 1 . 2]" 1
1159 1 120 SER H 1 121 LEU H . . 3.930 2.276 1.759 2.847 . 0 0 "[ . 1 . 2]" 1
1160 1 120 SER H 1 121 LEU QB . . 4.980 3.714 3.255 4.306 . 0 0 "[ . 1 . 2]" 1
1161 1 121 LEU H 1 122 GLU H . . 4.750 4.482 3.866 4.694 . 0 0 "[ . 1 . 2]" 1
1162 1 121 LEU H 1 121 LEU QB . . 3.300 2.269 2.029 2.590 . 0 0 "[ . 1 . 2]" 1
1163 1 121 LEU H 1 121 LEU HG . . 4.540 4.434 4.004 4.595 0.055 17 0 "[ . 1 . 2]" 1
1164 1 121 LEU H 1 121 LEU QD . . 4.170 3.586 2.297 3.922 . 0 0 "[ . 1 . 2]" 1
1165 1 121 LEU HA 1 122 GLU H . . 3.160 2.429 2.162 2.737 . 0 0 "[ . 1 . 2]" 1
1166 1 122 GLU H 1 123 PRO QD . . 4.360 4.387 4.225 4.429 0.069 15 0 "[ . 1 . 2]" 1
1167 1 121 LEU QB 1 122 GLU H . . 4.080 3.318 1.979 4.011 . 0 0 "[ . 1 . 2]" 1
1168 1 121 LEU HG 1 122 GLU H . . 4.080 2.728 1.777 4.028 . 0 0 "[ . 1 . 2]" 1
1169 1 123 PRO QD 1 124 ASP H . . 4.190 3.099 2.401 3.836 . 0 0 "[ . 1 . 2]" 1
1170 1 124 ASP H 1 124 ASP QB . . 3.440 2.331 2.065 2.646 . 0 0 "[ . 1 . 2]" 1
1171 1 123 PRO QB 1 124 ASP H . . 4.080 3.732 3.432 4.083 0.003 2 0 "[ . 1 . 2]" 1
1172 1 124 ASP H 1 125 SER H . . 3.730 2.504 2.001 3.094 . 0 0 "[ . 1 . 2]" 1
1173 1 124 ASP QB 1 125 SER H . . 4.100 3.223 2.552 3.858 . 0 0 "[ . 1 . 2]" 1
1174 1 125 SER HA 1 126 THR H . . 3.300 2.778 2.190 3.218 . 0 0 "[ . 1 . 2]" 1
1175 1 126 THR H 1 126 THR MG . . 3.550 2.296 1.983 3.615 0.065 18 0 "[ . 1 . 2]" 1
1176 1 126 THR H 1 127 TYR H . . 3.590 2.864 2.546 3.218 . 0 0 "[ . 1 . 2]" 1
1177 1 126 THR HB 1 127 TYR H . . 4.300 4.193 3.031 4.366 0.066 1 0 "[ . 1 . 2]" 1
1178 1 127 TYR H 1 127 TYR HB3 . . 3.320 3.099 2.753 3.368 0.048 18 0 "[ . 1 . 2]" 1
1179 1 126 THR MG 1 127 TYR H . . 4.120 2.912 2.357 3.685 . 0 0 "[ . 1 . 2]" 1
1180 1 128 PHE H 1 128 PHE HB3 . . 3.890 3.397 3.170 3.574 . 0 0 "[ . 1 . 2]" 1
1181 1 127 TYR HB2 1 128 PHE H . . 4.350 3.946 2.868 4.344 . 0 0 "[ . 1 . 2]" 1
1182 1 128 PHE H 1 129 ASP H . . 4.570 4.401 4.144 4.603 0.033 3 0 "[ . 1 . 2]" 1
1183 1 129 ASP H 1 130 LEU H . . 4.470 4.395 3.963 4.527 0.057 20 0 "[ . 1 . 2]" 1
1184 1 128 PHE HA 1 129 ASP H . . 3.160 2.591 2.263 2.967 . 0 0 "[ . 1 . 2]" 1
1185 1 128 PHE HB2 1 129 ASP H . . 4.050 3.747 3.304 4.029 . 0 0 "[ . 1 . 2]" 1
1186 1 128 PHE HB3 1 129 ASP H . . 4.080 2.306 1.752 2.735 . 0 0 "[ . 1 . 2]" 1
1187 1 129 ASP H 1 129 ASP HB2 . . 3.590 2.876 2.355 3.656 0.066 13 0 "[ . 1 . 2]" 1
1188 1 129 ASP H 1 129 ASP HB3 . . 3.590 2.785 2.351 3.645 0.055 9 0 "[ . 1 . 2]" 1
1189 1 128 PHE HB3 1 130 LEU H . . 5.400 5.343 4.442 5.475 0.075 6 0 "[ . 1 . 2]" 1
1190 1 129 ASP HB3 1 130 LEU H . . 4.570 3.934 3.275 4.525 . 0 0 "[ . 1 . 2]" 1
1191 1 13 ILE MD 1 69 TYR QE . . 3.550 3.433 3.013 3.636 0.086 15 0 "[ . 1 . 2]" 1
1192 1 13 ILE MG 1 69 TYR QE . . 3.240 2.797 2.272 3.178 . 0 0 "[ . 1 . 2]" 1
1193 1 68 ALA MB 1 69 TYR QE . . 4.030 4.031 3.591 4.132 0.102 16 0 "[ . 1 . 2]" 1
1194 1 69 TYR QE 1 112 THR MG . . 4.380 3.191 2.317 4.289 . 0 0 "[ . 1 . 2]" 1
1195 1 126 THR MG 1 127 TYR QE . . 3.800 3.507 3.110 3.879 0.079 6 0 "[ . 1 . 2]" 1
1196 1 113 THR MG 1 116 HIS HD2 . . 3.850 3.256 2.651 3.924 0.074 16 0 "[ . 1 . 2]" 1
1197 1 65 ALA MB 1 118 TRP HZ3 . . 4.560 4.371 3.865 4.639 0.079 3 0 "[ . 1 . 2]" 1
1198 1 66 LEU MD2 1 118 TRP HH2 . . 4.050 3.543 3.219 4.097 0.047 10 0 "[ . 1 . 2]" 1
1199 1 45 HIS HD2 1 59 ILE MG . . 3.260 2.578 2.166 2.982 . 0 0 "[ . 1 . 2]" 1
1200 1 45 HIS HD2 1 46 THR MG . . 3.220 2.223 2.017 2.638 . 0 0 "[ . 1 . 2]" 1
1201 1 45 HIS HD2 1 63 LEU QD . . 5.280 4.927 4.658 5.317 0.037 10 0 "[ . 1 . 2]" 1
1202 1 45 HIS HD2 1 49 CYS HB2 . . 5.370 4.672 3.363 5.202 . 0 0 "[ . 1 . 2]" 1
1203 1 46 THR MG 1 83 PHE QE . . 3.810 3.504 2.739 3.838 0.028 15 0 "[ . 1 . 2]" 1
1204 1 63 LEU QD 1 83 PHE QE . . 3.090 2.686 2.455 2.873 . 0 0 "[ . 1 . 2]" 1
1205 1 64 ILE HB 1 83 PHE QE . . 4.720 4.661 4.513 4.790 0.070 11 0 "[ . 1 . 2]" 1
1206 1 64 ILE QG 1 83 PHE QE . . 4.470 2.627 2.399 3.560 . 0 0 "[ . 1 . 2]" 1
1207 1 59 ILE MG 1 128 PHE QE . . 4.190 3.872 2.873 4.279 0.089 6 0 "[ . 1 . 2]" 1
1208 1 42 VAL MG1 1 128 PHE QE . . 3.810 2.950 2.192 3.873 0.063 18 0 "[ . 1 . 2]" 1
1209 1 63 LEU QD 1 128 PHE QE . . 3.690 3.613 3.207 3.804 0.114 11 0 "[ . 1 . 2]" 1
1210 1 66 LEU MD2 1 128 PHE QE . . 4.340 3.302 2.165 4.432 0.092 3 0 "[ . 1 . 2]" 1
