NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557181 |
2m3k   |
18966 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3k
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 757
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 146.031
_Distance_constraint_stats_list.Viol_max 12.348
_Distance_constraint_stats_list.Viol_rms 1.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1929
_Distance_constraint_stats_list.Viol_average_violations_only 0.9421
_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 3 GLU 0.000 0.000 . 0 "[ ]"
1 4 PHE 0.881 0.419 1 0 "[ ]"
1 5 GLU 0.008 0.008 1 0 "[ ]"
1 6 LYS 0.303 0.162 1 0 "[ ]"
1 7 ALA 0.063 0.031 1 0 "[ ]"
1 8 LYS 0.856 0.419 1 0 "[ ]"
1 9 ILE 0.814 0.318 1 0 "[ ]"
1 10 ASN 0.079 0.045 1 0 "[ ]"
1 11 ALA 0.158 0.108 1 0 "[ ]"
1 12 VAL 0.195 0.082 1 0 "[ ]"
1 13 ARG 0.894 0.893 1 1 [+]
1 14 ALA 0.232 0.178 1 0 "[ ]"
1 15 ALA 1.115 0.855 1 1 [+]
1 16 LEU 1.877 1.185 1 1 [+]
1 17 LEU 0.233 0.142 1 0 "[ ]"
1 18 GLU 0.075 0.075 1 0 "[ ]"
1 19 ASN 3.363 2.051 1 1 [+]
1 20 ALA 0.000 0.000 . 0 "[ ]"
1 21 HIS 0.098 0.061 1 0 "[ ]"
1 22 PHE 5.689 2.051 1 1 [+]
1 23 MET 3.154 1.403 1 1 [+]
1 24 GLU 0.554 0.481 1 0 "[ ]"
1 25 LYS 0.000 0.000 . 0 "[ ]"
1 26 PHE 1.782 1.782 1 1 [+]
1 27 TYR 0.653 0.653 1 1 [+]
1 28 LEU 0.161 0.089 1 0 "[ ]"
1 29 GLN 0.000 0.000 . 0 "[ ]"
1 30 ASN 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 38 THR 6.629 6.552 1 1 [+]
1 40 TRP 54.948 12.348 1 1 [+]
1 41 PRO 0.000 0.000 . 0 "[ ]"
1 42 SER 4.001 3.455 1 1 [+]
1 43 LEU 3.749 2.453 1 1 [+]
1 44 PRO 0.054 0.054 1 0 "[ ]"
1 45 ILE 4.213 2.767 1 1 [+]
1 46 LYS 5.907 3.455 1 1 [+]
1 47 GLU 0.427 0.138 1 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 GLU 0.061 0.061 1 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 PHE 0.219 0.135 1 0 "[ ]"
1 52 CYS 0.218 0.138 1 0 "[ ]"
1 53 ILE 4.276 2.314 1 1 [+]
1 54 ARG 0.040 0.040 1 0 "[ ]"
1 55 LEU 6.087 2.767 1 1 [+]
1 59 ALA 31.765 12.348 1 1 [+]
1 62 ALA 26.408 7.095 1 1 [+]
1 66 LYS 10.481 10.381 1 1 [+]
1 67 PHE 0.830 0.830 1 1 [+]
1 68 MET 7.543 7.286 1 1 [+]
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.318 0.203 1 0 "[ ]"
1 71 ALA 1.093 0.759 1 1 [+]
1 72 VAL 2.131 0.930 1 1 [+]
1 73 ALA 0.351 0.135 1 0 "[ ]"
1 74 ILE 0.410 0.174 1 0 "[ ]"
1 75 ASP 0.237 0.220 1 0 "[ ]"
1 76 LYS 7.011 4.559 1 1 [+]
1 77 ASP 0.000 0.000 . 0 "[ ]"
1 78 LYS 0.332 0.167 1 0 "[ ]"
1 79 ASN 0.244 0.107 1 0 "[ ]"
1 80 PRO 3.149 3.050 1 1 [+]
1 81 PHE 8.440 4.256 1 1 [+]
1 82 ILE 11.847 5.169 1 1 [+]
1 83 ILE 0.722 0.134 1 0 "[ ]"
1 84 LYS 0.000 0.000 . 0 "[ ]"
1 85 MET 1.229 0.476 1 0 "[ ]"
1 86 ASN 0.000 0.000 . 0 "[ ]"
1 87 GLU 0.830 0.830 1 1 [+]
1 88 ASN 1.055 0.818 1 1 [+]
1 89 LEU 1.541 0.818 1 1 [+]
1 90 VAL 1.249 0.954 1 1 [+]
1 91 THR 2.290 1.185 1 1 [+]
1 92 PHE 0.315 0.139 1 0 "[ ]"
1 93 ILE 1.861 0.607 1 1 [+]
1 94 CYS 0.000 0.000 . 0 "[ ]"
1 95 LYS 4.138 2.926 1 1 [+]
1 96 LYS 0.000 0.000 . 0 "[ ]"
1 97 SER 1.618 1.618 1 1 [+]
1 98 ALA 5.920 4.559 1 1 [+]
1 99 SER 1.618 1.618 1 1 [+]
1 100 SER 1.245 0.930 1 1 [+]
1 101 CYS 0.844 0.844 1 1 [+]
1 102 SER 0.040 0.040 1 0 "[ ]"
1 103 ASP 0.040 0.040 1 0 "[ ]"
1 104 GLY 0.844 0.844 1 1 [+]
1 105 LEU 0.348 0.220 1 0 "[ ]"
1 106 ASP 0.465 0.245 1 0 "[ ]"
1 107 TYR 0.000 0.000 . 0 "[ ]"
1 108 PHE 1.596 1.596 1 1 [+]
1 109 LYS 1.816 1.596 1 1 [+]
1 112 ASP 0.000 0.000 . 0 "[ ]"
1 113 LYS 9.440 4.334 1 1 [+]
1 114 ASP 16.051 5.169 1 1 [+]
1 115 CYS 0.000 0.000 . 0 "[ ]"
1 116 LYS 0.626 0.607 1 1 [+]
1 117 LEU 1.445 0.954 1 1 [+]
1 118 PHE 0.187 0.116 1 0 "[ ]"
1 119 LYS 0.338 0.151 1 0 "[ ]"
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 26 PHE QB 1 26 PHE QD 2.553 . 3.368 2.135 2.135 2.135 . 0 0 "[ ]" 1
2 1 84 LYS H 1 92 PHE H 2.819 . 3.813 2.506 2.506 2.506 . 0 0 "[ ]" 1
3 1 20 ALA H 1 21 HIS H 2.599 . 3.443 2.424 2.424 2.424 . 0 0 "[ ]" 1
4 1 80 PRO QB 1 114 ASP QB 2.539 . 3.345 6.395 6.395 6.395 3.050 1 1 [+] 1
5 1 81 PHE QD 1 114 ASP QB 2.442 . 3.187 7.443 7.443 7.443 4.256 1 1 [+] 1
6 1 12 VAL H 1 13 ARG H 2.413 . 3.141 2.478 2.478 2.478 . 0 0 "[ ]" 1
7 1 27 TYR QB 1 89 LEU QD 2.631 . 3.496 4.149 4.149 4.149 0.653 1 1 [+] 1
8 1 50 GLY H 1 51 PHE H 2.353 . 3.045 2.613 2.613 2.613 . 0 0 "[ ]" 1
9 1 30 ASN H 1 31 GLY H 3.086 . 4.276 2.488 2.488 2.488 . 0 0 "[ ]" 1
10 1 52 CYS H 1 72 VAL H 2.803 . 3.785 2.441 2.441 2.441 . 0 0 "[ ]" 1
11 1 82 ILE H 1 94 CYS H 3.021 . 4.162 2.507 2.507 2.507 . 0 0 "[ ]" 1
12 1 82 ILE H 1 114 ASP H 2.984 . 4.097 9.266 9.266 9.266 5.169 1 1 [+] 1
13 1 82 ILE H 1 83 ILE H 3.083 . 4.271 4.367 4.367 4.367 0.096 1 0 "[ ]" 1
14 1 114 ASP HA 1 114 ASP QB 2.415 . 3.144 2.387 2.387 2.387 . 0 0 "[ ]" 1
15 1 118 PHE H 1 119 LYS H 2.856 . 3.875 3.923 3.923 3.923 0.048 1 0 "[ ]" 1
16 1 48 ALA H 1 51 PHE H 2.707 . 3.623 3.440 3.440 3.440 . 0 0 "[ ]" 1
17 1 16 LEU H 1 17 LEU H 2.660 . 3.545 2.623 2.623 2.623 . 0 0 "[ ]" 1
18 1 17 LEU H 1 18 GLU H 2.584 . 3.418 2.597 2.597 2.597 . 0 0 "[ ]" 1
19 1 89 LEU H 1 90 VAL H 2.548 . 3.359 2.621 2.621 2.621 . 0 0 "[ ]" 1
20 1 46 LYS H 1 47 GLU H 2.170 . 2.759 1.862 1.862 1.862 . 0 0 "[ ]" 1
21 1 88 ASN H 1 89 LEU H 2.334 . 3.015 2.740 2.740 2.740 . 0 0 "[ ]" 1
22 1 23 MET H 1 24 GLU H 2.734 . 3.668 2.638 2.638 2.638 . 0 0 "[ ]" 1
23 1 71 ALA H 1 83 ILE H 2.974 . 4.079 4.009 4.009 4.009 . 0 0 "[ ]" 1
24 1 9 ILE H 1 10 ASN H 2.539 . 3.345 2.845 2.845 2.845 . 0 0 "[ ]" 1
25 1 6 LYS H 1 7 ALA H 2.644 . 3.518 2.598 2.598 2.598 . 0 0 "[ ]" 1
26 1 5 GLU H 1 6 LYS H 2.530 . 3.330 2.910 2.910 2.910 . 0 0 "[ ]" 1
27 1 104 GLY H 1 105 LEU H 2.774 . 3.736 2.630 2.630 2.630 . 0 0 "[ ]" 1
28 1 103 ASP H 1 104 GLY H 2.860 . 3.882 2.467 2.467 2.467 . 0 0 "[ ]" 1
29 1 52 CYS H 1 74 ILE H 2.985 . 4.099 4.077 4.077 4.077 . 0 0 "[ ]" 1
30 1 15 ALA H 1 16 LEU H 2.368 . 3.069 2.663 2.663 2.663 . 0 0 "[ ]" 1
31 1 11 ALA H 1 12 VAL H 2.403 . 3.125 2.976 2.976 2.976 . 0 0 "[ ]" 1
32 1 88 ASN HA 1 88 ASN HB3 2.449 . 3.199 3.007 3.007 3.007 . 0 0 "[ ]" 1
33 1 77 ASP H 1 79 ASN H 2.816 . 3.807 3.292 3.292 3.292 . 0 0 "[ ]" 1
34 1 48 ALA H 1 53 ILE H 3.077 . 4.261 3.922 3.922 3.922 . 0 0 "[ ]" 1
35 1 7 ALA H 1 8 LYS H 2.473 . 3.237 2.624 2.624 2.624 . 0 0 "[ ]" 1
36 1 22 PHE H 1 23 MET H 2.596 . 3.438 2.785 2.785 2.785 . 0 0 "[ ]" 1
37 1 18 GLU H 1 19 ASN H 2.474 . 3.239 2.692 2.692 2.692 . 0 0 "[ ]" 1
38 1 21 HIS H 1 22 PHE H 2.542 . 3.350 2.404 2.404 2.404 . 0 0 "[ ]" 1
39 1 10 ASN H 1 11 ALA H 2.447 . 3.196 2.748 2.748 2.748 . 0 0 "[ ]" 1
40 1 86 ASN H 1 90 VAL H 2.926 . 3.996 3.248 3.248 3.248 . 0 0 "[ ]" 1
41 1 105 LEU H 1 106 ASP H 3.042 . 4.199 3.350 3.350 3.350 . 0 0 "[ ]" 1
42 1 13 ARG H 1 14 ALA H 2.588 . 3.425 2.583 2.583 2.583 . 0 0 "[ ]" 1
43 1 14 ALA H 1 16 LEU H 3.006 . 4.135 3.883 3.883 3.883 . 0 0 "[ ]" 1
44 1 47 GLU H 1 48 ALA H 3.054 . 4.220 4.217 4.217 4.217 . 0 0 "[ ]" 1
45 1 8 LYS H 1 9 ILE H 2.437 . 3.179 2.649 2.649 2.649 . 0 0 "[ ]" 1
46 1 28 LEU H 1 29 GLN H 3.016 . 4.153 2.544 2.544 2.544 . 0 0 "[ ]" 1
47 1 45 ILE HB 1 45 ILE QG 2.427 . 3.164 2.333 2.333 2.333 . 0 0 "[ ]" 1
48 1 74 ILE HB 1 74 ILE QG 2.416 . 3.145 2.428 2.428 2.428 . 0 0 "[ ]" 1
49 1 7 ALA HA 1 10 ASN HB3 2.537 . 3.341 3.014 3.014 3.014 . 0 0 "[ ]" 1
50 1 5 GLU QG 1 81 PHE QE 2.536 . 3.340 2.641 2.641 2.641 . 0 0 "[ ]" 1
51 1 5 GLU HB3 1 5 GLU QG 2.118 . 2.679 2.326 2.326 2.326 . 0 0 "[ ]" 1
52 1 22 PHE QD 1 23 MET H 2.741 . 3.680 3.523 3.523 3.523 . 0 0 "[ ]" 1
53 1 22 PHE H 1 22 PHE QD 2.801 . 3.782 4.099 4.099 4.099 0.317 1 0 "[ ]" 1
54 1 89 LEU HA 1 89 LEU HB3 2.628 . 3.492 2.906 2.906 2.906 . 0 0 "[ ]" 1
55 1 51 PHE QE 1 73 ALA H 3.010 . 4.142 3.486 3.486 3.486 . 0 0 "[ ]" 1
56 1 106 ASP H 1 107 TYR H 2.584 . 3.419 1.932 1.932 1.932 . 0 0 "[ ]" 1
57 1 116 LYS QB 1 116 LYS QG 2.167 . 2.754 2.086 2.086 2.086 . 0 0 "[ ]" 1
58 1 81 PHE H 1 81 PHE QD 2.833 . 3.836 2.841 2.841 2.841 . 0 0 "[ ]" 1
59 1 116 LYS HA 1 116 LYS QB 2.550 . 2.745 2.260 2.260 2.260 . 0 0 "[ ]" 1
60 1 51 PHE H 1 51 PHE QD 2.514 . 3.304 2.559 2.559 2.559 . 0 0 "[ ]" 1
61 1 93 ILE QG 1 116 LYS QB 2.106 . 2.660 3.267 3.267 3.267 0.607 1 1 [+] 1
62 1 76 LYS QG 1 113 LYS QB 2.583 . 3.417 5.597 5.597 5.597 2.180 1 1 [+] 1
63 1 89 LEU HA 1 89 LEU HB2 2.631 . 3.496 2.787 2.787 2.787 . 0 0 "[ ]" 1
64 1 52 CYS H 1 71 ALA HA 3.066 . 4.241 3.669 3.669 3.669 . 0 0 "[ ]" 1
65 1 71 ALA HA 1 72 VAL H 2.312 . 2.980 2.113 2.113 2.113 . 0 0 "[ ]" 1
66 1 94 CYS HA 1 95 LYS H 2.442 . 3.188 2.196 2.196 2.196 . 0 0 "[ ]" 1
67 1 66 LYS HB3 1 66 LYS QG 2.075 . 2.613 2.160 2.160 2.160 . 0 0 "[ ]" 1
68 1 115 CYS HA 1 116 LYS H 2.339 . 3.023 2.447 2.447 2.447 . 0 0 "[ ]" 1
69 1 95 LYS H 1 115 CYS HA 2.848 . 3.862 3.044 3.044 3.044 . 0 0 "[ ]" 1
70 1 84 LYS H 1 84 LYS HA 2.873 . 3.905 2.949 2.949 2.949 . 0 0 "[ ]" 1
71 1 71 ALA H 1 84 LYS HA 3.053 . 4.218 2.509 2.509 2.509 . 0 0 "[ ]" 1
72 1 48 ALA H 1 52 CYS HA 2.926 . 3.996 2.908 2.908 2.908 . 0 0 "[ ]" 1
73 1 18 GLU HG2 1 45 ILE MD 2.283 . 2.934 1.782 1.782 1.782 . 0 0 "[ ]" 1
74 1 93 ILE HA 1 94 CYS H 2.279 . 2.928 2.214 2.214 2.214 . 0 0 "[ ]" 1
75 1 18 GLU HG3 1 45 ILE MD 2.349 . 3.039 3.114 3.114 3.114 0.075 1 0 "[ ]" 1
76 1 18 GLU HA 1 18 GLU HG3 2.324 . 2.999 2.721 2.721 2.721 . 0 0 "[ ]" 1
77 1 52 CYS H 1 52 CYS HA 2.263 . 2.903 2.944 2.944 2.944 0.041 1 0 "[ ]" 1
78 1 3 GLU HA 1 3 GLU QG 2.306 . 2.971 2.751 2.751 2.751 . 0 0 "[ ]" 1
