NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396576 |
1sgo   |
6052 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sgo
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 948
_Distance_constraint_stats_list.Viol_count 1120
_Distance_constraint_stats_list.Viol_total 691.885
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0309
_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 28 THR 0.089 0.028 1 0 "[ . 1 . 2]"
1 30 MET 0.089 0.028 1 0 "[ . 1 . 2]"
1 31 LYS 0.147 0.046 5 0 "[ . 1 . 2]"
1 32 ASP 0.517 0.085 9 0 "[ . 1 . 2]"
1 33 MET 1.442 0.115 12 0 "[ . 1 . 2]"
1 34 ARG 0.645 0.047 11 0 "[ . 1 . 2]"
1 35 LEU 2.696 0.183 12 0 "[ . 1 . 2]"
1 36 GLU 0.091 0.046 5 0 "[ . 1 . 2]"
1 37 ALA 2.452 0.183 12 0 "[ . 1 . 2]"
1 38 GLU 0.006 0.006 16 0 "[ . 1 . 2]"
1 39 ALA 0.044 0.024 10 0 "[ . 1 . 2]"
1 40 VAL 0.204 0.021 12 0 "[ . 1 . 2]"
1 41 VAL 0.244 0.044 7 0 "[ . 1 . 2]"
1 42 ASN 0.120 0.037 2 0 "[ . 1 . 2]"
1 43 ASP 0.023 0.023 17 0 "[ . 1 . 2]"
1 44 VAL 0.206 0.022 20 0 "[ . 1 . 2]"
1 45 LEU 0.413 0.037 2 0 "[ . 1 . 2]"
1 46 PHE 0.023 0.023 4 0 "[ . 1 . 2]"
1 47 ALA 0.085 0.023 4 0 "[ . 1 . 2]"
1 48 VAL 1.222 0.071 20 0 "[ . 1 . 2]"
1 49 ASN 0.248 0.034 5 0 "[ . 1 . 2]"
1 50 ASN 0.146 0.038 6 0 "[ . 1 . 2]"
1 51 MET 2.087 0.079 16 0 "[ . 1 . 2]"
1 52 PHE 0.039 0.019 1 0 "[ . 1 . 2]"
1 53 VAL 0.499 0.060 11 0 "[ . 1 . 2]"
1 54 SER 0.639 0.091 17 0 "[ . 1 . 2]"
1 55 LYS 0.146 0.045 20 0 "[ . 1 . 2]"
1 56 SER 2.230 0.147 10 0 "[ . 1 . 2]"
1 57 LEU 6.666 0.182 7 0 "[ . 1 . 2]"
1 58 ARG 1.775 0.147 3 0 "[ . 1 . 2]"
1 59 CYS 1.568 0.125 11 0 "[ . 1 . 2]"
1 60 ALA 0.927 0.127 7 0 "[ . 1 . 2]"
1 61 ASP 1.255 0.127 7 0 "[ . 1 . 2]"
1 62 ASP 0.583 0.077 18 0 "[ . 1 . 2]"
1 63 VAL 0.983 0.068 15 0 "[ . 1 . 2]"
1 64 ALA 0.419 0.053 6 0 "[ . 1 . 2]"
1 65 TYR 2.579 0.182 7 0 "[ . 1 . 2]"
1 66 ILE 0.743 0.060 11 0 "[ . 1 . 2]"
1 67 ASN 0.339 0.051 10 0 "[ . 1 . 2]"
1 68 VAL 0.846 0.066 17 0 "[ . 1 . 2]"
1 69 GLU 0.664 0.061 9 0 "[ . 1 . 2]"
1 70 THR 0.976 0.071 20 0 "[ . 1 . 2]"
1 71 LYS 0.751 0.068 15 0 "[ . 1 . 2]"
1 72 GLU 0.009 0.009 4 0 "[ . 1 . 2]"
1 73 ARG 0.283 0.034 10 0 "[ . 1 . 2]"
1 74 ASN 0.051 0.017 9 0 "[ . 1 . 2]"
1 75 ARG 0.275 0.037 5 0 "[ . 1 . 2]"
1 76 TYR 0.044 0.031 12 0 "[ . 1 . 2]"
1 77 CYS 0.079 0.052 14 0 "[ . 1 . 2]"
1 78 LEU 0.699 0.060 4 0 "[ . 1 . 2]"
1 79 GLU 0.038 0.024 19 0 "[ . 1 . 2]"
1 80 LEU 0.032 0.014 10 0 "[ . 1 . 2]"
1 81 THR 0.175 0.040 13 0 "[ . 1 . 2]"
1 82 GLU 0.012 0.008 20 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.192 0.027 1 0 "[ . 1 . 2]"
1 85 LEU 1.074 0.061 6 0 "[ . 1 . 2]"
1 86 LYS 0.546 0.055 13 0 "[ . 1 . 2]"
1 87 VAL 0.785 0.064 13 0 "[ . 1 . 2]"
1 88 VAL 1.268 0.154 19 0 "[ . 1 . 2]"
1 89 GLY 0.112 0.052 14 0 "[ . 1 . 2]"
1 90 TYR 0.711 0.064 13 0 "[ . 1 . 2]"
1 91 ALA 0.236 0.049 5 0 "[ . 1 . 2]"
1 92 PHE 0.424 0.064 1 0 "[ . 1 . 2]"
1 93 ASP 0.548 0.090 16 0 "[ . 1 . 2]"
1 94 GLN 0.416 0.051 9 0 "[ . 1 . 2]"
1 95 VAL 1.155 0.154 19 0 "[ . 1 . 2]"
1 96 ASP 0.397 0.064 12 0 "[ . 1 . 2]"
1 97 ASP 0.110 0.058 19 0 "[ . 1 . 2]"
1 98 HIS 0.220 0.058 19 0 "[ . 1 . 2]"
1 99 LEU 1.798 0.089 17 0 "[ . 1 . 2]"
1 100 GLN 0.614 0.089 17 0 "[ . 1 . 2]"
1 101 THR 0.380 0.038 9 0 "[ . 1 . 2]"
1 102 PRO 0.311 0.096 15 0 "[ . 1 . 2]"
1 103 TYR 0.751 0.096 15 0 "[ . 1 . 2]"
1 104 HIS 0.523 0.075 20 0 "[ . 1 . 2]"
1 105 GLU 0.641 0.102 2 0 "[ . 1 . 2]"
1 106 THR 0.568 0.102 2 0 "[ . 1 . 2]"
1 107 VAL 0.019 0.006 3 0 "[ . 1 . 2]"
1 108 TYR 0.184 0.056 2 0 "[ . 1 . 2]"
1 109 SER 0.041 0.016 15 0 "[ . 1 . 2]"
1 110 LEU 2.011 0.069 13 0 "[ . 1 . 2]"
1 111 LEU 0.774 0.079 16 0 "[ . 1 . 2]"
1 112 ASP 2.626 0.267 16 0 "[ . 1 . 2]"
1 113 THR 2.779 0.267 16 0 "[ . 1 . 2]"
1 114 LEU 0.770 0.084 13 0 "[ . 1 . 2]"
1 115 SER 0.230 0.042 15 0 "[ . 1 . 2]"
1 116 PRO 0.238 0.064 8 0 "[ . 1 . 2]"
1 117 ALA 0.605 0.068 15 0 "[ . 1 . 2]"
1 118 TYR 0.620 0.050 11 0 "[ . 1 . 2]"
1 119 ARG 0.389 0.091 9 0 "[ . 1 . 2]"
1 120 GLU 0.029 0.019 18 0 "[ . 1 . 2]"
1 121 ALA 0.026 0.014 14 0 "[ . 1 . 2]"
1 122 PHE 0.248 0.046 13 0 "[ . 1 . 2]"
1 123 GLY 0.559 0.118 2 0 "[ . 1 . 2]"
1 124 ASN 0.070 0.020 12 0 "[ . 1 . 2]"
1 125 ALA 0.812 0.092 16 0 "[ . 1 . 2]"
1 126 LEU 0.249 0.046 13 0 "[ . 1 . 2]"
1 127 LEU 1.128 0.118 2 0 "[ . 1 . 2]"
1 128 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ARG 0.449 0.070 2 0 "[ . 1 . 2]"
1 130 LEU 0.148 0.039 2 0 "[ . 1 . 2]"
1 131 GLU 0.272 0.046 3 0 "[ . 1 . 2]"
1 132 ALA 0.140 0.070 2 0 "[ . 1 . 2]"
1 133 LEU 0.034 0.031 16 0 "[ . 1 . 2]"
1 134 LYS 0.165 0.039 2 0 "[ . 1 . 2]"
1 135 ARG 0.156 0.046 3 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 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 33 MET H 1 34 ARG H 1.800 . 3.500 2.569 2.364 2.773 . 0 0 "[ . 1 . 2]" 1
2 1 34 ARG H 1 35 LEU H 1.800 . 3.000 2.590 2.438 2.793 . 0 0 "[ . 1 . 2]" 1
3 1 35 LEU H 1 36 GLU H 1.800 . 3.000 2.662 2.432 3.001 0.001 1 0 "[ . 1 . 2]" 1
4 1 36 GLU H 1 37 ALA H 1.800 . 3.000 2.577 2.461 2.635 . 0 0 "[ . 1 . 2]" 1
5 1 37 ALA H 1 38 GLU H 1.800 . 3.000 2.672 2.547 2.783 . 0 0 "[ . 1 . 2]" 1
6 1 38 GLU H 1 39 ALA H 1.800 . 3.000 2.665 2.581 2.760 . 0 0 "[ . 1 . 2]" 1
7 1 39 ALA H 1 40 VAL H 1.800 . 3.000 2.721 2.586 2.824 . 0 0 "[ . 1 . 2]" 1
8 1 40 VAL H 1 41 VAL H 1.800 . 3.000 2.732 2.667 2.833 . 0 0 "[ . 1 . 2]" 1
9 1 42 ASN H 1 43 ASP H 1.800 . 3.000 2.478 2.292 2.636 . 0 0 "[ . 1 . 2]" 1
10 1 43 ASP H 1 44 VAL H 1.800 . 3.000 2.541 2.281 2.863 . 0 0 "[ . 1 . 2]" 1
11 1 44 VAL H 1 45 LEU H 1.800 . 2.500 2.476 2.367 2.522 0.022 20 0 "[ . 1 . 2]" 1
12 1 45 LEU H 1 46 PHE H 1.800 . 3.000 2.729 2.613 2.845 . 0 0 "[ . 1 . 2]" 1
13 1 46 PHE H 1 47 ALA H 1.800 . 3.000 2.576 2.482 2.693 . 0 0 "[ . 1 . 2]" 1
14 1 47 ALA H 1 48 VAL H 1.800 . 3.000 2.309 2.145 2.502 . 0 0 "[ . 1 . 2]" 1
15 1 49 ASN H 1 50 ASN H 1.800 . 3.000 2.382 2.109 2.674 . 0 0 "[ . 1 . 2]" 1
16 1 55 LYS H 1 56 SER H 1.800 . 2.500 2.216 1.785 2.545 0.045 20 0 "[ . 1 . 2]" 1
17 1 56 SER H 1 57 LEU H 1.800 . 2.500 2.241 1.773 2.546 0.046 2 0 "[ . 1 . 2]" 1
18 1 57 LEU H 1 58 ARG H 1.800 . 4.000 3.828 2.914 4.147 0.147 3 0 "[ . 1 . 2]" 1
19 1 59 CYS H 1 60 ALA H 1.800 . 4.500 3.795 2.798 4.537 0.037 18 0 "[ . 1 . 2]" 1
20 1 60 ALA H 1 61 ASP H 1.800 . 4.000 2.978 2.112 4.127 0.127 7 0 "[ . 1 . 2]" 1
21 1 61 ASP H 1 62 ASP H 1.800 . 4.000 2.995 1.951 4.015 0.015 6 0 "[ . 1 . 2]" 1
22 1 62 ASP H 1 63 VAL H 1.800 . 3.000 2.332 1.983 2.632 . 0 0 "[ . 1 . 2]" 1
23 1 73 ARG H 1 74 ASN H 1.800 . 3.000 2.586 2.389 2.689 . 0 0 "[ . 1 . 2]" 1
24 1 82 GLU H 1 83 ALA H 1.800 . 3.000 2.556 2.447 2.754 . 0 0 "[ . 1 . 2]" 1
25 1 84 GLY H 1 85 LEU H 1.800 . 4.500 4.474 4.393 4.525 0.025 15 0 "[ . 1 . 2]" 1
26 1 88 VAL H 1 89 GLY H 1.800 . 3.000 2.165 1.944 2.448 . 0 0 "[ . 1 . 2]" 1
27 1 90 TYR H 1 91 ALA H 1.800 . 3.500 2.729 2.286 3.510 0.010 20 0 "[ . 1 . 2]" 1
28 1 93 ASP H 1 94 GLN H 1.800 . 3.500 2.721 2.479 3.084 . 0 0 "[ . 1 . 2]" 1
29 1 98 HIS H 1 99 LEU H 1.800 . 2.500 2.363 2.106 2.506 0.006 10 0 "[ . 1 . 2]" 1
30 1 105 GLU H 1 106 THR H 1.800 . 3.000 2.735 2.390 3.021 0.021 8 0 "[ . 1 . 2]" 1
31 1 107 VAL H 1 108 TYR H 1.800 . 3.000 2.543 2.447 2.715 . 0 0 "[ . 1 . 2]" 1
32 1 108 TYR H 1 109 SER H 1.800 . 3.000 2.730 2.551 2.964 . 0 0 "[ . 1 . 2]" 1
33 1 109 SER H 1 110 LEU H 1.800 . 3.000 2.598 2.452 2.693 . 0 0 "[ . 1 . 2]" 1
34 1 110 LEU H 1 111 LEU H 1.800 . 3.000 2.575 2.208 2.825 . 0 0 "[ . 1 . 2]" 1
35 1 111 LEU H 1 112 ASP H 1.800 . 3.000 2.566 2.509 2.677 . 0 0 "[ . 1 . 2]" 1
36 1 112 ASP H 1 113 THR H 1.800 . 3.000 2.461 2.023 2.799 . 0 0 "[ . 1 . 2]" 1
37 1 113 THR H 1 114 LEU H 1.800 . 3.000 2.398 2.158 2.593 . 0 0 "[ . 1 . 2]" 1
38 1 114 LEU H 1 115 SER H 1.800 . 3.000 2.215 1.968 2.574 . 0 0 "[ . 1 . 2]" 1
39 1 117 ALA H 1 118 TYR H 1.800 . 3.000 2.501 1.948 2.605 . 0 0 "[ . 1 . 2]" 1
40 1 120 GLU H 1 121 ALA H 1.800 . 3.000 2.632 2.383 2.789 . 0 0 "[ . 1 . 2]" 1
41 1 121 ALA H 1 122 PHE H 1.800 . 3.000 2.631 2.405 2.961 . 0 0 "[ . 1 . 2]" 1
42 1 122 PHE H 1 123 GLY H 1.800 . 3.000 2.674 2.403 2.806 . 0 0 "[ . 1 . 2]" 1
43 1 123 GLY H 1 124 ASN H 1.800 . 3.000 2.677 2.585 2.809 . 0 0 "[ . 1 . 2]" 1
44 1 124 ASN H 1 125 ALA H 1.800 . 3.000 2.625 2.490 2.789 . 0 0 "[ . 1 . 2]" 1
45 1 126 LEU H 1 127 LEU H 1.800 . 3.000 2.643 2.407 2.793 . 0 0 "[ . 1 . 2]" 1
46 1 127 LEU H 1 128 GLN H 1.800 . 3.000 2.595 2.418 2.829 . 0 0 "[ . 1 . 2]" 1
47 1 129 ARG H 1 130 LEU H 1.800 . 3.000 2.624 2.476 2.867 . 0 0 "[ . 1 . 2]" 1
48 1 131 GLU H 1 132 ALA H 1.800 . 3.000 2.590 2.325 2.755 . 0 0 "[ . 1 . 2]" 1
49 1 134 LYS H 1 135 ARG H 1.800 . 3.000 2.464 2.156 2.742 . 0 0 "[ . 1 . 2]" 1
50 1 135 ARG H 1 136 ASP H 1.800 . 3.500 2.485 2.316 2.734 . 0 0 "[ . 1 . 2]" 1
51 1 34 ARG H 1 36 GLU H 1.800 . 5.000 4.355 4.020 4.680 . 0 0 "[ . 1 . 2]" 1
52 1 35 LEU H 1 37 ALA H 1.800 . 5.000 3.639 3.305 3.950 . 0 0 "[ . 1 . 2]" 1
53 1 37 ALA H 1 39 ALA H 1.800 . 5.000 3.913 3.824 4.163 . 0 0 "[ . 1 . 2]" 1
54 1 38 GLU H 1 40 VAL H 1.800 . 5.000 4.307 4.170 4.514 . 0 0 "[ . 1 . 2]" 1
55 1 39 ALA H 1 41 VAL H 1.800 . 5.000 4.169 4.028 4.384 . 0 0 "[ . 1 . 2]" 1
56 1 41 VAL H 1 43 ASP H 1.800 . 5.000 4.066 3.958 4.265 . 0 0 "[ . 1 . 2]" 1
57 1 42 ASN H 1 44 VAL H 1.800 . 5.000 4.488 4.218 4.670 . 0 0 "[ . 1 . 2]" 1
58 1 45 LEU H 1 47 ALA H 1.800 . 5.000 4.188 3.993 4.428 . 0 0 "[ . 1 . 2]" 1
59 1 46 PHE H 1 48 VAL H 1.800 . 5.000 4.215 4.007 4.382 . 0 0 "[ . 1 . 2]" 1
60 1 55 LYS H 1 57 LEU H 1.800 . 5.000 3.826 1.964 4.683 . 0 0 "[ . 1 . 2]" 1
61 1 60 ALA H 1 62 ASP H 1.800 . 5.000 4.454 3.481 5.029 0.029 4 0 "[ . 1 . 2]" 1
62 1 61 ASP H 1 63 VAL H 1.800 . 5.000 3.281 2.241 4.403 . 0 0 "[ . 1 . 2]" 1
63 1 82 GLU H 1 84 GLY H 1.800 . 5.000 4.078 3.996 4.246 . 0 0 "[ . 1 . 2]" 1
64 1 97 ASP H 1 99 LEU H 1.800 . 5.000 4.225 3.937 4.457 . 0 0 "[ . 1 . 2]" 1
65 1 106 THR H 1 108 TYR H 1.800 . 5.000 4.845 4.370 5.034 0.034 3 0 "[ . 1 . 2]" 1
66 1 108 TYR H 1 110 LEU H 1.800 . 5.000 3.788 3.596 3.946 . 0 0 "[ . 1 . 2]" 1
67 1 109 SER H 1 111 LEU H 1.800 . 5.000 4.515 4.244 4.749 . 0 0 "[ . 1 . 2]" 1
68 1 111 LEU H 1 113 THR H 1.800 . 5.000 4.165 3.953 4.396 . 0 0 "[ . 1 . 2]" 1
69 1 112 ASP H 1 114 LEU H 1.800 . 5.000 3.806 3.444 4.006 . 0 0 "[ . 1 . 2]" 1
70 1 121 ALA H 1 123 GLY H 1.800 . 5.000 4.181 3.543 4.809 . 0 0 "[ . 1 . 2]" 1
71 1 50 ASN HA 1 51 MET H 1.800 . 3.000 2.305 2.188 2.421 . 0 0 "[ . 1 . 2]" 1
72 1 51 MET HA 1 52 PHE H 1.800 . 3.000 2.199 2.136 2.262 . 0 0 "[ . 1 . 2]" 1
73 1 52 PHE HA 1 53 VAL H 1.800 . 3.000 2.292 2.165 2.603 . 0 0 "[ . 1 . 2]" 1
74 1 57 LEU HA 1 58 ARG H 1.800 . 4.000 3.036 2.109 3.513 . 0 0 "[ . 1 . 2]" 1
75 1 58 ARG HA 1 59 CYS H 1.800 . 3.000 2.290 2.119 3.069 0.069 18 0 "[ . 1 . 2]" 1
76 1 59 CYS HA 1 60 ALA H 1.800 . 3.000 2.224 2.088 2.637 . 0 0 "[ . 1 . 2]" 1
77 1 63 VAL HA 1 64 ALA H 1.800 . 3.000 2.191 2.116 2.290 . 0 0 "[ . 1 . 2]" 1
78 1 64 ALA HA 1 65 TYR H 1.800 . 3.000 2.161 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
79 1 65 TYR HA 1 66 ILE H 1.800 . 3.000 2.149 2.113 2.242 . 0 0 "[ . 1 . 2]" 1
80 1 66 ILE HA 1 67 ASN H 1.800 . 3.000 2.192 2.119 2.340 . 0 0 "[ . 1 . 2]" 1
81 1 67 ASN HA 1 68 VAL H 1.800 . 3.000 2.161 2.095 2.228 . 0 0 "[ . 1 . 2]" 1