1211 1 112 THR MG 1 114 PHE QE . . 4.070 2.568 2.208 2.777 . 0 0 "[ . 1 . 2]" 1
1212 1 13 ILE MG 1 114 PHE QE . . 4.290 3.184 2.716 3.483 . 0 0 "[ . 1 . 2]" 1
1213 1 59 ILE MG 1 128 PHE QD . . 4.280 4.208 3.706 4.381 0.101 18 0 "[ . 1 . 2]" 1
1214 1 69 TYR QD 1 72 LYS QD . . 5.030 4.817 4.373 5.116 0.086 17 0 "[ . 1 . 2]" 1
1215 1 69 TYR QD 1 72 LYS QE . . 3.970 3.127 2.296 3.888 . 0 0 "[ . 1 . 2]" 1
1216 1 13 ILE MD 1 69 TYR QD . . 4.500 4.576 4.463 4.599 0.099 17 0 "[ . 1 . 2]" 1
1217 1 121 LEU QD 1 127 TYR QD . . 4.560 3.951 3.099 4.671 0.111 14 0 "[ . 1 . 2]" 1
1218 1 67 ALA MB 1 83 PHE QD . . 3.670 3.504 3.190 3.671 0.001 1 0 "[ . 1 . 2]" 1
1219 1 70 HIS HD2 1 71 ALA MB . . 3.700 3.623 3.285 3.783 0.083 14 0 "[ . 1 . 2]" 1
1220 1 64 ILE QG 1 83 PHE QD . . 4.100 2.052 1.958 2.302 . 0 0 "[ . 1 . 2]" 1
1221 1 127 TYR QD 1 128 PHE QE . . 4.090 3.675 3.253 4.039 . 0 0 "[ . 1 . 2]" 1
1222 1 112 THR HA 1 114 PHE QE . . 4.220 3.249 2.622 3.838 . 0 0 "[ . 1 . 2]" 1
1223 1 114 PHE QE 1 115 GLU H . . 4.420 4.083 3.638 4.400 . 0 0 "[ . 1 . 2]" 1
1224 1 128 PHE H 1 128 PHE QD . . 3.760 3.729 3.323 3.851 0.091 19 0 "[ . 1 . 2]" 1
1225 1 128 PHE QD 1 129 ASP H . . 3.740 3.021 2.367 3.616 . 0 0 "[ . 1 . 2]" 1
1226 1 13 ILE MG 1 114 PHE HZ . . 4.380 2.569 2.265 3.039 . 0 0 "[ . 1 . 2]" 1
1227 1 112 THR MG 1 114 PHE HZ . . 4.540 4.459 4.062 4.608 0.068 15 0 "[ . 1 . 2]" 1
1228 1 112 THR HB 1 114 PHE HZ . . 5.140 5.019 4.541 5.207 0.067 12 0 "[ . 1 . 2]" 1
1229 1 66 LEU HA 1 114 PHE HZ . . 4.600 4.338 3.654 4.668 0.068 10 0 "[ . 1 . 2]" 1
1230 1 63 LEU QD 1 128 PHE HZ . . 3.750 3.466 2.402 3.847 0.097 13 0 "[ . 1 . 2]" 1
1231 1 16 ALA MB 1 128 PHE HZ . . 5.360 4.945 4.446 5.438 0.078 3 0 "[ . 1 . 2]" 1
1232 1 20 LEU HG 1 128 PHE HZ . . 5.500 4.371 2.908 5.274 . 0 0 "[ . 1 . 2]" 1
1233 1 39 MET ME 1 128 PHE HZ . . 4.350 3.665 2.955 4.392 0.042 3 0 "[ . 1 . 2]" 1
1234 1 66 LEU QB 1 128 PHE HZ . . 4.580 3.397 2.515 4.030 . 0 0 "[ . 1 . 2]" 1
1235 1 59 ILE MD 1 127 TYR QD . . 4.350 3.267 2.753 4.128 . 0 0 "[ . 1 . 2]" 1
1236 1 59 ILE MD 1 127 TYR QE . . 4.180 3.481 2.912 4.254 0.074 9 0 "[ . 1 . 2]" 1
1237 1 59 ILE QG 1 127 TYR QE . . 3.870 2.918 2.454 3.547 . 0 0 "[ . 1 . 2]" 1
1238 1 121 LEU QD 1 127 TYR QE . . 3.670 2.646 2.077 3.183 . 0 0 "[ . 1 . 2]" 1
1239 1 13 ILE MG 1 118 TRP HZ2 . . 4.650 4.642 4.230 4.726 0.076 20 0 "[ . 1 . 2]" 1
1240 1 66 LEU HA 1 118 TRP HZ2 . . 4.390 4.280 3.783 4.455 0.065 13 0 "[ . 1 . 2]" 1
1241 1 65 ALA MB 1 118 TRP HZ2 . . 3.900 3.751 3.082 3.975 0.075 17 0 "[ . 1 . 2]" 1
1242 1 127 TYR H 1 127 TYR QE . . 4.060 3.953 3.666 4.125 0.065 2 0 "[ . 1 . 2]" 1
1243 1 125 SER H 1 127 TYR QE . . 5.250 5.009 4.195 5.323 0.073 16 0 "[ . 1 . 2]" 1
1244 1 122 GLU H 1 127 TYR QE . . 4.990 4.327 3.543 5.064 0.074 3 0 "[ . 1 . 2]" 1
1245 1 126 THR H 1 127 TYR QE . . 5.250 4.264 3.326 4.972 . 0 0 "[ . 1 . 2]" 1
1246 1 59 ILE HA 1 127 TYR QE . . 4.000 3.587 3.142 4.060 0.060 20 0 "[ . 1 . 2]" 1
1247 1 127 TYR QE 1 128 PHE HB3 . . 4.900 4.688 4.167 4.958 0.058 7 0 "[ . 1 . 2]" 1
1248 1 62 GLN QB 1 127 TYR QE . . 4.670 4.029 2.900 4.755 0.085 17 0 "[ . 1 . 2]" 1
1249 1 121 LEU HG 1 127 TYR QE . . 4.140 3.693 2.548 4.226 0.086 17 0 "[ . 1 . 2]" 1
1250 1 17 ILE MD 1 69 TYR QE . . 3.940 3.899 3.639 4.026 0.086 13 0 "[ . 1 . 2]" 1
1251 1 13 ILE HB 1 69 TYR QE . . 4.900 4.810 4.347 4.978 0.078 19 0 "[ . 1 . 2]" 1
1252 1 69 TYR QE 1 72 LYS QE . . 4.390 3.843 3.340 4.449 0.059 10 0 "[ . 1 . 2]" 1
1253 1 69 TYR QE 1 112 THR HA . . 5.030 4.707 3.954 5.102 0.072 12 0 "[ . 1 . 2]" 1
1254 1 69 TYR H 1 69 TYR QE . . 5.020 4.818 4.308 5.066 0.046 15 0 "[ . 1 . 2]" 1
1255 1 116 HIS HD2 1 117 LEU H . . 4.300 3.502 3.131 3.979 . 0 0 "[ . 1 . 2]" 1
1256 1 114 PHE H 1 116 HIS HD2 . . 4.500 4.479 4.225 4.568 0.068 20 0 "[ . 1 . 2]" 1
1257 1 116 HIS QB 1 116 HIS HD2 . . 3.010 2.760 2.666 2.961 . 0 0 "[ . 1 . 2]" 1
1258 1 116 HIS HD2 1 117 LEU HB2 . . 5.150 5.161 4.849 5.216 0.066 18 0 "[ . 1 . 2]" 1
1259 1 116 HIS HD2 1 117 LEU HG . . 5.290 5.130 4.794 5.346 0.056 16 0 "[ . 1 . 2]" 1
1260 1 118 TRP H 1 118 TRP HE3 . . 4.520 4.304 3.838 4.505 . 0 0 "[ . 1 . 2]" 1
1261 1 118 TRP HA 1 118 TRP HE3 . . 3.260 2.275 2.095 2.527 . 0 0 "[ . 1 . 2]" 1
1262 1 118 TRP HB3 1 118 TRP HE3 . . 3.420 3.168 3.015 3.293 . 0 0 "[ . 1 . 2]" 1