79 1 93 ILE H 1 93 ILE HA 2.239 . 2.866 2.931 2.931 2.931 0.065 1 0 "[ ]" 1
80 1 47 GLU HA 1 48 ALA H 2.201 . 2.807 2.185 2.185 2.185 . 0 0 "[ ]" 1
81 1 53 ILE HA 1 54 ARG H 2.502 . 3.285 2.102 2.102 2.102 . 0 0 "[ ]" 1
82 1 92 PHE HA 1 118 PHE H 2.609 . 3.460 2.927 2.927 2.927 . 0 0 "[ ]" 1
83 1 47 GLU HG3 1 105 LEU QB 2.258 . 2.895 2.966 2.966 2.966 0.071 1 0 "[ ]" 1
84 1 47 GLU HG3 1 105 LEU HG 2.556 . 3.373 3.430 3.430 3.430 0.057 1 0 "[ ]" 1
85 1 86 ASN H 1 91 THR HA 3.095 . 4.293 3.639 3.639 3.639 . 0 0 "[ ]" 1
86 1 113 LYS HA 1 113 LYS QB 2.561 . 3.381 2.474 2.474 2.474 . 0 0 "[ ]" 1
87 1 113 LYS QB 1 113 LYS QG 1.999 . 2.499 2.089 2.089 2.089 . 0 0 "[ ]" 1
88 1 47 GLU HA 1 53 ILE H 2.520 . 3.314 2.306 2.306 2.306 . 0 0 "[ ]" 1
89 1 47 GLU H 1 47 GLU HA 2.646 . 3.521 2.867 2.867 2.867 . 0 0 "[ ]" 1
90 1 12 VAL HA 1 49 GLU QG 2.583 . 3.417 2.271 2.271 2.271 . 0 0 "[ ]" 1
91 1 48 ALA MB 1 49 GLU QG 2.484 . 3.255 2.591 2.591 2.591 . 0 0 "[ ]" 1
92 1 79 ASN H 1 79 ASN HA 2.546 . 3.356 2.904 2.904 2.904 . 0 0 "[ ]" 1
93 1 18 GLU HG2 1 45 ILE QG 2.576 . 3.405 3.215 3.215 3.215 . 0 0 "[ ]" 1
94 1 82 ILE HA 1 83 ILE H 2.463 . 3.221 2.279 2.279 2.279 . 0 0 "[ ]" 1
95 1 95 LYS QB 1 95 LYS QG 2.227 . 2.847 1.996 1.996 1.996 . 0 0 "[ ]" 1
96 1 95 LYS QB 1 95 LYS QE 2.393 . 3.109 3.856 3.856 3.856 0.747 1 1 [+] 1
97 1 116 LYS HA 1 117 LEU H 2.157 . 2.739 2.210 2.210 2.210 . 0 0 "[ ]" 1
98 1 21 HIS H 1 21 HIS HA 2.609 . 3.460 2.877 2.877 2.877 . 0 0 "[ ]" 1
99 1 119 LYS HB2 1 119 LYS QG 2.284 . 2.936 2.322 2.322 2.322 . 0 0 "[ ]" 1
100 1 119 LYS HA 1 119 LYS HB2 2.214 . 2.827 2.978 2.978 2.978 0.151 1 0 "[ ]" 1
101 1 119 LYS HB3 1 119 LYS QG 2.241 . 2.869 2.349 2.349 2.349 . 0 0 "[ ]" 1
102 1 119 LYS HA 1 119 LYS HB3 2.195 . 2.797 2.589 2.589 2.589 . 0 0 "[ ]" 1
103 1 75 ASP HA 1 76 LYS H 2.107 . 2.662 2.159 2.159 2.159 . 0 0 "[ ]" 1
104 1 75 ASP HA 1 77 ASP H 2.716 . 3.638 3.284 3.284 3.284 . 0 0 "[ ]" 1
105 1 113 LYS HA 1 114 ASP H 2.511 . 3.299 2.595 2.595 2.595 . 0 0 "[ ]" 1
106 1 29 GLN QB 1 29 GLN HG3 2.097 . 2.647 2.328 2.328 2.328 . 0 0 "[ ]" 1
107 1 113 LYS H 1 113 LYS HA 2.795 . 3.771 2.808 2.808 2.808 . 0 0 "[ ]" 1
108 1 29 GLN QB 1 29 GLN HG2 2.169 . 2.757 2.351 2.351 2.351 . 0 0 "[ ]" 1
109 1 46 LYS QB 1 46 LYS HD3 2.188 . 2.786 2.412 2.412 2.412 . 0 0 "[ ]" 1
110 1 78 LYS HA 1 78 LYS HB3 2.256 . 2.892 2.957 2.957 2.957 0.065 1 0 "[ ]" 1
111 1 6 LYS QB 1 6 LYS QD 2.218 . 2.833 2.336 2.336 2.336 . 0 0 "[ ]" 1
112 1 30 ASN H 1 30 ASN HA 2.598 . 3.442 2.853 2.853 2.853 . 0 0 "[ ]" 1
113 1 6 LYS QB 1 6 LYS QE 2.630 . 3.495 3.657 3.657 3.657 0.162 1 0 "[ ]" 1
114 1 88 ASN HB3 1 90 VAL HB 2.326 . 3.002 2.808 2.808 2.808 . 0 0 "[ ]" 1
115 1 19 ASN HA 1 22 PHE H 2.994 . 4.114 2.736 2.736 2.736 . 0 0 "[ ]" 1
116 1 25 LYS HA 1 25 LYS QB 2.013 . 2.520 2.177 2.177 2.177 . 0 0 "[ ]" 1
117 1 76 LYS QB 1 109 LYS QG 2.311 . 2.979 2.092 2.092 2.092 . 0 0 "[ ]" 1
118 1 76 LYS HA 1 76 LYS QB 2.339 . 2.905 2.270 2.270 2.270 . 0 0 "[ ]" 1
119 1 106 ASP HA 1 107 TYR H 2.875 . 3.908 3.516 3.516 3.516 . 0 0 "[ ]" 1
120 1 118 PHE H 1 118 PHE HA 2.780 . 3.746 2.947 2.947 2.947 . 0 0 "[ ]" 1
121 1 41 PRO HA 1 42 SER H 2.087 . 2.632 2.146 2.146 2.146 . 0 0 "[ ]" 1
122 1 118 PHE HA 1 119 LYS H 2.180 . 2.774 2.216 2.216 2.216 . 0 0 "[ ]" 1
123 1 69 LEU HA 1 70 LYS H 2.473 . 3.237 2.204 2.204 2.204 . 0 0 "[ ]" 1
124 1 54 ARG HA 1 55 LEU H 2.731 . 3.664 2.290 2.290 2.290 . 0 0 "[ ]" 1
125 1 105 LEU H 1 105 LEU HA 2.609 . 3.460 2.740 2.740 2.740 . 0 0 "[ ]" 1
126 1 48 ALA HA 1 49 GLU H 2.233 . 2.856 2.145 2.145 2.145 . 0 0 "[ ]" 1
127 1 48 ALA H 1 48 ALA HA 2.650 . 3.528 2.858 2.858 2.858 . 0 0 "[ ]" 1
128 1 99 SER HA 1 100 SER H 2.295 . 2.953 2.734 2.734 2.734 . 0 0 "[ ]" 1
129 1 8 LYS QB 1 8 LYS QE 2.334 . 3.015 2.736 2.736 2.736 . 0 0 "[ ]" 1
130 1 95 LYS H 1 95 LYS HA 2.826 . 3.824 2.884 2.884 2.884 . 0 0 "[ ]" 1
131 1 46 LYS HA 1 47 GLU H 2.724 . 3.652 3.454 3.454 3.454 . 0 0 "[ ]" 1
132 1 10 ASN HA 1 13 ARG H 2.855 . 3.874 3.648 3.648 3.648 . 0 0 "[ ]" 1
133 1 10 ASN H 1 10 ASN HA 2.518 . 3.310 2.784 2.784 2.784 . 0 0 "[ ]" 1
134 1 103 ASP HA 1 104 GLY H 2.824 . 3.821 3.440 3.440 3.440 . 0 0 "[ ]" 1
135 1 10 ASN HA 1 11 ALA H 3.096 . 4.294 3.520 3.520 3.520 . 0 0 "[ ]" 1
136 1 103 ASP H 1 103 ASP HA 2.544 . 3.353 2.837 2.837 2.837 . 0 0 "[ ]" 1
137 1 114 ASP H 1 114 ASP HA 2.443 . 3.189 2.607 2.607 2.607 . 0 0 "[ ]" 1
138 1 40 TRP QB 1 40 TRP HD1 2.529 . 3.329 2.485 2.485 2.485 . 0 0 "[ ]" 1
139 1 24 GLU HB2 1 24 GLU QG 2.202 . 2.808 2.345 2.345 2.345 . 0 0 "[ ]" 1
140 1 77 ASP H 1 77 ASP HA 2.376 . 3.082 2.913 2.913 2.913 . 0 0 "[ ]" 1
141 1 24 GLU HB3 1 24 GLU QG 2.409 . 3.135 2.337 2.337 2.337 . 0 0 "[ ]" 1
142 1 45 ILE HA 1 46 LYS H 2.240 . 2.867 2.118 2.118 2.118 . 0 0 "[ ]" 1
143 1 24 GLU HB3 1 28 LEU QD 2.581 . 3.414 3.486 3.486 3.486 0.072 1 0 "[ ]" 1
144 1 42 SER HA 1 43 LEU H 2.134 . 2.703 2.197 2.197 2.197 . 0 0 "[ ]" 1
145 1 25 LYS QD 1 25 LYS HG2 2.409 . 3.134 2.357 2.357 2.357 . 0 0 "[ ]" 1
146 1 45 ILE H 1 45 ILE HA 2.727 . 3.656 2.917 2.917 2.917 . 0 0 "[ ]" 1
147 1 45 ILE HA 1 47 GLU H 2.559 . 3.378 3.415 3.415 3.415 0.037 1 0 "[ ]" 1
148 1 74 ILE HA 1 109 LYS QD 2.582 . 3.415 3.237 3.237 3.237 . 0 0 "[ ]" 1
149 1 11 ALA H 1 11 ALA HA 2.418 . 3.149 2.786 2.786 2.786 . 0 0 "[ ]" 1
150 1 50 GLY H 1 50 GLY HA2 2.435 . 3.176 2.339 2.339 2.339 . 0 0 "[ ]" 1
151 1 50 GLY HA2 1 51 PHE H 2.941 . 4.022 3.345 3.345 3.345 . 0 0 "[ ]" 1
152 1 18 GLU HA 1 21 HIS H 2.909 . 3.967 3.389 3.389 3.389 . 0 0 "[ ]" 1
153 1 15 ALA HA 1 16 LEU H 2.980 . 4.090 3.552 3.552 3.552 . 0 0 "[ ]" 1
154 1 18 GLU HA 1 19 ASN H 2.828 . 3.828 3.521 3.521 3.521 . 0 0 "[ ]" 1
155 1 15 ALA H 1 15 ALA HA 2.486 . 3.258 2.845 2.845 2.845 . 0 0 "[ ]" 1
156 1 72 VAL H 1 72 VAL HA 2.794 . 3.770 2.949 2.949 2.949 . 0 0 "[ ]" 1
157 1 7 ALA H 1 7 ALA HA 2.559 . 3.378 2.849 2.849 2.849 . 0 0 "[ ]" 1
158 1 44 PRO HA 1 45 ILE H 2.889 . 3.932 3.255 3.255 3.255 . 0 0 "[ ]" 1
159 1 18 GLU QB 1 45 ILE QG 2.548 . 3.359 3.066 3.066 3.066 . 0 0 "[ ]" 1
160 1 78 LYS H 1 78 LYS HA 2.396 . 3.113 2.789 2.789 2.789 . 0 0 "[ ]" 1
161 1 3 GLU HA 1 3 GLU QB 1.996 . 2.494 2.434 2.434 2.434 . 0 0 "[ ]" 1
162 1 3 GLU QB 1 3 GLU QG 1.793 . 2.195 2.004 2.004 2.004 . 0 0 "[ ]" 1
163 1 117 LEU H 1 117 LEU HA 2.839 . 3.846 2.940 2.940 2.940 . 0 0 "[ ]" 1
164 1 93 ILE MG 1 116 LYS QD 2.255 . 2.891 2.910 2.910 2.910 0.019 1 0 "[ ]" 1
165 1 29 GLN HA 1 30 ASN H 3.063 . 4.236 3.539 3.539 3.539 . 0 0 "[ ]" 1
166 1 40 TRP HZ3 1 66 LYS QD 2.609 . 3.460 13.841 13.841 13.841 10.381 1 1 [+] 1
167 1 93 ILE H 1 117 LEU HA 3.022 . 4.164 3.825 3.825 3.825 . 0 0 "[ ]" 1
168 1 14 ALA HA 1 17 LEU H 2.830 . 3.831 3.090 3.090 3.090 . 0 0 "[ ]" 1
169 1 9 ILE HB 1 9 ILE QG 2.266 . 2.908 2.403 2.403 2.403 . 0 0 "[ ]" 1
170 1 14 ALA HA 1 15 ALA H 2.940 . 4.020 3.533 3.533 3.533 . 0 0 "[ ]" 1
171 1 104 GLY H 1 104 GLY QA 2.629 . 3.493 2.195 2.195 2.195 . 0 0 "[ ]" 1
172 1 95 LYS QB 1 95 LYS QD 2.164 . 2.750 2.372 2.372 2.372 . 0 0 "[ ]" 1
173 1 104 GLY QA 1 105 LEU H 2.843 . 3.853 2.720 2.720 2.720 . 0 0 "[ ]" 1
174 1 49 GLU H 1 49 GLU HA 2.186 . 2.783 2.265 2.265 2.265 . 0 0 "[ ]" 1
175 1 117 LEU MD1 1 119 LYS QD 2.613 . 3.466 2.291 2.291 2.291 . 0 0 "[ ]" 1
176 1 43 LEU H 1 43 LEU HA 2.825 . 3.823 2.874 2.874 2.874 . 0 0 "[ ]" 1
177 1 100 SER H 1 100 SER QB 2.863 . 3.558 2.649 2.649 2.649 . 0 0 "[ ]" 1
178 1 89 LEU H 1 89 LEU HA 2.336 . 3.018 2.255 2.255 2.255 . 0 0 "[ ]" 1
179 1 23 MET H 1 23 MET HA 2.986 . 4.100 2.829 2.829 2.829 . 0 0 "[ ]" 1
180 1 89 LEU HA 1 90 VAL H 2.764 . 3.719 2.905 2.905 2.905 . 0 0 "[ ]" 1
181 1 102 SER HB3 1 103 ASP H 3.102 . 4.305 4.345 4.345 4.345 0.040 1 0 "[ ]" 1
182 1 88 ASN H 1 89 LEU HA 2.887 . 3.929 4.747 4.747 4.747 0.818 1 1 [+] 1
183 1 100 SER QB 1 101 CYS H 2.926 . 3.996 2.441 2.441 2.441 . 0 0 "[ ]" 1
184 1 21 HIS HA 1 21 HIS HB3 2.599 . 3.443 2.565 2.565 2.565 . 0 0 "[ ]" 1
185 1 16 LEU H 1 16 LEU HA 2.721 . 3.647 2.834 2.834 2.834 . 0 0 "[ ]" 1
186 1 76 LYS H 1 76 LYS HA 2.595 . 3.437 2.850 2.850 2.850 . 0 0 "[ ]" 1
187 1 76 LYS HA 1 77 ASP H 2.849 . 3.863 3.331 3.331 3.331 . 0 0 "[ ]" 1
188 1 119 LYS H 1 119 LYS HA 2.532 . 3.334 2.938 2.938 2.938 . 0 0 "[ ]" 1
189 1 76 LYS HA 1 79 ASN H 2.624 . 3.485 3.592 3.592 3.592 0.107 1 0 "[ ]" 1
190 1 52 CYS H 1 52 CYS HB2 3.038 . 4.192 3.707 3.707 3.707 . 0 0 "[ ]" 1
191 1 42 SER QB 1 43 LEU H 2.637 . 3.506 3.164 3.164 3.164 . 0 0 "[ ]" 1
192 1 6 LYS HA 1 9 ILE H 2.900 . 3.951 3.705 3.705 3.705 . 0 0 "[ ]" 1
193 1 83 ILE HB 1 83 ILE QG 2.092 . 2.639 2.426 2.426 2.426 . 0 0 "[ ]" 1
194 1 52 CYS HB2 1 53 ILE H 2.627 . 3.490 3.066 3.066 3.066 . 0 0 "[ ]" 1
195 1 6 LYS H 1 6 LYS HA 2.656 . 3.538 2.837 2.837 2.837 . 0 0 "[ ]" 1
196 1 13 ARG H 1 13 ARG HA 2.632 . 3.498 2.825 2.825 2.825 . 0 0 "[ ]" 1
197 1 49 GLU QB 1 49 GLU QG 2.215 . 2.586 1.976 1.976 1.976 . 0 0 "[ ]" 1
198 1 13 ARG HA 1 16 LEU H 2.984 . 4.097 2.733 2.733 2.733 . 0 0 "[ ]" 1
199 1 90 VAL H 1 90 VAL HA 2.774 . 3.736 2.940 2.940 2.940 . 0 0 "[ ]" 1
200 1 28 LEU HA 1 28 LEU HG 2.288 . 2.942 3.031 3.031 3.031 0.089 1 0 "[ ]" 1
201 1 28 LEU QD 1 28 LEU HG 1.814 . 2.226 1.893 1.893 1.893 . 0 0 "[ ]" 1
202 1 21 HIS H 1 21 HIS HB2 2.228 . 2.849 2.334 2.334 2.334 . 0 0 "[ ]" 1