82 1 68 VAL HA 1 69 GLU H 1.800 . 3.000 2.162 2.093 2.272 . 0 0 "[ . 1 . 2]" 1
83 1 69 GLU HA 1 70 THR H 1.800 . 3.000 2.133 2.103 2.174 . 0 0 "[ . 1 . 2]" 1
84 1 74 ASN HA 1 75 ARG H 1.800 . 3.000 2.168 2.125 2.234 . 0 0 "[ . 1 . 2]" 1
85 1 75 ARG HA 1 76 TYR H 1.800 . 3.000 2.170 2.121 2.246 . 0 0 "[ . 1 . 2]" 1
86 1 76 TYR HA 1 77 CYS H 1.800 . 3.000 2.217 2.129 2.349 . 0 0 "[ . 1 . 2]" 1
87 1 77 CYS HA 1 78 LEU H 1.800 . 3.000 2.147 2.102 2.176 . 0 0 "[ . 1 . 2]" 1
88 1 78 LEU HA 1 79 GLU H 1.800 . 3.000 2.121 2.092 2.169 . 0 0 "[ . 1 . 2]" 1
89 1 79 GLU HA 1 80 LEU H 1.800 . 3.000 2.179 2.155 2.213 . 0 0 "[ . 1 . 2]" 1
90 1 80 LEU HA 1 81 THR H 1.800 . 3.000 2.114 2.091 2.148 . 0 0 "[ . 1 . 2]" 1
91 1 81 THR HA 1 82 GLU H 1.800 . 3.000 2.622 2.478 2.779 . 0 0 "[ . 1 . 2]" 1
92 1 84 GLY HA3 1 85 LEU H 1.800 . 3.000 2.333 2.164 2.561 . 0 0 "[ . 1 . 2]" 1
93 1 84 GLY HA2 1 85 LEU H 1.800 . 3.000 2.815 2.557 3.008 0.008 17 0 "[ . 1 . 2]" 1
94 1 85 LEU HA 1 86 LYS H 1.800 . 3.000 2.128 2.073 2.238 . 0 0 "[ . 1 . 2]" 1
95 1 89 GLY HA3 1 90 TYR H 1.800 . 3.000 2.739 2.510 2.919 . 0 0 "[ . 1 . 2]" 1
96 1 89 GLY HA2 1 90 TYR H 1.800 . 3.000 2.375 2.222 2.581 . 0 0 "[ . 1 . 2]" 1
97 1 91 ALA HA 1 92 PHE H 1.800 . 3.000 2.573 2.393 2.896 . 0 0 "[ . 1 . 2]" 1
98 1 92 PHE HA 1 93 ASP H 1.800 . 3.000 2.140 2.081 2.241 . 0 0 "[ . 1 . 2]" 1
99 1 93 ASP HA 1 94 GLN H 1.800 . 3.000 2.807 2.293 3.027 0.027 16 0 "[ . 1 . 2]" 1
100 1 94 GLN HA 1 95 VAL H 1.800 . 3.000 2.156 2.120 2.195 . 0 0 "[ . 1 . 2]" 1
101 1 95 VAL HA 1 96 ASP H 1.800 . 3.000 2.136 2.102 2.174 . 0 0 "[ . 1 . 2]" 1
102 1 96 ASP HA 1 97 ASP H 1.800 . 3.000 2.182 2.126 2.413 . 0 0 "[ . 1 . 2]" 1
103 1 99 LEU HA 1 100 GLN H 1.800 . 3.000 2.120 2.043 2.213 . 0 0 "[ . 1 . 2]" 1
104 1 104 HIS HA 1 105 GLU H 1.800 . 3.000 2.285 2.162 2.490 . 0 0 "[ . 1 . 2]" 1
105 1 44 VAL H 1 45 LEU HA 1.800 . 5.000 4.589 4.347 4.830 . 0 0 "[ . 1 . 2]" 1
106 1 57 LEU H 1 58 ARG HA 1.800 . 5.000 4.645 3.899 4.948 . 0 0 "[ . 1 . 2]" 1
107 1 98 HIS H 1 99 LEU HA 1.800 . 5.000 4.895 4.657 5.034 0.034 5 0 "[ . 1 . 2]" 1
108 1 42 ASN HA 1 44 VAL H 1.800 . 5.000 4.758 4.391 4.986 . 0 0 "[ . 1 . 2]" 1
109 1 45 LEU HA 1 47 ALA H 1.800 . 5.000 3.775 3.616 3.970 . 0 0 "[ . 1 . 2]" 1
110 1 46 PHE HA 1 48 VAL H 1.800 . 5.000 3.790 3.441 4.093 . 0 0 "[ . 1 . 2]" 1
111 1 48 VAL HA 1 50 ASN H 1.800 . 5.000 4.872 4.564 5.038 0.038 6 0 "[ . 1 . 2]" 1
112 1 54 SER HA 1 56 SER H 1.800 . 5.000 3.728 3.240 4.236 . 0 0 "[ . 1 . 2]" 1
113 1 59 CYS HA 1 61 ASP H 1.800 . 5.000 4.327 3.088 5.074 0.074 14 0 "[ . 1 . 2]" 1
114 1 72 GLU HA 1 74 ASN H 1.800 . 5.000 4.388 4.123 4.799 . 0 0 "[ . 1 . 2]" 1
115 1 89 GLY HA3 1 91 ALA H 1.800 . 5.000 3.461 3.051 4.208 . 0 0 "[ . 1 . 2]" 1
116 1 89 GLY HA2 1 91 ALA H 1.800 . 5.000 4.305 3.867 5.030 0.030 4 0 "[ . 1 . 2]" 1
117 1 92 PHE HA 1 94 GLN H 1.800 . 5.000 3.839 3.359 4.763 . 0 0 "[ . 1 . 2]" 1
118 1 97 ASP HA 1 99 LEU H 1.800 . 4.000 3.743 3.428 4.025 0.025 15 0 "[ . 1 . 2]" 1
119 1 104 HIS HA 1 106 THR H 1.800 . 5.000 4.533 3.827 5.009 0.009 1 0 "[ . 1 . 2]" 1
120 1 106 THR HA 1 108 TYR H 1.800 . 5.000 3.967 3.633 4.184 . 0 0 "[ . 1 . 2]" 1
121 1 115 SER HA 1 117 ALA H 1.800 . 5.000 3.497 3.244 3.759 . 0 0 "[ . 1 . 2]" 1
122 1 118 TYR HA 1 120 GLU H 1.800 . 5.000 4.324 3.986 4.662 . 0 0 "[ . 1 . 2]" 1
123 1 120 GLU HA 1 122 PHE H 1.800 . 5.000 4.515 3.697 5.019 0.019 18 0 "[ . 1 . 2]" 1
124 1 33 MET HA 1 36 GLU H 1.800 . 4.000 3.328 2.749 3.620 . 0 0 "[ . 1 . 2]" 1
125 1 34 ARG HA 1 37 ALA H 1.800 . 4.000 3.359 2.816 3.707 . 0 0 "[ . 1 . 2]" 1
126 1 35 LEU HA 1 38 GLU H 1.800 . 4.000 3.526 3.118 3.954 . 0 0 "[ . 1 . 2]" 1
127 1 36 GLU HA 1 39 ALA H 1.800 . 5.000 3.495 3.272 3.735 . 0 0 "[ . 1 . 2]" 1
128 1 37 ALA HA 1 40 VAL H 1.800 . 4.000 3.513 3.255 3.669 . 0 0 "[ . 1 . 2]" 1
129 1 38 GLU HA 1 41 VAL H 1.800 . 4.000 3.468 3.134 3.897 . 0 0 "[ . 1 . 2]" 1
130 1 39 ALA HA 1 42 ASN H 1.800 . 4.000 3.779 3.615 4.024 0.024 10 0 "[ . 1 . 2]" 1
131 1 40 VAL HA 1 43 ASP H 1.800 . 4.000 3.475 3.129 3.723 . 0 0 "[ . 1 . 2]" 1
132 1 41 VAL HA 1 44 VAL H 1.800 . 5.000 4.166 3.979 4.420 . 0 0 "[ . 1 . 2]" 1
133 1 42 ASN HA 1 45 LEU H 1.800 . 4.000 3.872 3.559 4.037 0.037 2 0 "[ . 1 . 2]" 1
134 1 44 VAL HA 1 47 ALA H 1.800 . 5.000 3.638 3.222 4.025 . 0 0 "[ . 1 . 2]" 1
135 1 45 LEU HA 1 48 VAL H 1.800 . 5.000 3.752 3.308 4.192 . 0 0 "[ . 1 . 2]" 1
136 1 107 VAL HA 1 110 LEU H 1.800 . 4.000 3.406 3.194 3.587 . 0 0 "[ . 1 . 2]" 1
137 1 108 TYR HA 1 111 LEU H 1.800 . 5.000 3.794 3.370 4.263 . 0 0 "[ . 1 . 2]" 1
138 1 109 SER HA 1 112 ASP H 1.800 . 4.000 3.775 3.372 4.016 0.016 15 0 "[ . 1 . 2]" 1
139 1 110 LEU HA 1 113 THR H 1.800 . 5.000 3.684 3.470 4.012 . 0 0 "[ . 1 . 2]" 1
140 1 111 LEU HA 1 114 LEU H 1.800 . 5.000 3.244 2.761 3.660 . 0 0 "[ . 1 . 2]" 1
141 1 116 PRO HA 1 119 ARG H 1.800 . 5.000 3.753 3.207 4.374 . 0 0 "[ . 1 . 2]" 1
142 1 117 ALA HA 1 120 GLU H 1.800 . 4.000 3.140 2.898 3.459 . 0 0 "[ . 1 . 2]" 1
143 1 118 TYR HA 1 121 ALA H 1.800 . 4.000 3.639 3.412 3.839 . 0 0 "[ . 1 . 2]" 1
144 1 119 ARG HA 1 122 PHE H 1.800 . 5.000 3.527 2.837 4.239 . 0 0 "[ . 1 . 2]" 1
145 1 121 ALA HA 1 124 ASN H 1.800 . 5.000 3.487 3.229 4.168 . 0 0 "[ . 1 . 2]" 1
146 1 122 PHE HA 1 125 ALA H 1.800 . 5.000 3.485 3.119 3.795 . 0 0 "[ . 1 . 2]" 1
147 1 123 GLY QA 1 126 LEU H 1.800 . 5.000 3.376 2.994 3.687 . 0 0 "[ . 1 . 2]" 1
148 1 124 ASN HA 1 127 LEU H 1.800 . 5.000 3.486 3.151 3.721 . 0 0 "[ . 1 . 2]" 1
149 1 125 ALA HA 1 128 GLN H 1.800 . 5.000 3.472 3.117 3.707 . 0 0 "[ . 1 . 2]" 1
150 1 126 LEU HA 1 129 ARG H 1.800 . 4.000 3.557 3.093 4.015 0.015 14 0 "[ . 1 . 2]" 1
151 1 127 LEU HA 1 130 LEU H 1.800 . 5.000 3.447 2.854 3.983 . 0 0 "[ . 1 . 2]" 1
152 1 128 GLN HA 1 131 GLU H 1.800 . 5.000 3.359 2.852 4.020 . 0 0 "[ . 1 . 2]" 1
153 1 129 ARG HA 1 132 ALA H 1.800 . 5.000 3.524 2.745 4.237 . 0 0 "[ . 1 . 2]" 1
154 1 130 LEU HA 1 133 LEU H 1.800 . 4.000 3.548 3.175 3.826 . 0 0 "[ . 1 . 2]" 1
155 1 131 GLU HA 1 134 LYS H 1.800 . 4.000 3.247 2.854 3.784 . 0 0 "[ . 1 . 2]" 1
156 1 132 ALA HA 1 135 ARG H 1.800 . 5.000 3.441 2.878 3.974 . 0 0 "[ . 1 . 2]" 1
157 1 133 LEU HA 1 136 ASP H 1.800 . 5.000 3.658 3.118 4.018 . 0 0 "[ . 1 . 2]" 1
158 1 33 MET HA 1 37 ALA H 1.800 . 5.000 4.116 3.807 4.328 . 0 0 "[ . 1 . 2]" 1
159 1 37 ALA HA 1 41 VAL H 1.800 . 5.000 4.098 3.823 4.310 . 0 0 "[ . 1 . 2]" 1
160 1 38 GLU HA 1 42 ASN H 1.800 . 5.000 4.197 3.917 4.694 . 0 0 "[ . 1 . 2]" 1
161 1 40 VAL HA 1 44 VAL H 1.800 . 5.000 3.949 3.577 4.598 . 0 0 "[ . 1 . 2]" 1
162 1 41 VAL HA 1 45 LEU H 1.800 . 5.000 4.718 4.433 5.015 0.015 15 0 "[ . 1 . 2]" 1
163 1 59 CYS HA 1 63 VAL H 1.800 . 5.000 4.392 3.848 4.841 . 0 0 "[ . 1 . 2]" 1
164 1 107 VAL HA 1 111 LEU H 1.800 . 5.000 3.671 3.372 3.911 . 0 0 "[ . 1 . 2]" 1
165 1 108 TYR HA 1 112 ASP H 1.800 . 5.000 4.240 4.013 4.517 . 0 0 "[ . 1 . 2]" 1
166 1 111 LEU HA 1 115 SER H 1.800 . 5.000 3.842 3.399 4.305 . 0 0 "[ . 1 . 2]" 1
167 1 124 ASN HA 1 128 GLN H 1.800 . 5.000 4.154 3.763 4.953 . 0 0 "[ . 1 . 2]" 1
168 1 48 VAL HB 1 49 ASN H 1.800 . 5.000 1.886 1.796 2.106 0.004 6 0 "[ . 1 . 2]" 1
169 1 49 ASN HB2 1 50 ASN H 1.800 . 4.000 3.261 2.205 3.989 . 0 0 "[ . 1 . 2]" 1
170 1 49 ASN HB3 1 50 ASN H 1.800 . 4.000 2.736 2.125 3.691 . 0 0 "[ . 1 . 2]" 1
171 1 50 ASN HB2 1 51 MET H 1.800 . 5.000 3.917 2.594 4.240 . 0 0 "[ . 1 . 2]" 1
172 1 50 ASN HB3 1 51 MET H 1.800 . 5.000 3.510 2.511 4.240 . 0 0 "[ . 1 . 2]" 1
173 1 51 MET HB2 1 52 PHE H 1.800 . 5.000 4.263 3.872 4.570 . 0 0 "[ . 1 . 2]" 1
174 1 51 MET HB3 1 52 PHE H 1.800 . 5.000 3.714 2.766 4.067 . 0 0 "[ . 1 . 2]" 1
175 1 52 PHE HB2 1 53 VAL H 1.800 . 5.000 3.674 2.415 4.366 . 0 0 "[ . 1 . 2]" 1
176 1 52 PHE HB3 1 53 VAL H 1.800 . 5.000 3.931 3.243 4.344 . 0 0 "[ . 1 . 2]" 1
177 1 54 SER HB2 1 55 LYS H 1.800 . 5.000 3.675 2.078 4.337 . 0 0 "[ . 1 . 2]" 1
178 1 54 SER HB3 1 55 LYS H 1.800 . 5.000 3.053 1.989 3.702 . 0 0 "[ . 1 . 2]" 1
179 1 55 LYS HB2 1 56 SER H 1.800 . 5.000 4.067 3.222 4.403 . 0 0 "[ . 1 . 2]" 1
180 1 55 LYS HB3 1 56 SER H 1.800 . 5.000 3.864 2.459 4.575 . 0 0 "[ . 1 . 2]" 1
181 1 56 SER HB2 1 57 LEU H 1.800 . 5.000 3.872 3.574 4.338 . 0 0 "[ . 1 . 2]" 1
182 1 56 SER HB3 1 57 LEU H 1.800 . 5.000 4.361 3.385 4.614 . 0 0 "[ . 1 . 2]" 1
183 1 59 CYS HB2 1 60 ALA H 1.800 . 5.000 3.824 2.564 4.425 . 0 0 "[ . 1 . 2]" 1
184 1 59 CYS HB3 1 60 ALA H 1.800 . 5.000 4.190 2.717 4.548 . 0 0 "[ . 1 . 2]" 1
185 1 70 THR HB 1 71 LYS H 1.800 . 5.000 2.219 1.979 2.436 . 0 0 "[ . 1 . 2]" 1
186 1 77 CYS HB2 1 78 LEU H 1.800 . 5.000 4.307 3.273 4.504 . 0 0 "[ . 1 . 2]" 1
187 1 77 CYS HB3 1 78 LEU H 1.800 . 5.000 3.906 3.375 4.374 . 0 0 "[ . 1 . 2]" 1
188 1 81 THR HB 1 82 GLU H 1.800 . 4.000 2.036 1.792 2.417 0.008 20 0 "[ . 1 . 2]" 1
189 1 98 HIS HB2 1 99 LEU H 1.800 . 5.000 3.605 2.855 4.384 . 0 0 "[ . 1 . 2]" 1
190 1 98 HIS HB3 1 99 LEU H 1.800 . 5.000 3.981 2.831 4.589 . 0 0 "[ . 1 . 2]" 1
191 1 100 GLN HB2 1 101 THR H 1.800 . 5.000 4.363 4.018 4.633 . 0 0 "[ . 1 . 2]" 1
192 1 100 GLN HB3 1 101 THR H 1.800 . 5.000 4.449 4.082 4.633 . 0 0 "[ . 1 . 2]" 1
193 1 102 PRO HB2 1 103 TYR H 1.800 . 4.000 3.398 1.834 4.096 0.096 15 0 "[ . 1 . 2]" 1
194 1 102 PRO HB3 1 103 TYR H 1.800 . 4.000 3.600 2.811 4.077 0.077 8 0 "[ . 1 . 2]" 1
195 1 104 HIS HB2 1 105 GLU H 1.800 . 4.000 3.952 3.585 4.075 0.075 20 0 "[ . 1 . 2]" 1
196 1 104 HIS HB3 1 105 GLU H 1.800 . 4.000 2.738 2.159 3.058 . 0 0 "[ . 1 . 2]" 1
197 1 106 THR HB 1 107 VAL H 1.800 . 5.000 2.694 2.120 3.718 . 0 0 "[ . 1 . 2]" 1
198 1 107 VAL HB 1 108 TYR H 1.800 . 5.000 4.074 4.018 4.150 . 0 0 "[ . 1 . 2]" 1
199 1 108 TYR HB2 1 109 SER H 1.800 . 5.000 2.353 2.160 2.556 . 0 0 "[ . 1 . 2]" 1
200 1 108 TYR HB3 1 109 SER H 1.800 . 5.000 3.418 3.154 3.587 . 0 0 "[ . 1 . 2]" 1
201 1 111 LEU HB2 1 112 ASP H 1.800 . 5.000 3.822 3.154 4.101 . 0 0 "[ . 1 . 2]" 1
202 1 111 LEU HB3 1 112 ASP H 1.800 . 5.000 3.097 2.800 3.792 . 0 0 "[ . 1 . 2]" 1
203 1 112 ASP HB2 1 113 THR H 1.800 . 5.000 4.001 3.855 4.207 . 0 0 "[ . 1 . 2]" 1
204 1 112 ASP HB3 1 113 THR H 1.800 . 5.000 2.821 2.583 3.145 . 0 0 "[ . 1 . 2]" 1
205 1 113 THR HB 1 114 LEU H 1.800 . 5.000 3.879 2.996 4.362 . 0 0 "[ . 1 . 2]" 1
206 1 118 TYR HB2 1 119 ARG H 1.800 . 5.000 3.894 3.623 4.161 . 0 0 "[ . 1 . 2]" 1
207 1 118 TYR HB3 1 119 ARG H 1.800 . 5.000 2.562 2.239 2.945 . 0 0 "[ . 1 . 2]" 1
208 1 122 PHE HB2 1 123 GLY H 1.800 . 5.000 3.735 2.773 4.011 . 0 0 "[ . 1 . 2]" 1
209 1 122 PHE HB3 1 123 GLY H 1.800 . 5.000 2.685 2.407 3.816 . 0 0 "[ . 1 . 2]" 1
210 1 30 MET QG 1 31 LYS H 1.800 . 5.000 3.806 2.355 4.847 . 0 0 "[ . 1 . 2]" 1
211 1 33 MET ME 1 34 ARG H 1.800 . 5.000 5.024 4.964 5.047 0.047 11 0 "[ . 1 . 2]" 1
212 1 35 LEU MD1 1 36 GLU H 1.800 . 5.000 4.120 3.791 4.556 . 0 0 "[ . 1 . 2]" 1
213 1 38 GLU QG 1 39 ALA H 1.800 . 5.000 3.890 2.448 4.334 . 0 0 "[ . 1 . 2]" 1
214 1 40 VAL MG1 1 41 VAL H 1.800 . 5.000 3.198 3.048 3.397 . 0 0 "[ . 1 . 2]" 1
215 1 44 VAL MG2 1 45 LEU H 1.800 . 5.000 3.276 3.059 3.448 . 0 0 "[ . 1 . 2]" 1
216 1 48 VAL MG2 1 49 ASN H 1.800 . 5.000 2.816 2.625 3.019 . 0 0 "[ . 1 . 2]" 1
217 1 48 VAL MG1 1 49 ASN H 1.800 . 5.000 3.521 3.454 3.628 . 0 0 "[ . 1 . 2]" 1
218 1 52 PHE QD 1 53 VAL H 1.800 . 5.000 3.290 2.809 3.707 . 0 0 "[ . 1 . 2]" 1