1263 1 118 TRP HE3 1 121 LEU QB . . 4.130 3.065 2.349 4.184 0.054 20 0 "[ . 1 . 2]" 1
1264 1 117 LEU HB3 1 118 TRP HE3 . . 5.080 4.861 4.013 5.145 0.065 19 0 "[ . 1 . 2]" 1
1265 1 118 TRP HE3 1 121 LEU QD . . 3.560 2.202 2.004 2.754 . 0 0 "[ . 1 . 2]" 1
1266 1 72 LYS QD 1 73 HIS HD2 . . 3.860 3.562 2.791 3.927 0.067 4 0 "[ . 1 . 2]" 1
1267 1 72 LYS HB2 1 73 HIS HD2 . . 4.240 3.903 3.237 4.291 0.051 20 0 "[ . 1 . 2]" 1
1268 1 72 LYS HG3 1 73 HIS HD2 . . 4.330 3.116 2.774 3.366 . 0 0 "[ . 1 . 2]" 1
1269 1 72 LYS HG2 1 73 HIS HD2 . . 5.020 4.846 4.500 5.082 0.062 4 0 "[ . 1 . 2]" 1
1270 1 118 TRP HB3 1 118 TRP HZ3 . . 5.500 5.493 5.376 5.559 0.059 8 0 "[ . 1 . 2]" 1
1271 1 62 GLN QG 1 118 TRP HZ3 . . 4.530 3.196 2.341 3.980 . 0 0 "[ . 1 . 2]" 1
1272 1 118 TRP HZ3 1 121 LEU QD . . 3.680 2.791 2.252 3.763 0.083 8 0 "[ . 1 . 2]" 1
1273 1 66 LEU HA 1 118 TRP HH2 . . 4.920 4.773 4.080 4.981 0.061 3 0 "[ . 1 . 2]" 1
1274 1 65 ALA MB 1 118 TRP HH2 . . 3.710 3.125 2.511 3.616 . 0 0 "[ . 1 . 2]" 1
1275 1 66 LEU MD1 1 118 TRP HH2 . . 4.050 3.158 2.240 4.023 . 0 0 "[ . 1 . 2]" 1
1276 1 118 TRP H 1 118 TRP HD1 . . 3.430 3.397 3.180 3.490 0.060 8 0 "[ . 1 . 2]" 1
1277 1 118 TRP HB2 1 118 TRP HD1 . . 3.220 2.469 2.354 2.526 . 0 0 "[ . 1 . 2]" 1
1278 1 118 TRP HB3 1 118 TRP HD1 . . 3.640 3.435 3.388 3.501 . 0 0 "[ . 1 . 2]" 1
1279 1 45 HIS HD2 1 46 THR H . . 3.870 2.989 2.643 3.292 . 0 0 "[ . 1 . 2]" 1
1280 1 45 HIS H 1 45 HIS HD2 . . 5.150 4.658 4.489 4.828 . 0 0 "[ . 1 . 2]" 1
1281 1 45 HIS HD2 1 60 CYS H . . 4.520 4.512 4.252 4.595 0.075 8 0 "[ . 1 . 2]" 1
1282 1 45 HIS HD2 1 46 THR HA . . 3.540 3.300 2.713 3.562 0.022 20 0 "[ . 1 . 2]" 1
1283 1 45 HIS HB3 1 45 HIS HD2 . . 3.440 2.660 2.592 2.818 . 0 0 "[ . 1 . 2]" 1
1284 1 45 HIS HD2 1 49 CYS HB3 . . 5.370 5.345 4.271 5.437 0.067 20 0 "[ . 1 . 2]" 1
1285 1 45 HIS HD2 1 59 ILE HB . . 3.970 3.026 2.651 3.493 . 0 0 "[ . 1 . 2]" 1
1286 1 45 HIS HD2 1 59 ILE MD . . 4.390 3.508 2.837 4.202 . 0 0 "[ . 1 . 2]" 1
1287 1 46 THR HB 1 83 PHE HZ . . 3.900 2.856 2.397 3.466 . 0 0 "[ . 1 . 2]" 1
1288 1 52 LYS QE 1 83 PHE HZ . . 4.180 2.680 2.012 4.233 0.053 3 0 "[ . 1 . 2]" 1
1289 1 46 THR MG 1 83 PHE HZ . . 4.030 3.670 3.173 4.095 0.065 9 0 "[ . 1 . 2]" 1
1290 1 63 LEU QD 1 83 PHE HZ . . 3.950 3.562 3.359 3.837 . 0 0 "[ . 1 . 2]" 1
1291 1 64 ILE MD 1 83 PHE HZ . . 4.120 4.032 3.699 4.185 0.065 15 0 "[ . 1 . 2]" 1
1292 1 70 HIS HD2 1 84 CYS HB2 . . 2.940 2.594 2.191 2.993 0.053 17 0 "[ . 1 . 2]" 1
1293 1 19 SER HA 1 22 HIS HD2 . . 4.090 3.678 3.327 4.120 0.030 15 0 "[ . 1 . 2]" 1
1294 1 64 ILE H 1 83 PHE QE . . 4.270 3.843 3.625 4.094 . 0 0 "[ . 1 . 2]" 1
1295 1 46 THR HB 1 83 PHE QE . . 3.760 3.156 2.483 3.812 0.052 7 0 "[ . 1 . 2]" 1
1296 1 64 ILE HA 1 83 PHE QE . . 5.140 4.846 4.624 5.006 . 0 0 "[ . 1 . 2]" 1
1297 1 52 LYS QE 1 83 PHE QE . . 3.940 3.333 2.607 4.016 0.076 14 0 "[ . 1 . 2]" 1
1298 1 63 LEU HG 1 83 PHE QE . . 4.290 3.833 3.568 4.122 . 0 0 "[ . 1 . 2]" 1
1299 1 63 LEU QB 1 83 PHE QE . . 3.240 2.788 2.518 3.124 . 0 0 "[ . 1 . 2]" 1
1300 1 64 ILE MD 1 83 PHE QE . . 3.690 2.745 2.016 3.016 . 0 0 "[ . 1 . 2]" 1
1301 1 128 PHE QE 1 129 ASP H . . 5.080 4.904 4.478 5.164 0.084 13 0 "[ . 1 . 2]" 1
1302 1 127 TYR QE 1 128 PHE QE . . 4.460 4.354 3.865 4.548 0.088 16 0 "[ . 1 . 2]" 1
1303 1 128 PHE HA 1 128 PHE QE . . 4.610 4.323 4.112 4.467 . 0 0 "[ . 1 . 2]" 1
1304 1 39 MET ME 1 128 PHE QE . . 3.840 3.061 2.077 3.731 . 0 0 "[ . 1 . 2]" 1
1305 1 66 LEU QB 1 128 PHE QE . . 4.290 3.795 3.078 4.371 0.081 15 0 "[ . 1 . 2]" 1
1306 1 16 ALA MB 1 128 PHE QE . . 3.990 3.761 2.732 4.072 0.082 16 0 "[ . 1 . 2]" 1
1307 1 20 LEU HG 1 128 PHE QE . . 4.470 4.079 3.127 4.555 0.085 6 0 "[ . 1 . 2]" 1
1308 1 42 VAL MG2 1 128 PHE QE . . 3.810 2.915 2.107 3.869 0.059 2 0 "[ . 1 . 2]" 1
1309 1 66 LEU MD1 1 128 PHE QE . . 4.340 2.984 2.021 4.327 . 0 0 "[ . 1 . 2]" 1
1310 1 112 THR HB 1 114 PHE QE . . 4.210 2.906 2.414 3.432 . 0 0 "[ . 1 . 2]" 1
1311 1 66 LEU HA 1 114 PHE QE . . 4.300 3.464 2.409 4.371 0.071 3 0 "[ . 1 . 2]" 1
1312 1 13 ILE HB 1 114 PHE QE . . 5.290 5.099 4.714 5.332 0.042 1 0 "[ . 1 . 2]" 1
1313 1 65 ALA MB 1 114 PHE QE . . 3.710 3.081 2.222 3.806 0.096 3 0 "[ . 1 . 2]" 1
1314 1 13 ILE MD 1 114 PHE QE . . 3.940 2.331 1.984 2.653 . 0 0 "[ . 1 . 2]" 1