203 1 17 LEU HA 1 17 LEU HG 2.600 . 3.445 3.587 3.587 3.587 0.142 1 0 "[ ]" 1
204 1 51 PHE HB3 1 52 CYS H 2.559 . 3.377 2.430 2.430 2.430 . 0 0 "[ ]" 1
205 1 53 ILE QG 1 53 ILE MG 2.097 . 2.647 2.079 2.079 2.079 . 0 0 "[ ]" 1
206 1 73 ALA HA 1 74 ILE H 2.284 . 2.936 2.156 2.156 2.156 . 0 0 "[ ]" 1
207 1 22 PHE H 1 22 PHE HB2 2.325 . 3.001 2.318 2.318 2.318 . 0 0 "[ ]" 1
208 1 79 ASN H 1 80 PRO HD3 2.894 . 3.941 3.957 3.957 3.957 0.016 1 0 "[ ]" 1
209 1 101 CYS H 1 101 CYS QB 2.748 . 3.692 2.379 2.379 2.379 . 0 0 "[ ]" 1
210 1 12 VAL HA 1 13 ARG H 2.834 . 3.838 3.478 3.478 3.478 . 0 0 "[ ]" 1
211 1 51 PHE HB3 1 72 VAL H 3.006 . 4.135 3.353 3.353 3.353 . 0 0 "[ ]" 1
212 1 16 LEU HG 1 71 ALA MB 2.533 . 3.335 2.815 2.815 2.815 . 0 0 "[ ]" 1
213 1 94 CYS H 1 94 CYS HB2 2.934 . 4.010 2.627 2.627 2.627 . 0 0 "[ ]" 1
214 1 12 VAL HA 1 15 ALA H 3.076 . 4.258 2.895 2.895 2.895 . 0 0 "[ ]" 1
215 1 89 LEU HB3 1 89 LEU HG 2.210 . 2.820 2.328 2.328 2.328 . 0 0 "[ ]" 1
216 1 117 LEU HA 1 117 LEU HG 2.529 . 3.328 3.756 3.756 3.756 0.428 1 0 "[ ]" 1
217 1 27 TYR QB 1 28 LEU H 3.070 . 4.248 2.601 2.601 2.601 . 0 0 "[ ]" 1
218 1 9 ILE H 1 9 ILE HA 2.524 . 3.320 2.778 2.778 2.778 . 0 0 "[ ]" 1
219 1 4 PHE HB3 1 5 GLU H 2.539 . 3.345 2.579 2.579 2.579 . 0 0 "[ ]" 1
220 1 45 ILE HA 1 45 ILE QG 2.577 . 3.407 2.696 2.696 2.696 . 0 0 "[ ]" 1
221 1 99 SER QB 1 100 SER H 3.015 . 4.151 2.690 2.690 2.690 . 0 0 "[ ]" 1
222 1 40 TRP H 1 40 TRP QB 2.823 . 3.819 2.890 2.890 2.890 . 0 0 "[ ]" 1
223 1 43 LEU H 1 46 LYS QE 3.022 . 4.164 6.617 6.617 6.617 2.453 1 1 [+] 1
224 1 95 LYS H 1 95 LYS QE 2.631 . 3.496 3.962 3.962 3.962 0.466 1 0 "[ ]" 1
225 1 6 LYS QB 1 6 LYS HG2 2.040 . 2.560 2.325 2.325 2.325 . 0 0 "[ ]" 1
226 1 81 PHE H 1 81 PHE QB 2.813 . 3.802 3.014 3.014 3.014 . 0 0 "[ ]" 1
227 1 88 ASN HB3 1 90 VAL H 3.069 . 4.247 3.021 3.021 3.021 . 0 0 "[ ]" 1
228 1 88 ASN H 1 88 ASN HB3 2.681 . 3.580 2.703 2.703 2.703 . 0 0 "[ ]" 1
229 1 19 ASN HB2 1 20 ALA H 2.949 . 4.036 3.080 3.080 3.080 . 0 0 "[ ]" 1
230 1 16 LEU MD1 1 19 ASN HB2 2.474 . 3.239 2.442 2.442 2.442 . 0 0 "[ ]" 1
231 1 16 LEU MD1 1 85 MET QG 2.077 . 2.616 2.106 2.106 2.106 . 0 0 "[ ]" 1
232 1 16 LEU HA 1 16 LEU MD1 2.382 . 3.091 1.975 1.975 1.975 . 0 0 "[ ]" 1
233 1 94 CYS H 1 94 CYS HB3 3.016 . 4.153 3.771 3.771 3.771 . 0 0 "[ ]" 1
234 1 94 CYS HB3 1 95 LYS H 3.072 . 4.251 2.845 2.845 2.845 . 0 0 "[ ]" 1
235 1 16 LEU MD1 1 85 MET QB 1.833 . 2.253 1.873 1.873 1.873 . 0 0 "[ ]" 1
236 1 10 ASN HB3 1 11 ALA H 2.686 . 3.588 2.596 2.596 2.596 . 0 0 "[ ]" 1
237 1 92 PHE H 1 92 PHE HB2 3.022 . 4.163 2.605 2.605 2.605 . 0 0 "[ ]" 1
238 1 25 LYS HA 1 25 LYS HG3 2.484 . 3.255 3.077 3.077 3.077 . 0 0 "[ ]" 1
239 1 112 ASP QB 1 113 LYS H 2.776 . 3.739 2.747 2.747 2.747 . 0 0 "[ ]" 1
240 1 106 ASP H 1 106 ASP HB3 2.796 . 3.774 2.774 2.774 2.774 . 0 0 "[ ]" 1
241 1 10 ASN HB2 1 11 ALA H 2.816 . 3.807 3.834 3.834 3.834 0.027 1 0 "[ ]" 1
242 1 106 ASP HB3 1 107 TYR H 3.095 . 4.292 2.601 2.601 2.601 . 0 0 "[ ]" 1
243 1 24 GLU H 1 24 GLU QG 2.640 . 3.511 3.992 3.992 3.992 0.481 1 0 "[ ]" 1
244 1 28 LEU HB3 1 28 LEU QD 1.762 . 2.150 2.117 2.117 2.117 . 0 0 "[ ]" 1
245 1 103 ASP H 1 103 ASP HB3 2.527 . 3.325 2.519 2.519 2.519 . 0 0 "[ ]" 1
246 1 77 ASP QB 1 78 LYS H 2.490 . 3.265 3.148 3.148 3.148 . 0 0 "[ ]" 1
247 1 92 PHE H 1 92 PHE HB3 2.841 . 3.850 3.739 3.739 3.739 . 0 0 "[ ]" 1
248 1 92 PHE HB3 1 93 ILE H 2.587 . 3.424 3.536 3.536 3.536 0.112 1 0 "[ ]" 1
249 1 92 PHE QE 1 117 LEU MD1 2.520 . 3.314 3.349 3.349 3.349 0.035 1 0 "[ ]" 1
250 1 117 LEU MD1 1 117 LEU HG 1.871 . 2.309 2.116 2.116 2.116 . 0 0 "[ ]" 1
251 1 88 ASN HB2 1 90 VAL H 3.076 . 4.259 4.348 4.348 4.348 0.089 1 0 "[ ]" 1
252 1 51 PHE HB2 1 52 CYS H 2.921 . 3.987 3.744 3.744 3.744 . 0 0 "[ ]" 1
253 1 51 PHE H 1 51 PHE HB2 2.735 . 3.670 2.416 2.416 2.416 . 0 0 "[ ]" 1
254 1 78 LYS HA 1 78 LYS QG 2.417 . 3.147 2.292 2.292 2.292 . 0 0 "[ ]" 1
255 1 88 ASN H 1 88 ASN HB2 2.505 . 3.290 2.430 2.430 2.430 . 0 0 "[ ]" 1
256 1 24 GLU H 1 24 GLU HB2 2.471 . 3.234 2.517 2.517 2.517 . 0 0 "[ ]" 1
257 1 67 PHE H 1 87 GLU QG 2.997 . 4.120 1.986 1.986 1.986 . 0 0 "[ ]" 1
258 1 89 LEU HB3 1 89 LEU QD 1.943 . 2.415 2.407 2.407 2.407 . 0 0 "[ ]" 1
259 1 30 ASN H 1 30 ASN QB 2.841 . 3.850 2.246 2.246 2.246 . 0 0 "[ ]" 1
260 1 49 GLU H 1 49 GLU QB 2.976 . 3.918 3.374 3.374 3.374 . 0 0 "[ ]" 1
261 1 92 PHE QD 1 117 LEU MD2 2.481 . 3.251 2.120 2.120 2.120 . 0 0 "[ ]" 1
262 1 19 ASN H 1 19 ASN HB3 2.684 . 3.584 3.613 3.613 3.613 0.029 1 0 "[ ]" 1
263 1 46 LYS QE 1 46 LYS HG3 2.178 . 2.771 2.438 2.438 2.438 . 0 0 "[ ]" 1
264 1 79 ASN H 1 79 ASN HB2 2.495 . 3.273 2.889 2.889 2.889 . 0 0 "[ ]" 1
265 1 117 LEU HA 1 117 LEU MD1 2.383 . 3.093 2.716 2.716 2.716 . 0 0 "[ ]" 1
266 1 117 LEU MD1 1 119 LYS QE 2.505 . 3.290 2.076 2.076 2.076 . 0 0 "[ ]" 1
267 1 18 GLU H 1 18 GLU QB 2.360 . 3.056 2.191 2.191 2.191 . 0 0 "[ ]" 1
268 1 80 PRO QB 1 81 PHE H 2.913 . 3.974 3.523 3.523 3.523 . 0 0 "[ ]" 1
269 1 49 GLU H 1 49 GLU QG 2.754 . 3.702 3.017 3.017 3.017 . 0 0 "[ ]" 1
270 1 47 GLU HG2 1 48 ALA H 2.621 . 3.479 2.468 2.468 2.468 . 0 0 "[ ]" 1
271 1 95 LYS H 1 95 LYS QB 2.767 . 3.724 2.329 2.329 2.329 . 0 0 "[ ]" 1
272 1 20 ALA MB 1 89 LEU QD 1.681 . 2.034 1.933 1.933 1.933 . 0 0 "[ ]" 1
273 1 85 MET QG 1 86 ASN H 2.739 . 3.677 3.548 3.548 3.548 . 0 0 "[ ]" 1
274 1 16 LEU HA 1 16 LEU MD2 2.057 . 2.586 2.517 2.517 2.517 . 0 0 "[ ]" 1
275 1 47 GLU HG3 1 105 LEU MD1 2.127 . 2.693 2.296 2.296 2.296 . 0 0 "[ ]" 1
276 1 46 LYS H 1 46 LYS QB 2.717 . 3.639 2.516 2.516 2.516 . 0 0 "[ ]" 1
277 1 16 LEU MD2 1 71 ALA MB 1.961 . 2.442 1.676 1.676 1.676 . 0 0 "[ ]" 1
278 1 13 ARG HA 1 16 LEU MD2 2.598 . 3.442 2.623 2.623 2.623 . 0 0 "[ ]" 1
279 1 55 LEU QB 1 55 LEU QD 2.208 . 2.817 1.962 1.962 1.962 . 0 0 "[ ]" 1
280 1 44 PRO HG2 1 45 ILE H 2.643 . 3.516 3.570 3.570 3.570 0.054 1 0 "[ ]" 1
281 1 53 ILE HB 1 55 LEU QD 2.610 . 3.461 5.775 5.775 5.775 2.314 1 1 [+] 1
282 1 45 ILE QG 1 55 LEU QD 2.409 . 3.134 5.901 5.901 5.901 2.767 1 1 [+] 1
283 1 53 ILE MG 1 55 LEU QD 1.925 . 2.388 3.394 3.394 3.394 1.006 1 1 [+] 1
284 1 8 LYS HA 1 8 LYS QG 2.622 . 3.448 2.850 2.850 2.850 . 0 0 "[ ]" 1
285 1 8 LYS QE 1 8 LYS QG 2.375 . 3.080 2.246 2.246 2.246 . 0 0 "[ ]" 1
286 1 23 MET ME 1 89 LEU H 3.087 . 4.278 3.382 3.382 3.382 . 0 0 "[ ]" 1
287 1 6 LYS H 1 6 LYS QB 2.183 . 2.778 2.657 2.657 2.657 . 0 0 "[ ]" 1
288 1 82 ILE HB 1 83 ILE H 2.792 . 3.767 2.698 2.698 2.698 . 0 0 "[ ]" 1
289 1 12 VAL MG2 1 16 LEU MD2 2.615 . 3.470 1.825 1.825 1.825 . 0 0 "[ ]" 1
290 1 29 GLN QB 1 30 ASN H 2.662 . 3.548 2.465 2.465 2.465 . 0 0 "[ ]" 1
291 1 6 LYS QB 1 7 ALA H 2.445 . 3.192 2.726 2.726 2.726 . 0 0 "[ ]" 1
292 1 25 LYS H 1 25 LYS QB 2.498 . 3.278 2.125 2.125 2.125 . 0 0 "[ ]" 1
293 1 66 LYS H 1 66 LYS HB3 2.877 . 3.912 3.666 3.666 3.666 . 0 0 "[ ]" 1
294 1 89 LEU HA 1 89 LEU QD 1.925 . 2.388 1.859 1.859 1.859 . 0 0 "[ ]" 1
295 1 17 LEU H 1 17 LEU HB2 2.291 . 2.947 2.056 2.056 2.056 . 0 0 "[ ]" 1
296 1 116 LYS QB 1 117 LEU H 2.729 . 3.660 3.475 3.475 3.475 . 0 0 "[ ]" 1
297 1 22 PHE QD 1 43 LEU QD 2.331 . 3.010 2.724 2.724 2.724 . 0 0 "[ ]" 1
298 1 43 LEU HA 1 43 LEU QD 2.165 . 2.751 1.948 1.948 1.948 . 0 0 "[ ]" 1
299 1 22 PHE HB2 1 43 LEU QD 2.453 . 3.205 2.130 2.130 2.130 . 0 0 "[ ]" 1
300 1 19 ASN HB2 1 43 LEU QD 2.613 . 3.467 3.590 3.590 3.590 0.123 1 0 "[ ]" 1
301 1 43 LEU QB 1 43 LEU QD 2.032 . 2.548 1.948 1.948 1.948 . 0 0 "[ ]" 1
302 1 43 LEU QD 1 45 ILE QG 2.265 . 2.907 2.822 2.822 2.822 . 0 0 "[ ]" 1
303 1 43 LEU QD 1 45 ILE MD 2.128 . 2.694 3.079 3.079 3.079 0.385 1 0 "[ ]" 1
304 1 90 VAL H 1 90 VAL HB 2.428 . 3.165 3.110 3.110 3.110 . 0 0 "[ ]" 1
305 1 90 VAL QG 1 92 PHE QE 2.435 . 3.176 2.051 2.051 2.051 . 0 0 "[ ]" 1
306 1 90 VAL QG 1 117 LEU HG 2.402 . 3.123 4.077 4.077 4.077 0.954 1 1 [+] 1
307 1 54 ARG H 1 54 ARG QB 2.970 . 4.073 2.657 2.657 2.657 . 0 0 "[ ]" 1
308 1 9 ILE HA 1 12 VAL MG1 2.442 . 3.187 3.107 3.107 3.107 . 0 0 "[ ]" 1
309 1 12 VAL HB 1 12 VAL MG1 1.951 . 2.427 2.117 2.117 2.117 . 0 0 "[ ]" 1
310 1 66 LYS H 1 66 LYS HB2 2.529 . 3.328 2.479 2.479 2.479 . 0 0 "[ ]" 1
311 1 12 VAL MG1 1 83 ILE MD 2.169 . 2.757 2.122 2.122 2.122 . 0 0 "[ ]" 1
312 1 12 VAL MG1 1 51 PHE QD 2.347 . 3.036 2.532 2.532 2.532 . 0 0 "[ ]" 1
313 1 12 VAL MG1 1 49 GLU QB 2.312 . 2.536 2.030 2.030 2.030 . 0 0 "[ ]" 1
314 1 43 LEU H 1 43 LEU QB 2.371 . 3.074 2.331 2.331 2.331 . 0 0 "[ ]" 1
315 1 11 ALA MB 1 12 VAL MG1 2.099 . 2.650 2.644 2.644 2.644 . 0 0 "[ ]" 1
316 1 76 LYS H 1 109 LYS QB 2.314 . 2.983 2.637 2.637 2.637 . 0 0 "[ ]" 1
317 1 72 VAL QG 1 99 SER QB 2.472 . 3.236 1.886 1.886 1.886 . 0 0 "[ ]" 1
318 1 72 VAL HA 1 72 VAL QG 2.237 . 2.679 2.138 2.138 2.138 . 0 0 "[ ]" 1
319 1 72 VAL QG 1 84 LYS QE 2.495 . 3.273 2.561 2.561 2.561 . 0 0 "[ ]" 1
320 1 72 VAL HB 1 72 VAL QG 2.095 . 2.361 1.894 1.894 1.894 . 0 0 "[ ]" 1
321 1 72 VAL QG 1 84 LYS QD 2.437 . 3.179 2.865 2.865 2.865 . 0 0 "[ ]" 1
322 1 78 LYS HB3 1 79 ASN H 2.507 . 3.293 3.139 3.139 3.139 . 0 0 "[ ]" 1
323 1 78 LYS H 1 78 LYS HB3 2.209 . 2.819 2.919 2.919 2.919 0.100 1 0 "[ ]" 1
324 1 6 LYS H 1 6 LYS HG2 2.620 . 3.478 1.882 1.882 1.882 . 0 0 "[ ]" 1
325 1 74 ILE H 1 74 ILE HB 2.287 . 2.941 2.299 2.299 2.299 . 0 0 "[ ]" 1
326 1 90 VAL HB 1 90 VAL QG 1.891 . 2.208 1.893 1.893 1.893 . 0 0 "[ ]" 1