219 1 53 VAL MG2 1 54 SER H 1.800 . 5.000 2.948 2.176 4.235 . 0 0 "[ . 1 . 2]" 1
220 1 55 LYS QG 1 56 SER H 1.800 . 5.000 4.022 2.930 4.697 . 0 0 "[ . 1 . 2]" 1
221 1 57 LEU MD1 1 58 ARG H 1.800 . 5.000 3.736 3.035 5.084 0.084 20 0 "[ . 1 . 2]" 1
222 1 57 LEU MD2 1 58 ARG H 1.800 . 5.000 3.686 3.123 4.260 . 0 0 "[ . 1 . 2]" 1
223 1 58 ARG QD 1 59 CYS H 1.800 . 5.000 4.648 2.624 5.102 0.102 18 0 "[ . 1 . 2]" 1
224 1 63 VAL MG1 1 64 ALA H 1.800 . 5.000 3.850 3.537 4.134 . 0 0 "[ . 1 . 2]" 1
225 1 63 VAL MG2 1 64 ALA H 1.800 . 5.000 2.468 2.125 2.869 . 0 0 "[ . 1 . 2]" 1
226 1 65 TYR QD 1 66 ILE H 1.800 . 5.000 4.018 3.743 4.546 . 0 0 "[ . 1 . 2]" 1
227 1 66 ILE MG 1 67 ASN H 1.800 . 5.000 2.462 2.072 2.679 . 0 0 "[ . 1 . 2]" 1
228 1 66 ILE MD 1 67 ASN H 1.800 . 5.000 4.982 4.835 5.051 0.051 10 0 "[ . 1 . 2]" 1
229 1 68 VAL QG 1 69 GLU H 1.800 . 5.000 2.483 2.188 2.969 . 0 0 "[ . 1 . 2]" 1
230 1 69 GLU HG2 1 70 THR H 1.800 . 5.000 3.600 3.193 4.771 . 0 0 "[ . 1 . 2]" 1
231 1 69 GLU HG3 1 70 THR H 1.800 . 5.000 3.680 3.495 3.899 . 0 0 "[ . 1 . 2]" 1
232 1 70 THR HG1 1 71 LYS H 1.800 . 5.000 4.225 3.395 4.651 . 0 0 "[ . 1 . 2]" 1
233 1 70 THR MG 1 71 LYS H 1.800 . 5.000 3.636 3.500 3.755 . 0 0 "[ . 1 . 2]" 1
234 1 80 LEU MD1 1 81 THR H 1.800 . 5.000 2.505 2.368 2.760 . 0 0 "[ . 1 . 2]" 1
235 1 80 LEU MD2 1 81 THR H 1.800 . 5.000 4.763 4.615 4.948 . 0 0 "[ . 1 . 2]" 1
236 1 81 THR MG 1 82 GLU H 1.800 . 5.000 3.460 3.303 3.710 . 0 0 "[ . 1 . 2]" 1
237 1 88 VAL QG 1 89 GLY H 1.800 . 5.000 2.930 2.434 3.364 . 0 0 "[ . 1 . 2]" 1
238 1 92 PHE QD 1 93 ASP H 1.800 . 5.000 3.813 3.336 4.176 . 0 0 "[ . 1 . 2]" 1
239 1 95 VAL MG2 1 96 ASP H 1.800 . 5.000 3.971 2.440 4.176 . 0 0 "[ . 1 . 2]" 1
240 1 95 VAL MG1 1 96 ASP H 1.800 . 5.000 3.057 2.664 4.000 . 0 0 "[ . 1 . 2]" 1
241 1 99 LEU MD1 1 100 GLN H 1.800 . 5.000 4.915 4.615 5.089 0.089 17 0 "[ . 1 . 2]" 1
242 1 99 LEU MD2 1 100 GLN H 1.800 . 5.000 3.965 2.786 5.061 0.061 10 0 "[ . 1 . 2]" 1
243 1 100 GLN QG 1 101 THR H 1.800 . 5.000 4.191 3.518 4.824 . 0 0 "[ . 1 . 2]" 1
244 1 103 TYR QD 1 104 HIS H 1.800 . 5.000 4.276 3.712 4.653 . 0 0 "[ . 1 . 2]" 1
245 1 106 THR MG 1 107 VAL H 1.800 . 5.000 3.581 2.141 4.039 . 0 0 "[ . 1 . 2]" 1
246 1 107 VAL MG1 1 108 TYR H 1.800 . 5.000 2.400 2.308 2.506 . 0 0 "[ . 1 . 2]" 1
247 1 107 VAL MG2 1 108 TYR H 1.800 . 5.000 3.840 3.745 3.927 . 0 0 "[ . 1 . 2]" 1
248 1 110 LEU HG 1 111 LEU H 1.800 . 5.000 3.389 3.245 3.581 . 0 0 "[ . 1 . 2]" 1
249 1 111 LEU MD1 1 112 ASP H 1.800 . 5.000 4.697 4.353 4.842 . 0 0 "[ . 1 . 2]" 1
250 1 111 LEU MD2 1 112 ASP H 1.800 . 5.000 4.749 4.277 5.076 0.076 16 0 "[ . 1 . 2]" 1
251 1 113 THR MG 1 114 LEU H 1.800 . 5.000 3.744 2.671 4.198 . 0 0 "[ . 1 . 2]" 1
252 1 114 LEU MD1 1 115 SER H 1.800 . 5.000 4.515 4.163 4.952 . 0 0 "[ . 1 . 2]" 1
253 1 114 LEU MD2 1 115 SER H 1.800 . 5.000 4.658 4.330 4.792 . 0 0 "[ . 1 . 2]" 1
254 1 116 PRO HD2 1 117 ALA H 1.800 . 5.000 2.713 2.462 3.161 . 0 0 "[ . 1 . 2]" 1
255 1 116 PRO HD3 1 117 ALA H 1.800 . 5.000 3.857 3.741 3.997 . 0 0 "[ . 1 . 2]" 1
256 1 36 GLU H 1 37 ALA MB 1.800 . 5.000 4.285 4.188 4.350 . 0 0 "[ . 1 . 2]" 1
257 1 43 ASP H 1 44 VAL MG2 1.800 . 5.000 3.840 3.538 4.239 . 0 0 "[ . 1 . 2]" 1
258 1 44 VAL H 1 45 LEU HB2 1.800 . 5.000 4.353 4.025 4.573 . 0 0 "[ . 1 . 2]" 1
259 1 44 VAL H 1 45 LEU HB3 1.800 . 5.000 4.954 4.760 5.018 0.018 5 0 "[ . 1 . 2]" 1
260 1 47 ALA H 1 48 VAL MG2 1.800 . 5.000 3.450 3.282 3.672 . 0 0 "[ . 1 . 2]" 1
261 1 56 SER H 1 57 LEU QB 1.800 . 5.000 3.800 2.649 4.351 . 0 0 "[ . 1 . 2]" 1
262 1 56 SER H 1 57 LEU HG 1.800 . 5.000 4.454 2.891 5.108 0.108 7 0 "[ . 1 . 2]" 1
263 1 56 SER H 1 57 LEU MD1 1.800 . 5.000 3.596 2.262 5.080 0.080 7 0 "[ . 1 . 2]" 1
264 1 56 SER H 1 57 LEU MD2 1.800 . 5.000 4.365 2.304 5.147 0.147 10 0 "[ . 1 . 2]" 1
265 1 62 ASP H 1 63 VAL QG 1.800 . 5.000 3.510 3.082 3.874 . 0 0 "[ . 1 . 2]" 1
266 1 63 VAL H 1 64 ALA MB 1.800 . 5.000 4.542 4.253 4.925 . 0 0 "[ . 1 . 2]" 1
267 1 77 CYS H 1 78 LEU MD2 1.800 . 5.000 4.073 3.774 4.337 . 0 0 "[ . 1 . 2]" 1
268 1 80 LEU H 1 81 THR MG 1.800 . 5.000 4.107 3.808 4.363 . 0 0 "[ . 1 . 2]" 1
269 1 90 TYR H 1 91 ALA MB 1.800 . 5.000 3.709 3.515 3.876 . 0 0 "[ . 1 . 2]" 1
270 1 97 ASP H 1 98 HIS QB 1.800 . 5.000 4.526 4.022 5.058 0.058 19 0 "[ . 1 . 2]" 1
271 1 98 HIS H 1 99 LEU QB 1.800 . 5.000 4.308 3.987 4.556 . 0 0 "[ . 1 . 2]" 1
272 1 98 HIS H 1 99 LEU QD 1.800 . 5.000 3.980 3.098 4.913 . 0 0 "[ . 1 . 2]" 1
273 1 100 GLN H 1 101 THR MG 1.800 . 5.000 3.811 3.391 4.399 . 0 0 "[ . 1 . 2]" 1
274 1 101 THR H 1 102 PRO QD 1.800 . 5.000 4.302 4.115 4.405 . 0 0 "[ . 1 . 2]" 1
275 1 112 ASP H 1 113 THR MG 1.800 . 5.000 4.452 3.887 5.267 0.267 16 0 "[ . 1 . 2]" 1
276 1 113 THR H 1 114 LEU MD2 1.800 . 5.000 4.765 3.530 5.009 0.009 10 0 "[ . 1 . 2]" 1
277 1 115 SER H 1 116 PRO HD2 1.800 . 5.000 4.817 4.407 5.041 0.041 19 0 "[ . 1 . 2]" 1
278 1 115 SER H 1 116 PRO HD3 1.800 . 5.000 4.229 3.767 4.765 . 0 0 "[ . 1 . 2]" 1
279 1 117 ALA H 1 118 TYR HB2 1.800 . 5.000 4.854 4.121 5.046 0.046 14 0 "[ . 1 . 2]" 1
280 1 117 ALA H 1 118 TYR HB3 1.800 . 5.000 4.648 4.067 5.010 0.010 10 0 "[ . 1 . 2]" 1
281 1 121 ALA H 1 122 PHE QB 1.800 . 5.000 4.400 4.137 4.862 . 0 0 "[ . 1 . 2]" 1
282 1 37 ALA MB 1 39 ALA H 1.800 . 5.000 4.351 4.203 4.561 . 0 0 "[ . 1 . 2]" 1
283 1 39 ALA MB 1 41 VAL H 1.800 . 5.000 4.538 4.349 4.656 . 0 0 "[ . 1 . 2]" 1
284 1 41 VAL HB 1 43 ASP H 1.800 . 5.000 4.845 4.660 5.023 0.023 17 0 "[ . 1 . 2]" 1
285 1 48 VAL HB 1 50 ASN H 1.800 . 4.000 3.154 2.852 3.388 . 0 0 "[ . 1 . 2]" 1
286 1 54 SER HB2 1 56 SER H 1.800 . 4.000 3.809 2.491 4.091 0.091 17 0 "[ . 1 . 2]" 1
287 1 54 SER HB3 1 56 SER H 1.800 . 4.000 2.936 2.544 3.377 . 0 0 "[ . 1 . 2]" 1
288 1 59 CYS QB 1 61 ASP H 1.800 . 5.000 4.433 2.812 5.125 0.125 11 0 "[ . 1 . 2]" 1
289 1 60 ALA MB 1 62 ASP H 1.800 . 4.000 3.592 2.734 4.077 0.077 18 0 "[ . 1 . 2]" 1
290 1 70 THR HB 1 72 GLU H 1.800 . 5.000 2.693 2.406 3.042 . 0 0 "[ . 1 . 2]" 1
291 1 81 THR HB 1 83 ALA H 1.800 . 4.000 2.609 2.403 2.736 . 0 0 "[ . 1 . 2]" 1
292 1 87 VAL HB 1 89 GLY H 1.800 . 5.000 4.501 2.998 4.852 . 0 0 "[ . 1 . 2]" 1
293 1 96 ASP QB 1 98 HIS H 1.800 . 4.000 3.428 2.961 3.901 . 0 0 "[ . 1 . 2]" 1
294 1 99 LEU HB2 1 101 THR H 1.800 . 5.000 4.370 3.634 5.024 0.024 11 0 "[ . 1 . 2]" 1
295 1 99 LEU HB3 1 101 THR H 1.800 . 5.000 3.167 2.488 4.062 . 0 0 "[ . 1 . 2]" 1
296 1 104 HIS HB2 1 106 THR H 1.800 . 5.000 4.458 3.353 5.011 0.011 18 0 "[ . 1 . 2]" 1
297 1 104 HIS HB3 1 106 THR H 1.800 . 5.000 3.223 2.590 3.826 . 0 0 "[ . 1 . 2]" 1
298 1 106 THR HB 1 108 TYR H 1.800 . 4.000 2.526 2.221 4.056 0.056 2 0 "[ . 1 . 2]" 1
299 1 115 SER HB2 1 117 ALA H 1.800 . 5.000 3.989 2.751 4.689 . 0 0 "[ . 1 . 2]" 1
300 1 115 SER HB3 1 117 ALA H 1.800 . 5.000 3.226 2.573 4.474 . 0 0 "[ . 1 . 2]" 1
301 1 116 PRO QB 1 118 TYR H 1.800 . 5.000 4.634 4.408 4.941 . 0 0 "[ . 1 . 2]" 1
302 1 121 ALA MB 1 123 GLY H 1.800 . 5.000 4.544 4.045 4.747 . 0 0 "[ . 1 . 2]" 1
303 1 28 THR MG 1 30 MET H 1.800 . 5.000 4.076 1.772 5.023 0.028 1 0 "[ . 1 . 2]" 1
304 1 35 LEU HG 1 37 ALA H 1.800 . 5.000 5.109 5.043 5.183 0.183 12 0 "[ . 1 . 2]" 1
305 1 35 LEU QD 1 37 ALA H 1.800 . 5.000 4.891 4.373 4.987 . 0 0 "[ . 1 . 2]" 1
306 1 41 VAL QG 1 43 ASP H 1.800 . 5.000 4.421 4.178 4.723 . 0 0 "[ . 1 . 2]" 1
307 1 48 VAL MG2 1 50 ASN H 1.800 . 5.000 2.749 2.400 3.019 . 0 0 "[ . 1 . 2]" 1
308 1 48 VAL MG1 1 50 ASN H 1.800 . 5.000 4.597 4.361 4.820 . 0 0 "[ . 1 . 2]" 1
309 1 58 ARG QG 1 60 ALA H 1.800 . 5.000 4.005 2.850 5.045 0.045 9 0 "[ . 1 . 2]" 1
310 1 66 ILE MG 1 68 VAL H 1.800 . 5.000 4.058 3.750 4.464 . 0 0 "[ . 1 . 2]" 1
311 1 68 VAL QG 1 70 THR H 1.800 . 5.000 3.392 3.125 3.612 . 0 0 "[ . 1 . 2]" 1
312 1 70 THR HG1 1 72 GLU H 1.800 . 5.000 3.258 2.327 4.011 . 0 0 "[ . 1 . 2]" 1
313 1 70 THR MG 1 72 GLU H 1.800 . 5.000 4.116 3.941 4.340 . 0 0 "[ . 1 . 2]" 1
314 1 81 THR MG 1 83 ALA H 1.800 . 5.000 4.074 3.915 4.310 . 0 0 "[ . 1 . 2]" 1
315 1 87 VAL QG 1 89 GLY H 1.800 . 5.000 2.355 2.041 3.508 . 0 0 "[ . 1 . 2]" 1
316 1 95 VAL MG1 1 97 ASP H 1.800 . 5.000 4.238 3.321 5.016 0.016 10 0 "[ . 1 . 2]" 1
317 1 99 LEU QD 1 101 THR H 1.800 . 5.000 4.087 2.573 5.023 0.023 10 0 "[ . 1 . 2]" 1
318 1 107 VAL MG1 1 109 SER H 1.800 . 5.000 4.652 4.525 4.908 . 0 0 "[ . 1 . 2]" 1
319 1 110 LEU HG 1 112 ASP H 1.800 . 5.000 5.038 5.004 5.069 0.069 13 0 "[ . 1 . 2]" 1
320 1 32 ASP QB 1 35 LEU H 1.800 . 5.000 2.920 2.237 3.762 . 0 0 "[ . 1 . 2]" 1
321 1 39 ALA MB 1 42 ASN H 1.800 . 5.000 4.795 4.602 5.007 0.007 16 0 "[ . 1 . 2]" 1
322 1 44 VAL HB 1 47 ALA H 1.800 . 5.000 4.062 3.821 4.329 . 0 0 "[ . 1 . 2]" 1
323 1 54 SER HB2 1 57 LEU H 1.800 . 5.000 3.874 3.221 4.545 . 0 0 "[ . 1 . 2]" 1
324 1 54 SER HB3 1 57 LEU H 1.800 . 5.000 3.692 2.038 4.504 . 0 0 "[ . 1 . 2]" 1
325 1 60 ALA MB 1 63 VAL H 1.800 . 5.000 3.837 2.923 4.620 . 0 0 "[ . 1 . 2]" 1
326 1 91 ALA MB 1 94 GLN H 1.800 . 5.000 3.925 3.541 4.486 . 0 0 "[ . 1 . 2]" 1
327 1 96 ASP HB2 1 99 LEU H 1.800 . 5.000 4.797 3.966 5.064 0.064 12 0 "[ . 1 . 2]" 1
328 1 96 ASP HB3 1 99 LEU H 1.800 . 5.000 3.381 3.030 3.841 . 0 0 "[ . 1 . 2]" 1
329 1 106 THR HB 1 109 SER H 1.800 . 5.000 3.472 2.897 4.457 . 0 0 "[ . 1 . 2]" 1
330 1 40 VAL MG1 1 43 ASP H 1.800 . 5.000 4.442 4.219 4.650 . 0 0 "[ . 1 . 2]" 1
331 1 48 VAL MG2 1 51 MET H 1.800 . 5.000 4.073 3.697 4.418 . 0 0 "[ . 1 . 2]" 1
332 1 70 THR MG 1 73 ARG H 1.800 . 5.000 4.932 4.791 5.034 0.034 10 0 "[ . 1 . 2]" 1
333 1 81 THR MG 1 84 GLY H 1.800 . 5.000 4.816 4.438 5.027 0.027 1 0 "[ . 1 . 2]" 1
334 1 106 THR MG 1 109 SER H 1.800 . 5.000 4.117 2.140 4.629 . 0 0 "[ . 1 . 2]" 1
335 1 111 LEU MD1 1 114 LEU H 1.800 . 5.000 4.305 3.779 5.009 0.009 16 0 "[ . 1 . 2]" 1
336 1 127 LEU MD1 1 130 LEU H 1.800 . 5.000 4.760 4.307 5.017 0.017 5 0 "[ . 1 . 2]" 1
337 1 117 ALA MB 1 121 ALA H 1.800 . 5.000 4.169 3.759 4.835 . 0 0 "[ . 1 . 2]" 1
338 1 69 GLU QG 1 73 ARG H 1.800 . 5.000 3.599 3.155 4.064 . 0 0 "[ . 1 . 2]" 1
339 1 70 THR HG1 1 74 ASN H 1.800 . 5.000 2.823 2.192 3.738 . 0 0 "[ . 1 . 2]" 1
340 1 80 LEU MD1 1 84 GLY H 1.800 . 5.000 4.046 3.645 4.677 . 0 0 "[ . 1 . 2]" 1
341 1 34 ARG HA 1 37 ALA MB 1.800 . 4.000 2.269 1.853 2.800 . 0 0 "[ . 1 . 2]" 1
342 1 35 LEU HA 1 38 GLU QB 1.800 . 5.000 3.177 2.603 4.389 . 0 0 "[ . 1 . 2]" 1
343 1 36 GLU HA 1 39 ALA MB 1.800 . 4.000 2.550 2.206 2.897 . 0 0 "[ . 1 . 2]" 1
344 1 37 ALA HA 1 40 VAL HB 1.800 . 4.000 2.896 2.532 3.040 . 0 0 "[ . 1 . 2]" 1
345 1 38 GLU HA 1 41 VAL HB 1.800 . 4.000 2.645 2.236 3.150 . 0 0 "[ . 1 . 2]" 1
346 1 39 ALA HA 1 42 ASN QB 1.800 . 4.000 3.316 3.039 4.004 0.004 10 0 "[ . 1 . 2]" 1
347 1 40 VAL HA 1 43 ASP HB2 1.800 . 4.000 3.410 2.184 3.991 . 0 0 "[ . 1 . 2]" 1
348 1 40 VAL HA 1 43 ASP HB3 1.800 . 4.000 2.781 2.388 3.703 . 0 0 "[ . 1 . 2]" 1
349 1 42 ASN HA 1 45 LEU QB 1.800 . 5.000 2.712 2.291 3.066 . 0 0 "[ . 1 . 2]" 1
350 1 44 VAL HA 1 47 ALA MB 1.800 . 5.000 3.438 2.969 3.874 . 0 0 "[ . 1 . 2]" 1
351 1 107 VAL HA 1 110 LEU HB2 1.800 . 4.000 3.396 3.089 3.665 . 0 0 "[ . 1 . 2]" 1
352 1 107 VAL HA 1 110 LEU HB3 1.800 . 4.000 2.383 2.128 2.617 . 0 0 "[ . 1 . 2]" 1
353 1 109 SER HA 1 112 ASP HB2 1.800 . 5.000 3.582 2.639 4.386 . 0 0 "[ . 1 . 2]" 1