1315 1 114 PHE H 1 114 PHE QD . . 3.570 2.317 2.127 2.559 . 0 0 "[ . 1 . 2]" 1
1316 1 114 PHE QD 1 115 GLU H . . 4.010 2.920 2.556 3.269 . 0 0 "[ . 1 . 2]" 1
1317 1 83 PHE H 1 83 PHE QD . . 3.690 2.721 2.383 3.006 . 0 0 "[ . 1 . 2]" 1
1318 1 127 TYR QE 1 128 PHE QD . . 4.340 3.199 2.305 3.832 . 0 0 "[ . 1 . 2]" 1
1319 1 128 PHE HA 1 128 PHE QD . . 3.020 2.514 2.242 2.826 . 0 0 "[ . 1 . 2]" 1
1320 1 127 TYR HB2 1 128 PHE QD . . 4.050 3.787 3.080 4.128 0.078 18 0 "[ . 1 . 2]" 1
1321 1 39 MET ME 1 128 PHE QD . . 4.080 3.719 2.544 4.137 0.057 1 0 "[ . 1 . 2]" 1
1322 1 16 ALA MB 1 128 PHE QD . . 4.740 4.342 3.554 4.817 0.077 17 0 "[ . 1 . 2]" 1
1323 1 59 ILE MD 1 128 PHE QD . . 5.500 5.298 4.748 5.573 0.073 19 0 "[ . 1 . 2]" 1
1324 1 112 THR H 1 114 PHE QD . . 5.500 5.052 4.560 5.352 . 0 0 "[ . 1 . 2]" 1
1325 1 112 THR HA 1 114 PHE QD . . 3.060 2.505 2.227 3.117 0.057 6 0 "[ . 1 . 2]" 1
1326 1 114 PHE QD 1 115 GLU QG . . 4.860 3.957 2.861 4.875 0.015 16 0 "[ . 1 . 2]" 1
1327 1 65 ALA MB 1 114 PHE QD . . 4.230 2.634 2.099 3.614 . 0 0 "[ . 1 . 2]" 1
1328 1 114 PHE QD 1 117 LEU HB2 . . 4.740 4.174 3.646 4.788 0.048 6 0 "[ . 1 . 2]" 1
1329 1 114 PHE QD 1 117 LEU MD1 . . 4.110 3.599 3.056 3.817 . 0 0 "[ . 1 . 2]" 1
1330 1 13 ILE MD 1 114 PHE QD . . 4.380 4.146 3.835 4.408 0.028 15 0 "[ . 1 . 2]" 1
1331 1 83 PHE HA 1 83 PHE QD . . 3.060 2.673 2.322 2.983 . 0 0 "[ . 1 . 2]" 1
1332 1 82 PRO HA 1 83 PHE QD . . 4.990 4.859 4.689 5.054 0.064 15 0 "[ . 1 . 2]" 1
1333 1 64 ILE HA 1 83 PHE QD . . 3.120 3.161 2.997 3.188 0.068 15 0 "[ . 1 . 2]" 1
1334 1 83 PHE QD 1 86 ASN QB . . 4.280 3.991 3.442 4.358 0.078 15 0 "[ . 1 . 2]" 1
1335 1 63 LEU HG 1 83 PHE QD . . 3.660 2.404 2.125 2.766 . 0 0 "[ . 1 . 2]" 1
1336 1 63 LEU QB 1 83 PHE QD . . 3.300 3.114 2.851 3.383 0.083 9 0 "[ . 1 . 2]" 1
1337 1 82 PRO QB 1 83 PHE QD . . 2.970 3.019 2.896 3.048 0.078 15 0 "[ . 1 . 2]" 1
1338 1 63 LEU QD 1 83 PHE QD . . 3.350 2.673 2.536 2.835 . 0 0 "[ . 1 . 2]" 1
1339 1 83 PHE QD 1 87 ILE MD . . 3.990 3.826 3.450 4.065 0.075 18 0 "[ . 1 . 2]" 1
1340 1 64 ILE MD 1 83 PHE QD . . 3.590 3.248 2.472 3.456 . 0 0 "[ . 1 . 2]" 1
1341 1 127 TYR H 1 127 TYR QD . . 3.150 2.485 1.924 2.894 . 0 0 "[ . 1 . 2]" 1
1342 1 126 THR H 1 127 TYR QD . . 4.180 3.602 3.079 4.241 0.061 4 0 "[ . 1 . 2]" 1
1343 1 127 TYR QD 1 128 PHE HA . . 4.320 4.254 3.745 4.399 0.079 8 0 "[ . 1 . 2]" 1
1344 1 126 THR HB 1 127 TYR QD . . 4.800 4.480 2.305 4.861 0.061 17 0 "[ . 1 . 2]" 1
1345 1 59 ILE HA 1 127 TYR QD . . 5.040 4.723 3.481 5.107 0.067 19 0 "[ . 1 . 2]" 1
1346 1 126 THR MG 1 127 TYR QD . . 3.730 2.196 1.909 2.541 . 0 0 "[ . 1 . 2]" 1
1347 1 127 TYR QD 1 128 PHE QD . . 3.830 2.179 1.962 2.535 . 0 0 "[ . 1 . 2]" 1
1348 1 68 ALA MB 1 69 TYR QD . . 3.510 2.938 2.700 3.595 0.085 19 0 "[ . 1 . 2]" 1
1349 1 17 ILE QG 1 69 TYR QD . . 4.080 3.906 3.290 4.123 0.043 5 0 "[ . 1 . 2]" 1
1350 1 17 ILE MG 1 69 TYR QD . . 4.340 4.432 4.389 4.452 0.112 12 0 "[ . 1 . 2]" 1
1351 1 17 ILE MD 1 69 TYR QD . . 3.000 2.307 2.020 2.862 . 0 0 "[ . 1 . 2]" 1
1352 1 13 ILE MG 1 69 TYR QD . . 3.090 2.752 2.520 3.166 0.076 4 0 "[ . 1 . 2]" 1
1353 1 72 LYS QE 1 73 HIS HE1 . . 4.000 3.296 2.495 4.078 0.078 8 0 "[ . 1 . 2]" 1
1354 1 72 LYS QD 1 73 HIS HE1 . . 4.490 4.217 3.169 4.568 0.078 12 0 "[ . 1 . 2]" 1
1355 1 72 LYS HG2 1 73 HIS HE1 . . 5.240 5.076 4.590 5.297 0.057 16 0 "[ . 1 . 2]" 1
1356 1 72 LYS HG3 1 73 HIS HE1 . . 4.480 4.041 3.615 4.354 . 0 0 "[ . 1 . 2]" 1
1357 1 116 HIS QB 1 116 HIS HE1 . . 4.480 4.460 4.374 4.513 0.033 17 0 "[ . 1 . 2]" 1
1358 1 22 HIS HA 1 22 HIS HE1 . . 5.220 4.939 4.728 5.256 0.036 3 0 "[ . 1 . 2]" 1
1359 1 22 HIS HE1 1 26 CYS HA . . 3.970 3.381 2.619 4.028 0.058 3 0 "[ . 1 . 2]" 1
1360 1 22 HIS QB 1 22 HIS HE1 . . 4.710 4.599 4.517 4.675 . 0 0 "[ . 1 . 2]" 1
1361 1 22 HIS HE1 1 26 CYS HB3 . . 4.710 4.692 4.334 4.771 0.061 20 0 "[ . 1 . 2]" 1
1362 1 22 HIS HE1 1 26 CYS HB2 . . 3.530 3.193 2.857 3.335 . 0 0 "[ . 1 . 2]" 1
1363 1 45 HIS HA 1 45 HIS HE1 . . 5.230 5.247 5.103 5.291 0.061 12 0 "[ . 1 . 2]" 1
1364 1 70 HIS HE1 1 74 CYS HA . . 4.430 3.599 2.671 4.479 0.049 19 0 "[ . 1 . 2]" 1
1365 1 70 HIS HB2 1 70 HIS HE1 . . 4.980 4.909 4.819 5.005 0.025 11 0 "[ . 1 . 2]" 1
1366 1 70 HIS HE1 1 74 CYS HB2 . . 3.710 3.486 2.910 3.770 0.060 19 0 "[ . 1 . 2]" 1