327 1 90 VAL QG 1 117 LEU MD1 2.041 . 2.562 2.226 2.226 2.226 . 0 0 "[ ]" 1
328 1 93 ILE QG 1 118 PHE H 2.902 . 3.955 3.561 3.561 3.561 . 0 0 "[ ]" 1
329 1 89 LEU H 1 89 LEU HB2 2.991 . 4.109 3.090 3.090 3.090 . 0 0 "[ ]" 1
330 1 38 THR MG 1 62 ALA MB 2.255 . 2.891 9.443 9.443 9.443 6.552 1 1 [+] 1
331 1 7 ALA H 1 7 ALA MB 2.113 . 2.671 2.246 2.246 2.246 . 0 0 "[ ]" 1
332 1 11 ALA H 1 11 ALA MB 2.015 . 2.523 2.208 2.208 2.208 . 0 0 "[ ]" 1
333 1 88 ASN HB2 1 90 VAL QG 2.109 . 2.665 2.813 2.813 2.813 0.148 1 0 "[ ]" 1
334 1 90 VAL MG1 1 90 VAL MG2 1.658 . 2.002 2.061 2.061 2.061 0.059 1 0 "[ ]" 1
335 1 88 ASN HB3 1 90 VAL QG 2.097 . 2.647 1.772 1.772 1.772 . 0 0 "[ ]" 1
336 1 40 TRP HH2 1 62 ALA MB 2.323 . 2.998 8.570 8.570 8.570 5.572 1 1 [+] 1
337 1 40 TRP HZ2 1 62 ALA MB 2.238 . 2.864 9.959 9.959 9.959 7.095 1 1 [+] 1
338 1 59 ALA HA 1 62 ALA MB 2.275 . 2.922 8.189 8.189 8.189 5.267 1 1 [+] 1
339 1 9 ILE HB 1 10 ASN H 2.321 . 2.994 2.483 2.483 2.483 . 0 0 "[ ]" 1
340 1 59 ALA MB 1 62 ALA MB 2.569 . 3.394 5.316 5.316 5.316 1.922 1 1 [+] 1
341 1 91 THR MG 1 118 PHE QD 2.335 . 3.016 3.038 3.038 3.038 0.022 1 0 "[ ]" 1
342 1 9 ILE H 1 9 ILE HB 2.098 . 2.648 2.433 2.433 2.433 . 0 0 "[ ]" 1
343 1 91 THR HB 1 91 THR MG 2.019 . 2.529 2.119 2.119 2.119 . 0 0 "[ ]" 1
344 1 91 THR MG 1 118 PHE QB 2.179 . 2.772 2.721 2.721 2.721 . 0 0 "[ ]" 1
345 1 91 THR HA 1 91 THR MG 2.183 . 2.779 2.323 2.323 2.323 . 0 0 "[ ]" 1
346 1 13 ARG QD 1 91 THR MG 2.609 . 3.460 2.361 2.361 2.361 . 0 0 "[ ]" 1
347 1 83 ILE MG 1 91 THR MG 1.884 . 2.328 1.904 1.904 1.904 . 0 0 "[ ]" 1
348 1 91 THR MG 1 93 ILE MD 2.283 . 2.934 1.841 1.841 1.841 . 0 0 "[ ]" 1
349 1 9 ILE MG 1 91 THR MG 2.463 . 3.221 2.980 2.980 2.980 . 0 0 "[ ]" 1
350 1 72 VAL HA 1 82 ILE MG 2.407 . 3.131 2.201 2.201 2.201 . 0 0 "[ ]" 1
351 1 82 ILE HG12 1 82 ILE MG 2.174 . 2.765 2.311 2.311 2.311 . 0 0 "[ ]" 1
352 1 72 VAL QG 1 82 ILE MG 2.174 . 2.765 2.109 2.109 2.109 . 0 0 "[ ]" 1
353 1 72 VAL QG 1 109 LYS QE 2.143 . 2.717 2.704 2.704 2.704 . 0 0 "[ ]" 1
354 1 72 VAL MG1 1 72 VAL MG2 1.905 . 2.359 2.083 2.083 2.083 . 0 0 "[ ]" 1
355 1 12 VAL MG2 1 51 PHE QD 2.620 . 3.478 3.012 3.012 3.012 . 0 0 "[ ]" 1
356 1 15 ALA MB 1 16 LEU H 2.570 . 3.395 2.517 2.517 2.517 . 0 0 "[ ]" 1
357 1 12 VAL HB 1 12 VAL MG2 1.938 . 2.407 2.124 2.124 2.124 . 0 0 "[ ]" 1
358 1 45 ILE H 1 45 ILE QG 2.587 . 3.424 2.042 2.042 2.042 . 0 0 "[ ]" 1
359 1 12 VAL MG2 1 71 ALA MB 1.893 . 2.341 2.146 2.146 2.146 . 0 0 "[ ]" 1
360 1 12 VAL MG2 1 83 ILE QG 2.526 . 3.323 3.405 3.405 3.405 0.082 1 0 "[ ]" 1
361 1 12 VAL MG2 1 83 ILE MG 1.949 . 2.424 2.476 2.476 2.476 0.052 1 0 "[ ]" 1
362 1 12 VAL MG2 1 83 ILE MD 2.007 . 2.511 1.715 1.715 1.715 . 0 0 "[ ]" 1
363 1 51 PHE QE 1 73 ALA MB 2.473 . 3.238 2.842 2.842 2.842 . 0 0 "[ ]" 1
364 1 51 PHE QD 1 73 ALA MB 2.538 . 3.343 3.478 3.478 3.478 0.135 1 0 "[ ]" 1
365 1 71 ALA H 1 84 LYS QD 2.507 . 3.293 1.842 1.842 1.842 . 0 0 "[ ]" 1
366 1 73 ALA MB 1 76 LYS HA 2.034 . 2.551 2.645 2.645 2.645 0.094 1 0 "[ ]" 1
367 1 73 ALA HA 1 73 ALA MB 1.966 . 2.449 2.132 2.132 2.132 . 0 0 "[ ]" 1
368 1 73 ALA MB 1 79 ASN HB2 1.970 . 2.455 1.806 1.806 1.806 . 0 0 "[ ]" 1
369 1 73 ALA MB 1 79 ASN HB3 2.059 . 2.589 2.659 2.659 2.659 0.070 1 0 "[ ]" 1
370 1 93 ILE H 1 93 ILE QG 3.030 . 4.178 1.888 1.888 1.888 . 0 0 "[ ]" 1
371 1 82 ILE HG12 1 94 CYS H 2.938 . 4.017 2.986 2.986 2.986 . 0 0 "[ ]" 1
372 1 74 ILE QG 1 106 ASP H 2.669 . 3.560 3.203 3.203 3.203 . 0 0 "[ ]" 1
373 1 76 LYS QD 1 98 ALA MB 2.484 . 3.255 7.814 7.814 7.814 4.559 1 1 [+] 1
374 1 12 VAL HA 1 15 ALA MB 2.214 . 2.826 2.744 2.744 2.744 . 0 0 "[ ]" 1
375 1 14 ALA MB 1 15 ALA MB 2.605 . 3.453 3.631 3.631 3.631 0.178 1 0 "[ ]" 1
376 1 74 ILE H 1 74 ILE QG 2.736 . 3.672 3.354 3.354 3.354 . 0 0 "[ ]" 1
377 1 12 VAL MG2 1 15 ALA MB 2.483 . 3.254 3.142 3.142 3.142 . 0 0 "[ ]" 1
378 1 91 THR MG 1 92 PHE H 2.539 . 3.345 2.524 2.524 2.524 . 0 0 "[ ]" 1
379 1 84 LYS H 1 91 THR MG 3.009 . 4.141 2.798 2.798 2.798 . 0 0 "[ ]" 1
380 1 15 ALA MB 1 49 GLU QG 2.405 . 3.128 3.189 3.189 3.189 0.061 1 0 "[ ]" 1
381 1 15 ALA MB 1 45 ILE HB 2.433 . 3.173 4.028 4.028 4.028 0.855 1 1 [+] 1
382 1 45 ILE MG 1 53 ILE MD 2.183 . 2.778 2.112 2.112 2.112 . 0 0 "[ ]" 1
383 1 83 ILE HA 1 83 ILE MG 2.105 . 2.659 2.475 2.475 2.475 . 0 0 "[ ]" 1
384 1 19 ASN H 1 45 ILE MD 2.933 . 4.008 3.687 3.687 3.687 . 0 0 "[ ]" 1
385 1 16 LEU HG 1 83 ILE MG 2.253 . 2.887 2.234 2.234 2.234 . 0 0 "[ ]" 1
386 1 71 ALA MB 1 83 ILE MG 2.050 . 2.575 2.709 2.709 2.709 0.134 1 0 "[ ]" 1
387 1 89 LEU H 1 89 LEU QD 2.428 . 3.165 3.093 3.093 3.093 . 0 0 "[ ]" 1
388 1 17 LEU QD 1 21 HIS H 2.914 . 3.976 4.037 4.037 4.037 0.061 1 0 "[ ]" 1
389 1 83 ILE H 1 83 ILE QG 2.632 . 3.498 2.642 2.642 2.642 . 0 0 "[ ]" 1
390 1 90 VAL QG 1 91 THR H 2.870 . 3.900 2.245 2.245 2.245 . 0 0 "[ ]" 1
391 1 23 MET ME 1 23 MET QG 2.413 . 3.141 2.196 2.196 2.196 . 0 0 "[ ]" 1
392 1 23 MET ME 1 85 MET ME 2.044 . 2.566 2.782 2.782 2.782 0.216 1 0 "[ ]" 1
393 1 23 MET ME 1 85 MET QB 1.971 . 2.457 2.531 2.531 2.531 0.074 1 0 "[ ]" 1
394 1 23 MET QB 1 23 MET ME 1.947 . 2.421 2.601 2.601 2.601 0.180 1 0 "[ ]" 1
395 1 23 MET ME 1 89 LEU QD 1.834 . 2.255 2.325 2.325 2.325 0.070 1 0 "[ ]" 1
396 1 93 ILE H 1 93 ILE MG 2.740 . 3.679 3.811 3.811 3.811 0.132 1 0 "[ ]" 1
397 1 52 CYS H 1 74 ILE MD 2.770 . 3.729 2.893 2.893 2.893 . 0 0 "[ ]" 1
398 1 11 ALA MB 1 49 GLU QB 2.286 . 2.939 2.659 2.659 2.659 . 0 0 "[ ]" 1
399 1 74 ILE H 1 74 ILE MD 2.340 . 3.025 2.110 2.110 2.110 . 0 0 "[ ]" 1
400 1 73 ALA MB 1 75 ASP H 2.347 . 3.036 2.874 2.874 2.874 . 0 0 "[ ]" 1
401 1 73 ALA MB 1 76 LYS H 2.946 . 4.031 4.007 4.007 4.007 . 0 0 "[ ]" 1
402 1 73 ALA MB 1 79 ASN H 2.803 . 3.785 3.837 3.837 3.837 0.052 1 0 "[ ]" 1
403 1 16 LEU MD1 1 70 LYS H 2.710 . 3.628 3.743 3.743 3.743 0.115 1 0 "[ ]" 1
404 1 48 ALA H 1 74 ILE MD 3.033 . 4.183 4.148 4.148 4.148 . 0 0 "[ ]" 1
405 1 74 ILE QG 1 74 ILE MG 1.899 . 2.350 2.084 2.084 2.084 . 0 0 "[ ]" 1
406 1 83 ILE MG 1 84 LYS H 2.547 . 3.358 3.195 3.195 3.195 . 0 0 "[ ]" 1
407 1 13 ARG H 1 83 ILE MG 2.925 . 3.995 3.756 3.756 3.756 . 0 0 "[ ]" 1
408 1 53 ILE MG 1 54 ARG H 2.558 . 3.376 2.941 2.941 2.941 . 0 0 "[ ]" 1
409 1 83 ILE H 1 83 ILE MG 2.967 . 4.067 3.806 3.806 3.806 . 0 0 "[ ]" 1
410 1 43 LEU H 1 43 LEU QD 2.446 . 3.194 3.253 3.253 3.253 0.059 1 0 "[ ]" 1
411 1 23 MET H 1 43 LEU QD 2.932 . 4.007 4.189 4.189 4.189 0.182 1 0 "[ ]" 1
412 1 19 ASN H 1 43 LEU QD 2.901 . 3.953 3.107 3.107 3.107 . 0 0 "[ ]" 1
413 1 47 GLU H 1 53 ILE MD 3.012 . 4.146 4.134 4.134 4.134 . 0 0 "[ ]" 1
414 1 74 ILE HB 1 74 ILE MG 1.724 . 2.095 2.123 2.123 2.123 0.028 1 0 "[ ]" 1
415 1 81 PHE QD 1 93 ILE MG 2.270 . 2.914 2.960 2.960 2.960 0.046 1 0 "[ ]" 1
416 1 90 VAL H 1 90 VAL QG 2.783 . 3.751 1.832 1.832 1.832 . 0 0 "[ ]" 1
417 1 12 VAL MG2 1 16 LEU H 3.061 . 4.232 3.578 3.578 3.578 . 0 0 "[ ]" 1
418 1 12 VAL H 1 12 VAL MG1 2.217 . 2.832 1.759 1.759 1.759 . 0 0 "[ ]" 1
419 1 11 ALA H 1 12 VAL MG1 3.014 . 4.149 3.915 3.915 3.915 . 0 0 "[ ]" 1
420 1 9 ILE H 1 9 ILE MD 2.656 . 3.538 3.508 3.508 3.508 . 0 0 "[ ]" 1
421 1 72 VAL H 1 72 VAL QG 2.790 . 3.763 2.713 2.713 2.713 . 0 0 "[ ]" 1
422 1 72 VAL QG 1 73 ALA H 2.949 . 4.036 2.434 2.434 2.434 . 0 0 "[ ]" 1
423 1 9 ILE MG 1 10 ASN H 2.928 . 4.000 2.961 2.961 2.961 . 0 0 "[ ]" 1
424 1 40 TRP HZ3 1 68 MET ME 2.536 . 3.340 10.626 10.626 10.626 7.286 1 1 [+] 1
425 1 22 PHE QE 1 68 MET ME 2.428 . 3.165 2.101 2.101 2.101 . 0 0 "[ ]" 1
426 1 86 ASN H 1 86 ASN HB3 3.095 . 4.292 2.476 2.476 2.476 . 0 0 "[ ]" 1
427 1 11 ALA H 1 13 ARG H 3.138 . 4.369 3.758 3.758 3.758 . 0 0 "[ ]" 1
428 1 94 CYS HA 1 116 LYS H 2.788 . 3.760 3.219 3.219 3.219 . 0 0 "[ ]" 1
429 1 6 LYS HA 1 9 ILE MG 2.626 . 3.488 3.629 3.629 3.629 0.141 1 0 "[ ]" 1
430 1 9 ILE HA 1 9 ILE MG 2.208 . 2.818 2.554 2.554 2.554 . 0 0 "[ ]" 1
431 1 9 ILE HB 1 9 ILE MG 1.859 . 2.291 2.126 2.126 2.126 . 0 0 "[ ]" 1
432 1 9 ILE MG 1 93 ILE MG 2.407 . 3.131 3.449 3.449 3.449 0.318 1 0 "[ ]" 1
433 1 9 ILE MG 1 83 ILE MG 2.260 . 2.899 3.006 3.006 3.006 0.107 1 0 "[ ]" 1
434 1 11 ALA HA 1 14 ALA H 2.730 . 3.661 3.684 3.684 3.684 0.023 1 0 "[ ]" 1
435 1 9 ILE MD 1 9 ILE MG 1.949 . 2.424 2.017 2.017 2.017 . 0 0 "[ ]" 1
436 1 19 ASN HA 1 23 MET H 2.939 . 4.019 3.505 3.505 3.505 . 0 0 "[ ]" 1
437 1 82 ILE MD 1 113 LYS QE 2.445 . 3.192 7.526 7.526 7.526 4.334 1 1 [+] 1
438 1 24 GLU H 1 25 LYS H 2.751 . 3.697 2.598 2.598 2.598 . 0 0 "[ ]" 1
439 1 82 ILE MD 1 84 LYS QE 2.491 . 3.267 1.822 1.822 1.822 . 0 0 "[ ]" 1
440 1 82 ILE HB 1 82 ILE MD 2.292 . 2.949 2.417 2.417 2.417 . 0 0 "[ ]" 1
441 1 82 ILE MD 1 98 ALA MB 2.300 . 2.962 1.907 1.907 1.907 . 0 0 "[ ]" 1
442 1 82 ILE MD 1 82 ILE HG13 2.102 . 2.654 2.108 2.108 2.108 . 0 0 "[ ]" 1
443 1 82 ILE MD 1 82 ILE HG12 2.063 . 2.595 2.104 2.104 2.104 . 0 0 "[ ]" 1
444 1 82 ILE MD 1 82 ILE MG 2.116 . 2.676 2.020 2.020 2.020 . 0 0 "[ ]" 1
445 1 72 VAL QG 1 82 ILE MD . . 2.144 3.030 3.030 3.030 0.886 1 1 [+] 1
446 1 87 GLU H 1 88 ASN H 3.032 . 4.181 2.791 2.791 2.791 . 0 0 "[ ]" 1
447 1 81 PHE QE 1 83 ILE MD 2.426 . 3.162 2.478 2.478 2.478 . 0 0 "[ ]" 1
448 1 51 PHE QD 1 83 ILE MD 2.459 . 3.215 3.126 3.126 3.126 . 0 0 "[ ]" 1
449 1 9 ILE HA 1 83 ILE MD 2.135 . 2.705 1.844 1.844 1.844 . 0 0 "[ ]" 1
450 1 13 ARG QB 1 83 ILE MD 2.629 . 3.493 3.263 3.263 3.263 . 0 0 "[ ]" 1