354 1 109 SER HA 1 112 ASP HB3 1.800 . 5.000 2.835 2.579 3.248 . 0 0 "[ . 1 . 2]" 1
355 1 110 LEU HA 1 113 THR HB 1.800 . 5.000 4.291 2.723 5.067 0.067 19 0 "[ . 1 . 2]" 1
356 1 116 PRO HA 1 119 ARG QB 1.800 . 5.000 4.219 2.977 5.064 0.064 8 0 "[ . 1 . 2]" 1
357 1 117 ALA HA 1 120 GLU QB 1.800 . 5.000 2.560 1.790 3.139 0.010 2 0 "[ . 1 . 2]" 1
358 1 118 TYR HA 1 121 ALA MB 1.800 . 5.000 2.982 2.381 3.508 . 0 0 "[ . 1 . 2]" 1
359 1 121 ALA HA 1 124 ASN QB 1.800 . 4.000 2.842 2.354 3.642 . 0 0 "[ . 1 . 2]" 1
360 1 122 PHE HA 1 125 ALA MB 1.800 . 4.000 2.931 2.423 3.884 . 0 0 "[ . 1 . 2]" 1
361 1 123 GLY QA 1 126 LEU QB 1.800 . 5.000 2.724 2.272 3.277 . 0 0 "[ . 1 . 2]" 1
362 1 124 ASN HA 1 127 LEU HB2 1.800 . 5.000 4.326 2.429 5.012 0.012 17 0 "[ . 1 . 2]" 1
363 1 124 ASN HA 1 127 LEU HB3 1.800 . 5.000 3.674 2.020 4.536 . 0 0 "[ . 1 . 2]" 1
364 1 125 ALA HA 1 128 GLN QB 1.800 . 5.000 2.738 2.148 4.412 . 0 0 "[ . 1 . 2]" 1
365 1 126 LEU HA 1 129 ARG QB 1.800 . 5.000 3.036 2.068 4.282 . 0 0 "[ . 1 . 2]" 1
366 1 129 ARG HA 1 132 ALA MB 1.800 . 5.000 2.809 1.911 3.695 . 0 0 "[ . 1 . 2]" 1
367 1 130 LEU HA 1 133 LEU QB 1.800 . 4.000 3.124 2.402 4.031 0.031 16 0 "[ . 1 . 2]" 1
368 1 131 GLU HA 1 134 LYS QB 1.800 . 4.000 2.754 2.124 3.750 . 0 0 "[ . 1 . 2]" 1
369 1 132 ALA HA 1 135 ARG HB2 1.800 . 5.000 3.163 2.299 4.987 . 0 0 "[ . 1 . 2]" 1
370 1 132 ALA HA 1 135 ARG HB3 1.800 . 5.000 4.048 1.938 4.874 . 0 0 "[ . 1 . 2]" 1
371 1 133 LEU HA 1 136 ASP QB 1.800 . 4.000 3.120 2.470 3.864 . 0 0 "[ . 1 . 2]" 1
372 1 33 MET HA 1 36 GLU QG 1.800 . 5.000 3.113 2.073 4.428 . 0 0 "[ . 1 . 2]" 1
373 1 35 LEU HA 1 38 GLU QG 1.800 . 5.000 4.102 2.458 5.006 0.006 16 0 "[ . 1 . 2]" 1
374 1 37 ALA HA 1 40 VAL MG1 1.800 . 5.000 4.227 3.889 4.347 . 0 0 "[ . 1 . 2]" 1
375 1 37 ALA HA 1 40 VAL MG2 1.800 . 5.000 3.267 2.804 3.512 . 0 0 "[ . 1 . 2]" 1
376 1 38 GLU HA 1 41 VAL MG1 1.800 . 5.000 3.947 3.593 4.443 . 0 0 "[ . 1 . 2]" 1
377 1 38 GLU HA 1 41 VAL MG2 1.800 . 5.000 2.906 2.446 3.400 . 0 0 "[ . 1 . 2]" 1
378 1 41 VAL HA 1 44 VAL MG2 1.800 . 5.000 3.348 2.915 3.877 . 0 0 "[ . 1 . 2]" 1
379 1 42 ASN HA 1 45 LEU MD2 1.800 . 5.000 3.526 2.885 4.953 . 0 0 "[ . 1 . 2]" 1
380 1 45 LEU HA 1 48 VAL MG2 1.800 . 4.000 2.484 1.919 2.981 . 0 0 "[ . 1 . 2]" 1
381 1 96 ASP HA 1 99 LEU MD1 1.800 . 5.000 4.581 4.170 5.015 0.015 17 0 "[ . 1 . 2]" 1
382 1 107 VAL HA 1 110 LEU HG 1.800 . 5.000 4.648 4.311 5.002 0.002 15 0 "[ . 1 . 2]" 1
383 1 108 TYR HA 1 111 LEU QD 1.800 . 5.000 4.281 3.839 4.727 . 0 0 "[ . 1 . 2]" 1
384 1 110 LEU HA 1 113 THR MG 1.800 . 5.000 3.427 2.530 4.358 . 0 0 "[ . 1 . 2]" 1
385 1 111 LEU HA 1 114 LEU HG 1.800 . 5.000 3.270 2.559 3.860 . 0 0 "[ . 1 . 2]" 1
386 1 111 LEU HA 1 114 LEU MD1 1.800 . 5.000 2.480 1.831 4.793 . 0 0 "[ . 1 . 2]" 1
387 1 111 LEU HA 1 114 LEU MD2 1.800 . 5.000 4.466 3.037 4.997 . 0 0 "[ . 1 . 2]" 1
388 1 116 PRO HA 1 119 ARG QG 1.800 . 5.000 3.703 2.128 5.026 0.026 17 0 "[ . 1 . 2]" 1
389 1 124 ASN HA 1 127 LEU HG 1.800 . 5.000 2.524 1.853 3.883 . 0 0 "[ . 1 . 2]" 1
390 1 124 ASN HA 1 127 LEU MD1 1.800 . 5.000 2.984 2.580 3.546 . 0 0 "[ . 1 . 2]" 1
391 1 126 LEU HA 1 129 ARG QD 1.800 . 5.000 3.505 2.342 5.024 0.024 15 0 "[ . 1 . 2]" 1
392 1 127 LEU HA 1 130 LEU QD 1.800 . 5.000 3.152 2.190 4.244 . 0 0 "[ . 1 . 2]" 1
393 1 131 GLU HA 1 134 LYS QG 1.800 . 5.000 3.253 1.782 4.700 0.018 20 0 "[ . 1 . 2]" 1
394 1 131 GLU HA 1 134 LYS QD 1.800 . 5.000 3.281 1.788 5.028 0.028 3 0 "[ . 1 . 2]" 1
395 1 131 GLU HA 1 134 LYS QE 1.800 . 5.000 3.682 2.340 5.013 0.013 16 0 "[ . 1 . 2]" 1
396 1 33 MET H 1 61 ASP H 1.800 . 5.000 4.353 2.482 5.115 0.115 12 0 "[ . 1 . 2]" 1
397 1 33 MET H 1 62 ASP H 1.800 . 5.000 4.802 4.511 5.011 0.011 7 0 "[ . 1 . 2]" 1
398 1 33 MET H 1 63 VAL H 1.800 . 5.000 4.871 4.029 5.068 0.068 15 0 "[ . 1 . 2]" 1
399 1 49 ASN H 1 69 GLU H 1.800 . 5.000 4.576 4.324 4.788 . 0 0 "[ . 1 . 2]" 1
400 1 50 ASN H 1 69 GLU H 1.800 . 4.000 3.377 3.154 3.532 . 0 0 "[ . 1 . 2]" 1
401 1 51 MET H 1 69 GLU H 1.800 . 5.000 4.772 4.506 4.901 . 0 0 "[ . 1 . 2]" 1
402 1 52 PHE H 1 67 ASN H 1.800 . 4.000 3.474 3.097 3.748 . 0 0 "[ . 1 . 2]" 1
403 1 60 ALA H 1 63 VAL H 1.800 . 4.000 3.426 2.737 4.033 0.033 7 0 "[ . 1 . 2]" 1
404 1 64 ALA H 1 80 LEU H 1.800 . 4.000 3.222 2.994 3.423 . 0 0 "[ . 1 . 2]" 1
405 1 66 ILE H 1 78 LEU H 1.800 . 4.000 2.995 2.686 3.292 . 0 0 "[ . 1 . 2]" 1
406 1 68 VAL H 1 76 TYR H 1.800 . 4.000 3.063 2.638 3.450 . 0 0 "[ . 1 . 2]" 1
407 1 68 VAL H 1 78 LEU H 1.800 . 5.000 4.327 3.876 4.905 . 0 0 "[ . 1 . 2]" 1
408 1 70 THR H 1 73 ARG H 1.800 . 5.000 4.273 4.005 4.474 . 0 0 "[ . 1 . 2]" 1
409 1 70 THR H 1 74 ASN H 1.800 . 4.000 3.572 3.078 4.013 0.013 12 0 "[ . 1 . 2]" 1
410 1 77 CYS H 1 89 GLY H 1.800 . 4.000 3.238 2.924 3.512 . 0 0 "[ . 1 . 2]" 1
411 1 77 CYS H 1 91 ALA H 1.800 . 5.000 3.563 3.092 4.085 . 0 0 "[ . 1 . 2]" 1
412 1 79 GLU H 1 86 LYS H 1.800 . 4.000 2.963 2.617 3.385 . 0 0 "[ . 1 . 2]" 1
413 1 79 GLU H 1 88 VAL H 1.800 . 5.000 3.665 3.299 4.000 . 0 0 "[ . 1 . 2]" 1
414 1 81 THR H 1 84 GLY H 1.800 . 4.000 3.208 2.938 3.494 . 0 0 "[ . 1 . 2]" 1
415 1 85 LEU H 1 104 HIS H 1.800 . 4.000 2.956 2.579 3.401 . 0 0 "[ . 1 . 2]" 1
416 1 91 ALA H 1 94 GLN H 1.800 . 5.000 4.236 3.798 4.784 . 0 0 "[ . 1 . 2]" 1
417 1 48 VAL HA 1 71 LYS H 1.800 . 5.000 2.724 2.198 3.285 . 0 0 "[ . 1 . 2]" 1
418 1 51 MET HA 1 69 GLU H 1.800 . 4.000 3.092 2.810 3.335 . 0 0 "[ . 1 . 2]" 1
419 1 53 VAL HA 1 67 ASN H 1.800 . 4.000 2.906 2.425 3.342 . 0 0 "[ . 1 . 2]" 1
420 1 59 CYS HA 1 65 TYR H 1.800 . 5.000 3.859 2.919 4.315 . 0 0 "[ . 1 . 2]" 1
421 1 65 TYR HA 1 80 LEU H 1.800 . 5.000 3.039 2.591 3.331 . 0 0 "[ . 1 . 2]" 1
422 1 67 ASN HA 1 78 LEU H 1.800 . 5.000 3.466 3.165 3.699 . 0 0 "[ . 1 . 2]" 1
423 1 69 GLU HA 1 76 TYR H 1.800 . 4.000 3.514 3.148 4.003 0.003 4 0 "[ . 1 . 2]" 1
424 1 76 TYR HA 1 91 ALA H 1.800 . 5.000 3.705 2.717 4.590 . 0 0 "[ . 1 . 2]" 1
425 1 78 LEU HA 1 88 VAL H 1.800 . 5.000 3.115 2.896 3.346 . 0 0 "[ . 1 . 2]" 1
426 1 78 LEU HA 1 89 GLY H 1.800 . 5.000 4.822 4.408 5.009 0.009 18 0 "[ . 1 . 2]" 1
427 1 80 LEU HA 1 86 LYS H 1.800 . 5.000 3.727 3.327 4.439 . 0 0 "[ . 1 . 2]" 1
428 1 86 LYS HA 1 104 HIS H 1.800 . 5.000 3.772 3.414 4.108 . 0 0 "[ . 1 . 2]" 1
429 1 89 GLY QA 1 96 ASP H 1.800 . 5.000 3.361 2.147 4.018 . 0 0 "[ . 1 . 2]" 1
430 1 112 ASP HA 1 119 ARG H 1.800 . 5.000 4.658 3.894 5.034 0.034 19 0 "[ . 1 . 2]" 1
431 1 33 MET H 1 61 ASP HA 1.800 . 5.000 2.703 1.767 3.747 0.033 5 0 "[ . 1 . 2]" 1
432 1 33 MET H 1 62 ASP HA 1.800 . 5.000 4.347 3.136 5.072 0.072 16 0 "[ . 1 . 2]" 1
433 1 34 ARG H 1 61 ASP HA 1.800 . 5.000 3.972 2.027 5.038 0.038 6 0 "[ . 1 . 2]" 1
434 1 49 ASN H 1 70 THR HA 1.800 . 4.000 2.965 2.616 3.479 . 0 0 "[ . 1 . 2]" 1
435 1 49 ASN H 1 71 LYS HA 1.800 . 5.000 3.431 3.062 3.734 . 0 0 "[ . 1 . 2]" 1
436 1 51 MET H 1 68 VAL HA 1.800 . 5.000 5.003 4.852 5.066 0.066 17 0 "[ . 1 . 2]" 1
437 1 52 PHE H 1 68 VAL HA 1.800 . 4.000 3.468 3.027 3.736 . 0 0 "[ . 1 . 2]" 1
438 1 54 SER H 1 66 ILE HA 1.800 . 4.000 2.453 1.807 3.530 . 0 0 "[ . 1 . 2]" 1
439 1 64 ALA H 1 79 GLU HA 1.800 . 5.000 4.436 4.203 4.755 . 0 0 "[ . 1 . 2]" 1
440 1 64 ALA H 1 81 THR HA 1.800 . 5.000 4.025 3.724 4.445 . 0 0 "[ . 1 . 2]" 1
441 1 66 ILE H 1 77 CYS HA 1.800 . 5.000 4.637 4.289 5.026 0.026 3 0 "[ . 1 . 2]" 1
442 1 66 ILE H 1 79 GLU HA 1.800 . 4.000 3.806 3.573 4.005 0.005 4 0 "[ . 1 . 2]" 1
443 1 68 VAL H 1 77 CYS HA 1.800 . 4.000 3.543 3.137 3.996 . 0 0 "[ . 1 . 2]" 1
444 1 70 THR H 1 75 ARG HA 1.800 . 4.000 3.421 2.910 3.969 . 0 0 "[ . 1 . 2]" 1
445 1 75 ARG H 1 91 ALA HA 1.800 . 5.000 4.674 3.460 5.031 0.031 13 0 "[ . 1 . 2]" 1
446 1 77 CYS H 1 89 GLY QA 1.800 . 5.000 3.715 3.249 4.233 . 0 0 "[ . 1 . 2]" 1
447 1 77 CYS H 1 90 TYR HA 1.800 . 4.000 3.217 2.594 3.698 . 0 0 "[ . 1 . 2]" 1
448 1 79 GLU H 1 85 LEU HA 1.800 . 5.000 4.500 4.221 4.826 . 0 0 "[ . 1 . 2]" 1
449 1 79 GLU H 1 87 VAL HA 1.800 . 4.000 3.562 3.161 3.877 . 0 0 "[ . 1 . 2]" 1
450 1 81 THR H 1 84 GLY QA 1.800 . 5.000 3.971 3.696 4.307 . 0 0 "[ . 1 . 2]" 1
451 1 81 THR H 1 85 LEU HA 1.800 . 4.000 3.432 2.864 3.779 . 0 0 "[ . 1 . 2]" 1
452 1 85 LEU H 1 105 GLU HA 1.800 . 5.000 4.105 3.259 4.952 . 0 0 "[ . 1 . 2]" 1
453 1 51 MET HA 1 68 VAL HA 1.800 . 4.000 2.336 2.216 2.474 . 0 0 "[ . 1 . 2]" 1
454 1 53 VAL HA 1 66 ILE HA 1.800 . 4.000 2.133 1.788 2.311 0.012 2 0 "[ . 1 . 2]" 1
455 1 65 TYR HA 1 79 GLU HA 1.800 . 4.000 2.613 2.408 2.872 . 0 0 "[ . 1 . 2]" 1
456 1 67 ASN HA 1 77 CYS HA 1.800 . 4.000 2.594 2.143 2.939 . 0 0 "[ . 1 . 2]" 1
457 1 69 GLU HA 1 75 ARG HA 1.800 . 4.000 2.243 1.901 2.679 . 0 0 "[ . 1 . 2]" 1
458 1 76 TYR HA 1 90 TYR HA 1.800 . 4.000 2.242 1.769 3.006 0.031 12 0 "[ . 1 . 2]" 1
459 1 78 LEU HA 1 87 VAL HA 1.800 . 4.000 2.619 2.289 2.843 . 0 0 "[ . 1 . 2]" 1
460 1 80 LEU HA 1 85 LEU HA 1.800 . 4.000 2.597 2.249 2.973 . 0 0 "[ . 1 . 2]" 1
461 1 86 LYS HA 1 103 TYR HA 1.800 . 4.000 2.690 2.070 3.435 . 0 0 "[ . 1 . 2]" 1
462 1 33 MET QG 1 64 ALA H 1.800 . 5.000 3.049 2.627 4.721 . 0 0 "[ . 1 . 2]" 1
463 1 33 MET ME 1 62 ASP H 1.800 . 5.000 4.763 4.208 5.024 0.024 15 0 "[ . 1 . 2]" 1
464 1 33 MET ME 1 63 VAL H 1.800 . 5.000 4.403 3.900 4.814 . 0 0 "[ . 1 . 2]" 1
465 1 33 MET ME 1 64 ALA H 1.800 . 5.000 4.851 4.404 5.044 0.044 13 0 "[ . 1 . 2]" 1
466 1 33 MET ME 1 82 GLU H 1.800 . 5.000 3.131 2.495 4.087 . 0 0 "[ . 1 . 2]" 1
467 1 40 VAL MG1 1 107 VAL H 1.800 . 5.000 4.481 3.927 4.913 . 0 0 "[ . 1 . 2]" 1
468 1 41 VAL MG2 1 52 PHE H 1.800 . 5.000 3.989 3.660 4.378 . 0 0 "[ . 1 . 2]" 1
469 1 41 VAL MG2 1 53 VAL H 1.800 . 5.000 3.323 2.709 4.576 . 0 0 "[ . 1 . 2]" 1
470 1 45 LEU MD1 1 51 MET H 1.800 . 4.000 2.646 2.085 3.494 . 0 0 "[ . 1 . 2]" 1
471 1 45 LEU MD2 1 51 MET H 1.800 . 5.000 4.298 3.321 5.020 0.020 17 0 "[ . 1 . 2]" 1
472 1 47 ALA MB 1 121 ALA H 1.800 . 5.000 4.585 4.262 5.014 0.014 14 0 "[ . 1 . 2]" 1
473 1 47 ALA MB 1 122 PHE H 1.800 . 5.000 4.339 3.486 4.940 . 0 0 "[ . 1 . 2]" 1
474 1 48 VAL MG2 1 70 THR H 1.800 . 5.000 5.039 5.011 5.071 0.071 20 0 "[ . 1 . 2]" 1
475 1 48 VAL MG1 1 71 LYS H 1.800 . 5.000 3.230 2.852 3.542 . 0 0 "[ . 1 . 2]" 1
476 1 48 VAL MG1 1 70 THR H 1.800 . 5.000 4.051 3.885 4.201 . 0 0 "[ . 1 . 2]" 1
477 1 51 MET ME 1 69 GLU H 1.800 . 5.000 5.032 4.999 5.061 0.061 9 0 "[ . 1 . 2]" 1
478 1 53 VAL QG 1 67 ASN H 1.800 . 5.000 4.282 3.782 4.618 . 0 0 "[ . 1 . 2]" 1
479 1 57 LEU QB 1 65 TYR H 1.800 . 5.000 4.027 3.197 4.904 . 0 0 "[ . 1 . 2]" 1
480 1 57 LEU MD1 1 65 TYR H 1.800 . 5.000 4.947 4.630 5.182 0.182 7 0 "[ . 1 . 2]" 1
481 1 57 LEU MD1 1 93 ASP H 1.800 . 5.000 4.393 2.689 5.090 0.090 16 0 "[ . 1 . 2]" 1
482 1 57 LEU MD1 1 94 GLN H 1.800 . 5.000 4.313 2.866 5.051 0.051 9 0 "[ . 1 . 2]" 1
483 1 57 LEU MD2 1 94 GLN H 1.800 . 5.000 4.670 3.937 5.035 0.035 11 0 "[ . 1 . 2]" 1
484 1 64 ALA MB 1 80 LEU H 1.800 . 5.000 3.814 3.436 4.222 . 0 0 "[ . 1 . 2]" 1
485 1 66 ILE HB 1 78 LEU H 1.800 . 5.000 3.686 3.437 4.014 . 0 0 "[ . 1 . 2]" 1
486 1 66 ILE MD 1 80 LEU H 1.800 . 5.000 4.436 4.078 4.747 . 0 0 "[ . 1 . 2]" 1
487 1 68 VAL MG1 1 76 TYR H 1.800 . 5.000 2.626 2.358 3.051 . 0 0 "[ . 1 . 2]" 1
488 1 71 LYS QD 1 117 ALA H 1.800 . 5.000 4.872 4.409 5.068 0.068 15 0 "[ . 1 . 2]" 1