1367 1 21 VAL QG 1 70 HIS HE1 . . 3.460 2.793 2.223 3.526 0.066 16 0 "[ . 1 . 2]" 1
1368 1 45 HIS HB2 1 45 HIS HE1 . . 4.810 4.845 4.806 4.862 0.052 5 0 "[ . 1 . 2]" 1
1369 1 3 GLN H 1 3 GLN QB . . 3.640 2.834 2.156 3.300 . 0 0 "[ . 1 . 2]" 1
1370 1 9 ARG H 1 9 ARG QG . . 3.680 2.371 2.059 3.743 0.063 13 0 "[ . 1 . 2]" 1
1371 1 9 ARG HA 1 9 ARG QG . . 3.410 2.895 2.197 3.434 0.024 7 0 "[ . 1 . 2]" 1
1372 1 9 ARG QG 1 13 ILE MD . . 5.090 4.061 3.009 5.015 . 0 0 "[ . 1 . 2]" 1
1373 1 11 LEU QB 1 12 SER QB . . 4.460 4.203 3.767 4.544 0.084 3 0 "[ . 1 . 2]" 1
1374 1 12 SER H 1 12 SER QB . . 3.090 2.376 2.092 2.702 . 0 0 "[ . 1 . 2]" 1
1375 1 12 SER HA 1 12 SER QB . . 2.580 2.360 2.160 2.502 . 0 0 "[ . 1 . 2]" 1
1376 1 12 SER QB 1 13 ILE H . . 3.410 2.519 2.275 3.267 . 0 0 "[ . 1 . 2]" 1
1377 1 12 SER QB 1 13 ILE HG12 . . 5.040 4.730 4.381 5.097 0.057 20 0 "[ . 1 . 2]" 1
1378 1 13 ILE MG 1 66 LEU QD . . 2.920 2.309 2.037 2.590 . 0 0 "[ . 1 . 2]" 1
1379 1 16 ALA H 1 66 LEU QD . . 5.440 4.271 4.112 4.829 . 0 0 "[ . 1 . 2]" 1
1380 1 16 ALA MB 1 66 LEU QD . . 2.810 2.097 1.937 2.570 . 0 0 "[ . 1 . 2]" 1
1381 1 17 ILE HA 1 20 LEU QD . . 3.900 3.486 2.803 3.978 0.078 15 0 "[ . 1 . 2]" 1
1382 1 17 ILE HB 1 66 LEU QD . . 4.410 4.094 3.970 4.361 . 0 0 "[ . 1 . 2]" 1
1383 1 17 ILE MG 1 18 GLN QG . . 4.050 3.357 3.036 3.700 . 0 0 "[ . 1 . 2]" 1
1384 1 18 GLN H 1 18 GLN QG . . 3.130 2.374 2.210 2.575 . 0 0 "[ . 1 . 2]" 1
1385 1 20 LEU H 1 20 LEU QD . . 4.170 3.718 3.566 3.806 . 0 0 "[ . 1 . 2]" 1
1386 1 20 LEU HA 1 20 LEU QD . . 2.840 2.478 2.050 2.937 0.097 3 0 "[ . 1 . 2]" 1
1387 1 20 LEU HB2 1 66 LEU QD . . 4.050 3.213 2.302 4.131 0.081 18 0 "[ . 1 . 2]" 1
1388 1 20 LEU HB3 1 20 LEU QD . . 2.780 2.152 2.011 2.198 . 0 0 "[ . 1 . 2]" 1
1389 1 20 LEU QD 1 21 VAL H . . 4.320 3.514 3.016 3.787 . 0 0 "[ . 1 . 2]" 1
1390 1 20 LEU QD 1 24 ALA MB . . 3.990 3.063 2.541 4.103 0.113 3 0 "[ . 1 . 2]" 1
1391 1 20 LEU QD 1 39 MET ME . . 3.190 2.372 1.999 2.966 . 0 0 "[ . 1 . 2]" 1
1392 1 20 LEU QD 1 63 LEU QD . . 2.740 1.740 1.697 1.823 . 0 0 "[ . 1 . 2]" 1
1393 1 20 LEU QD 1 66 LEU H . . 4.840 4.369 3.679 4.915 0.075 10 0 "[ . 1 . 2]" 1
1394 1 20 LEU QD 1 66 LEU QB . . 3.380 2.539 1.927 3.010 . 0 0 "[ . 1 . 2]" 1
1395 1 20 LEU QD 1 67 ALA H . . 4.150 3.736 2.918 4.215 0.065 10 0 "[ . 1 . 2]" 1
1396 1 20 LEU QD 1 67 ALA HA . . 4.690 3.882 2.527 4.571 . 0 0 "[ . 1 . 2]" 1
1397 1 20 LEU QD 1 128 PHE QE . . 4.920 2.651 1.926 3.500 . 0 0 "[ . 1 . 2]" 1
1398 1 21 VAL QG 1 80 PRO QG . . 4.740 3.915 3.113 4.829 0.089 2 0 "[ . 1 . 2]" 1
1399 1 21 VAL QG 1 80 PRO QD . . 5.350 4.441 3.676 5.282 . 0 0 "[ . 1 . 2]" 1
1400 1 23 ALA HA 1 40 LYS QE . . 3.940 2.753 2.106 3.927 . 0 0 "[ . 1 . 2]" 1
1401 1 24 ALA MB 1 25 GLN QB . . 4.950 3.726 3.509 3.917 . 0 0 "[ . 1 . 2]" 1
1402 1 24 ALA MB 1 82 PRO QD . . 3.550 3.398 3.231 3.596 0.046 20 0 "[ . 1 . 2]" 1
1403 1 25 GLN H 1 25 GLN QB . . 3.170 3.005 2.891 3.181 0.011 12 0 "[ . 1 . 2]" 1
1404 1 26 CYS H 1 40 LYS QE . . 4.660 4.010 3.396 4.528 . 0 0 "[ . 1 . 2]" 1
1405 1 26 CYS HA 1 40 LYS QE . . 5.250 4.471 4.103 4.773 . 0 0 "[ . 1 . 2]" 1
1406 1 26 CYS HB2 1 40 LYS QE . . 4.310 3.221 2.750 4.305 . 0 0 "[ . 1 . 2]" 1
1407 1 27 ARG H 1 28 ASN QB . . 4.850 4.082 3.550 4.460 . 0 0 "[ . 1 . 2]" 1
1408 1 28 ASN H 1 28 ASN QB . . 2.860 2.431 2.246 2.708 . 0 0 "[ . 1 . 2]" 1
1409 1 29 ALA MB 1 30 ASN QB . . 4.690 4.079 3.721 4.438 . 0 0 "[ . 1 . 2]" 1
1410 1 30 ASN H 1 30 ASN QB . . 2.770 2.217 2.111 2.378 . 0 0 "[ . 1 . 2]" 1
1411 1 32 SER QB 1 33 LEU H . . 4.130 3.773 3.573 4.044 . 0 0 "[ . 1 . 2]" 1
1412 1 33 LEU H 1 34 PRO QD . . 4.420 4.291 4.157 4.397 . 0 0 "[ . 1 . 2]" 1
1413 1 34 PRO QB 1 36 CYS H . . 5.240 5.099 4.885 5.286 0.046 7 0 "[ . 1 . 2]" 1
1414 1 35 SER HA 1 35 SER QB . . 2.650 2.233 2.131 2.444 . 0 0 "[ . 1 . 2]" 1
1415 1 35 SER QB 1 38 LYS HD3 . . 4.040 3.711 3.436 4.083 0.043 7 0 "[ . 1 . 2]" 1
1416 1 35 SER QB 1 39 MET HG2 . . 3.970 3.530 3.262 3.951 . 0 0 "[ . 1 . 2]" 1
1417 1 35 SER QB 1 39 MET HG3 . . 3.990 3.881 3.548 4.050 0.060 16 0 "[ . 1 . 2]" 1
1418 1 35 SER QB 1 39 MET ME . . 3.980 3.818 3.318 4.064 0.084 12 0 "[ . 1 . 2]" 1
1419 1 36 CYS H 1 37 GLN QG . . 4.470 4.367 3.695 4.537 0.067 10 0 "[ . 1 . 2]" 1