451 1 10 ASN H 1 10 ASN HB3 2.599 . 3.443 2.605 2.605 2.605 . 0 0 "[ ]" 1
452 1 83 ILE HB 1 83 ILE MD 1.859 . 2.291 2.272 2.272 2.272 . 0 0 "[ ]" 1
453 1 71 ALA MB 1 83 ILE MD 2.262 . 2.902 3.021 3.021 3.021 0.119 1 0 "[ ]" 1
454 1 83 ILE MD 1 83 ILE QG 2.099 . 2.650 1.879 1.879 1.879 . 0 0 "[ ]" 1
455 1 83 ILE MD 1 83 ILE MG 1.929 . 2.394 2.171 2.171 2.171 . 0 0 "[ ]" 1
456 1 9 ILE MG 1 83 ILE MD 2.238 . 2.864 2.878 2.878 2.878 0.014 1 0 "[ ]" 1
457 1 47 GLU HA 1 53 ILE MD 2.322 . 2.996 3.120 3.120 3.120 0.124 1 0 "[ ]" 1
458 1 45 ILE HB 1 53 ILE MD 2.546 . 3.356 3.395 3.395 3.395 0.039 1 0 "[ ]" 1
459 1 15 ALA MB 1 53 ILE MD 1.907 . 2.362 2.382 2.382 2.382 0.020 1 0 "[ ]" 1
460 1 48 ALA MB 1 53 ILE MD 1.881 . 2.323 2.205 2.205 2.205 . 0 0 "[ ]" 1
461 1 95 LYS QB 1 96 LYS H 3.141 . 4.375 3.003 3.003 3.003 . 0 0 "[ ]" 1
462 1 12 VAL MG2 1 53 ILE MD 2.389 . 3.102 2.692 2.692 2.692 . 0 0 "[ ]" 1
463 1 59 ALA HA 1 59 ALA MB 2.361 . 3.058 2.133 2.133 2.133 . 0 0 "[ ]" 1
464 1 45 ILE MD 1 45 ILE QG 1.901 . 2.353 1.878 1.878 1.878 . 0 0 "[ ]" 1
465 1 74 ILE MD 1 101 CYS QB 2.596 . 3.438 2.774 2.774 2.774 . 0 0 "[ ]" 1
466 1 74 ILE HB 1 74 ILE MD 1.686 . 2.041 2.215 2.215 2.215 0.174 1 0 "[ ]" 1
467 1 52 CYS HB3 1 74 ILE MD 2.500 . 3.281 2.246 2.246 2.246 . 0 0 "[ ]" 1
468 1 47 GLU HG2 1 74 ILE MD 2.288 . 2.943 2.461 2.461 2.461 . 0 0 "[ ]" 1
469 1 74 ILE MD 1 74 ILE QG 2.033 . 2.550 1.878 1.878 1.878 . 0 0 "[ ]" 1
470 1 9 ILE MD 1 93 ILE MD 2.245 . 2.875 2.030 2.030 2.030 . 0 0 "[ ]" 1
471 1 6 LYS HA 1 9 ILE MD 2.205 . 2.813 2.519 2.519 2.519 . 0 0 "[ ]" 1
472 1 5 GLU HB3 1 9 ILE MD 2.408 . 3.133 2.607 2.607 2.607 . 0 0 "[ ]" 1
473 1 9 ILE HB 1 9 ILE MD 1.812 . 2.222 2.306 2.306 2.306 0.084 1 0 "[ ]" 1
474 1 9 ILE MD 1 93 ILE MG 2.022 . 2.533 1.963 1.963 1.963 . 0 0 "[ ]" 1
475 1 9 ILE MD 1 9 ILE QG 1.838 . 2.260 1.885 1.885 1.885 . 0 0 "[ ]" 1
476 1 15 ALA HA 1 45 ILE MD 2.122 . 2.685 2.632 2.632 2.632 . 0 0 "[ ]" 1
477 1 18 GLU QB 1 45 ILE MD 2.111 . 2.566 1.849 1.849 1.849 . 0 0 "[ ]" 1
478 1 45 ILE HB 1 45 ILE MD 2.071 . 2.607 2.470 2.470 2.470 . 0 0 "[ ]" 1
479 1 74 ILE HA 1 74 ILE MD 2.336 . 3.018 2.819 2.819 2.819 . 0 0 "[ ]" 1
480 1 93 ILE MD 1 118 PHE QD 2.337 . 3.020 2.999 2.999 2.999 . 0 0 "[ ]" 1
481 1 93 ILE MD 1 93 ILE QG 1.932 . 2.399 1.876 1.876 1.876 . 0 0 "[ ]" 1
482 1 93 ILE MD 1 93 ILE MG 1.989 . 2.484 1.892 1.892 1.892 . 0 0 "[ ]" 1
483 1 9 ILE MG 1 93 ILE MD 2.283 . 2.934 2.309 2.309 2.309 . 0 0 "[ ]" 1
484 1 93 ILE MD 1 118 PHE QB 2.618 . 3.475 2.113 2.113 2.113 . 0 0 "[ ]" 1
485 1 38 THR HA 1 38 THR HB 2.308 . 2.974 3.014 3.014 3.014 0.040 1 0 "[ ]" 1
486 1 38 THR HB 1 38 THR MG 1.997 . 2.496 2.128 2.128 2.128 . 0 0 "[ ]" 1
487 1 91 THR HB 1 118 PHE QD 2.456 . 3.210 1.837 1.837 1.837 . 0 0 "[ ]" 1
488 1 91 THR HA 1 91 THR HB 2.534 . 3.337 3.017 3.017 3.017 . 0 0 "[ ]" 1
489 1 91 THR HB 1 118 PHE QB 2.289 . 2.944 1.759 1.759 1.759 . 0 0 "[ ]" 1
490 1 12 VAL HA 1 12 VAL HB 2.441 . 3.186 2.207 2.207 2.207 . 0 0 "[ ]" 1
491 1 100 SER QB 1 109 LYS QE 2.629 . 3.493 3.218 3.218 3.218 . 0 0 "[ ]" 1
492 1 72 VAL QG 1 100 SER QB 2.502 . 3.284 4.214 4.214 4.214 0.930 1 1 [+] 1
493 1 74 ILE HA 1 74 ILE HB 2.221 . 2.837 2.979 2.979 2.979 0.142 1 0 "[ ]" 1
494 1 74 ILE HA 1 74 ILE QG 2.449 . 3.199 2.203 2.203 2.203 . 0 0 "[ ]" 1
495 1 74 ILE HA 1 74 ILE MG 2.060 . 2.590 2.639 2.639 2.639 0.049 1 0 "[ ]" 1
496 1 44 PRO HA 1 44 PRO QB 2.165 . 2.751 2.187 2.187 2.187 . 0 0 "[ ]" 1
497 1 80 PRO HA 1 80 PRO QB 2.205 . 2.813 2.175 2.175 2.175 . 0 0 "[ ]" 1
498 1 42 SER QB 1 46 LYS QE 2.602 . 3.448 6.903 6.903 6.903 3.455 1 1 [+] 1
499 1 90 VAL HA 1 90 VAL HB 2.444 . 3.191 2.392 2.392 2.392 . 0 0 "[ ]" 1
500 1 90 VAL HA 1 90 VAL QG 2.015 . 2.523 2.357 2.357 2.357 . 0 0 "[ ]" 1
501 1 22 PHE QD 1 26 PHE QB 2.591 . 3.430 5.212 5.212 5.212 1.782 1 1 [+] 1
502 1 22 PHE HA 1 22 PHE QD 2.538 . 3.343 2.859 2.859 2.859 . 0 0 "[ ]" 1
503 1 22 PHE HB2 1 22 PHE QD 2.456 . 3.210 2.413 2.413 2.413 . 0 0 "[ ]" 1
504 1 51 PHE HB3 1 51 PHE QD 2.238 . 2.864 2.257 2.257 2.257 . 0 0 "[ ]" 1
505 1 51 PHE QD 1 71 ALA MB 2.222 . 2.839 2.493 2.493 2.493 . 0 0 "[ ]" 1
506 1 26 PHE HA 1 26 PHE QD 2.614 . 3.468 2.499 2.499 2.499 . 0 0 "[ ]" 1
507 1 26 PHE HA 1 26 PHE QB 2.554 . 3.369 2.278 2.278 2.278 . 0 0 "[ ]" 1
508 1 26 PHE HA 1 29 GLN QB 2.329 . 3.007 2.604 2.604 2.604 . 0 0 "[ ]" 1
509 1 4 PHE QD 1 5 GLU QG 2.382 . 3.091 3.099 3.099 3.099 0.008 1 0 "[ ]" 1
510 1 92 PHE HA 1 92 PHE QD 2.587 . 3.424 2.060 2.060 2.060 . 0 0 "[ ]" 1
511 1 92 PHE HB3 1 92 PHE QD 2.496 . 3.275 2.740 2.740 2.740 . 0 0 "[ ]" 1
512 1 85 MET HA 1 91 THR HA 2.385 . 3.096 2.727 2.727 2.727 . 0 0 "[ ]" 1
513 1 22 PHE HA 1 22 PHE HB2 2.489 . 3.263 2.572 2.572 2.572 . 0 0 "[ ]" 1
514 1 22 PHE HA 1 25 LYS QB 2.350 . 3.040 2.940 2.940 2.940 . 0 0 "[ ]" 1
515 1 9 ILE QG 1 81 PHE QE 2.256 . 2.892 2.330 2.330 2.330 . 0 0 "[ ]" 1
516 1 92 PHE QE 1 117 LEU MD2 2.271 . 2.916 1.833 1.833 1.833 . 0 0 "[ ]" 1
517 1 8 LYS QG 1 51 PHE QE 2.302 . 2.964 2.392 2.392 2.392 . 0 0 "[ ]" 1
518 1 27 TYR HA 1 27 TYR QB 2.627 . 3.490 2.497 2.497 2.497 . 0 0 "[ ]" 1
519 1 8 LYS QD 1 51 PHE QE 2.393 . 3.109 2.014 2.014 2.014 . 0 0 "[ ]" 1
520 1 12 VAL MG1 1 51 PHE QE 2.490 . 3.265 3.237 3.237 3.237 . 0 0 "[ ]" 1
521 1 4 PHE HZ 1 8 LYS QG 2.391 . 3.106 3.081 3.081 3.081 . 0 0 "[ ]" 1
522 1 53 ILE HA 1 71 ALA MB 2.578 . 3.408 3.422 3.422 3.422 0.014 1 0 "[ ]" 1
523 1 53 ILE HA 1 53 ILE MG 2.245 . 2.875 2.542 2.542 2.542 . 0 0 "[ ]" 1
524 1 45 ILE HA 1 45 ILE HB 2.451 . 3.202 2.981 2.981 2.981 . 0 0 "[ ]" 1
525 1 45 ILE HA 1 45 ILE MG 1.891 . 2.338 2.195 2.195 2.195 . 0 0 "[ ]" 1
526 1 6 LYS HA 1 6 LYS QD 2.562 . 3.382 2.292 2.292 2.292 . 0 0 "[ ]" 1
527 1 6 LYS HA 1 6 LYS QB 2.002 . 2.503 2.279 2.279 2.279 . 0 0 "[ ]" 1
528 1 6 LYS HA 1 9 ILE HB 2.133 . 2.702 2.438 2.438 2.438 . 0 0 "[ ]" 1
529 1 8 LYS QB 1 81 PHE QE 2.571 . 3.397 3.115 3.115 3.115 . 0 0 "[ ]" 1
530 1 4 PHE HA 1 7 ALA MB 2.127 . 2.693 2.724 2.724 2.724 0.031 1 0 "[ ]" 1
531 1 4 PHE HA 1 4 PHE QD 2.361 . 3.058 2.652 2.652 2.652 . 0 0 "[ ]" 1
532 1 24 GLU HA 1 24 GLU HB2 2.462 . 3.220 2.519 2.519 2.519 . 0 0 "[ ]" 1
533 1 24 GLU HA 1 24 GLU QG 2.580 . 3.297 2.384 2.384 2.384 . 0 0 "[ ]" 1
534 1 24 GLU HA 1 24 GLU HB3 2.401 . 3.122 3.021 3.021 3.021 . 0 0 "[ ]" 1
535 1 38 THR HA 1 38 THR MG 2.113 . 2.671 2.231 2.231 2.231 . 0 0 "[ ]" 1
536 1 18 GLU HA 1 18 GLU QB 2.149 . 2.726 2.495 2.495 2.495 . 0 0 "[ ]" 1
537 1 72 VAL HA 1 72 VAL HB 2.494 . 3.271 3.028 3.028 3.028 . 0 0 "[ ]" 1
538 1 13 ARG HA 1 16 LEU QB 2.281 . 2.931 1.787 1.787 1.787 . 0 0 "[ ]" 1
539 1 13 ARG HA 1 13 ARG QB 2.452 . 3.203 2.519 2.519 2.519 . 0 0 "[ ]" 1
540 1 13 ARG HA 1 83 ILE MG 2.210 . 2.820 2.821 2.821 2.821 0.001 1 0 "[ ]" 1
541 1 83 ILE HA 1 83 ILE HB 2.343 . 3.029 3.027 3.027 3.027 . 0 0 "[ ]" 1
542 1 82 ILE HA 1 82 ILE MG 2.190 . 2.790 2.296 2.296 2.296 . 0 0 "[ ]" 1
543 1 82 ILE HA 1 82 ILE HB 2.524 . 3.320 2.514 2.514 2.514 . 0 0 "[ ]" 1
544 1 18 GLU HA 1 21 HIS HB2 2.405 . 3.128 2.956 2.956 2.956 . 0 0 "[ ]" 1
545 1 4 PHE QE 1 8 LYS QG 2.361 . 3.058 3.470 3.470 3.470 0.412 1 0 "[ ]" 1
546 1 28 LEU HA 1 28 LEU HB3 2.012 . 2.518 2.461 2.461 2.461 . 0 0 "[ ]" 1
547 1 5 GLU HA 1 5 GLU QG 2.050 . 2.575 2.567 2.567 2.567 . 0 0 "[ ]" 1
548 1 83 ILE HA 1 93 ILE HA 2.369 . 3.071 3.105 3.105 3.105 0.034 1 0 "[ ]" 1
549 1 93 ILE HA 1 93 ILE HB 2.328 . 3.005 2.972 2.972 2.972 . 0 0 "[ ]" 1
550 1 93 ILE HA 1 93 ILE MG 2.246 . 2.877 2.217 2.217 2.217 . 0 0 "[ ]" 1
551 1 93 ILE HA 1 93 ILE MD 2.407 . 3.131 2.544 2.544 2.544 . 0 0 "[ ]" 1
552 1 16 LEU HA 1 19 ASN HB2 2.549 . 3.361 2.434 2.434 2.434 . 0 0 "[ ]" 1
553 1 87 GLU HA 1 87 GLU QG 2.482 . 3.252 2.639 2.639 2.639 . 0 0 "[ ]" 1
554 1 97 SER HA 1 97 SER QB 2.368 . 2.953 2.273 2.273 2.273 . 0 0 "[ ]" 1
555 1 67 PHE HA 1 87 GLU QG 2.411 . 3.138 3.968 3.968 3.968 0.830 1 1 [+] 1
556 1 118 PHE HA 1 118 PHE QD 2.449 . 3.199 2.663 2.663 2.663 . 0 0 "[ ]" 1
557 1 42 SER HA 1 42 SER QB 1.854 . 2.284 2.198 2.198 2.198 . 0 0 "[ ]" 1
558 1 29 GLN HA 1 29 GLN HG3 2.399 . 3.119 3.052 3.052 3.052 . 0 0 "[ ]" 1
559 1 29 GLN HA 1 29 GLN HG2 2.188 . 2.786 2.493 2.493 2.493 . 0 0 "[ ]" 1
560 1 28 LEU HA 1 28 LEU QD 1.855 . 2.285 2.089 2.089 2.089 . 0 0 "[ ]" 1
561 1 17 LEU HA 1 17 LEU QD 1.928 . 2.393 1.836 1.836 1.836 . 0 0 "[ ]" 1
562 1 118 PHE HA 1 118 PHE QB 2.299 . 2.960 2.394 2.394 2.394 . 0 0 "[ ]" 1
563 1 95 LYS HA 1 95 LYS QD 2.218 . 2.833 2.736 2.736 2.736 . 0 0 "[ ]" 1
564 1 95 LYS HA 1 95 LYS QG 2.237 . 2.862 2.506 2.506 2.506 . 0 0 "[ ]" 1
565 1 19 ASN HA 1 23 MET QG 2.513 . 3.302 4.324 4.324 4.324 1.022 1 1 [+] 1
566 1 95 LYS HA 1 113 LYS QG 2.054 . 2.581 5.507 5.507 5.507 2.926 1 1 [+] 1
567 1 78 LYS HA 1 78 LYS HB2 2.015 . 2.522 2.689 2.689 2.689 0.167 1 0 "[ ]" 1
568 1 78 LYS HA 1 78 LYS QD 2.163 . 2.748 2.608 2.608 2.608 . 0 0 "[ ]" 1
569 1 117 LEU HA 1 117 LEU MD2 2.462 . 3.220 1.991 1.991 1.991 . 0 0 "[ ]" 1
570 1 51 PHE HA 1 51 PHE QD 2.601 . 3.447 3.040 3.040 3.040 . 0 0 "[ ]" 1
571 1 51 PHE HA 1 73 ALA HA 2.021 . 2.531 2.225 2.225 2.225 . 0 0 "[ ]" 1
572 1 100 SER HA 1 100 SER QB 2.102 . 2.654 2.382 2.382 2.382 . 0 0 "[ ]" 1
573 1 72 VAL QG 1 100 SER HA 2.110 . 2.667 2.668 2.668 2.668 0.001 1 0 "[ ]" 1
574 1 101 CYS HA 1 101 CYS QB 2.395 . 2.680 2.386 2.386 2.386 . 0 0 "[ ]" 1