489 1 77 CYS HB2 1 89 GLY H 1.800 . 5.000 3.987 2.753 4.827 . 0 0 "[ . 1 . 2]" 1
490 1 77 CYS HB3 1 89 GLY H 1.800 . 5.000 3.663 2.714 5.052 0.052 14 0 "[ . 1 . 2]" 1
491 1 77 CYS QB 1 93 ASP H 1.800 . 5.000 3.833 2.796 4.646 . 0 0 "[ . 1 . 2]" 1
492 1 77 CYS HB2 1 94 GLN H 1.800 . 5.000 3.331 2.586 4.115 . 0 0 "[ . 1 . 2]" 1
493 1 77 CYS HB3 1 94 GLN H 1.800 . 5.000 3.858 3.081 4.686 . 0 0 "[ . 1 . 2]" 1
494 1 78 LEU QB 1 86 LYS H 1.800 . 5.000 3.864 3.537 4.477 . 0 0 "[ . 1 . 2]" 1
495 1 78 LEU MD2 1 87 VAL H 1.800 . 5.000 3.875 3.449 4.272 . 0 0 "[ . 1 . 2]" 1
496 1 78 LEU MD2 1 88 VAL H 1.800 . 5.000 3.600 3.329 3.821 . 0 0 "[ . 1 . 2]" 1
497 1 78 LEU MD2 1 89 GLY H 1.800 . 5.000 4.534 4.286 4.768 . 0 0 "[ . 1 . 2]" 1
498 1 80 LEU MD1 1 85 LEU H 1.800 . 5.000 4.139 3.647 4.819 . 0 0 "[ . 1 . 2]" 1
499 1 85 LEU QB 1 104 HIS H 1.800 . 5.000 3.529 3.210 4.688 . 0 0 "[ . 1 . 2]" 1
500 1 85 LEU MD1 1 104 HIS H 1.800 . 5.000 4.378 2.934 4.941 . 0 0 "[ . 1 . 2]" 1
501 1 85 LEU MD1 1 106 THR H 1.800 . 5.000 4.027 3.502 4.322 . 0 0 "[ . 1 . 2]" 1
502 1 85 LEU QD 1 107 VAL H 1.800 . 5.000 2.831 2.632 3.111 . 0 0 "[ . 1 . 2]" 1
503 1 85 LEU QD 1 108 TYR H 1.800 . 5.000 4.354 4.189 4.530 . 0 0 "[ . 1 . 2]" 1
504 1 85 LEU MD2 1 110 LEU H 1.800 . 5.000 4.953 4.750 5.034 0.034 7 0 "[ . 1 . 2]" 1
505 1 86 LYS QB 1 103 TYR H 1.800 . 5.000 4.631 3.740 5.051 0.051 6 0 "[ . 1 . 2]" 1
506 1 86 LYS QB 1 104 HIS H 1.800 . 5.000 4.702 4.164 5.055 0.055 13 0 "[ . 1 . 2]" 1
507 1 86 LYS QG 1 103 TYR H 1.800 . 5.000 4.452 3.424 5.043 0.043 15 0 "[ . 1 . 2]" 1
508 1 104 HIS QB 1 110 LEU H 1.800 . 5.000 3.614 3.101 4.102 . 0 0 "[ . 1 . 2]" 1
509 1 32 ASP H 1 35 LEU MD1 1.800 . 5.000 3.771 1.983 5.085 0.085 9 0 "[ . 1 . 2]" 1
510 1 33 MET H 1 61 ASP QB 1.800 . 5.000 3.808 2.037 4.817 . 0 0 "[ . 1 . 2]" 1
511 1 34 ARG H 1 37 ALA MB 1.800 . 5.000 4.322 4.106 4.633 . 0 0 "[ . 1 . 2]" 1
512 1 34 ARG H 1 59 CYS QB 1.800 . 5.000 4.366 3.318 5.024 0.024 11 0 "[ . 1 . 2]" 1
513 1 34 ARG H 1 64 ALA MB 1.800 . 5.000 3.595 3.035 4.299 . 0 0 "[ . 1 . 2]" 1
514 1 36 GLU H 1 80 LEU MD2 1.800 . 5.000 4.650 4.332 5.011 0.011 19 0 "[ . 1 . 2]" 1
515 1 37 ALA H 1 64 ALA MB 1.800 . 5.000 4.247 3.811 4.588 . 0 0 "[ . 1 . 2]" 1
516 1 37 ALA H 1 66 ILE MD 1.800 . 5.000 4.429 4.256 4.516 . 0 0 "[ . 1 . 2]" 1
517 1 37 ALA H 1 80 LEU MD2 1.800 . 5.000 3.346 3.053 3.843 . 0 0 "[ . 1 . 2]" 1
518 1 38 GLU H 1 41 VAL QG 1.800 . 5.000 4.239 4.005 4.462 . 0 0 "[ . 1 . 2]" 1
519 1 39 ALA H 1 41 VAL QG 1.800 . 5.000 4.743 4.437 5.010 0.010 8 0 "[ . 1 . 2]" 1
520 1 40 VAL H 1 66 ILE MD 1.800 . 5.000 4.709 4.344 5.016 0.016 3 0 "[ . 1 . 2]" 1
521 1 41 VAL H 1 66 ILE MD 1.800 . 5.000 3.906 3.443 4.284 . 0 0 "[ . 1 . 2]" 1
522 1 41 VAL H 1 66 ILE MG 1.800 . 5.000 4.599 4.364 4.797 . 0 0 "[ . 1 . 2]" 1
523 1 45 LEU H 1 48 VAL MG2 1.800 . 5.000 4.594 4.068 4.951 . 0 0 "[ . 1 . 2]" 1
524 1 47 ALA H 1 121 ALA MB 1.800 . 5.000 4.236 3.737 4.814 . 0 0 "[ . 1 . 2]" 1
525 1 48 VAL H 1 71 LYS QG 1.800 . 5.000 4.064 3.391 5.016 0.016 17 0 "[ . 1 . 2]" 1
526 1 48 VAL H 1 71 LYS QE 1.800 . 5.000 4.160 3.201 5.064 0.064 1 0 "[ . 1 . 2]" 1
527 1 49 ASN H 1 71 LYS QG 1.800 . 5.000 3.489 3.148 4.620 . 0 0 "[ . 1 . 2]" 1
528 1 49 ASN H 1 71 LYS QB 1.800 . 5.000 4.785 3.652 5.032 0.032 10 0 "[ . 1 . 2]" 1
529 1 50 ASN H 1 69 GLU QB 1.800 . 4.000 2.505 2.164 2.790 . 0 0 "[ . 1 . 2]" 1
530 1 50 ASN H 1 69 GLU QG 1.800 . 5.000 3.640 3.063 4.362 . 0 0 "[ . 1 . 2]" 1
531 1 52 PHE H 1 67 ASN HB2 1.800 . 5.000 3.733 2.674 5.019 0.019 1 0 "[ . 1 . 2]" 1
532 1 52 PHE H 1 67 ASN HB3 1.800 . 5.000 4.310 3.216 4.869 . 0 0 "[ . 1 . 2]" 1
533 1 53 VAL H 1 66 ILE MG 1.800 . 5.000 3.871 3.371 4.749 . 0 0 "[ . 1 . 2]" 1
534 1 54 SER H 1 66 ILE MG 1.800 . 5.000 4.108 3.358 4.873 . 0 0 "[ . 1 . 2]" 1
535 1 59 CYS H 1 63 VAL MG1 1.800 . 5.000 4.585 3.654 5.029 0.029 4 0 "[ . 1 . 2]" 1
536 1 60 ALA H 1 63 VAL MG1 1.800 . 5.000 2.517 1.801 3.487 . 0 0 "[ . 1 . 2]" 1
537 1 60 ALA H 1 63 VAL MG2 1.800 . 5.000 4.514 3.901 5.042 0.042 9 0 "[ . 1 . 2]" 1
538 1 60 ALA H 1 64 ALA MB 1.800 . 5.000 4.619 3.354 5.043 0.043 16 0 "[ . 1 . 2]" 1
539 1 61 ASP H 1 63 VAL QG 1.800 . 5.000 3.830 2.517 5.047 0.047 14 0 "[ . 1 . 2]" 1
540 1 63 VAL H 1 81 THR MG 1.800 . 5.000 4.546 3.735 5.040 0.040 13 0 "[ . 1 . 2]" 1
541 1 64 ALA H 1 80 LEU QB 1.800 . 5.000 3.064 2.693 3.387 . 0 0 "[ . 1 . 2]" 1
542 1 64 ALA H 1 80 LEU MD2 1.800 . 5.000 4.497 4.243 4.894 . 0 0 "[ . 1 . 2]" 1
543 1 64 ALA H 1 81 THR MG 1.800 . 5.000 3.518 3.204 3.852 . 0 0 "[ . 1 . 2]" 1
544 1 66 ILE H 1 78 LEU QB 1.800 . 4.000 3.170 2.973 3.484 . 0 0 "[ . 1 . 2]" 1
545 1 68 VAL H 1 76 TYR QB 1.800 . 5.000 3.824 3.551 4.151 . 0 0 "[ . 1 . 2]" 1
546 1 68 VAL H 1 92 PHE QD 1.800 . 5.000 4.784 3.885 5.064 0.064 1 0 "[ . 1 . 2]" 1
547 1 75 ARG H 1 90 TYR QB 1.800 . 5.000 4.764 4.076 5.037 0.037 5 0 "[ . 1 . 2]" 1
548 1 77 CYS H 1 88 VAL QG 1.800 . 5.000 4.124 3.676 4.527 . 0 0 "[ . 1 . 2]" 1
549 1 79 GLU H 1 86 LYS QB 1.800 . 5.000 3.523 3.093 4.038 . 0 0 "[ . 1 . 2]" 1
550 1 85 LEU H 1 103 TYR QB 1.800 . 5.000 3.645 3.039 4.674 . 0 0 "[ . 1 . 2]" 1
551 1 85 LEU H 1 104 HIS HB2 1.800 . 5.000 3.943 3.561 4.447 . 0 0 "[ . 1 . 2]" 1
552 1 85 LEU H 1 104 HIS HB3 1.800 . 5.000 4.725 4.201 5.017 0.017 9 0 "[ . 1 . 2]" 1
553 1 85 LEU H 1 110 LEU MD1 1.800 . 5.000 4.961 4.743 5.053 0.053 17 0 "[ . 1 . 2]" 1
554 1 87 VAL H 1 110 LEU MD1 1.800 . 5.000 4.278 3.666 4.855 . 0 0 "[ . 1 . 2]" 1
555 1 90 TYR H 1 94 GLN QB 1.800 . 4.000 3.700 3.241 4.037 0.037 11 0 "[ . 1 . 2]" 1
556 1 90 TYR H 1 94 GLN QG 1.800 . 5.000 3.769 2.571 4.792 . 0 0 "[ . 1 . 2]" 1
557 1 90 TYR H 1 99 LEU MD1 1.800 . 5.000 4.197 3.385 4.959 . 0 0 "[ . 1 . 2]" 1
558 1 91 ALA H 1 94 GLN HB2 1.800 . 5.000 4.192 3.272 4.950 . 0 0 "[ . 1 . 2]" 1
559 1 91 ALA H 1 94 GLN HB3 1.800 . 5.000 2.878 2.205 3.496 . 0 0 "[ . 1 . 2]" 1
560 1 91 ALA H 1 94 GLN QG 1.800 . 5.000 4.233 3.111 5.008 0.008 10 0 "[ . 1 . 2]" 1
561 1 104 HIS H 1 110 LEU QB 1.800 . 5.000 4.308 3.710 5.024 0.024 6 0 "[ . 1 . 2]" 1
562 1 104 HIS H 1 110 LEU MD1 1.800 . 5.000 3.500 2.786 4.460 . 0 0 "[ . 1 . 2]" 1
563 1 106 THR H 1 109 SER QB 1.800 . 5.000 3.320 2.566 4.065 . 0 0 "[ . 1 . 2]" 1
564 1 112 ASP H 1 118 TYR QD 1.800 . 5.000 4.294 3.685 4.645 . 0 0 "[ . 1 . 2]" 1
565 1 112 ASP H 1 118 TYR QE 1.800 . 5.000 4.446 3.637 5.032 0.032 14 0 "[ . 1 . 2]" 1
566 1 115 SER H 1 118 TYR QB 1.800 . 5.000 3.770 3.401 4.145 . 0 0 "[ . 1 . 2]" 1
567 1 123 GLY H 1 126 LEU QB 1.800 . 5.500 5.072 4.333 5.522 0.022 14 0 "[ . 1 . 2]" 1
568 1 123 GLY H 1 126 LEU QD 1.800 . 5.000 4.411 3.927 5.020 0.020 6 0 "[ . 1 . 2]" 1
569 1 32 ASP HA 1 61 ASP QB 1.800 . 5.000 3.397 1.783 4.679 0.017 7 0 "[ . 1 . 2]" 1
570 1 33 MET HA 1 64 ALA MB 1.800 . 5.000 4.222 3.909 4.882 . 0 0 "[ . 1 . 2]" 1
571 1 33 MET HA 1 80 LEU MD2 1.800 . 5.000 4.008 3.447 4.416 . 0 0 "[ . 1 . 2]" 1
572 1 33 MET ME 1 62 ASP HA 1.800 . 5.000 2.719 1.889 3.479 . 0 0 "[ . 1 . 2]" 1
573 1 33 MET ME 1 81 THR HA 1.800 . 5.000 2.798 2.366 3.503 . 0 0 "[ . 1 . 2]" 1
574 1 33 MET ME 1 82 GLU HA 1.800 . 4.000 3.176 2.276 3.995 . 0 0 "[ . 1 . 2]" 1
575 1 34 ARG HA 1 64 ALA MB 1.800 . 5.000 2.819 2.215 3.248 . 0 0 "[ . 1 . 2]" 1
576 1 37 ALA HA 1 64 ALA MB 1.800 . 5.000 4.376 3.846 4.858 . 0 0 "[ . 1 . 2]" 1
577 1 37 ALA HA 1 66 ILE MG 1.800 . 5.000 4.825 4.427 5.022 0.022 9 0 "[ . 1 . 2]" 1
578 1 37 ALA HA 1 66 ILE MD 1.800 . 5.000 2.355 1.921 2.637 . 0 0 "[ . 1 . 2]" 1
579 1 37 ALA HA 1 80 LEU MD1 1.800 . 5.000 4.634 4.374 5.014 0.014 10 0 "[ . 1 . 2]" 1
580 1 37 ALA HA 1 80 LEU MD2 1.800 . 5.000 2.481 2.152 2.879 . 0 0 "[ . 1 . 2]" 1
581 1 40 VAL HA 1 107 VAL MG1 1.800 . 5.000 3.638 3.246 4.348 . 0 0 "[ . 1 . 2]" 1
582 1 40 VAL MG1 1 107 VAL HA 1.800 . 5.000 4.494 4.026 4.887 . 0 0 "[ . 1 . 2]" 1
583 1 41 VAL HA 1 51 MET QG 1.800 . 5.000 3.428 2.382 4.237 . 0 0 "[ . 1 . 2]" 1
584 1 41 VAL HA 1 51 MET ME 1.800 . 5.000 2.791 2.252 3.139 . 0 0 "[ . 1 . 2]" 1
585 1 41 VAL HA 1 66 ILE MG 1.800 . 5.000 4.049 3.656 4.355 . 0 0 "[ . 1 . 2]" 1
586 1 41 VAL MG1 1 52 PHE HA 1.800 . 5.000 2.634 1.931 3.494 . 0 0 "[ . 1 . 2]" 1
587 1 45 LEU QD 1 50 ASN HA 1.800 . 5.000 2.668 1.918 3.322 . 0 0 "[ . 1 . 2]" 1
588 1 47 ALA HA 1 71 LYS QD 1.800 . 5.000 4.142 2.729 5.014 0.014 10 0 "[ . 1 . 2]" 1
589 1 47 ALA HA 1 71 LYS QE 1.800 . 5.000 3.390 2.236 4.768 . 0 0 "[ . 1 . 2]" 1
590 1 47 ALA HA 1 121 ALA MB 1.800 . 5.000 2.271 1.873 2.954 . 0 0 "[ . 1 . 2]" 1
591 1 47 ALA MB 1 118 TYR HA 1.800 . 5.000 2.180 1.807 2.701 . 0 0 "[ . 1 . 2]" 1
592 1 48 VAL HA 1 71 LYS QD 1.800 . 5.000 3.881 3.519 4.587 . 0 0 "[ . 1 . 2]" 1
593 1 48 VAL MG2 1 50 ASN HA 1.800 . 5.000 3.516 3.070 3.967 . 0 0 "[ . 1 . 2]" 1
594 1 48 VAL MG2 1 70 THR HA 1.800 . 5.000 3.664 3.472 3.863 . 0 0 "[ . 1 . 2]" 1
595 1 48 VAL MG1 1 70 THR HA 1.800 . 5.000 2.000 1.821 2.253 . 0 0 "[ . 1 . 2]" 1
596 1 49 ASN HB2 1 71 LYS HA 1.800 . 5.000 2.826 1.783 4.421 0.017 3 0 "[ . 1 . 2]" 1
597 1 49 ASN HB3 1 71 LYS HA 1.800 . 5.000 4.039 2.987 4.985 . 0 0 "[ . 1 . 2]" 1
598 1 49 ASN QD 1 73 ARG HA 1.800 . 5.000 3.487 2.248 4.448 . 0 0 "[ . 1 . 2]" 1
599 1 51 MET HA 1 66 ILE MG 1.800 . 5.000 4.251 3.811 4.694 . 0 0 "[ . 1 . 2]" 1
600 1 51 MET HA 1 68 VAL MG2 1.800 . 5.000 3.518 2.758 3.916 . 0 0 "[ . 1 . 2]" 1
601 1 51 MET ME 1 68 VAL HA 1.800 . 5.000 3.721 3.440 4.220 . 0 0 "[ . 1 . 2]" 1
602 1 52 PHE QD 1 54 SER HA 1.800 . 5.000 3.979 3.132 5.004 0.004 9 0 "[ . 1 . 2]" 1
603 1 53 VAL HA 1 66 ILE HB 1.800 . 5.000 4.668 4.368 5.060 0.060 11 0 "[ . 1 . 2]" 1
604 1 53 VAL HA 1 66 ILE QG 1.800 . 5.000 2.902 2.197 3.276 . 0 0 "[ . 1 . 2]" 1
605 1 53 VAL HA 1 66 ILE MG 1.800 . 5.000 2.568 2.046 3.245 . 0 0 "[ . 1 . 2]" 1
606 1 53 VAL HA 1 66 ILE MD 1.800 . 5.000 4.290 3.686 4.782 . 0 0 "[ . 1 . 2]" 1
607 1 53 VAL MG1 1 66 ILE HA 1.800 . 5.000 4.259 2.501 5.032 0.032 18 0 "[ . 1 . 2]" 1
608 1 53 VAL MG2 1 66 ILE HA 1.800 . 5.000 3.861 2.990 5.004 0.004 17 0 "[ . 1 . 2]" 1
609 1 57 LEU MD1 1 93 ASP HA 1.800 . 4.000 2.743 1.774 3.551 0.026 17 0 "[ . 1 . 2]" 1
610 1 57 LEU MD2 1 65 TYR HA 1.800 . 5.000 4.963 4.165 5.160 0.160 13 0 "[ . 1 . 2]" 1
611 1 57 LEU MD2 1 93 ASP HA 1.800 . 5.000 3.337 1.765 4.765 0.035 7 0 "[ . 1 . 2]" 1
612 1 59 CYS HA 1 63 VAL MG1 1.800 . 5.000 2.748 1.839 3.110 . 0 0 "[ . 1 . 2]" 1
613 1 59 CYS HA 1 64 ALA MB 1.800 . 5.000 3.676 3.046 4.145 . 0 0 "[ . 1 . 2]" 1
614 1 67 ASN HA 1 78 LEU QD 1.800 . 5.000 4.814 4.428 5.027 0.027 13 0 "[ . 1 . 2]" 1
615 1 68 VAL MG2 1 70 THR HA 1.800 . 5.000 3.556 3.306 3.760 . 0 0 "[ . 1 . 2]" 1
616 1 69 GLU HA 1 75 ARG QB 1.800 . 5.000 3.726 2.387 4.611 . 0 0 "[ . 1 . 2]" 1
617 1 69 GLU QG 1 73 ARG HA 1.800 . 5.000 2.346 1.920 3.170 . 0 0 "[ . 1 . 2]" 1
618 1 78 LEU HA 1 87 VAL QG 1.800 . 5.000 3.684 3.406 4.003 . 0 0 "[ . 1 . 2]" 1
619 1 78 LEU HA 1 88 VAL MG1 1.800 . 5.000 4.144 3.307 4.442 . 0 0 "[ . 1 . 2]" 1
620 1 78 LEU HA 1 88 VAL MG2 1.800 . 5.000 3.158 2.867 3.550 . 0 0 "[ . 1 . 2]" 1
621 1 78 LEU MD1 1 87 VAL HA 1.800 . 5.000 4.980 4.802 5.051 0.051 8 0 "[ . 1 . 2]" 1
622 1 78 LEU MD2 1 87 VAL HA 1.800 . 5.000 2.267 2.014 2.476 . 0 0 "[ . 1 . 2]" 1
623 1 80 LEU HA 1 85 LEU MD1 1.800 . 5.000 4.048 3.484 4.789 . 0 0 "[ . 1 . 2]" 1