1420 1 37 GLN H 1 37 GLN QB . . 3.070 2.444 2.274 2.613 . 0 0 "[ . 1 . 2]" 1
1421 1 37 GLN H 1 37 GLN QG . . 3.120 2.258 2.121 2.545 . 0 0 "[ . 1 . 2]" 1
1422 1 37 GLN HA 1 37 GLN QG . . 3.610 2.998 2.149 3.540 . 0 0 "[ . 1 . 2]" 1
1423 1 37 GLN HA 1 40 LYS QE . . 4.830 3.796 2.634 4.892 0.062 5 0 "[ . 1 . 2]" 1
1424 1 37 GLN QB 1 38 LYS H . . 3.940 2.987 2.424 3.759 . 0 0 "[ . 1 . 2]" 1
1425 1 37 GLN QG 1 38 LYS H . . 4.150 3.325 2.191 4.171 0.021 7 0 "[ . 1 . 2]" 1
1426 1 38 LYS QG 1 42 VAL QG . . 4.370 4.124 3.695 4.471 0.101 3 0 "[ . 1 . 2]" 1
1427 1 39 MET H 1 42 VAL QG . . 4.810 4.369 4.037 4.760 . 0 0 "[ . 1 . 2]" 1
1428 1 39 MET HA 1 42 VAL QG . . 3.380 2.150 1.972 2.574 . 0 0 "[ . 1 . 2]" 1
1429 1 39 MET HB3 1 42 VAL QG . . 4.070 3.547 3.217 4.118 0.048 20 0 "[ . 1 . 2]" 1
1430 1 39 MET HG2 1 42 VAL QG . . 5.040 4.214 3.921 4.553 . 0 0 "[ . 1 . 2]" 1
1431 1 39 MET HG3 1 42 VAL QG . . 4.960 4.571 4.362 5.020 0.060 20 0 "[ . 1 . 2]" 1
1432 1 39 MET ME 1 42 VAL QG . . 3.910 3.763 3.476 4.034 0.124 20 0 "[ . 1 . 2]" 1
1433 1 39 MET ME 1 66 LEU QD . . 3.910 3.019 2.581 3.471 . 0 0 "[ . 1 . 2]" 1
1434 1 40 LYS H 1 40 LYS QB . . 3.250 2.508 2.073 2.794 . 0 0 "[ . 1 . 2]" 1
1435 1 40 LYS HA 1 40 LYS QE . . 5.300 4.169 3.967 4.394 . 0 0 "[ . 1 . 2]" 1
1436 1 40 LYS QB 1 40 LYS QE . . 4.340 3.783 2.613 3.968 . 0 0 "[ . 1 . 2]" 1
1437 1 40 LYS QB 1 41 ARG H . . 3.970 2.798 2.556 3.045 . 0 0 "[ . 1 . 2]" 1
1438 1 40 LYS QE 1 40 LYS QG . . 3.420 2.311 2.120 2.490 . 0 0 "[ . 1 . 2]" 1
1439 1 41 ARG H 1 42 VAL QG . . 4.280 3.762 3.525 4.023 . 0 0 "[ . 1 . 2]" 1
1440 1 41 ARG HA 1 42 VAL QG . . 4.930 4.699 4.469 4.963 0.033 6 0 "[ . 1 . 2]" 1
1441 1 41 ARG HA 1 44 GLN QB . . 3.320 2.590 2.203 2.973 . 0 0 "[ . 1 . 2]" 1
1442 1 41 ARG HB2 1 42 VAL QG . . 4.130 3.283 2.862 4.213 0.083 6 0 "[ . 1 . 2]" 1
1443 1 41 ARG HB3 1 42 VAL QG . . 4.740 4.200 3.613 4.791 0.051 3 0 "[ . 1 . 2]" 1
1444 1 42 VAL H 1 42 VAL QG . . 2.980 1.936 1.775 2.150 . 0 0 "[ . 1 . 2]" 1
1445 1 42 VAL HA 1 42 VAL QG . . 2.960 2.223 2.058 2.503 . 0 0 "[ . 1 . 2]" 1
1446 1 42 VAL QG 1 43 VAL H . . 3.800 2.700 2.195 3.284 . 0 0 "[ . 1 . 2]" 1
1447 1 42 VAL QG 1 46 THR MG . . 3.570 2.958 2.192 3.688 0.118 12 0 "[ . 1 . 2]" 1
1448 1 42 VAL QG 1 59 ILE MD . . 5.290 3.063 2.111 3.834 . 0 0 "[ . 1 . 2]" 1
1449 1 42 VAL QG 1 63 LEU QB . . 4.540 3.550 2.392 4.635 0.095 11 0 "[ . 1 . 2]" 1
1450 1 42 VAL QG 1 127 TYR HB3 . . 5.440 3.388 2.493 4.634 . 0 0 "[ . 1 . 2]" 1
1451 1 42 VAL QG 1 127 TYR QD . . 4.060 2.567 2.120 3.537 . 0 0 "[ . 1 . 2]" 1
1452 1 42 VAL QG 1 128 PHE QD . . 3.520 2.863 2.207 3.634 0.114 3 0 "[ . 1 . 2]" 1
1453 1 42 VAL QG 1 128 PHE QE . . 3.330 2.517 1.989 3.415 0.085 12 0 "[ . 1 . 2]" 1
1454 1 42 VAL QG 1 128 PHE HZ . . 5.090 3.977 2.803 4.881 . 0 0 "[ . 1 . 2]" 1
1455 1 44 GLN H 1 44 GLN QB . . 2.810 2.214 2.116 2.370 . 0 0 "[ . 1 . 2]" 1
1456 1 44 GLN QB 1 45 HIS H . . 3.340 2.623 2.296 2.810 . 0 0 "[ . 1 . 2]" 1
1457 1 44 GLN QB 1 47 LYS QD . . 4.870 4.300 3.808 4.884 0.014 10 0 "[ . 1 . 2]" 1
1458 1 45 HIS HD2 1 49 CYS QB . . 4.660 4.380 3.245 4.724 0.064 19 0 "[ . 1 . 2]" 1
1459 1 46 THR HA 1 49 CYS QB . . 3.770 2.253 2.009 2.823 . 0 0 "[ . 1 . 2]" 1
1460 1 47 LYS H 1 48 GLY QA . . 5.250 4.661 4.498 4.764 . 0 0 "[ . 1 . 2]" 1
1461 1 49 CYS H 1 49 CYS QB . . 3.070 2.214 1.969 2.656 . 0 0 "[ . 1 . 2]" 1
1462 1 49 CYS HA 1 50 LYS QB . . 4.750 4.388 3.846 4.734 . 0 0 "[ . 1 . 2]" 1
1463 1 49 CYS HA 1 52 LYS QD . . 4.880 4.768 4.129 4.938 0.058 3 0 "[ . 1 . 2]" 1
1464 1 49 CYS QB 1 52 LYS QG . . 5.340 3.036 2.164 4.057 . 0 0 "[ . 1 . 2]" 1
1465 1 49 CYS QB 1 52 LYS QD . . 2.700 2.498 2.033 2.787 0.087 18 0 "[ . 1 . 2]" 1
1466 1 49 CYS QB 1 52 LYS QE . . 4.290 3.640 3.030 4.355 0.065 13 0 "[ . 1 . 2]" 1
1467 1 49 CYS QB 1 83 PHE HZ . . 4.140 3.807 3.307 4.220 0.080 9 0 "[ . 1 . 2]" 1
1468 1 50 LYS H 1 50 LYS QG . . 5.060 3.239 2.304 4.184 . 0 0 "[ . 1 . 2]" 1
1469 1 50 LYS H 1 52 LYS QD . . 5.340 5.215 4.384 5.413 0.073 17 0 "[ . 1 . 2]" 1
1470 1 50 LYS HA 1 50 LYS QG . . 3.260 2.965 2.345 3.108 . 0 0 "[ . 1 . 2]" 1
1471 1 50 LYS QB 1 51 ARG H . . 3.260 3.105 2.937 3.332 0.072 10 0 "[ . 1 . 2]" 1
1472 1 50 LYS QE 1 50 LYS QG . . 3.370 2.251 2.038 2.689 . 0 0 "[ . 1 . 2]" 1
1473 1 52 LYS H 1 52 LYS QD . . 3.990 3.604 3.204 3.959 . 0 0 "[ . 1 . 2]" 1