575 1 10 ASN HA 1 10 ASN HB3 2.306 . 2.971 3.016 3.016 3.016 0.045 1 0 "[ ]" 1
576 1 10 ASN HA 1 13 ARG QB 2.285 . 2.937 2.406 2.406 2.406 . 0 0 "[ ]" 1
577 1 9 ILE MG 1 10 ASN HA 2.638 . 3.508 3.024 3.024 3.024 . 0 0 "[ ]" 1
578 1 92 PHE QD 1 117 LEU HA 2.433 . 3.173 2.501 2.501 2.501 . 0 0 "[ ]" 1
579 1 49 GLU HA 1 49 GLU QB 2.085 . 2.629 2.357 2.357 2.357 . 0 0 "[ ]" 1
580 1 94 CYS HA 1 115 CYS HA 2.309 . 2.976 1.911 1.911 1.911 . 0 0 "[ ]" 1
581 1 92 PHE HA 1 117 LEU HA 2.358 . 3.053 3.081 3.081 3.081 0.028 1 0 "[ ]" 1
582 1 92 PHE HA 1 92 PHE HB2 2.561 . 3.381 3.031 3.031 3.031 . 0 0 "[ ]" 1
583 1 70 LYS HA 1 84 LYS QD 2.572 . 3.399 2.136 2.136 2.136 . 0 0 "[ ]" 1
584 1 107 TYR HA 1 107 TYR QD 2.615 . 3.470 2.397 2.397 2.397 . 0 0 "[ ]" 1
585 1 19 ASN HA 1 43 LEU QD 2.553 . 3.368 1.804 1.804 1.804 . 0 0 "[ ]" 1
586 1 55 LEU HA 1 55 LEU QD 2.320 . 2.993 2.066 2.066 2.066 . 0 0 "[ ]" 1
587 1 14 ALA HA 1 17 LEU QD 2.110 . 2.667 2.697 2.697 2.697 0.030 1 0 "[ ]" 1
588 1 14 ALA HA 1 17 LEU HB2 2.276 . 2.923 2.090 2.090 2.090 . 0 0 "[ ]" 1
589 1 23 MET HA 1 23 MET QG 2.517 . 3.309 3.315 3.315 3.315 0.006 1 0 "[ ]" 1
590 1 20 ALA HA 1 20 ALA MB 2.003 . 2.504 2.126 2.126 2.126 . 0 0 "[ ]" 1
591 1 47 GLU HG2 1 52 CYS HA 2.592 . 3.432 2.688 2.688 2.688 . 0 0 "[ ]" 1
592 1 47 GLU HA 1 52 CYS HA 2.216 . 2.830 1.739 1.739 1.739 . 0 0 "[ ]" 1
593 1 52 CYS HA 1 52 CYS HB3 2.447 . 3.195 2.412 2.412 2.412 . 0 0 "[ ]" 1
594 1 47 GLU QB 1 52 CYS HA 2.489 . 3.264 3.067 3.067 3.067 . 0 0 "[ ]" 1
595 1 47 GLU HA 1 47 GLU HG2 2.301 . 2.963 2.467 2.467 2.467 . 0 0 "[ ]" 1
596 1 47 GLU HA 1 47 GLU QB 2.017 . 2.525 2.358 2.358 2.358 . 0 0 "[ ]" 1
597 1 107 TYR HA 1 108 PHE QD 2.638 . 3.508 3.314 3.314 3.314 . 0 0 "[ ]" 1
598 1 66 LYS HA 1 66 LYS HB2 2.277 . 2.925 3.025 3.025 3.025 0.100 1 0 "[ ]" 1
599 1 66 LYS HA 1 66 LYS QG 2.488 . 3.261 2.392 2.392 2.392 . 0 0 "[ ]" 1
600 1 66 LYS HA 1 66 LYS HB3 2.519 . 3.312 2.499 2.499 2.499 . 0 0 "[ ]" 1
601 1 11 ALA HA 1 11 ALA MB 1.663 . 2.009 2.117 2.117 2.117 0.108 1 0 "[ ]" 1
602 1 112 ASP HA 1 112 ASP QB 2.474 . 3.239 2.184 2.184 2.184 . 0 0 "[ ]" 1
603 1 7 ALA HA 1 7 ALA MB 1.729 . 2.103 2.128 2.128 2.128 0.025 1 0 "[ ]" 1
604 1 85 MET HA 1 85 MET ME 2.482 . 3.252 3.728 3.728 3.728 0.476 1 0 "[ ]" 1
605 1 84 LYS HA 1 84 LYS QD 2.619 . 3.476 1.788 1.788 1.788 . 0 0 "[ ]" 1
606 1 116 LYS HA 1 116 LYS QG 2.231 . 2.853 2.688 2.688 2.688 . 0 0 "[ ]" 1
607 1 105 LEU MD2 1 106 ASP HA 2.638 . 3.508 3.728 3.728 3.728 0.220 1 0 "[ ]" 1
608 1 15 ALA HA 1 18 GLU QB 2.453 . 3.205 3.171 3.171 3.171 . 0 0 "[ ]" 1
609 1 15 ALA HA 1 15 ALA MB 1.879 . 2.320 2.129 2.129 2.129 . 0 0 "[ ]" 1
610 1 70 LYS HA 1 84 LYS HA 2.451 . 3.202 2.502 2.502 2.502 . 0 0 "[ ]" 1
611 1 84 LYS HA 1 84 LYS QB 2.580 . 3.412 2.532 2.532 2.532 . 0 0 "[ ]" 1
612 1 105 LEU HA 1 105 LEU MD2 1.966 . 2.449 2.412 2.412 2.412 . 0 0 "[ ]" 1
613 1 68 MET HA 1 68 MET QG 2.510 . 3.298 3.555 3.555 3.555 0.257 1 0 "[ ]" 1
614 1 106 ASP HA 1 106 ASP HB2 2.231 . 2.853 2.507 2.507 2.507 . 0 0 "[ ]" 1
615 1 106 ASP HA 1 106 ASP HB3 2.157 . 2.739 2.984 2.984 2.984 0.245 1 0 "[ ]" 1
616 1 48 ALA HA 1 48 ALA MB 1.817 . 2.230 2.127 2.127 2.127 . 0 0 "[ ]" 1
617 1 88 ASN HA 1 88 ASN HB2 2.202 . 2.808 2.600 2.600 2.600 . 0 0 "[ ]" 1
618 1 43 LEU HA 1 43 LEU QB 2.571 . 3.398 2.402 2.402 2.402 . 0 0 "[ ]" 1
619 1 43 LEU HA 1 43 LEU HG 2.591 . 3.430 2.999 2.999 2.999 . 0 0 "[ ]" 1
620 1 74 ILE MG 1 75 ASP HA 2.578 . 3.409 3.426 3.426 3.426 0.017 1 0 "[ ]" 1
621 1 75 ASP HA 1 75 ASP HB3 2.101 . 2.653 2.467 2.467 2.467 . 0 0 "[ ]" 1
622 1 75 ASP HA 1 109 LYS QB 2.623 . 3.483 3.703 3.703 3.703 0.220 1 0 "[ ]" 1
623 1 98 ALA HA 1 98 ALA MB 1.845 . 2.271 2.133 2.133 2.133 . 0 0 "[ ]" 1
624 1 86 ASN HA 1 86 ASN HB2 2.443 . 3.189 2.445 2.445 2.445 . 0 0 "[ ]" 1
625 1 86 ASN HA 1 86 ASN HB3 2.450 . 3.200 3.028 3.028 3.028 . 0 0 "[ ]" 1
626 1 79 ASN HA 1 79 ASN HB2 2.377 . 3.084 3.029 3.029 3.029 . 0 0 "[ ]" 1
627 1 79 ASN HA 1 79 ASN HB3 2.284 . 2.936 2.458 2.458 2.458 . 0 0 "[ ]" 1
628 1 79 ASN HA 1 80 PRO HD2 2.210 . 2.821 2.286 2.286 2.286 . 0 0 "[ ]" 1
629 1 79 ASN HA 1 80 PRO HD3 2.241 . 2.869 2.156 2.156 2.156 . 0 0 "[ ]" 1
630 1 53 ILE HA 1 71 ALA HA 2.433 . 3.173 2.646 2.646 2.646 . 0 0 "[ ]" 1
631 1 71 ALA HA 1 71 ALA MB 2.196 . 2.799 2.091 2.091 2.091 . 0 0 "[ ]" 1
632 1 52 CYS HB2 1 54 ARG QD 2.454 . 3.207 3.247 3.247 3.247 0.040 1 0 "[ ]" 1
633 1 52 CYS HA 1 52 CYS HB2 2.399 . 3.119 2.509 2.509 2.509 . 0 0 "[ ]" 1
634 1 117 LEU HA 1 117 LEU HB2 2.310 . 2.977 2.607 2.607 2.607 . 0 0 "[ ]" 1
635 1 117 LEU HB2 1 117 LEU MD2 2.262 . 2.902 2.371 2.371 2.371 . 0 0 "[ ]" 1
636 1 117 LEU HB3 1 117 LEU MD2 2.504 . 3.287 3.195 3.195 3.195 . 0 0 "[ ]" 1
637 1 92 PHE HB2 1 92 PHE QD 2.588 . 3.425 2.307 2.307 2.307 . 0 0 "[ ]" 1
638 1 117 LEU HB2 1 117 LEU MD1 2.473 . 3.237 3.200 3.200 3.200 . 0 0 "[ ]" 1
639 1 8 LYS QD 1 8 LYS QE 1.894 . 2.342 2.084 2.084 2.084 . 0 0 "[ ]" 1
640 1 46 LYS HD3 1 46 LYS QE 1.982 . 2.473 2.339 2.339 2.339 . 0 0 "[ ]" 1
641 1 17 LEU HA 1 17 LEU HB3 2.385 . 3.096 2.821 2.821 2.821 . 0 0 "[ ]" 1
642 1 92 PHE QE 1 119 LYS QE 2.548 . 3.359 3.498 3.498 3.498 0.139 1 0 "[ ]" 1
643 1 6 LYS QD 1 6 LYS QE 1.970 . 2.455 1.998 1.998 1.998 . 0 0 "[ ]" 1
644 1 117 LEU MD2 1 119 LYS QE 2.592 . 3.432 2.735 2.735 2.735 . 0 0 "[ ]" 1
645 1 28 LEU HB2 1 28 LEU QD 1.938 . 2.408 2.240 2.240 2.240 . 0 0 "[ ]" 1
646 1 53 ILE HA 1 53 ILE HB 2.636 . 3.504 3.015 3.015 3.015 . 0 0 "[ ]" 1
647 1 81 PHE QB 1 114 ASP QB 1.956 . 2.390 5.966 5.966 5.966 3.576 1 1 [+] 1
648 1 75 ASP HB2 1 78 LYS HB3 2.520 . 3.314 2.236 2.236 2.236 . 0 0 "[ ]" 1
649 1 77 ASP HA 1 77 ASP QB 2.279 . 2.928 2.183 2.183 2.183 . 0 0 "[ ]" 1
650 1 93 ILE HB 1 93 ILE QG 2.367 . 3.007 2.171 2.171 2.171 . 0 0 "[ ]" 1
651 1 93 ILE HB 1 93 ILE MG 2.163 . 2.748 2.120 2.120 2.120 . 0 0 "[ ]" 1
652 1 25 LYS HG2 1 26 PHE QB 2.565 . 3.387 3.340 3.340 3.340 . 0 0 "[ ]" 1
653 1 113 LYS QG 1 114 ASP QB 2.695 . 3.603 2.602 2.602 2.602 . 0 0 "[ ]" 1
654 1 22 PHE HB3 1 22 PHE QD 2.661 . 3.546 2.374 2.374 2.374 . 0 0 "[ ]" 1
655 1 7 ALA HA 1 10 ASN HB2 2.734 . 3.668 3.675 3.675 3.675 0.007 1 0 "[ ]" 1
656 1 10 ASN HA 1 10 ASN HB2 2.648 . 3.524 2.485 2.485 2.485 . 0 0 "[ ]" 1
657 1 47 GLU QB 1 47 GLU HG3 2.215 . 2.828 2.142 2.142 2.142 . 0 0 "[ ]" 1
658 1 84 LYS QB 1 92 PHE HB3 2.844 . 3.855 3.632 3.632 3.632 . 0 0 "[ ]" 1
659 1 9 ILE HA 1 9 ILE HB 2.653 . 3.533 3.017 3.017 3.017 . 0 0 "[ ]" 1
660 1 47 GLU HG3 1 52 CYS HA 2.765 . 3.721 3.859 3.859 3.859 0.138 1 0 "[ ]" 1
661 1 49 GLU HA 1 49 GLU QG 2.724 . 3.651 3.028 3.028 3.028 . 0 0 "[ ]" 1
662 1 3 GLU QG 1 7 ALA MB 2.664 . 3.551 3.156 3.156 3.156 . 0 0 "[ ]" 1
663 1 24 GLU QG 1 28 LEU QD 2.816 . 3.807 2.170 2.170 2.170 . 0 0 "[ ]" 1
664 1 75 ASP HB2 1 78 LYS HB2 2.784 . 3.753 2.437 2.437 2.437 . 0 0 "[ ]" 1
665 1 78 LYS HB3 1 78 LYS QD 2.276 . 2.923 2.368 2.368 2.368 . 0 0 "[ ]" 1
666 1 22 PHE QD 1 41 PRO QB 2.812 . 3.800 2.814 2.814 2.814 . 0 0 "[ ]" 1
667 1 73 ALA MB 1 76 LYS QB 2.777 . 3.741 3.641 3.641 3.641 . 0 0 "[ ]" 1
668 1 76 LYS QB 1 76 LYS QD 2.176 . 2.768 2.720 2.720 2.720 . 0 0 "[ ]" 1
669 1 85 MET HA 1 85 MET QG 2.810 . 3.797 2.630 2.630 2.630 . 0 0 "[ ]" 1
670 1 21 HIS HA 1 24 GLU HB2 2.826 . 3.824 2.354 2.354 2.354 . 0 0 "[ ]" 1
671 1 9 ILE QG 1 9 ILE MG 2.776 . 3.739 2.261 2.261 2.261 . 0 0 "[ ]" 1
672 1 21 HIS HB2 1 21 HIS HD2 2.747 . 3.690 2.967 2.967 2.967 . 0 0 "[ ]" 1
673 1 108 PHE QB 1 109 LYS QD 2.529 . 3.329 4.925 4.925 4.925 1.596 1 1 [+] 1
674 1 4 PHE QD 1 8 LYS QD 2.792 . 3.766 4.185 4.185 4.185 0.419 1 0 "[ ]" 1
675 1 83 ILE HA 1 83 ILE QG 2.694 . 3.601 2.429 2.429 2.429 . 0 0 "[ ]" 1
676 1 12 VAL HA 1 49 GLU QB 2.793 . 3.768 2.686 2.686 2.686 . 0 0 "[ ]" 1
677 1 17 LEU QD 1 17 LEU HG 1.843 . 2.268 1.890 1.890 1.890 . 0 0 "[ ]" 1
678 1 12 VAL MG2 1 16 LEU HG 2.692 . 3.598 3.634 3.634 3.634 0.036 1 0 "[ ]" 1
679 1 16 LEU MD1 1 70 LYS HA 2.688 . 3.591 3.794 3.794 3.794 0.203 1 0 "[ ]" 1
680 1 92 PHE QD 1 117 LEU MD1 2.761 . 3.714 3.680 3.680 3.680 . 0 0 "[ ]" 1
681 1 117 LEU MD1 1 119 LYS QG 2.573 . 3.400 1.849 1.849 1.849 . 0 0 "[ ]" 1
682 1 12 VAL MG1 1 51 PHE HB2 2.711 . 3.630 2.589 2.589 2.589 . 0 0 "[ ]" 1
683 1 8 LYS HA 1 12 VAL MG1 2.817 . 3.809 3.834 3.834 3.834 0.025 1 0 "[ ]" 1
684 1 38 THR MG 1 40 TRP HH2 2.741 . 3.680 3.717 3.717 3.717 0.037 1 0 "[ ]" 1
685 1 13 ARG HA 1 91 THR MG 2.749 . 3.694 4.587 4.587 4.587 0.893 1 1 [+] 1
686 1 16 LEU QB 1 91 THR MG 2.367 . 3.067 4.252 4.252 4.252 1.185 1 1 [+] 1
687 1 51 PHE HZ 1 73 ALA MB 2.686 . 3.588 2.953 2.953 2.953 . 0 0 "[ ]" 1
688 1 53 ILE MG 1 71 ALA HA 2.766 . 3.722 4.481 4.481 4.481 0.759 1 1 [+] 1
689 1 13 ARG QD 1 83 ILE MG 2.674 . 3.568 3.365 3.365 3.365 . 0 0 "[ ]" 1
690 1 19 ASN HB2 1 23 MET ME 2.666 . 3.555 3.556 3.556 3.556 0.001 1 0 "[ ]" 1
691 1 20 ALA MB 1 23 MET ME 2.307 . 2.972 2.701 2.701 2.701 . 0 0 "[ ]" 1
692 1 23 MET ME 1 85 MET QG 2.095 . 2.644 1.792 1.792 1.792 . 0 0 "[ ]" 1
693 1 85 MET ME 1 91 THR HB 2.788 . 3.760 3.887 3.887 3.887 0.127 1 0 "[ ]" 1
694 1 9 ILE MG 1 13 ARG QB 2.643 . 3.516 2.640 2.640 2.640 . 0 0 "[ ]" 1
695 1 81 PHE QE 1 93 ILE MG 2.682 . 3.581 4.108 4.108 4.108 0.527 1 1 [+] 1
696 1 5 GLU HB2 1 9 ILE MD 2.647 . 3.523 3.494 3.494 3.494 . 0 0 "[ ]" 1