624 1 80 LEU HA 1 85 LEU MD2 1.800 . 5.000 4.293 3.444 4.784 . 0 0 "[ . 1 . 2]" 1
625 1 80 LEU MD1 1 85 LEU HA 1.800 . 5.000 3.193 2.783 3.939 . 0 0 "[ . 1 . 2]" 1
626 1 85 LEU MD1 1 106 THR HA 1.800 . 5.000 2.990 2.400 3.458 . 0 0 "[ . 1 . 2]" 1
627 1 85 LEU MD1 1 107 VAL HA 1.800 . 5.000 2.836 2.531 3.293 . 0 0 "[ . 1 . 2]" 1
628 1 85 LEU MD2 1 107 VAL HA 1.800 . 5.000 2.222 2.015 2.371 . 0 0 "[ . 1 . 2]" 1
629 1 86 LYS QB 1 103 TYR HA 1.800 . 5.000 3.406 2.944 4.083 . 0 0 "[ . 1 . 2]" 1
630 1 88 VAL HA 1 95 VAL MG1 1.800 . 5.000 4.104 3.740 5.154 0.154 19 0 "[ . 1 . 2]" 1
631 1 88 VAL HA 1 95 VAL MG2 1.800 . 5.000 4.870 2.604 5.066 0.066 3 0 "[ . 1 . 2]" 1
632 1 88 VAL HA 1 99 LEU MD1 1.800 . 5.000 3.379 2.440 4.904 . 0 0 "[ . 1 . 2]" 1
633 1 88 VAL HA 1 99 LEU MD2 1.800 . 5.000 4.377 2.638 5.061 0.061 17 0 "[ . 1 . 2]" 1
634 1 88 VAL HB 1 95 VAL HA 1.800 . 4.000 2.649 1.825 3.601 . 0 0 "[ . 1 . 2]" 1
635 1 88 VAL MG1 1 95 VAL HA 1.800 . 5.000 4.214 3.453 5.022 0.022 6 0 "[ . 1 . 2]" 1
636 1 88 VAL MG2 1 95 VAL HA 1.800 . 5.000 2.732 2.361 3.397 . 0 0 "[ . 1 . 2]" 1
637 1 91 ALA MB 1 94 GLN HA 1.800 . 5.000 4.376 4.108 4.993 . 0 0 "[ . 1 . 2]" 1
638 1 104 HIS HA 1 110 LEU MD1 1.800 . 5.000 4.683 4.392 5.019 0.019 15 0 "[ . 1 . 2]" 1
639 1 112 ASP HA 1 118 TYR QD 1.800 . 5.000 2.655 1.789 3.524 0.011 1 0 "[ . 1 . 2]" 1
640 1 112 ASP HA 1 118 TYR QE 1.800 . 5.000 4.087 2.883 5.026 0.026 17 0 "[ . 1 . 2]" 1
641 1 112 ASP HA 1 119 ARG QG 1.800 . 5.000 4.022 2.536 5.091 0.091 9 0 "[ . 1 . 2]" 1
642 1 122 PHE HA 1 126 LEU QD 1.800 . 5.000 3.985 3.391 5.046 0.046 13 0 "[ . 1 . 2]" 1
643 1 123 GLY QA 1 127 LEU QD 1.800 . 5.000 4.208 3.538 5.118 0.118 2 0 "[ . 1 . 2]" 1
644 1 125 ALA HA 1 127 LEU MD1 1.800 . 5.000 4.928 4.653 5.092 0.092 16 0 "[ . 1 . 2]" 1
645 1 31 LYS QB 1 33 MET ME 1.800 . 5.000 3.960 2.793 4.943 . 0 0 "[ . 1 . 2]" 1
646 1 31 LYS QB 1 36 GLU QG 1.800 . 5.000 4.208 3.080 5.046 0.046 5 0 "[ . 1 . 2]" 1
647 1 31 LYS QG 1 33 MET ME 1.800 . 5.000 4.193 2.958 5.040 0.040 4 0 "[ . 1 . 2]" 1
648 1 32 ASP QB 1 35 LEU HG 1.800 . 5.000 3.063 1.770 4.733 0.030 18 0 "[ . 1 . 2]" 1
649 1 32 ASP HB2 1 35 LEU MD1 1.800 . 5.000 3.389 1.874 5.048 0.048 14 0 "[ . 1 . 2]" 1
650 1 32 ASP HB3 1 35 LEU MD1 1.800 . 5.000 3.416 1.902 5.029 0.029 8 0 "[ . 1 . 2]" 1
651 1 33 MET HG2 1 80 LEU HG 1.800 . 5.000 2.801 1.999 3.426 . 0 0 "[ . 1 . 2]" 1
652 1 33 MET HG3 1 80 LEU HG 1.800 . 5.000 2.664 2.194 3.555 . 0 0 "[ . 1 . 2]" 1
653 1 33 MET ME 1 64 ALA MB 1.800 . 5.000 4.481 4.165 4.878 . 0 0 "[ . 1 . 2]" 1
654 1 33 MET ME 1 80 LEU MD1 1.800 . 5.000 4.341 4.007 4.666 . 0 0 "[ . 1 . 2]" 1
655 1 33 MET ME 1 80 LEU MD2 1.800 . 5.000 4.270 3.545 4.628 . 0 0 "[ . 1 . 2]" 1
656 1 33 MET ME 1 81 THR MG 1.800 . 5.000 4.158 3.517 4.904 . 0 0 "[ . 1 . 2]" 1
657 1 33 MET ME 1 82 GLU QB 1.800 . 5.000 3.192 2.198 4.576 . 0 0 "[ . 1 . 2]" 1
658 1 33 MET ME 1 82 GLU QG 1.800 . 5.000 3.722 2.214 4.796 . 0 0 "[ . 1 . 2]" 1
659 1 34 ARG QB 1 64 ALA MB 1.800 . 5.000 3.702 2.732 4.690 . 0 0 "[ . 1 . 2]" 1
660 1 36 GLU QB 1 80 LEU MD2 1.800 . 5.000 2.697 2.129 3.383 . 0 0 "[ . 1 . 2]" 1
661 1 36 GLU QG 1 80 LEU MD2 1.800 . 5.000 4.249 3.648 4.977 . 0 0 "[ . 1 . 2]" 1
662 1 37 ALA MB 1 40 VAL HB 1.800 . 5.000 4.244 3.955 4.376 . 0 0 "[ . 1 . 2]" 1
663 1 37 ALA MB 1 40 VAL MG1 1.800 . 5.000 4.948 4.617 5.021 0.021 12 0 "[ . 1 . 2]" 1
664 1 37 ALA MB 1 40 VAL MG2 1.800 . 5.000 4.453 4.067 4.654 . 0 0 "[ . 1 . 2]" 1
665 1 37 ALA MB 1 53 VAL HB 1.800 . 5.000 3.735 2.785 4.513 . 0 0 "[ . 1 . 2]" 1
666 1 37 ALA MB 1 53 VAL MG2 1.800 . 5.000 3.547 2.134 4.537 . 0 0 "[ . 1 . 2]" 1
667 1 37 ALA MB 1 64 ALA MB 1.800 . 5.000 2.408 2.012 2.767 . 0 0 "[ . 1 . 2]" 1
668 1 37 ALA MB 1 66 ILE MG 1.800 . 5.000 3.844 3.471 4.172 . 0 0 "[ . 1 . 2]" 1
669 1 37 ALA MB 1 66 ILE MD 1.800 . 5.000 1.991 1.784 2.430 0.016 14 0 "[ . 1 . 2]" 1
670 1 37 ALA MB 1 80 LEU MD2 1.800 . 5.000 2.307 2.083 2.644 . 0 0 "[ . 1 . 2]" 1
671 1 40 VAL HB 1 66 ILE MD 1.800 . 5.000 3.180 2.761 3.637 . 0 0 "[ . 1 . 2]" 1
672 1 40 VAL HB 1 80 LEU MD2 1.800 . 5.000 3.817 3.308 4.156 . 0 0 "[ . 1 . 2]" 1
673 1 40 VAL MG1 1 51 MET ME 1.800 . 5.000 2.390 2.048 2.750 . 0 0 "[ . 1 . 2]" 1
674 1 40 VAL MG1 1 107 VAL HB 1.800 . 5.000 2.624 2.095 3.003 . 0 0 "[ . 1 . 2]" 1
675 1 40 VAL MG1 1 107 VAL MG1 1.800 . 5.000 1.970 1.796 2.293 0.004 18 0 "[ . 1 . 2]" 1
676 1 40 VAL MG1 1 66 ILE MD 1.800 . 5.000 3.230 2.852 3.735 . 0 0 "[ . 1 . 2]" 1
677 1 40 VAL MG2 1 80 LEU MD2 1.800 . 5.000 3.053 2.691 3.553 . 0 0 "[ . 1 . 2]" 1
678 1 41 VAL HB 1 51 MET ME 1.800 . 5.000 4.872 4.415 5.044 0.044 7 0 "[ . 1 . 2]" 1
679 1 41 VAL MG1 1 51 MET QB 1.800 . 5.000 2.123 1.787 2.604 0.013 5 0 "[ . 1 . 2]" 1
680 1 41 VAL MG2 1 66 ILE MG 1.800 . 5.000 2.250 1.899 2.523 . 0 0 "[ . 1 . 2]" 1
681 1 43 ASP QB 1 107 VAL QG 1.800 . 5.000 3.990 3.305 4.765 . 0 0 "[ . 1 . 2]" 1
682 1 44 VAL HB 1 47 ALA MB 1.800 . 5.000 2.872 2.494 3.505 . 0 0 "[ . 1 . 2]" 1
683 1 44 VAL HB 1 111 LEU MD2 1.800 . 5.000 2.648 1.865 4.672 . 0 0 "[ . 1 . 2]" 1
684 1 44 VAL MG2 1 51 MET ME 1.800 . 5.000 2.572 1.842 3.111 . 0 0 "[ . 1 . 2]" 1
685 1 44 VAL MG2 1 107 VAL HB 1.800 . 5.000 4.460 3.978 5.006 0.006 3 0 "[ . 1 . 2]" 1
686 1 44 VAL MG2 1 107 VAL MG1 1.800 . 5.000 3.086 2.614 3.604 . 0 0 "[ . 1 . 2]" 1
687 1 44 VAL MG2 1 107 VAL MG2 1.800 . 5.000 2.285 1.940 2.729 . 0 0 "[ . 1 . 2]" 1
688 1 44 VAL MG2 1 111 LEU MD2 1.800 . 5.000 2.684 2.240 3.430 . 0 0 "[ . 1 . 2]" 1
689 1 44 VAL QG 1 118 TYR QD 1.800 . 5.000 4.098 3.735 4.602 . 0 0 "[ . 1 . 2]" 1
690 1 44 VAL QG 1 118 TYR QE 1.800 . 5.000 2.849 2.081 3.740 . 0 0 "[ . 1 . 2]" 1
691 1 44 VAL MG1 1 107 VAL MG1 1.800 . 5.000 2.389 2.080 2.895 . 0 0 "[ . 1 . 2]" 1
692 1 44 VAL MG1 1 107 VAL MG2 1.800 . 5.000 2.760 1.951 3.658 . 0 0 "[ . 1 . 2]" 1
693 1 44 VAL QG 1 108 TYR QD 1.800 . 5.000 3.521 3.131 4.606 . 0 0 "[ . 1 . 2]" 1
694 1 44 VAL QG 1 108 TYR QE 1.800 . 5.000 3.114 2.565 4.681 . 0 0 "[ . 1 . 2]" 1
695 1 45 LEU QD 1 51 MET QB 1.800 . 5.000 2.354 1.975 3.210 . 0 0 "[ . 1 . 2]" 1
696 1 45 LEU QD 1 51 MET ME 1.800 . 5.000 4.805 3.741 5.026 0.026 16 0 "[ . 1 . 2]" 1
697 1 46 PHE QE 1 125 ALA MB 1.800 . 5.000 3.360 2.556 4.927 . 0 0 "[ . 1 . 2]" 1
698 1 47 ALA MB 1 118 TYR QD 1.800 . 5.000 2.034 1.785 2.362 0.015 12 0 "[ . 1 . 2]" 1
699 1 47 ALA MB 1 118 TYR QE 1.800 . 5.000 3.203 2.483 3.784 . 0 0 "[ . 1 . 2]" 1
700 1 47 ALA MB 1 121 ALA MB 1.800 . 5.000 2.766 2.362 3.371 . 0 0 "[ . 1 . 2]" 1
701 1 48 VAL QG 1 51 MET HB2 1.800 . 5.000 2.693 1.927 4.265 . 0 0 "[ . 1 . 2]" 1
702 1 48 VAL QG 1 51 MET HB3 1.800 . 5.000 3.719 3.128 4.538 . 0 0 "[ . 1 . 2]" 1
703 1 48 VAL MG2 1 51 MET ME 1.800 . 5.000 3.983 2.824 4.379 . 0 0 "[ . 1 . 2]" 1
704 1 48 VAL MG1 1 70 THR MG 1.800 . 5.000 2.371 1.917 2.667 . 0 0 "[ . 1 . 2]" 1
705 1 48 VAL MG1 1 111 LEU MD2 1.800 . 5.000 2.207 1.795 4.123 0.005 17 0 "[ . 1 . 2]" 1
706 1 49 ASN QD 1 73 ARG HG3 1.800 . 5.000 3.913 2.555 5.020 0.020 16 0 "[ . 1 . 2]" 1
707 1 49 ASN QD 1 73 ARG HG2 1.800 . 5.000 3.528 1.906 5.034 0.034 5 0 "[ . 1 . 2]" 1
708 1 49 ASN QD 1 73 ARG QB 1.800 . 5.000 4.308 3.056 5.032 0.032 19 0 "[ . 1 . 2]" 1
709 1 50 ASN HB2 1 69 GLU QB 1.800 . 5.000 3.378 1.873 4.887 . 0 0 "[ . 1 . 2]" 1
710 1 50 ASN HB3 1 69 GLU QB 1.800 . 5.000 2.854 1.789 4.634 0.011 4 0 "[ . 1 . 2]" 1
711 1 51 MET QG 1 66 ILE MG 1.800 . 5.000 3.098 2.097 4.132 . 0 0 "[ . 1 . 2]" 1
712 1 51 MET QG 1 68 VAL MG2 1.800 . 5.000 1.991 1.795 2.275 0.005 4 0 "[ . 1 . 2]" 1
713 1 51 MET QG 1 111 LEU MD1 1.800 . 5.000 4.982 4.439 5.079 0.079 16 0 "[ . 1 . 2]" 1
714 1 51 MET ME 1 66 ILE MG 1.800 . 5.000 2.159 1.784 3.766 0.016 18 0 "[ . 1 . 2]" 1
715 1 51 MET ME 1 66 ILE MD 1.800 . 5.000 3.118 2.712 4.496 . 0 0 "[ . 1 . 2]" 1
716 1 51 MET ME 1 68 VAL HB 1.800 . 5.000 2.135 1.783 3.164 0.017 1 0 "[ . 1 . 2]" 1
717 1 51 MET ME 1 68 VAL MG1 1.800 . 5.000 3.291 2.784 3.911 . 0 0 "[ . 1 . 2]" 1
718 1 51 MET ME 1 78 LEU MD1 1.800 . 5.000 3.073 2.576 4.326 . 0 0 "[ . 1 . 2]" 1
719 1 51 MET ME 1 85 LEU MD2 1.800 . 5.000 4.088 3.495 5.041 0.041 7 0 "[ . 1 . 2]" 1
720 1 51 MET ME 1 107 VAL MG1 1.800 . 5.000 4.494 3.753 5.006 0.006 17 0 "[ . 1 . 2]" 1
721 1 51 MET ME 1 107 VAL MG2 1.800 . 5.000 2.938 2.269 3.575 . 0 0 "[ . 1 . 2]" 1
722 1 51 MET ME 1 111 LEU MD2 1.800 . 5.000 3.949 3.175 4.632 . 0 0 "[ . 1 . 2]" 1
723 1 53 VAL HB 1 64 ALA MB 1.800 . 5.000 4.823 4.124 5.053 0.053 6 0 "[ . 1 . 2]" 1
724 1 53 VAL MG2 1 66 ILE MD 1.800 . 5.000 4.490 3.572 5.054 0.054 9 0 "[ . 1 . 2]" 1
725 1 54 SER QB 1 57 LEU MD1 1.800 . 5.000 2.567 1.755 4.224 0.045 3 0 "[ . 1 . 2]" 1
726 1 54 SER QB 1 57 LEU MD2 1.800 . 5.000 3.197 1.720 4.330 0.080 13 0 "[ . 1 . 2]" 1
727 1 56 SER HB2 1 93 ASP HB3 1.800 . 5.000 2.918 1.779 4.322 0.021 19 0 "[ . 1 . 2]" 1
728 1 56 SER HB3 1 93 ASP HB3 1.800 . 5.000 3.811 2.009 5.028 0.028 7 0 "[ . 1 . 2]" 1
729 1 57 LEU MD1 1 65 TYR QB 1.800 . 5.000 2.613 1.738 3.689 0.062 17 0 "[ . 1 . 2]" 1
730 1 57 LEU MD1 1 65 TYR QD 1.800 . 5.000 3.316 2.500 3.940 . 0 0 "[ . 1 . 2]" 1
731 1 57 LEU MD1 1 65 TYR QE 1.800 . 5.000 4.237 3.301 5.028 0.028 6 0 "[ . 1 . 2]" 1
732 1 57 LEU MD1 1 88 VAL QG 1.800 . 5.000 4.243 3.265 5.064 0.064 5 0 "[ . 1 . 2]" 1
733 1 57 LEU MD1 1 93 ASP QB 1.800 . 5.000 3.408 2.481 4.510 . 0 0 "[ . 1 . 2]" 1
734 1 57 LEU MD2 1 93 ASP QB 1.800 . 5.000 3.957 2.517 5.031 0.031 6 0 "[ . 1 . 2]" 1
735 1 57 LEU MD1 1 95 VAL MG1 1.800 . 5.000 4.486 3.655 5.105 0.105 10 0 "[ . 1 . 2]" 1
736 1 57 LEU MD2 1 65 TYR QB 1.800 . 5.000 2.796 1.757 3.241 0.043 7 0 "[ . 1 . 2]" 1
737 1 57 LEU MD2 1 65 TYR QD 1.800 . 5.000 3.232 2.740 3.892 . 0 0 "[ . 1 . 2]" 1
738 1 57 LEU MD2 1 65 TYR QE 1.800 . 5.000 3.826 3.051 5.057 0.057 13 0 "[ . 1 . 2]" 1
739 1 58 ARG QB 1 63 VAL MG1 1.800 . 5.000 4.148 3.167 4.919 . 0 0 "[ . 1 . 2]" 1
740 1 58 ARG QB 1 65 TYR QE 1.800 . 5.000 4.407 1.930 5.055 0.055 17 0 "[ . 1 . 2]" 1
741 1 58 ARG HG2 1 63 VAL MG1 1.800 . 5.000 3.766 2.527 5.008 0.008 15 0 "[ . 1 . 2]" 1
742 1 58 ARG HG3 1 63 VAL MG1 1.800 . 5.000 3.071 2.082 4.657 . 0 0 "[ . 1 . 2]" 1
743 1 58 ARG HG2 1 65 TYR QE 1.800 . 5.000 2.749 1.821 3.519 . 0 0 "[ . 1 . 2]" 1
744 1 58 ARG HG3 1 65 TYR QE 1.800 . 5.000 3.305 1.971 4.609 . 0 0 "[ . 1 . 2]" 1
745 1 58 ARG QD 1 63 VAL MG1 1.800 . 5.000 3.652 2.007 5.015 0.015 20 0 "[ . 1 . 2]" 1
746 1 59 CYS HB2 1 63 VAL MG1 1.800 . 5.000 4.845 3.972 5.052 0.052 16 0 "[ . 1 . 2]" 1
747 1 59 CYS HB3 1 63 VAL MG1 1.800 . 5.000 4.673 3.822 5.031 0.031 17 0 "[ . 1 . 2]" 1
748 1 59 CYS HB2 1 64 ALA MB 1.800 . 5.000 3.149 2.196 4.629 . 0 0 "[ . 1 . 2]" 1
749 1 59 CYS HB3 1 64 ALA MB 1.800 . 5.000 2.997 2.504 3.743 . 0 0 "[ . 1 . 2]" 1
750 1 60 ALA MB 1 63 VAL MG1 1.800 . 5.000 2.955 1.871 4.437 . 0 0 "[ . 1 . 2]" 1
751 1 63 VAL HB 1 81 THR MG 1.800 . 5.000 2.758 2.251 3.398 . 0 0 "[ . 1 . 2]" 1
752 1 63 VAL MG1 1 65 TYR QD 1.800 . 5.000 4.065 3.459 4.603 . 0 0 "[ . 1 . 2]" 1
753 1 63 VAL MG1 1 65 TYR QE 1.800 . 5.000 3.342 2.589 4.192 . 0 0 "[ . 1 . 2]" 1
754 1 63 VAL MG1 1 81 THR MG 1.800 . 5.000 3.989 3.636 4.459 . 0 0 "[ . 1 . 2]" 1
755 1 63 VAL MG2 1 65 TYR QD 1.800 . 5.000 3.336 3.047 3.720 . 0 0 "[ . 1 . 2]" 1