1474 1 52 LYS QB 1 64 ILE MD . . 5.340 4.919 3.723 5.420 0.080 8 0 "[ . 1 . 2]" 1
1475 1 52 LYS QB 1 83 PHE HZ . . 5.340 5.142 3.922 5.405 0.065 15 0 "[ . 1 . 2]" 1
1476 1 52 LYS QD 1 53 THR H . . 5.040 4.893 4.083 5.119 0.079 1 0 "[ . 1 . 2]" 1
1477 1 52 LYS QD 1 83 PHE QE . . 4.270 3.795 2.908 4.358 0.088 6 0 "[ . 1 . 2]" 1
1478 1 52 LYS QD 1 83 PHE HZ . . 3.860 3.040 2.293 3.923 0.063 8 0 "[ . 1 . 2]" 1
1479 1 58 PRO QG 1 59 ILE H . . 3.560 2.511 2.314 2.715 . 0 0 "[ . 1 . 2]" 1
1480 1 58 PRO QG 1 59 ILE MD . . 4.260 4.088 3.853 4.293 0.033 9 0 "[ . 1 . 2]" 1
1481 1 61 LYS QB 1 64 ILE MD . . 5.340 4.500 3.823 5.212 . 0 0 "[ . 1 . 2]" 1
1482 1 63 LEU QD 1 66 LEU QD . . 4.330 3.961 3.481 4.422 0.092 18 0 "[ . 1 . 2]" 1
1483 1 66 LEU H 1 66 LEU QD . . 3.680 3.501 3.238 3.747 0.067 20 0 "[ . 1 . 2]" 1
1484 1 66 LEU HA 1 66 LEU QD . . 3.280 2.079 2.015 2.150 . 0 0 "[ . 1 . 2]" 1
1485 1 66 LEU QD 1 69 TYR QD . . 3.950 3.826 3.213 4.042 0.092 5 0 "[ . 1 . 2]" 1
1486 1 66 LEU QD 1 69 TYR QE . . 4.710 4.448 3.404 4.810 0.100 16 0 "[ . 1 . 2]" 1
1487 1 66 LEU QD 1 114 PHE QE . . 3.630 2.754 2.205 3.191 . 0 0 "[ . 1 . 2]" 1
1488 1 66 LEU QD 1 118 TRP HE1 . . 4.440 3.820 3.379 4.254 . 0 0 "[ . 1 . 2]" 1
1489 1 66 LEU QD 1 118 TRP HZ2 . . 3.970 2.221 2.089 2.526 . 0 0 "[ . 1 . 2]" 1
1490 1 66 LEU QD 1 118 TRP HH2 . . 3.480 2.892 2.201 3.336 . 0 0 "[ . 1 . 2]" 1
1491 1 66 LEU QD 1 128 PHE QD . . 4.160 3.789 3.005 4.246 0.086 17 0 "[ . 1 . 2]" 1
1492 1 66 LEU QD 1 128 PHE QE . . 3.540 2.288 2.018 2.622 . 0 0 "[ . 1 . 2]" 1
1493 1 73 HIS QB 1 73 HIS HD2 . . 3.380 3.183 3.099 3.276 . 0 0 "[ . 1 . 2]" 1
1494 1 73 HIS QB 1 74 CYS H . . 3.880 3.318 2.825 3.821 . 0 0 "[ . 1 . 2]" 1
1495 1 76 GLU H 1 76 GLU QB . . 3.030 2.476 2.157 2.900 . 0 0 "[ . 1 . 2]" 1
1496 1 76 GLU QB 1 78 LYS H . . 4.020 2.888 2.182 4.073 0.053 9 0 "[ . 1 . 2]" 1
1497 1 76 GLU QB 1 79 CYS H . . 5.180 4.522 3.587 5.241 0.061 20 0 "[ . 1 . 2]" 1
1498 1 79 CYS H 1 80 PRO QD . . 5.030 4.368 4.263 4.460 . 0 0 "[ . 1 . 2]" 1
1499 1 80 PRO QG 1 81 VAL H . . 4.050 2.737 2.302 3.399 . 0 0 "[ . 1 . 2]" 1
1500 1 80 PRO QG 1 81 VAL MG2 . . 4.000 2.455 2.242 2.810 . 0 0 "[ . 1 . 2]" 1
1501 1 80 PRO QD 1 81 VAL H . . 3.660 2.763 2.468 3.209 . 0 0 "[ . 1 . 2]" 1
1502 1 80 PRO QD 1 81 VAL MG2 . . 4.020 3.437 2.806 4.029 0.009 15 0 "[ . 1 . 2]" 1
1503 1 80 PRO QD 1 85 LEU QD . . 5.350 5.268 4.962 5.464 0.114 3 0 "[ . 1 . 2]" 1
1504 1 81 VAL HA 1 82 PRO QG . . 4.420 3.995 3.951 4.042 . 0 0 "[ . 1 . 2]" 1
1505 1 81 VAL HA 1 82 PRO QD . . 2.870 2.051 2.017 2.096 . 0 0 "[ . 1 . 2]" 1
1506 1 81 VAL MG1 1 82 PRO QG . . 3.990 3.577 3.370 3.793 . 0 0 "[ . 1 . 2]" 1
1507 1 81 VAL MG1 1 82 PRO QD . . 3.050 2.256 2.123 2.379 . 0 0 "[ . 1 . 2]" 1
1508 1 81 VAL MG2 1 82 PRO QD . . 3.730 3.561 3.436 3.720 . 0 0 "[ . 1 . 2]" 1
1509 1 82 PRO QG 1 83 PHE QE . . 4.310 3.927 3.503 4.345 0.035 15 0 "[ . 1 . 2]" 1
1510 1 82 PRO QD 1 85 LEU QD . . 4.610 4.493 4.268 4.696 0.086 12 0 "[ . 1 . 2]" 1
1511 1 85 LEU QD 1 89 GLN QG . . 3.820 3.189 2.482 3.751 . 0 0 "[ . 1 . 2]" 1
1512 1 88 LYS H 1 89 GLN QG . . 5.340 4.500 4.077 4.775 . 0 0 "[ . 1 . 2]" 1
1513 1 89 GLN H 1 89 GLN QG . . 3.460 2.362 1.936 2.678 . 0 0 "[ . 1 . 2]" 1
1514 1 89 GLN HA 1 89 GLN QG . . 3.180 2.760 2.283 3.267 0.087 14 0 "[ . 1 . 2]" 1
1515 1 104 ILE H 1 104 ILE QG . . 4.550 3.147 1.777 4.152 . 0 0 "[ . 1 . 2]" 1
1516 1 104 ILE HA 1 104 ILE QG . . 3.310 2.587 2.263 3.176 . 0 0 "[ . 1 . 2]" 1
1517 1 104 ILE QG 1 104 ILE MG . . 3.020 2.272 2.027 2.475 . 0 0 "[ . 1 . 2]" 1
1518 1 104 ILE QG 1 105 GLU H . . 4.510 4.072 3.612 4.539 0.029 19 0 "[ . 1 . 2]" 1
1519 1 104 ILE QG 1 105 GLU QG . . 5.010 4.341 2.455 5.077 0.067 7 0 "[ . 1 . 2]" 1
1520 1 105 GLU H 1 105 GLU QB . . 3.020 2.554 2.214 3.086 0.066 7 0 "[ . 1 . 2]" 1
1521 1 105 GLU QB 1 106 GLY H . . 4.210 2.718 1.869 3.915 . 0 0 "[ . 1 . 2]" 1
1522 1 107 ARG H 1 107 ARG QB . . 3.270 2.626 2.180 3.349 0.079 16 0 "[ . 1 . 2]" 1
1523 1 107 ARG QB 1 107 ARG QG . . 2.300 2.089 1.996 2.136 . 0 0 "[ . 1 . 2]" 1
1524 1 107 ARG QB 1 108 GLY H . . 4.200 3.384 2.016 4.129 . 0 0 "[ . 1 . 2]" 1
1525 1 109 ASP H 1 109 ASP QB . . 3.380 2.532 2.050 3.134 . 0 0 "[ . 1 . 2]" 1
1526 1 114 PHE HA 1 117 LEU QD . . 4.560 2.590 2.305 3.080 . 0 0 "[ . 1 . 2]" 1