697 1 51 PHE HA 1 74 ILE MD 2.823 . 3.819 2.515 2.515 2.515 . 0 0 "[ ]" 1
698 1 83 ILE HA 1 93 ILE MD 2.791 . 3.765 2.952 2.952 2.952 . 0 0 "[ ]" 1
699 1 97 SER QB 1 99 SER QB 2.685 . 3.586 5.204 5.204 5.204 1.618 1 1 [+] 1
700 1 76 LYS HA 1 80 PRO HA 2.784 . 3.753 3.824 3.824 3.824 0.071 1 0 "[ ]" 1
701 1 22 PHE QE 1 23 MET HA 2.910 . 3.968 5.371 5.371 5.371 1.403 1 1 [+] 1
702 1 27 TYR QD 1 89 LEU QD 2.708 . 3.625 2.721 2.721 2.721 . 0 0 "[ ]" 1
703 1 86 ASN HB3 1 92 PHE QE 2.647 . 3.523 3.289 3.289 3.289 . 0 0 "[ ]" 1
704 1 4 PHE HZ 1 80 PRO HD3 2.846 . 3.859 3.870 3.870 3.870 0.011 1 0 "[ ]" 1
705 1 9 ILE MD 1 81 PHE QE 2.700 . 3.611 3.644 3.644 3.644 0.033 1 0 "[ ]" 1
706 1 9 ILE MG 1 118 PHE QD 2.729 . 3.660 3.776 3.776 3.776 0.116 1 0 "[ ]" 1
707 1 22 PHE QD 1 25 LYS QE 2.815 . 3.805 3.562 3.562 3.562 . 0 0 "[ ]" 1
708 1 8 LYS QE 1 51 PHE QE 2.688 . 3.591 3.438 3.438 3.438 . 0 0 "[ ]" 1
709 1 51 PHE QE 1 79 ASN HB3 2.802 . 3.784 2.910 2.910 2.910 . 0 0 "[ ]" 1
710 1 5 GLU HA 1 81 PHE QE 2.814 . 3.804 2.161 2.161 2.161 . 0 0 "[ ]" 1
711 1 4 PHE QE 1 80 PRO QG 2.679 . 3.576 3.172 3.172 3.172 . 0 0 "[ ]" 1
712 1 4 PHE QE 1 80 PRO HD3 2.788 . 3.759 2.393 2.393 2.393 . 0 0 "[ ]" 1
713 1 40 TRP HD1 1 59 ALA MB 2.920 . 3.986 16.334 16.334 16.334 12.348 1 1 [+] 1
714 1 22 PHE HA 1 22 PHE HB3 2.771 . 3.731 3.021 3.021 3.021 . 0 0 "[ ]" 1
715 1 85 MET ME 1 91 THR HA 3.009 . 4.141 3.689 3.689 3.689 . 0 0 "[ ]" 1
716 1 51 PHE QD 1 72 VAL HA 2.726 . 3.655 3.161 3.161 3.161 . 0 0 "[ ]" 1
717 1 72 VAL HA 1 82 ILE HA 2.718 . 3.642 3.304 3.304 3.304 . 0 0 "[ ]" 1
718 1 72 VAL QG 1 99 SER HA 2.841 . 3.850 3.537 3.537 3.537 . 0 0 "[ ]" 1
719 1 25 LYS HA 1 28 LEU QD 2.308 . 2.974 2.446 2.446 2.446 . 0 0 "[ ]" 1
720 1 51 PHE QE 1 82 ILE HA 2.845 . 3.857 1.955 1.955 1.955 . 0 0 "[ ]" 1
721 1 5 GLU HA 1 9 ILE MD 2.767 . 3.724 3.497 3.497 3.497 . 0 0 "[ ]" 1
722 1 42 SER HA 1 43 LEU QD 2.765 . 3.721 4.268 4.268 4.268 0.547 1 1 [+] 1
723 1 21 HIS HA 1 21 HIS HD2 2.731 . 3.664 3.702 3.702 3.702 0.038 1 0 "[ ]" 1
724 1 72 VAL HB 1 100 SER HA 2.637 . 3.506 3.821 3.821 3.821 0.315 1 0 "[ ]" 1
725 1 19 ASN HA 1 22 PHE QE 2.830 . 3.831 5.882 5.882 5.882 2.051 1 1 [+] 1
726 1 19 ASN HA 1 22 PHE QD 2.885 . 3.925 4.061 4.061 4.061 0.136 1 0 "[ ]" 1
727 1 100 SER HA 1 109 LYS QE 2.650 . 3.528 2.195 2.195 2.195 . 0 0 "[ ]" 1
728 1 115 CYS HA 1 115 CYS HB3 2.713 . 3.633 2.704 2.704 2.704 . 0 0 "[ ]" 1
729 1 85 MET HA 1 85 MET QB 2.669 . 3.559 2.538 2.538 2.538 . 0 0 "[ ]" 1
730 1 23 MET ME 1 85 MET HA 2.769 . 3.727 3.360 3.360 3.360 . 0 0 "[ ]" 1
731 1 85 MET HA 1 91 THR MG 2.806 . 3.790 3.853 3.853 3.853 0.063 1 0 "[ ]" 1
732 1 16 LEU MD1 1 85 MET HA 2.891 . 3.936 4.208 4.208 4.208 0.272 1 0 "[ ]" 1
733 1 94 CYS HA 1 94 CYS HB2 2.778 . 3.743 3.018 3.018 3.018 . 0 0 "[ ]" 1
734 1 84 LYS HA 1 84 LYS QE 2.753 . 3.700 3.586 3.586 3.586 . 0 0 "[ ]" 1
735 1 52 CYS HA 1 74 ILE MD 2.802 . 3.784 3.234 3.234 3.234 . 0 0 "[ ]" 1
736 1 84 LYS HA 1 84 LYS QG 2.977 . 4.085 2.582 2.582 2.582 . 0 0 "[ ]" 1
737 1 51 PHE QD 1 73 ALA HA 2.835 . 3.840 3.290 3.290 3.290 . 0 0 "[ ]" 1
738 1 43 LEU HA 1 44 PRO HD2 2.662 . 3.548 2.405 2.405 2.405 . 0 0 "[ ]" 1
739 1 82 ILE MG 1 98 ALA HA 2.883 . 3.922 5.283 5.283 5.283 1.361 1 1 [+] 1
740 1 18 GLU HA 1 21 HIS HD2 2.788 . 3.760 3.226 3.226 3.226 . 0 0 "[ ]" 1
741 1 17 LEU QD 1 21 HIS HD2 2.672 . 3.564 2.866 2.866 2.866 . 0 0 "[ ]" 1
742 1 51 PHE HB3 1 71 ALA HA 2.908 . 3.965 3.654 3.654 3.654 . 0 0 "[ ]" 1
743 1 16 LEU MD2 1 71 ALA HA 2.681 . 3.579 3.646 3.646 3.646 0.067 1 0 "[ ]" 1
744 1 40 TRP HZ2 1 59 ALA MB 2.893 . 3.940 16.169 16.169 16.169 12.229 1 1 [+] 1
745 1 74 ILE QG 1 105 LEU QB 2.292 . 2.949 1.926 1.926 1.926 . 0 0 "[ ]" 1
746 1 117 LEU HB3 1 117 LEU MD1 2.615 . 3.470 2.355 2.355 2.355 . 0 0 "[ ]" 1
747 1 92 PHE HA 1 92 PHE HB3 2.775 . 3.738 2.453 2.453 2.453 . 0 0 "[ ]" 1
748 1 17 LEU HA 1 17 LEU HB2 2.480 . 3.249 2.836 2.836 2.836 . 0 0 "[ ]" 1
749 1 51 PHE HZ 1 79 ASN HB2 2.940 . 4.020 3.676 3.676 3.676 . 0 0 "[ ]" 1
750 1 51 PHE HZ 1 79 ASN HB3 2.864 . 3.889 2.321 2.321 2.321 . 0 0 "[ ]" 1
751 1 101 CYS QB 1 104 GLY QA 2.654 . 3.534 4.378 4.378 4.378 0.844 1 1 [+] 1
752 1 8 LYS HA 1 8 LYS QE 2.542 . 3.350 1.842 1.842 1.842 . 0 0 "[ ]" 1
753 1 76 LYS HA 1 79 ASN HB2 2.844 . 3.855 3.655 3.655 3.655 . 0 0 "[ ]" 1
754 1 51 PHE QE 1 79 ASN HB2 2.825 . 3.822 3.720 3.720 3.720 . 0 0 "[ ]" 1
755 1 51 PHE HB2 1 83 ILE MD 2.802 . 3.784 3.867 3.867 3.867 0.083 1 0 "[ ]" 1
756 1 75 ASP HB3 1 78 LYS HB3 2.691 . 3.596 3.222 3.222 3.222 . 0 0 "[ ]" 1
757 1 75 ASP HA 1 75 ASP HB2 2.843 . 3.853 3.030 3.030 3.030 . 0 0 "[ ]" 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 301
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 38.887
_Distance_constraint_stats_list.Viol_max 8.540
_Distance_constraint_stats_list.Viol_rms 0.6118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1292
_Distance_constraint_stats_list.Viol_average_violations_only 0.6705
_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 3 GLU 1.688 1.460 1 1 [+]
1 4 PHE 2.237 1.448 1 1 [+]
1 5 GLU 1.460 1.460 1 1 [+]
1 6 LYS 1.781 1.460 1 1 [+]
1 7 ALA 0.897 0.734 1 1 [+]
1 8 LYS 0.161 0.106 1 0 "[ ]"
1 9 ILE 0.111 0.058 1 0 "[ ]"
1 10 ASN 0.058 0.058 1 0 "[ ]"
1 11 ALA 0.387 0.224 1 0 "[ ]"
1 12 VAL 0.354 0.224 1 0 "[ ]"
1 13 ARG 0.496 0.391 1 0 "[ ]"
1 14 ALA 0.224 0.224 1 0 "[ ]"
1 15 ALA 0.696 0.696 1 1 [+]
1 16 LEU 0.687 0.468 1 0 "[ ]"
1 17 LEU 0.153 0.117 1 0 "[ ]"
1 18 GLU 2.719 2.039 1 1 [+]
1 19 ASN 0.051 0.051 1 0 "[ ]"
1 20 ALA 0.314 0.278 1 0 "[ ]"
1 21 HIS 0.278 0.278 1 0 "[ ]"
1 22 PHE 0.000 0.000 . 0 "[ ]"
1 23 MET 5.519 1.813 1 1 [+]
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 25 LYS 0.343 0.215 1 0 "[ ]"
1 26 PHE 0.115 0.115 1 0 "[ ]"
1 27 TYR 1.448 1.448 1 1 [+]
1 28 LEU 0.000 0.000 . 0 "[ ]"
1 29 GLN 0.106 0.106 1 0 "[ ]"
1 30 ASN 0.000 0.000 . 0 "[ ]"
1 31 GLY 1.448 1.448 1 1 [+]
1 38 THR 8.683 8.540 1 1 [+]
1 39 LYS 2.948 1.675 1 1 [+]
1 41 PRO 1.184 1.184 1 1 [+]
1 42 SER 0.743 0.743 1 1 [+]
1 43 LEU 1.618 0.787 1 1 [+]
1 44 PRO 0.717 0.630 1 1 [+]
1 45 ILE 1.326 0.696 1 1 [+]
1 46 LYS 2.417 2.039 1 1 [+]
1 47 GLU 0.368 0.368 1 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 GLU 1.103 0.630 1 1 [+]
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 PHE 0.203 0.085 1 0 "[ ]"
1 52 CYS 0.085 0.085 1 0 "[ ]"
1 53 ILE 2.319 0.787 1 1 [+]
1 54 ARG 0.000 0.000 . 0 "[ ]"
1 55 LEU 3.569 2.039 1 1 [+]
1 59 ALA 1.675 1.675 1 1 [+]
1 62 ALA 1.675 1.675 1 1 [+]
1 65 SER 0.000 0.000 . 0 "[ ]"
1 66 LYS 11.443 8.540 1 1 [+]
1 67 PHE 1.813 1.813 1 1 [+]
1 68 MET 2.924 1.813 1 1 [+]
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 ALA 0.550 0.468 1 0 "[ ]"
1 72 VAL 8.540 8.540 1 1 [+]
1 73 ALA 0.085 0.085 1 0 "[ ]"
1 74 ILE 0.093 0.093 1 0 "[ ]"
1 75 ASP 0.000 0.000 . 0 "[ ]"
1 76 LYS 2.746 1.448 1 1 [+]
1 77 ASP 2.811 2.811 1 1 [+]
1 78 LYS 2.903 2.811 1 1 [+]
1 79 ASN 0.000 0.000 . 0 "[ ]"
1 80 PRO 3.952 2.719 1 1 [+]
1 81 PHE 0.200 0.085 1 0 "[ ]"
1 82 ILE 1.717 1.068 1 1 [+]
1 83 ILE 0.114 0.114 1 0 "[ ]"
1 84 LYS 3.272 2.204 1 1 [+]
1 85 MET 2.258 1.148 1 1 [+]
1 86 ASN 0.067 0.053 1 0 "[ ]"
1 87 GLU 2.811 2.811 1 1 [+]
1 88 ASN 0.596 0.596 1 1 [+]
1 89 LEU 0.631 0.596 1 1 [+]
1 90 VAL 1.007 0.596 1 1 [+]
1 91 THR 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.092 0.082 1 0 "[ ]"
1 93 ILE 1.096 0.391 1 0 "[ ]"
1 94 CYS 0.048 0.048 1 0 "[ ]"
1 95 LYS 0.379 0.378 1 0 "[ ]"
1 96 LYS 5.373 2.204 1 1 [+]
1 97 SER 1.460 1.460 1 1 [+]
1 98 ALA 0.000 0.000 . 0 "[ ]"
1 99 SER 0.000 0.000 . 0 "[ ]"
1 101 CYS 0.000 0.000 . 0 "[ ]"
1 102 SER 0.000 0.000 . 0 "[ ]"
1 103 ASP 0.000 0.000 . 0 "[ ]"
1 105 LEU 0.093 0.093 1 0 "[ ]"
1 106 ASP 0.000 0.000 . 0 "[ ]"
1 107 TYR 0.000 0.000 . 0 "[ ]"
1 108 PHE 0.105 0.105 1 0 "[ ]"
1 109 LYS 1.496 1.184 1 1 [+]
1 112 ASP 1.198 1.148 1 1 [+]
1 113 LYS 9.370 8.540 1 1 [+]
1 114 ASP 3.454 2.719 1 1 [+]
1 115 CYS 0.001 0.001 1 0 "[ ]"
1 116 LYS 4.235 2.719 1 1 [+]
1 117 LEU 0.042 0.042 1 0 "[ ]"
1 118 PHE 0.387 0.345 1 0 "[ ]"
1 119 LYS 0.221 0.138 1 0 "[ ]"
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 51 PHE H 1 52 CYS H 2.933 . 4.008 4.093 4.093 4.093 0.085 1 0 "[ ]" 2
2 1 24 GLU HA 1 27 TYR QB 2.417 . 3.147 1.966 1.966 1.966 . 0 0 "[ ]" 2
3 1 3 GLU QB 1 4 PHE QB 2.406 . 3.130 2.983 2.983 2.983 . 0 0 "[ ]" 2
4 1 80 PRO QG 1 114 ASP QB 2.494 . 3.272 1.799 1.799 1.799 . 0 0 "[ ]" 2
5 1 80 PRO QG 1 114 ASP QB 2.571 . 3.398 6.117 6.117 6.117 2.719 1 1 [+] 2
6 1 5 GLU H 1 6 LYS H 2.472 . 3.236 2.229 2.229 2.229 . 0 0 "[ ]" 2
7 1 11 ALA H 1 12 VAL H 2.397 . 3.115 2.175 2.175 2.175 . 0 0 "[ ]" 2
8 1 45 ILE HB 1 45 ILE MD 1.896 . 2.345 2.009 2.009 2.009 . 0 0 "[ ]" 2
9 1 15 ALA MB 1 45 ILE HB 2.334 . 3.015 2.319 2.319 2.319 . 0 0 "[ ]" 2
10 1 74 ILE HB 1 74 ILE MG 1.967 . 2.451 1.922 1.922 1.922 . 0 0 "[ ]" 2
11 1 13 ARG H 1 15 ALA H 2.991 . 4.109 3.804 3.804 3.804 . 0 0 "[ ]" 2
12 1 24 GLU QG 1 28 LEU QD 2.616 . 3.472 2.158 2.158 2.158 . 0 0 "[ ]" 2
13 1 39 LYS QB 1 39 LYS QG 1.984 . 2.476 1.784 1.784 1.784 . 0 0 "[ ]" 2
14 1 39 LYS QB 1 39 LYS QE 2.575 . 3.404 1.917 1.917 1.917 . 0 0 "[ ]" 2
15 1 47 GLU QB 1 47 GLU HG2 1.762 . 2.150 1.729 1.729 1.729 . 0 0 "[ ]" 2
16 1 47 GLU HG2 1 74 ILE MD 2.451 . 3.202 2.366 2.366 2.366 . 0 0 "[ ]" 2