756 1 63 VAL MG2 1 65 TYR QE 1.800 . 5.000 2.761 2.391 3.222 . 0 0 "[ . 1 . 2]" 1
757 1 63 VAL MG2 1 79 GLU QG 1.800 . 5.000 2.329 1.939 3.727 . 0 0 "[ . 1 . 2]" 1
758 1 63 VAL MG2 1 81 THR MG 1.800 . 5.000 2.310 1.936 3.052 . 0 0 "[ . 1 . 2]" 1
759 1 64 ALA MB 1 66 ILE MD 1.800 . 5.000 3.451 2.826 4.168 . 0 0 "[ . 1 . 2]" 1
760 1 64 ALA MB 1 80 LEU HG 1.800 . 5.000 3.638 3.040 4.145 . 0 0 "[ . 1 . 2]" 1
761 1 64 ALA MB 1 80 LEU MD2 1.800 . 5.000 2.612 2.078 3.117 . 0 0 "[ . 1 . 2]" 1
762 1 65 TYR QD 1 95 VAL MG1 1.800 . 5.000 4.167 3.570 5.018 0.018 13 0 "[ . 1 . 2]" 1
763 1 65 TYR QD 1 95 VAL MG2 1.800 . 5.000 2.982 2.495 4.448 . 0 0 "[ . 1 . 2]" 1
764 1 65 TYR QE 1 79 GLU QB 1.800 . 5.000 2.566 2.240 3.780 . 0 0 "[ . 1 . 2]" 1
765 1 65 TYR QE 1 88 VAL MG1 1.800 . 5.000 2.552 1.796 3.451 0.004 7 0 "[ . 1 . 2]" 1
766 1 65 TYR QE 1 88 VAL MG2 1.800 . 5.000 2.426 1.777 3.385 0.023 13 0 "[ . 1 . 2]" 1
767 1 65 TYR QE 1 95 VAL MG1 1.800 . 5.000 2.876 2.290 3.855 . 0 0 "[ . 1 . 2]" 1
768 1 65 TYR QE 1 95 VAL MG2 1.800 . 5.000 2.783 2.393 3.435 . 0 0 "[ . 1 . 2]" 1
769 1 66 ILE MG 1 68 VAL HB 1.800 . 5.000 3.206 2.823 3.755 . 0 0 "[ . 1 . 2]" 1
770 1 66 ILE MG 1 68 VAL MG1 1.800 . 5.000 3.934 3.547 4.336 . 0 0 "[ . 1 . 2]" 1
771 1 66 ILE MG 1 80 LEU MD2 1.800 . 5.000 4.744 4.485 4.956 . 0 0 "[ . 1 . 2]" 1
772 1 66 ILE MD 1 78 LEU MD1 1.800 . 5.000 3.830 3.342 4.389 . 0 0 "[ . 1 . 2]" 1
773 1 66 ILE MD 1 80 LEU MD2 1.800 . 5.000 2.277 1.911 2.504 . 0 0 "[ . 1 . 2]" 1
774 1 68 VAL MG1 1 70 THR MG 1.800 . 5.000 3.343 3.014 3.631 . 0 0 "[ . 1 . 2]" 1
775 1 68 VAL MG2 1 70 THR MG 1.800 . 5.000 2.946 2.518 3.475 . 0 0 "[ . 1 . 2]" 1
776 1 68 VAL MG1 1 78 LEU MD1 1.800 . 5.000 2.208 1.991 2.662 . 0 0 "[ . 1 . 2]" 1
777 1 68 VAL MG1 1 78 LEU MD2 1.800 . 5.000 3.141 2.828 3.472 . 0 0 "[ . 1 . 2]" 1
778 1 68 VAL MG1 1 114 LEU MD1 1.800 . 5.000 3.611 2.913 4.969 . 0 0 "[ . 1 . 2]" 1
779 1 70 THR HG1 1 74 ASN QD 1.800 . 5.000 4.125 2.145 5.017 0.017 9 0 "[ . 1 . 2]" 1
780 1 70 THR MG 1 74 ASN QB 1.800 . 5.000 3.491 2.881 4.421 . 0 0 "[ . 1 . 2]" 1
781 1 70 THR MG 1 76 TYR QD 1.800 . 5.000 2.599 2.205 3.517 . 0 0 "[ . 1 . 2]" 1
782 1 70 THR MG 1 76 TYR QE 1.800 . 5.000 2.560 1.968 3.928 . 0 0 "[ . 1 . 2]" 1
783 1 70 THR MG 1 111 LEU MD1 1.800 . 5.000 2.537 1.948 3.284 . 0 0 "[ . 1 . 2]" 1
784 1 70 THR MG 1 114 LEU MD1 1.800 . 5.000 3.613 2.371 4.655 . 0 0 "[ . 1 . 2]" 1
785 1 70 THR MG 1 115 SER QB 1.800 . 5.000 2.859 1.793 3.690 0.007 6 0 "[ . 1 . 2]" 1
786 1 71 LYS HB2 1 117 ALA MB 1.800 . 5.000 2.696 1.999 4.545 . 0 0 "[ . 1 . 2]" 1
787 1 71 LYS HB3 1 117 ALA MB 1.800 . 5.000 3.603 3.027 4.692 . 0 0 "[ . 1 . 2]" 1
788 1 71 LYS QD 1 117 ALA MB 1.800 . 5.000 1.988 1.778 2.362 0.022 12 0 "[ . 1 . 2]" 1
789 1 71 LYS QE 1 117 ALA MB 1.800 . 5.000 3.395 2.541 3.836 . 0 0 "[ . 1 . 2]" 1
790 1 71 LYS QE 1 121 ALA MB 1.800 . 5.000 3.204 2.055 4.838 . 0 0 "[ . 1 . 2]" 1
791 1 72 GLU QB 1 74 ASN QD 1.800 . 5.000 3.453 1.791 4.846 0.009 4 0 "[ . 1 . 2]" 1
792 1 76 TYR HB2 1 78 LEU MD2 1.800 . 5.000 3.258 2.901 3.701 . 0 0 "[ . 1 . 2]" 1
793 1 76 TYR HB3 1 78 LEU MD2 1.800 . 5.000 2.772 2.160 3.391 . 0 0 "[ . 1 . 2]" 1
794 1 76 TYR QB 1 87 VAL QG 1.800 . 5.000 2.714 2.149 3.230 . 0 0 "[ . 1 . 2]" 1
795 1 76 TYR QD 1 87 VAL QG 1.800 . 5.000 2.559 1.799 3.419 0.001 7 0 "[ . 1 . 2]" 1
796 1 76 TYR QE 1 114 LEU MD1 1.800 . 5.000 3.623 2.485 4.910 . 0 0 "[ . 1 . 2]" 1
797 1 76 TYR QE 1 114 LEU MD2 1.800 . 5.000 3.284 2.588 4.757 . 0 0 "[ . 1 . 2]" 1
798 1 77 CYS QB 1 88 VAL QG 1.800 . 5.000 2.299 1.852 2.774 . 0 0 "[ . 1 . 2]" 1
799 1 78 LEU QB 1 85 LEU MD1 1.800 . 5.000 4.911 4.409 5.060 0.060 4 0 "[ . 1 . 2]" 1
800 1 78 LEU MD1 1 111 LEU MD1 1.800 . 5.000 3.654 2.988 4.242 . 0 0 "[ . 1 . 2]" 1
801 1 78 LEU MD2 1 87 VAL QG 1.800 . 5.000 2.213 1.806 2.778 . 0 0 "[ . 1 . 2]" 1
802 1 78 LEU MD2 1 110 LEU MD2 1.800 . 5.000 2.029 1.790 2.302 0.010 12 0 "[ . 1 . 2]" 1
803 1 78 LEU MD2 1 114 LEU MD1 1.800 . 5.000 3.079 2.489 4.694 . 0 0 "[ . 1 . 2]" 1
804 1 79 GLU QB 1 88 VAL QG 1.800 . 5.000 1.943 1.776 2.175 0.024 19 0 "[ . 1 . 2]" 1
805 1 79 GLU QG 1 81 THR MG 1.800 . 5.000 2.070 1.799 2.429 0.001 15 0 "[ . 1 . 2]" 1
806 1 81 THR MG 1 83 ALA MB 1.800 . 5.000 4.137 3.864 4.486 . 0 0 "[ . 1 . 2]" 1
807 1 83 ALA MB 1 103 TYR QB 1.800 . 5.000 3.651 2.659 4.921 . 0 0 "[ . 1 . 2]" 1
808 1 83 ALA MB 1 103 TYR QD 1.800 . 5.000 3.488 2.561 4.841 . 0 0 "[ . 1 . 2]" 1
809 1 83 ALA MB 1 103 TYR QE 1.800 . 5.000 3.583 2.825 4.926 . 0 0 "[ . 1 . 2]" 1
810 1 85 LEU QB 1 110 LEU MD2 1.800 . 5.000 1.903 1.774 2.569 0.026 4 0 "[ . 1 . 2]" 1
811 1 85 LEU HG 1 110 LEU QD 1.800 . 5.000 3.966 3.801 4.245 . 0 0 "[ . 1 . 2]" 1
812 1 85 LEU MD1 1 106 THR HB 1.800 . 5.000 4.650 4.090 5.015 0.015 10 0 "[ . 1 . 2]" 1
813 1 85 LEU MD1 1 106 THR MG 1.800 . 5.000 4.396 3.906 4.706 . 0 0 "[ . 1 . 2]" 1
814 1 85 LEU MD1 1 107 VAL HB 1.800 . 5.000 3.042 2.702 3.842 . 0 0 "[ . 1 . 2]" 1
815 1 85 LEU MD1 1 107 VAL MG1 1.800 . 5.000 3.902 3.594 4.557 . 0 0 "[ . 1 . 2]" 1
816 1 85 LEU MD1 1 107 VAL MG2 1.800 . 5.000 3.838 3.573 4.189 . 0 0 "[ . 1 . 2]" 1
817 1 85 LEU MD2 1 107 VAL MG2 1.800 . 5.000 2.354 2.146 2.591 . 0 0 "[ . 1 . 2]" 1
818 1 85 LEU QD 1 110 LEU QD 1.800 . 5.000 2.160 1.739 2.480 0.061 6 0 "[ . 1 . 2]" 1
819 1 86 LYS QB 1 103 TYR QD 1.800 . 5.000 2.616 1.786 4.502 0.014 17 0 "[ . 1 . 2]" 1
820 1 86 LYS QB 1 103 TYR QE 1.800 . 5.000 4.082 2.518 5.013 0.013 9 0 "[ . 1 . 2]" 1
821 1 86 LYS HG2 1 103 TYR QD 1.800 . 5.000 4.191 1.786 5.045 0.045 14 0 "[ . 1 . 2]" 1
822 1 86 LYS HG3 1 103 TYR QD 1.800 . 5.000 3.277 2.045 4.727 . 0 0 "[ . 1 . 2]" 1
823 1 86 LYS QE 1 103 TYR QE 1.800 . 5.000 4.120 2.284 5.022 0.022 5 0 "[ . 1 . 2]" 1
824 1 87 VAL HB 1 101 THR MG 1.800 . 5.000 3.002 1.775 5.004 0.025 20 0 "[ . 1 . 2]" 1
825 1 87 VAL QG 1 90 TYR QD 1.800 . 5.000 3.732 3.466 4.336 . 0 0 "[ . 1 . 2]" 1
826 1 87 VAL QG 1 90 TYR QE 1.800 . 5.000 4.440 2.908 5.064 0.064 13 0 "[ . 1 . 2]" 1
827 1 87 VAL MG1 1 101 THR MG 1.800 . 5.000 2.929 1.868 4.095 . 0 0 "[ . 1 . 2]" 1
828 1 87 VAL QG 1 110 LEU MD1 1.800 . 5.000 2.767 2.131 3.610 . 0 0 "[ . 1 . 2]" 1
829 1 87 VAL QG 1 110 LEU MD2 1.800 . 5.000 3.344 2.766 4.325 . 0 0 "[ . 1 . 2]" 1
830 1 87 VAL QG 1 114 LEU MD1 1.800 . 5.000 3.188 2.279 3.868 . 0 0 "[ . 1 . 2]" 1
831 1 88 VAL HB 1 95 VAL MG1 1.800 . 5.000 2.022 1.787 3.347 0.013 4 0 "[ . 1 . 2]" 1
832 1 88 VAL HB 1 95 VAL MG2 1.800 . 5.000 2.933 1.776 3.278 0.024 19 0 "[ . 1 . 2]" 1
833 1 88 VAL QG 1 95 VAL HB 1.800 . 5.000 4.014 2.298 4.814 . 0 0 "[ . 1 . 2]" 1
834 1 88 VAL MG1 1 95 VAL MG1 1.800 . 5.000 2.739 2.095 3.682 . 0 0 "[ . 1 . 2]" 1
835 1 88 VAL MG1 1 95 VAL MG2 1.800 . 5.000 3.465 2.343 4.125 . 0 0 "[ . 1 . 2]" 1
836 1 88 VAL MG2 1 95 VAL MG1 1.800 . 5.000 2.670 1.993 3.613 . 0 0 "[ . 1 . 2]" 1
837 1 88 VAL MG2 1 95 VAL MG2 1.800 . 5.000 1.984 1.780 3.274 0.020 20 0 "[ . 1 . 2]" 1
838 1 90 TYR QE 1 99 LEU MD1 1.800 . 5.000 2.871 1.792 4.652 0.008 6 0 "[ . 1 . 2]" 1
839 1 90 TYR QE 1 99 LEU MD2 1.800 . 5.000 2.859 1.797 4.971 0.003 18 0 "[ . 1 . 2]" 1
840 1 91 ALA MB 1 94 GLN HB2 1.800 . 5.000 2.238 1.873 2.811 . 0 0 "[ . 1 . 2]" 1
841 1 91 ALA MB 1 94 GLN HB3 1.800 . 5.000 2.320 1.779 3.070 0.021 10 0 "[ . 1 . 2]" 1
842 1 91 ALA MB 1 94 GLN HG2 1.800 . 5.000 3.429 2.357 4.662 . 0 0 "[ . 1 . 2]" 1
843 1 91 ALA MB 1 94 GLN HG3 1.800 . 5.000 3.830 2.571 4.403 . 0 0 "[ . 1 . 2]" 1
844 1 91 ALA MB 1 94 GLN HE21 1.800 . 5.000 3.866 2.888 4.966 . 0 0 "[ . 1 . 2]" 1
845 1 91 ALA MB 1 94 GLN HE22 1.800 . 5.000 3.998 2.742 5.049 0.049 5 0 "[ . 1 . 2]" 1
846 1 96 ASP HB2 1 99 LEU MD1 1.800 . 5.000 3.167 1.791 4.128 0.009 10 0 "[ . 1 . 2]" 1
847 1 96 ASP HB3 1 99 LEU MD1 1.800 . 5.000 2.240 1.757 3.151 0.043 6 0 "[ . 1 . 2]" 1
848 1 99 LEU HB2 1 101 THR MG 1.800 . 5.000 4.338 3.496 5.036 0.036 19 0 "[ . 1 . 2]" 1
849 1 99 LEU HB3 1 101 THR MG 1.800 . 5.000 2.925 2.292 3.785 . 0 0 "[ . 1 . 2]" 1
850 1 99 LEU HG 1 101 THR MG 1.800 . 5.000 4.554 3.194 5.038 0.038 9 0 "[ . 1 . 2]" 1
851 1 99 LEU MD1 1 101 THR MG 1.800 . 5.000 3.849 2.840 5.009 0.009 10 0 "[ . 1 . 2]" 1
852 1 99 LEU MD2 1 101 THR MG 1.800 . 5.000 2.936 1.902 3.740 . 0 0 "[ . 1 . 2]" 1
853 1 104 HIS QB 1 110 LEU QB 1.800 . 5.000 2.133 1.902 2.403 . 0 0 "[ . 1 . 2]" 1
854 1 104 HIS HB2 1 110 LEU MD1 1.800 . 5.000 2.395 1.923 2.934 . 0 0 "[ . 1 . 2]" 1
855 1 104 HIS HB3 1 110 LEU MD1 1.800 . 5.000 3.645 3.089 4.335 . 0 0 "[ . 1 . 2]" 1
856 1 104 HIS HE1 1 113 THR MG 1.800 . 4.000 3.057 1.800 4.012 0.012 8 0 "[ . 1 . 2]" 1
857 1 106 THR HB 1 108 TYR QD 1.800 . 5.000 2.312 1.788 3.740 0.012 20 0 "[ . 1 . 2]" 1
858 1 106 THR MG 1 108 TYR QD 1.800 . 5.000 3.190 1.799 3.953 0.001 6 0 "[ . 1 . 2]" 1
859 1 107 VAL MG2 1 111 LEU MD2 1.800 . 5.000 2.916 1.828 3.334 . 0 0 "[ . 1 . 2]" 1
860 1 107 VAL MG2 1 110 LEU MD2 1.800 . 5.000 3.000 2.353 3.283 . 0 0 "[ . 1 . 2]" 1
861 1 109 SER QB 1 112 ASP QB 1.800 . 5.000 4.330 3.612 4.923 . 0 0 "[ . 1 . 2]" 1
862 1 110 LEU HG 1 114 LEU MD1 1.800 . 5.000 2.364 1.950 4.726 . 0 0 "[ . 1 . 2]" 1
863 1 110 LEU MD2 1 114 LEU HG 1.800 . 5.000 4.618 4.187 4.999 . 0 0 "[ . 1 . 2]" 1
864 1 110 LEU MD1 1 114 LEU MD1 1.800 . 5.000 2.646 2.007 4.173 . 0 0 "[ . 1 . 2]" 1
865 1 110 LEU MD1 1 113 THR HB 1.800 . 5.000 4.445 3.250 5.044 0.044 2 0 "[ . 1 . 2]" 1
866 1 110 LEU MD1 1 113 THR MG 1.800 . 5.000 3.711 2.759 4.382 . 0 0 "[ . 1 . 2]" 1
867 1 110 LEU MD2 1 114 LEU MD1 1.800 . 5.000 3.007 2.501 5.007 0.007 5 0 "[ . 1 . 2]" 1
868 1 111 LEU MD1 1 114 LEU MD1 1.800 . 5.000 2.632 2.069 4.365 . 0 0 "[ . 1 . 2]" 1
869 1 111 LEU MD2 1 118 TYR QD 1.800 . 5.000 2.398 1.791 4.990 0.009 15 0 "[ . 1 . 2]" 1
870 1 111 LEU MD2 1 118 TYR QE 1.800 . 5.000 3.060 1.881 5.013 0.013 5 0 "[ . 1 . 2]" 1
871 1 112 ASP HB2 1 118 TYR QE 1.800 . 5.000 2.882 2.113 3.675 . 0 0 "[ . 1 . 2]" 1
872 1 112 ASP HB3 1 118 TYR QE 1.800 . 5.000 4.458 3.825 5.011 0.011 10 0 "[ . 1 . 2]" 1
873 1 115 SER QB 1 118 TYR QD 1.800 . 5.000 4.568 3.650 5.042 0.042 15 0 "[ . 1 . 2]" 1
874 1 118 TYR QE 1 122 PHE QB 1.800 . 5.000 3.921 3.340 5.025 0.025 4 0 "[ . 1 . 2]" 1
875 1 118 TYR QE 1 122 PHE QD 1.800 . 5.000 4.007 2.935 4.973 . 0 0 "[ . 1 . 2]" 1
876 1 121 ALA MB 1 124 ASN QB 1.800 . 5.000 3.901 2.915 4.740 . 0 0 "[ . 1 . 2]" 1
877 1 122 PHE QB 1 126 LEU QD 1.800 . 5.000 3.974 2.619 4.702 . 0 0 "[ . 1 . 2]" 1
878 1 122 PHE QE 1 125 ALA MB 1.800 . 5.000 4.763 3.826 5.021 0.021 12 0 "[ . 1 . 2]" 1
879 1 124 ASN QB 1 127 LEU MD1 1.800 . 5.000 3.973 2.942 4.840 . 0 0 "[ . 1 . 2]" 1
880 1 124 ASN QD 1 127 LEU QD 1.800 . 5.000 3.230 1.780 4.456 0.020 12 0 "[ . 1 . 2]" 1
881 1 125 ALA MB 1 129 ARG QD 1.800 . 5.000 4.474 3.099 5.045 0.045 15 0 "[ . 1 . 2]" 1
882 1 126 LEU MD1 1 129 ARG QD 1.800 . 5.000 4.206 3.003 5.040 0.040 20 0 "[ . 1 . 2]" 1
883 1 127 LEU MD1 1 131 GLU QG 1.800 . 5.000 4.094 2.569 5.021 0.021 9 0 "[ . 1 . 2]" 1
884 1 129 ARG QB 1 132 ALA MB 1.800 . 5.000 4.243 2.886 5.028 0.028 15 0 "[ . 1 . 2]" 1
885 1 129 ARG QD 1 132 ALA MB 1.800 . 5.000 4.431 2.548 5.070 0.070 2 0 "[ . 1 . 2]" 1
886 1 130 LEU QD 1 134 LYS QG 1.800 . 5.000 4.257 2.346 5.039 0.039 2 0 "[ . 1 . 2]" 1
887 1 131 GLU QG 1 135 ARG QD 1.800 . 5.000 4.410 3.374 5.046 0.046 3 0 "[ . 1 . 2]" 1