1527 1 114 PHE QD 1 117 LEU QD . . 3.370 3.363 2.985 3.483 0.113 12 0 "[ . 1 . 2]" 1
1528 1 116 HIS HD2 1 117 LEU QD . . 3.770 2.688 2.507 2.859 . 0 0 "[ . 1 . 2]" 1
1529 1 117 LEU H 1 117 LEU QD . . 3.870 2.226 2.099 2.493 . 0 0 "[ . 1 . 2]" 1
1530 1 117 LEU HA 1 117 LEU QD . . 2.920 2.879 2.785 2.991 0.071 4 0 "[ . 1 . 2]" 1
1531 1 117 LEU HB3 1 117 LEU QD . . 3.120 2.180 2.130 2.212 . 0 0 "[ . 1 . 2]" 1
1532 1 117 LEU QD 1 118 TRP H . . 4.500 4.164 4.042 4.258 . 0 0 "[ . 1 . 2]" 1
1533 1 120 SER H 1 120 SER QB . . 3.650 2.524 2.187 3.114 . 0 0 "[ . 1 . 2]" 1
1534 1 123 PRO QG 1 124 ASP H . . 4.640 3.182 2.513 4.219 . 0 0 "[ . 1 . 2]" 1
1535 1 125 SER H 1 125 SER QB . . 3.450 2.782 2.125 3.372 . 0 0 "[ . 1 . 2]" 1
1536 1 125 SER QB 1 126 THR H . . 4.370 3.961 3.754 4.170 . 0 0 "[ . 1 . 2]" 1
1537 1 129 ASP H 1 129 ASP QB . . 3.080 2.456 2.186 2.932 . 0 0 "[ . 1 . 2]" 1
1538 1 129 ASP QB 1 130 LEU H . . 4.020 3.450 2.274 3.985 . 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 26
_Distance_constraint_stats_list.Viol_count 516
_Distance_constraint_stats_list.Viol_total 2325.513
_Distance_constraint_stats_list.Viol_max 0.751
_Distance_constraint_stats_list.Viol_rms 0.1312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2236
_Distance_constraint_stats_list.Viol_average_violations_only 0.2253
_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 SER 7.383 0.703 7 1 "[ . + 1 . 2]"
1 9 ARG 8.149 0.751 16 2 "[ . 1 .+ -]"
1 10 ARG 9.931 0.500 6 0 "[ . 1 . 2]"
1 11 LEU 6.226 0.545 18 1 "[ . 1 . + 2]"
1 12 SER 15.195 0.703 7 1 "[ . + 1 . 2]"
1 13 ILE 14.387 0.751 16 2 "[ . 1 .+ -]"
1 14 GLN 18.865 0.573 18 2 "[ . 1 - + 2]"
1 15 ARG 15.631 0.545 18 1 "[ . 1 . + 2]"
1 16 ALA 14.757 0.432 8 0 "[ . 1 . 2]"
1 17 ILE 14.580 0.405 17 0 "[ . 1 . 2]"
1 18 GLN 23.995 0.648 17 6 "[ * * 1- * +* 2]"
1 19 SER 18.097 0.496 19 0 "[ . 1 . 2]"
1 20 LEU 20.102 0.639 3 2 "[ + . 1 . - 2]"
1 21 VAL 8.342 0.405 17 0 "[ . 1 . 2]"
1 22 HIS 15.060 0.648 17 4 "[ * * 1- . + 2]"
1 23 ALA 8.692 0.496 19 0 "[ . 1 . 2]"
1 24 ALA 13.158 0.639 3 2 "[ + . 1 . - 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 SER O 1 12 SER H . . 1.800 1.939 1.829 2.407 0.607 7 1 "[ . + 1 . 2]" 2
2 1 8 SER O 1 12 SER N . . 2.700 2.930 2.767 3.403 0.703 7 1 "[ . + 1 . 2]" 2
3 1 9 ARG O 1 13 ILE H . . 1.800 1.950 1.792 2.478 0.678 16 1 "[ . 1 .+ 2]" 2
4 1 9 ARG O 1 13 ILE N . . 2.700 2.958 2.804 3.451 0.751 16 2 "[ . 1 .+ -]" 2
5 1 10 ARG O 1 14 GLN H . . 1.800 2.003 1.871 2.218 0.418 6 0 "[ . 1 . 2]" 2
6 1 10 ARG O 1 14 GLN N . . 2.700 2.993 2.861 3.200 0.500 6 0 "[ . 1 . 2]" 2
7 1 11 LEU O 1 15 ARG H . . 1.800 1.910 1.772 2.264 0.464 18 0 "[ . 1 . 2]" 2
8 1 11 LEU O 1 15 ARG N . . 2.700 2.899 2.768 3.245 0.545 18 1 "[ . 1 . + 2]" 2
9 1 12 SER O 1 16 ALA H . . 1.800 1.948 1.799 2.149 0.349 8 0 "[ . 1 . 2]" 2
10 1 12 SER O 1 16 ALA N . . 2.700 2.943 2.793 3.132 0.432 8 0 "[ . 1 . 2]" 2
11 1 13 ILE O 1 17 ILE H . . 1.800 1.901 1.844 2.034 0.234 16 0 "[ . 1 . 2]" 2
12 1 13 ILE O 1 17 ILE N . . 2.700 2.911 2.852 3.047 0.347 16 0 "[ . 1 . 2]" 2
13 1 14 GLN O 1 18 GLN H . . 1.800 1.972 1.816 2.276 0.476 18 0 "[ . 1 . 2]" 2
14 1 14 GLN O 1 18 GLN N . . 2.700 2.975 2.815 3.273 0.573 18 2 "[ . 1 - + 2]" 2
15 1 15 ARG O 1 19 SER H . . 1.800 2.009 1.808 2.192 0.392 5 0 "[ . 1 . 2]" 2
16 1 15 ARG O 1 19 SER N . . 2.700 2.961 2.794 3.167 0.467 3 0 "[ . 1 . 2]" 2
17 1 16 ALA O 1 20 LEU H . . 1.800 1.964 1.851 2.106 0.306 4 0 "[ . 1 . 2]" 2
18 1 16 ALA O 1 20 LEU N . . 2.700 2.884 2.764 3.058 0.358 4 0 "[ . 1 . 2]" 2
19 1 17 ILE O 1 21 VAL H . . 1.800 1.954 1.845 2.096 0.296 17 0 "[ . 1 . 2]" 2
20 1 17 ILE O 1 21 VAL N . . 2.700 2.964 2.849 3.105 0.405 17 0 "[ . 1 . 2]" 2
21 1 18 GLN O 1 22 HIS H . . 1.800 2.153 1.888 2.406 0.606 17 3 "[ - * 1 . + 2]" 2
22 1 18 GLN O 1 22 HIS N . . 2.700 3.100 2.864 3.348 0.648 17 4 "[ * * 1- . + 2]" 2
23 1 19 SER O 1 23 ALA H . . 1.800 1.970 1.856 2.220 0.420 19 0 "[ . 1 . 2]" 2
24 1 19 SER O 1 23 ALA N . . 2.700 2.965 2.853 3.196 0.496 19 0 "[ . 1 . 2]" 2
25 1 20 LEU O 1 24 ALA H . . 1.800 2.128 1.955 2.439 0.639 3 2 "[ + . 1 . - 2]" 2
26 1 20 LEU O 1 24 ALA N . . 2.700 3.030 2.873 3.293 0.593 3 1 "[ + . 1 . 2]" 2
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