888 1 35 LEU H 1 35 LEU MD1 1.800 . 5.000 3.711 3.344 4.392 . 0 0 "[ . 1 . 2]" 1
889 1 35 LEU HA 1 35 LEU MD1 1.800 . 5.000 3.348 2.252 4.005 . 0 0 "[ . 1 . 2]" 1
890 1 38 GLU H 1 38 GLU QG 1.800 . 5.000 3.109 1.984 4.048 . 0 0 "[ . 1 . 2]" 1
891 1 51 MET HA 1 51 MET ME 1.800 . 5.000 4.239 3.667 4.520 . 0 0 "[ . 1 . 2]" 1
892 1 70 THR H 1 70 THR HG1 1.800 . 5.000 2.838 2.031 3.645 . 0 0 "[ . 1 . 2]" 1
893 1 71 LYS HA 1 71 LYS QD 1.800 . 5.000 4.027 3.848 4.513 . 0 0 "[ . 1 . 2]" 1
894 1 73 ARG H 1 73 ARG QG 1.800 . 5.000 3.331 2.634 4.539 . 0 0 "[ . 1 . 2]" 1
895 1 73 ARG H 1 73 ARG QD 1.800 . 5.000 4.494 2.398 5.015 0.015 2 0 "[ . 1 . 2]" 1
896 1 74 ASN H 1 74 ASN QD 1.800 . 5.000 3.728 2.349 4.677 . 0 0 "[ . 1 . 2]" 1
897 1 80 LEU HA 1 80 LEU MD1 1.800 . 5.000 2.085 1.991 2.133 . 0 0 "[ . 1 . 2]" 1
898 1 80 LEU HA 1 80 LEU MD2 1.800 . 5.000 3.878 3.844 3.898 . 0 0 "[ . 1 . 2]" 1
899 1 85 LEU H 1 85 LEU MD2 1.800 . 5.000 4.220 3.934 4.335 . 0 0 "[ . 1 . 2]" 1
900 1 98 HIS H 1 98 HIS HD2 1.800 . 5.000 4.358 2.816 5.038 0.038 5 0 "[ . 1 . 2]" 1
901 1 99 LEU HA 1 99 LEU MD1 1.800 . 5.000 3.457 2.804 3.827 . 0 0 "[ . 1 . 2]" 1
902 1 99 LEU HA 1 99 LEU MD2 1.800 . 5.000 2.587 1.789 3.707 0.011 1 0 "[ . 1 . 2]" 1
903 1 110 LEU HA 1 110 LEU MD1 1.800 . 5.000 2.165 2.072 2.375 . 0 0 "[ . 1 . 2]" 1
904 1 110 LEU HA 1 110 LEU MD2 1.800 . 5.000 3.916 3.883 3.975 . 0 0 "[ . 1 . 2]" 1
905 1 111 LEU HA 1 111 LEU MD1 1.800 . 5.000 1.996 1.924 2.294 . 0 0 "[ . 1 . 2]" 1
906 1 114 LEU HA 1 114 LEU MD1 1.800 . 5.000 3.770 1.847 3.921 . 0 0 "[ . 1 . 2]" 1
907 1 114 LEU HA 1 114 LEU MD2 1.800 . 5.000 2.078 1.949 2.497 . 0 0 "[ . 1 . 2]" 1
908 1 119 ARG H 1 119 ARG QG 1.800 . 5.000 2.252 1.811 2.878 . 0 0 "[ . 1 . 2]" 1
909 1 122 PHE HA 1 122 PHE QE 1.800 . 5.000 4.543 4.467 4.625 . 0 0 "[ . 1 . 2]" 1
910 1 124 ASN H 1 124 ASN QD 1.800 . 5.000 3.957 2.086 4.463 . 0 0 "[ . 1 . 2]" 1
911 1 39 ALA MB 1 40 VAL MG2 1.800 . 5.000 3.092 2.942 3.224 . 0 0 "[ . 1 . 2]" 1
912 1 41 VAL MG1 1 42 ASN HA 1.800 . 5.000 3.231 3.026 3.500 . 0 0 "[ . 1 . 2]" 1
913 1 46 PHE QD 1 47 ALA MB 1.800 . 5.000 4.053 3.489 5.023 0.023 4 0 "[ . 1 . 2]" 1
914 1 49 ASN QB 1 50 ASN QB 1.800 . 5.000 3.377 2.953 3.602 . 0 0 "[ . 1 . 2]" 1
915 1 56 SER QB 1 57 LEU MD2 1.800 . 5.000 3.991 2.500 5.018 0.018 7 0 "[ . 1 . 2]" 1
916 1 59 CYS HA 1 60 ALA MB 1.800 . 5.000 4.075 3.911 4.449 . 0 0 "[ . 1 . 2]" 1
917 1 60 ALA MB 1 61 ASP QB 1.800 . 5.000 3.672 2.721 4.663 . 0 0 "[ . 1 . 2]" 1
918 1 63 VAL MG1 1 64 ALA HA 1.800 . 5.000 3.686 3.303 3.997 . 0 0 "[ . 1 . 2]" 1
919 1 63 VAL MG1 1 64 ALA MB 1.800 . 5.000 4.391 4.166 4.598 . 0 0 "[ . 1 . 2]" 1
920 1 64 ALA MB 1 65 TYR HA 1.800 . 5.000 4.302 4.228 4.354 . 0 0 "[ . 1 . 2]" 1
921 1 65 TYR HA 1 66 ILE HB 1.800 . 5.000 4.616 4.493 4.712 . 0 0 "[ . 1 . 2]" 1
922 1 82 GLU QB 1 83 ALA MB 1.800 . 5.000 4.244 3.740 4.788 . 0 0 "[ . 1 . 2]" 1
923 1 95 VAL MG1 1 96 ASP HA 1.800 . 5.000 3.733 3.084 4.194 . 0 0 "[ . 1 . 2]" 1
924 1 101 THR HA 1 102 PRO QB 1.800 . 5.000 4.661 4.515 4.828 . 0 0 "[ . 1 . 2]" 1
925 1 101 THR HA 1 102 PRO HD2 1.800 . 4.000 2.497 1.959 3.135 . 0 0 "[ . 1 . 2]" 1
926 1 101 THR HA 1 102 PRO HD3 1.800 . 4.000 2.117 1.784 2.486 0.016 18 0 "[ . 1 . 2]" 1
927 1 101 THR MG 1 102 PRO QD 1.800 . 5.000 2.916 2.279 3.872 . 0 0 "[ . 1 . 2]" 1
928 1 102 PRO HA 1 103 TYR QD 1.800 . 5.000 3.867 3.006 4.348 . 0 0 "[ . 1 . 2]" 1
929 1 105 GLU QB 1 106 THR MG 1.800 . 5.000 3.005 2.457 4.732 . 0 0 "[ . 1 . 2]" 1
930 1 105 GLU HG2 1 106 THR MG 1.800 . 5.000 3.475 1.784 5.102 0.102 2 0 "[ . 1 . 2]" 1
931 1 105 GLU HG3 1 106 THR MG 1.800 . 5.000 3.903 1.798 5.030 0.030 18 0 "[ . 1 . 2]" 1
932 1 106 THR HA 1 107 VAL MG1 1.800 . 5.000 4.034 3.803 4.352 . 0 0 "[ . 1 . 2]" 1
933 1 106 THR HB 1 107 VAL MG1 1.800 . 5.000 3.561 3.081 4.758 . 0 0 "[ . 1 . 2]" 1
934 1 106 THR MG 1 107 VAL MG1 1.800 . 5.000 4.284 2.533 4.745 . 0 0 "[ . 1 . 2]" 1
935 1 107 VAL MG1 1 108 TYR HA 1.800 . 5.000 3.216 3.139 3.257 . 0 0 "[ . 1 . 2]" 1
936 1 107 VAL MG1 1 108 TYR QD 1.800 . 5.000 3.003 2.697 3.230 . 0 0 "[ . 1 . 2]" 1
937 1 107 VAL MG1 1 108 TYR QE 1.800 . 5.000 3.245 3.016 3.461 . 0 0 "[ . 1 . 2]" 1
938 1 110 LEU MD2 1 111 LEU MD1 1.800 . 5.000 4.064 2.674 4.450 . 0 0 "[ . 1 . 2]" 1
939 1 110 LEU MD2 1 111 LEU HA 1.800 . 5.000 4.326 3.952 4.550 . 0 0 "[ . 1 . 2]" 1
940 1 113 THR MG 1 114 LEU MD1 1.800 . 5.000 4.665 3.711 5.084 0.084 13 0 "[ . 1 . 2]" 1
941 1 113 THR MG 1 114 LEU MD2 1.800 . 5.000 3.709 2.434 4.865 . 0 0 "[ . 1 . 2]" 1
942 1 115 SER HA 1 116 PRO HD2 1.800 . 4.000 2.180 1.875 2.522 . 0 0 "[ . 1 . 2]" 1
943 1 115 SER HA 1 116 PRO HD3 1.800 . 4.000 2.240 1.904 2.577 . 0 0 "[ . 1 . 2]" 1
944 1 118 TYR QD 1 119 ARG HA 1.800 . 5.000 3.484 3.011 4.054 . 0 0 "[ . 1 . 2]" 1
945 1 118 TYR QD 1 119 ARG HG2 1.800 . 5.000 3.358 2.512 4.456 . 0 0 "[ . 1 . 2]" 1
946 1 118 TYR QD 1 119 ARG HG3 1.800 . 5.000 3.261 2.461 5.036 0.036 9 0 "[ . 1 . 2]" 1
947 1 118 TYR QD 1 119 ARG QD 1.800 . 5.000 3.868 2.147 5.050 0.050 11 0 "[ . 1 . 2]" 1
948 1 123 GLY QA 1 124 ASN QB 1.800 . 5.000 4.379 4.192 4.651 . 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 52
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 102.375
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0200
_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 33 MET 0.052 0.014 4 0 "[ . 1 . 2]"
1 34 ARG 0.068 0.031 6 0 "[ . 1 . 2]"
1 35 LEU 0.220 0.065 8 0 "[ . 1 . 2]"
1 36 GLU 0.029 0.019 2 0 "[ . 1 . 2]"
1 37 ALA 0.070 0.014 4 0 "[ . 1 . 2]"
1 38 GLU 0.068 0.031 6 0 "[ . 1 . 2]"
1 39 ALA 0.220 0.065 8 0 "[ . 1 . 2]"
1 40 VAL 0.029 0.019 2 0 "[ . 1 . 2]"
1 41 VAL 0.018 0.010 6 0 "[ . 1 . 2]"
1 50 ASN 0.525 0.053 3 0 "[ . 1 . 2]"
1 52 PHE 0.342 0.046 9 0 "[ . 1 . 2]"
1 54 SER 0.262 0.051 9 0 "[ . 1 . 2]"
1 64 ALA 0.159 0.037 5 0 "[ . 1 . 2]"
1 65 TYR 0.262 0.051 9 0 "[ . 1 . 2]"
1 66 ILE 0.560 0.038 9 0 "[ . 1 . 2]"
1 67 ASN 0.342 0.046 9 0 "[ . 1 . 2]"
1 68 VAL 0.233 0.041 8 0 "[ . 1 . 2]"
1 69 GLU 0.525 0.053 3 0 "[ . 1 . 2]"
1 70 THR 0.053 0.022 17 0 "[ . 1 . 2]"
1 73 ARG 0.053 0.022 17 0 "[ . 1 . 2]"
1 76 TYR 0.233 0.041 8 0 "[ . 1 . 2]"
1 77 CYS 0.196 0.033 8 0 "[ . 1 . 2]"
1 78 LEU 0.560 0.038 9 0 "[ . 1 . 2]"
1 79 GLU 1.117 0.069 4 0 "[ . 1 . 2]"
1 80 LEU 0.159 0.037 5 0 "[ . 1 . 2]"
1 81 THR 0.037 0.015 12 0 "[ . 1 . 2]"
1 84 GLY 0.037 0.015 12 0 "[ . 1 . 2]"
1 85 LEU 0.347 0.053 11 0 "[ . 1 . 2]"
1 86 LYS 1.117 0.069 4 0 "[ . 1 . 2]"
1 88 VAL 0.084 0.033 8 0 "[ . 1 . 2]"
1 89 GLY 0.112 0.027 20 0 "[ . 1 . 2]"
1 104 HIS 0.347 0.053 11 0 "[ . 1 . 2]"
1 107 VAL 0.237 0.054 6 0 "[ . 1 . 2]"
1 108 TYR 0.374 0.052 11 0 "[ . 1 . 2]"
1 111 LEU 0.529 0.054 6 0 "[ . 1 . 2]"
1 112 ASP 0.374 0.052 11 0 "[ . 1 . 2]"
1 114 LEU 0.293 0.052 10 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 33 MET O 1 37 ALA N 2.800 2.800 3.300 2.838 2.786 3.000 0.014 4 0 "[ . 1 . 2]" 2
2 1 33 MET O 1 37 ALA H 1.800 . 2.300 2.070 1.962 2.195 . 0 0 "[ . 1 . 2]" 2
3 1 34 ARG O 1 38 GLU N 2.800 2.800 3.300 2.975 2.769 3.258 0.031 6 0 "[ . 1 . 2]" 2
4 1 34 ARG O 1 38 GLU H 1.800 . 2.300 2.031 1.810 2.316 0.016 15 0 "[ . 1 . 2]" 2
5 1 35 LEU O 1 39 ALA N 2.800 2.800 3.300 3.076 2.813 3.309 0.009 8 0 "[ . 1 . 2]" 2
6 1 35 LEU O 1 39 ALA H 1.800 . 2.300 2.150 1.865 2.365 0.065 8 0 "[ . 1 . 2]" 2
7 1 36 GLU O 1 40 VAL N 2.800 2.800 3.300 3.015 2.781 3.223 0.019 2 0 "[ . 1 . 2]" 2
8 1 36 GLU O 1 40 VAL H 1.800 . 2.300 2.077 1.816 2.306 0.006 11 0 "[ . 1 . 2]" 2
9 1 37 ALA O 1 41 VAL N 2.800 2.800 3.300 2.902 2.790 3.003 0.010 6 0 "[ . 1 . 2]" 2
10 1 37 ALA O 1 41 VAL H 1.800 . 2.300 1.938 1.816 2.051 . 0 0 "[ . 1 . 2]" 2
11 1 50 ASN O 1 69 GLU N 2.800 2.800 3.300 2.784 2.747 2.879 0.053 3 0 "[ . 1 . 2]" 2
12 1 50 ASN O 1 69 GLU H 1.800 . 2.300 1.862 1.780 1.956 0.020 2 0 "[ . 1 . 2]" 2
13 1 52 PHE O 1 67 ASN N 2.800 2.800 3.300 2.809 2.754 3.014 0.046 9 0 "[ . 1 . 2]" 2
14 1 52 PHE O 1 67 ASN H 1.800 . 2.300 1.919 1.800 2.126 0.000 5 0 "[ . 1 . 2]" 2
15 1 64 ALA O 1 80 LEU N 2.800 2.800 3.300 2.829 2.784 2.934 0.016 20 0 "[ . 1 . 2]" 2
16 1 64 ALA O 1 80 LEU H 1.800 . 2.300 1.913 1.837 2.073 . 0 0 "[ . 1 . 2]" 2
17 1 54 SER N 1 65 TYR O 2.800 2.800 3.300 2.910 2.750 3.248 0.050 9 0 "[ . 1 . 2]" 2
18 1 54 SER H 1 65 TYR O 1.800 . 2.300 2.016 1.807 2.351 0.051 9 0 "[ . 1 . 2]" 2
19 1 66 ILE O 1 78 LEU N 2.800 2.800 3.300 2.796 2.765 2.961 0.035 1 0 "[ . 1 . 2]" 2
20 1 66 ILE O 1 78 LEU H 1.800 . 2.300 1.819 1.787 1.999 0.013 2 0 "[ . 1 . 2]" 2
21 1 52 PHE N 1 67 ASN O 2.800 2.800 3.300 2.920 2.788 3.120 0.012 11 0 "[ . 1 . 2]" 2
22 1 52 PHE H 1 67 ASN O 1.800 . 2.300 1.956 1.848 2.138 . 0 0 "[ . 1 . 2]" 2
23 1 68 VAL O 1 76 TYR N 2.800 2.800 3.300 2.834 2.759 3.078 0.041 8 0 "[ . 1 . 2]" 2
24 1 68 VAL O 1 76 TYR H 1.800 . 2.300 1.877 1.794 2.096 0.006 11 0 "[ . 1 . 2]" 2
25 1 70 THR O 1 73 ARG N 2.800 2.800 3.300 2.838 2.778 2.988 0.022 17 0 "[ . 1 . 2]" 2
26 1 70 THR O 1 73 ARG H 1.800 . 2.300 1.968 1.893 2.081 . 0 0 "[ . 1 . 2]" 2
27 1 68 VAL N 1 76 TYR O 2.800 2.800 3.300 2.956 2.785 3.219 0.015 19 0 "[ . 1 . 2]" 2
28 1 68 VAL H 1 76 TYR O 1.800 . 2.300 1.994 1.813 2.247 . 0 0 "[ . 1 . 2]" 2
29 1 77 CYS O 1 88 VAL N 2.800 2.800 3.300 2.897 2.767 3.041 0.033 8 0 "[ . 1 . 2]" 2
30 1 77 CYS O 1 88 VAL H 1.800 . 2.300 1.943 1.792 2.139 0.008 8 0 "[ . 1 . 2]" 2
31 1 66 ILE N 1 78 LEU O 2.800 2.800 3.300 2.817 2.762 2.982 0.038 9 0 "[ . 1 . 2]" 2
32 1 66 ILE H 1 78 LEU O 1.800 . 2.300 1.856 1.803 2.020 . 0 0 "[ . 1 . 2]" 2
33 1 79 GLU O 1 86 LYS N 2.800 2.800 3.300 3.093 2.873 3.305 0.005 8 0 "[ . 1 . 2]" 2
34 1 79 GLU O 1 86 LYS H 1.800 . 2.300 2.160 1.894 2.324 0.024 8 0 "[ . 1 . 2]" 2
35 1 64 ALA N 1 80 LEU O 2.800 2.800 3.300 2.941 2.792 3.241 0.008 3 0 "[ . 1 . 2]" 2
36 1 64 ALA H 1 80 LEU O 1.800 . 2.300 2.038 1.850 2.337 0.037 5 0 "[ . 1 . 2]" 2
37 1 81 THR O 1 84 GLY N 2.800 2.800 3.300 3.036 2.887 3.194 . 0 0 "[ . 1 . 2]" 2
38 1 81 THR O 1 84 GLY H 1.800 . 2.300 2.136 1.973 2.315 0.015 12 0 "[ . 1 . 2]" 2
39 1 81 THR N 1 84 GLY O 2.800 2.800 3.300 2.939 2.786 3.252 0.014 15 0 "[ . 1 . 2]" 2
40 1 81 THR H 1 84 GLY O 1.800 . 2.300 1.983 1.801 2.295 . 0 0 "[ . 1 . 2]" 2
41 1 79 GLU N 1 86 LYS O 2.800 2.800 3.300 2.760 2.731 2.825 0.069 4 0 "[ . 1 . 2]" 2
42 1 79 GLU H 1 86 LYS O 1.800 . 2.300 1.798 1.771 1.877 0.029 1 0 "[ . 1 . 2]" 2
43 1 77 CYS N 1 89 GLY O 2.800 2.800 3.300 2.857 2.773 3.237 0.027 20 0 "[ . 1 . 2]" 2
44 1 77 CYS H 1 89 GLY O 1.800 . 2.300 1.884 1.795 2.288 0.005 20 0 "[ . 1 . 2]" 2
45 1 85 LEU N 1 104 HIS O 2.800 2.800 3.300 2.866 2.747 3.182 0.053 11 0 "[ . 1 . 2]" 2
46 1 85 LEU H 1 104 HIS O 1.800 . 2.300 1.912 1.781 2.225 0.019 11 0 "[ . 1 . 2]" 2
47 1 107 VAL O 1 111 LEU N 2.800 2.800 3.300 2.806 2.746 2.880 0.054 6 0 "[ . 1 . 2]" 2
48 1 107 VAL O 1 111 LEU H 1.800 . 2.300 1.840 1.801 1.906 . 0 0 "[ . 1 . 2]" 2
49 1 108 TYR O 1 112 ASP N 2.800 2.800 3.300 3.096 2.960 3.203 . 0 0 "[ . 1 . 2]" 2
50 1 108 TYR O 1 112 ASP H 1.800 . 2.300 2.292 2.127 2.352 0.052 11 0 "[ . 1 . 2]" 2
51 1 111 LEU O 1 114 LEU N 2.800 2.800 3.300 3.131 3.022 3.227 . 0 0 "[ . 1 . 2]" 2
52 1 111 LEU O 1 114 LEU H 1.800 . 2.300 2.289 2.170 2.352 0.052 10 0 "[ . 1 . 2]" 2
stop_
save_
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