17 1 47 GLU HG3 1 74 ILE MD 2.528 . 3.327 2.101 2.101 2.101 . 0 0 "[ ]" 2
18 1 54 ARG QB 1 54 ARG QD 2.515 . 3.305 1.882 1.882 1.882 . 0 0 "[ ]" 2
19 1 12 VAL QG 1 49 GLU QG 2.551 . 3.364 2.981 2.981 2.981 . 0 0 "[ ]" 2
20 1 81 PHE HA 1 94 CYS H 2.935 . 4.012 4.060 4.060 4.060 0.048 1 0 "[ ]" 2
21 1 87 GLU HA 1 89 LEU H 2.891 . 3.936 2.795 2.795 2.795 . 0 0 "[ ]" 2
22 1 87 GLU HA 1 88 ASN H 2.783 . 3.751 2.736 2.736 2.736 . 0 0 "[ ]" 2
23 1 23 MET QG 1 68 MET QB 2.565 . 3.387 5.200 5.200 5.200 1.813 1 1 [+] 2
24 1 47 GLU QB 1 47 GLU QG 1.702 . 2.064 2.017 2.017 2.017 . 0 0 "[ ]" 2
25 1 76 LYS QB 1 109 LYS QG 2.238 . 2.864 1.889 1.889 1.889 . 0 0 "[ ]" 2
26 1 47 GLU QB 1 74 ILE MD 2.558 . 3.376 3.269 3.269 3.269 . 0 0 "[ ]" 2
27 1 6 LYS QB 1 6 LYS HG3 1.943 . 2.415 1.964 1.964 1.964 . 0 0 "[ ]" 2
28 1 23 MET QG 1 68 MET QB 2.373 . 3.077 4.188 4.188 4.188 1.111 1 1 [+] 2
29 1 23 MET QG 1 85 MET QG 2.351 . 3.042 4.190 4.190 4.190 1.148 1 1 [+] 2
30 1 8 LYS QB 1 8 LYS QG 1.991 . 2.487 1.926 1.926 1.926 . 0 0 "[ ]" 2
31 1 98 ALA HA 1 99 SER H 2.712 . 3.631 2.628 2.628 2.628 . 0 0 "[ ]" 2
32 1 12 VAL HB 1 12 VAL QG 1.962 . 2.443 1.889 1.889 1.889 . 0 0 "[ ]" 2
33 1 4 PHE HA 1 5 GLU H 2.743 . 3.683 3.220 3.220 3.220 . 0 0 "[ ]" 2
34 1 5 GLU HA 1 5 GLU HB2 2.441 . 3.186 2.961 2.961 2.961 . 0 0 "[ ]" 2
35 1 82 ILE MD 1 96 LYS QD 2.084 . 2.627 3.695 3.695 3.695 1.068 1 1 [+] 2
36 1 15 ALA HA 1 18 GLU H 2.344 . 3.031 2.647 2.647 2.647 . 0 0 "[ ]" 2
37 1 15 ALA HA 1 18 GLU QB 2.249 . 2.881 2.408 2.408 2.408 . 0 0 "[ ]" 2
38 1 18 GLU QB 1 18 GLU QG 1.869 . 2.306 1.953 1.953 1.953 . 0 0 "[ ]" 2
39 1 7 ALA HA 1 10 ASN H 2.745 . 3.687 3.552 3.552 3.552 . 0 0 "[ ]" 2
40 1 3 GLU HA 1 6 LYS QD 2.188 . 2.787 4.247 4.247 4.247 1.460 1 1 [+] 2
41 1 8 LYS H 1 8 LYS HA 2.343 . 3.029 2.519 2.519 2.519 . 0 0 "[ ]" 2
42 1 28 LEU HA 1 29 GLN H 2.917 . 3.980 2.755 2.755 2.755 . 0 0 "[ ]" 2
43 1 3 GLU HA 1 6 LYS H 2.570 . 3.396 3.189 3.189 3.189 . 0 0 "[ ]" 2
44 1 116 LYS QD 1 116 LYS QE 1.752 . 2.136 2.082 2.082 2.082 . 0 0 "[ ]" 2
45 1 5 GLU H 1 5 GLU HA 2.495 . 3.273 2.461 2.461 2.461 . 0 0 "[ ]" 2
46 1 38 THR HA 1 66 LYS QD 2.459 . 3.215 11.755 11.755 11.755 8.540 1 1 [+] 2
47 1 39 LYS QD 1 39 LYS QE 1.636 . 1.971 1.623 1.623 1.623 . 0 0 "[ ]" 2
48 1 17 LEU HA 1 20 ALA H 2.538 . 3.343 2.452 2.452 2.452 . 0 0 "[ ]" 2
49 1 16 LEU HA 1 17 LEU H 2.579 . 3.410 2.696 2.696 2.696 . 0 0 "[ ]" 2
50 1 17 LEU HA 1 21 HIS H 3.064 . 4.237 3.311 3.311 3.311 . 0 0 "[ ]" 2
51 1 8 LYS QD 1 8 LYS QG 1.948 . 2.422 1.958 1.958 1.958 . 0 0 "[ ]" 2
52 1 16 LEU HA 1 19 ASN H 2.726 . 3.655 2.600 2.600 2.600 . 0 0 "[ ]" 2
53 1 16 LEU HA 1 18 GLU H 2.962 . 4.059 3.282 3.282 3.282 . 0 0 "[ ]" 2
54 1 9 ILE QG 1 83 ILE QG 2.203 . 2.810 1.831 1.831 1.831 . 0 0 "[ ]" 2
55 1 43 LEU HA 1 43 LEU HG 2.442 . 3.188 2.276 2.276 2.276 . 0 0 "[ ]" 2
56 1 20 ALA H 1 21 HIS QB 2.982 . 4.094 4.372 4.372 4.372 0.278 1 0 "[ ]" 2
57 1 73 ALA HA 1 75 ASP H 2.849 . 3.864 3.247 3.247 3.247 . 0 0 "[ ]" 2
58 1 93 ILE HB 1 93 ILE QG 2.315 . 2.985 2.141 2.141 2.141 . 0 0 "[ ]" 2
59 1 44 PRO HD2 1 44 PRO HG2 2.311 . 2.979 1.987 1.987 1.987 . 0 0 "[ ]" 2
60 1 12 VAL H 1 12 VAL HA 2.573 . 3.401 2.797 2.797 2.797 . 0 0 "[ ]" 2
61 1 16 LEU MD1 1 16 LEU HG 2.168 . 2.755 1.939 1.939 1.939 . 0 0 "[ ]" 2
62 1 4 PHE HB2 1 8 LYS H 2.963 . 4.060 4.116 4.116 4.116 0.056 1 0 "[ ]" 2
63 1 81 PHE QB 1 116 LYS H 2.998 . 4.121 3.832 3.832 3.832 . 0 0 "[ ]" 2
64 1 81 PHE QB 1 82 ILE H 2.853 . 3.870 2.069 2.069 2.069 . 0 0 "[ ]" 2
65 1 91 THR H 1 118 PHE QB 2.763 . 3.717 3.168 3.168 3.168 . 0 0 "[ ]" 2
66 1 3 GLU HA 1 6 LYS HG3 2.492 . 3.268 3.483 3.483 3.483 0.215 1 0 "[ ]" 2
67 1 25 LYS HG2 1 26 PHE HA 2.304 . 2.968 3.083 3.083 3.083 0.115 1 0 "[ ]" 2
68 1 39 LYS HA 1 39 LYS QG 2.548 . 3.359 2.254 2.254 2.254 . 0 0 "[ ]" 2
69 1 66 LYS QE 1 66 LYS QG 1.800 . 2.205 1.924 1.924 1.924 . 0 0 "[ ]" 2
70 1 5 GLU H 1 5 GLU HB2 2.330 . 3.009 2.417 2.417 2.417 . 0 0 "[ ]" 2
71 1 75 ASP HB3 1 76 LYS H 2.996 . 4.118 3.646 3.646 3.646 . 0 0 "[ ]" 2
72 1 16 LEU MD2 1 53 ILE QG 1.738 . 2.116 1.775 1.775 1.775 . 0 0 "[ ]" 2
73 1 47 GLU HG2 1 50 GLY H 2.992 . 4.111 3.882 3.882 3.882 . 0 0 "[ ]" 2
74 1 8 LYS QB 1 8 LYS QG 1.854 . 2.284 1.753 1.753 1.753 . 0 0 "[ ]" 2
75 1 8 LYS QB 1 8 LYS QG 1.875 . 2.314 1.697 1.697 1.697 . 0 0 "[ ]" 2
76 1 76 LYS QD 1 76 LYS QG 1.881 . 2.323 1.826 1.826 1.826 . 0 0 "[ ]" 2
77 1 28 LEU HB2 1 28 LEU QD 1.688 . 2.044 1.797 1.797 1.797 . 0 0 "[ ]" 2
78 1 20 ALA HA 1 89 LEU QD 1.877 . 2.317 1.825 1.825 1.825 . 0 0 "[ ]" 2
79 1 12 VAL H 1 49 GLU QG 2.871 . 3.901 3.112 3.112 3.112 . 0 0 "[ ]" 2
80 1 16 LEU MD1 1 16 LEU MD2 1.764 . 2.153 1.848 1.848 1.848 . 0 0 "[ ]" 2
81 1 46 LYS QB 1 47 GLU H 2.675 . 3.569 2.842 2.842 2.842 . 0 0 "[ ]" 2
82 1 43 LEU QB 1 55 LEU QD 1.839 . 2.262 1.778 1.778 1.778 . 0 0 "[ ]" 2
83 1 8 LYS QB 1 10 ASN H 2.980 . 4.090 3.862 3.862 3.862 . 0 0 "[ ]" 2
84 1 8 LYS H 1 8 LYS QB 2.041 . 2.562 2.149 2.149 2.149 . 0 0 "[ ]" 2
85 1 28 LEU H 1 28 LEU HB2 2.410 . 3.136 2.071 2.071 2.071 . 0 0 "[ ]" 2
86 1 47 GLU HA 1 48 ALA MB 2.599 . 3.443 3.207 3.207 3.207 . 0 0 "[ ]" 2
87 1 24 GLU QG 1 89 LEU QD 2.560 . 3.379 3.239 3.239 3.239 . 0 0 "[ ]" 2
88 1 93 ILE HB 1 116 LYS H 2.701 . 3.613 2.684 2.684 2.684 . 0 0 "[ ]" 2
89 1 89 LEU QD 1 89 LEU HG 1.684 . 2.039 1.769 1.769 1.769 . 0 0 "[ ]" 2
90 1 93 ILE H 1 93 ILE HB 2.716 . 3.638 2.702 2.702 2.702 . 0 0 "[ ]" 2
91 1 18 GLU HG2 1 43 LEU QD 2.483 . 3.254 2.821 2.821 2.821 . 0 0 "[ ]" 2
92 1 54 ARG QB 1 55 LEU H 2.935 . 4.012 2.274 2.274 2.274 . 0 0 "[ ]" 2
93 1 66 LYS HB2 1 67 PHE H 2.916 . 3.979 3.921 3.921 3.921 . 0 0 "[ ]" 2
94 1 76 LYS QB 1 77 ASP H 2.656 . 3.538 3.142 3.142 3.142 . 0 0 "[ ]" 2
95 1 72 VAL QG 1 82 ILE HG13 2.468 . 3.229 2.948 2.948 2.948 . 0 0 "[ ]" 2
96 1 93 ILE QG 1 116 LYS H 2.918 . 3.982 3.781 3.781 3.781 . 0 0 "[ ]" 2
97 1 116 LYS QG 1 117 LEU H 2.311 . 2.979 2.152 2.152 2.152 . 0 0 "[ ]" 2
98 1 119 LYS H 1 119 LYS HB3 2.551 . 3.364 3.502 3.502 3.502 0.138 1 0 "[ ]" 2
99 1 17 LEU H 1 17 LEU HB3 2.357 . 3.052 3.169 3.169 3.169 0.117 1 0 "[ ]" 2
100 1 53 ILE H 1 53 ILE HB 2.233 . 2.857 2.437 2.437 2.437 . 0 0 "[ ]" 2
101 1 53 ILE QG 1 71 ALA H 2.928 . 4.000 3.782 3.782 3.782 . 0 0 "[ ]" 2
102 1 117 LEU HB3 1 118 PHE H 2.878 . 3.913 3.955 3.955 3.955 0.042 1 0 "[ ]" 2
103 1 23 MET QB 1 89 LEU H 3.101 . 4.303 3.720 3.720 3.720 . 0 0 "[ ]" 2
104 1 82 ILE HG13 1 96 LYS H 2.918 . 3.982 2.721 2.721 2.721 . 0 0 "[ ]" 2
105 1 12 VAL HA 1 12 VAL MG2 2.030 . 2.545 2.571 2.571 2.571 0.026 1 0 "[ ]" 2
106 1 12 VAL MG2 1 53 ILE QG 2.194 . 2.796 2.605 2.605 2.605 . 0 0 "[ ]" 2
107 1 72 VAL QG 1 98 ALA MB 2.255 . 2.891 2.678 2.678 2.678 . 0 0 "[ ]" 2
108 1 15 ALA MB 1 45 ILE MD 1.826 . 2.243 1.876 1.876 1.876 . 0 0 "[ ]" 2
109 1 17 LEU QD 1 20 ALA H 2.565 . 3.387 3.423 3.423 3.423 0.036 1 0 "[ ]" 2
110 1 17 LEU H 1 17 LEU QD 2.551 . 3.365 2.893 2.893 2.893 . 0 0 "[ ]" 2
111 1 17 LEU QD 1 18 GLU H 2.758 . 3.709 3.366 3.366 3.366 . 0 0 "[ ]" 2
112 1 53 ILE HB 1 53 ILE MG 1.718 . 2.087 1.755 1.755 1.755 . 0 0 "[ ]" 2
113 1 53 ILE MG 1 55 LEU QD 1.909 . 2.365 2.147 2.147 2.147 . 0 0 "[ ]" 2
114 1 20 ALA HA 1 23 MET ME 2.154 . 2.734 2.001 2.001 2.001 . 0 0 "[ ]" 2
115 1 72 VAL QG 1 101 CYS H 2.849 . 3.864 3.803 3.803 3.803 . 0 0 "[ ]" 2
116 1 84 LYS H 1 84 LYS QG 3.092 . 4.287 3.958 3.958 3.958 . 0 0 "[ ]" 2
117 1 74 ILE MG 1 106 ASP H 2.759 . 3.710 2.110 2.110 2.110 . 0 0 "[ ]" 2
118 1 74 ILE MD 1 105 LEU H 2.600 . 3.445 3.538 3.538 3.538 0.093 1 0 "[ ]" 2
119 1 17 LEU HA 1 20 ALA MB 1.796 . 2.199 1.814 1.814 1.814 . 0 0 "[ ]" 2
120 1 17 LEU QD 1 20 ALA MB 1.738 . 2.115 1.657 1.657 1.657 . 0 0 "[ ]" 2
121 1 8 LYS HA 1 11 ALA MB 1.701 . 2.062 2.036 2.036 2.036 . 0 0 "[ ]" 2
122 1 7 ALA MB 1 10 ASN HB2 2.521 . 3.316 3.233 3.233 3.233 . 0 0 "[ ]" 2
123 1 11 ALA MB 1 49 GLU QG 1.970 . 2.455 2.294 2.294 2.294 . 0 0 "[ ]" 2
124 1 7 ALA HA 1 7 ALA MB 1.651 . 1.992 1.891 1.891 1.891 . 0 0 "[ ]" 2
125 1 11 ALA MB 1 12 VAL HA 2.458 . 3.213 3.437 3.437 3.437 0.224 1 0 "[ ]" 2
126 1 7 ALA MB 1 8 LYS QE 2.480 . 3.249 2.427 2.427 2.427 . 0 0 "[ ]" 2
127 1 6 LYS QB 1 7 ALA MB 2.004 . 2.506 2.611 2.611 2.611 0.105 1 0 "[ ]" 2
128 1 18 GLU QB 1 45 ILE MG 2.555 . 3.371 4.001 4.001 4.001 0.630 1 1 [+] 2
129 1 15 ALA MB 1 45 ILE MG 1.794 . 2.196 2.020 2.020 2.020 . 0 0 "[ ]" 2
130 1 15 ALA HA 1 45 ILE MG 2.022 . 2.533 2.185 2.185 2.185 . 0 0 "[ ]" 2
131 1 45 ILE HB 1 45 ILE MG 1.757 . 2.143 1.892 1.892 1.892 . 0 0 "[ ]" 2
132 1 43 LEU QD 1 55 LEU H 2.762 . 3.716 4.503 4.503 4.503 0.787 1 1 [+] 2
133 1 16 LEU H 1 16 LEU MD1 2.628 . 3.491 3.605 3.605 3.605 0.114 1 0 "[ ]" 2
134 1 43 LEU QD 1 45 ILE H 2.889 . 3.933 3.248 3.248 3.248 . 0 0 "[ ]" 2
135 1 9 ILE QG 1 10 ASN H 3.076 . 4.258 3.876 3.876 3.876 . 0 0 "[ ]" 2
136 1 74 ILE MG 1 107 TYR HB2 2.231 . 2.853 2.054 2.054 2.054 . 0 0 "[ ]" 2
137 1 9 ILE QG 1 93 ILE MG 1.990 . 2.485 1.849 1.849 1.849 . 0 0 "[ ]" 2
138 1 12 VAL QG 1 15 ALA H 3.125 . 4.346 4.063 4.063 4.063 . 0 0 "[ ]" 2
139 1 9 ILE QG 1 9 ILE MG 1.902 . 2.354 2.035 2.035 2.035 . 0 0 "[ ]" 2
140 1 9 ILE HA 1 12 VAL H 2.711 . 3.630 3.623 3.623 3.623 . 0 0 "[ ]" 2
141 1 6 LYS H 1 8 LYS H 2.879 . 3.915 3.817 3.817 3.817 . 0 0 "[ ]" 2
142 1 12 VAL HB 1 13 ARG H 2.805 . 3.789 3.894 3.894 3.894 0.105 1 0 "[ ]" 2
143 1 7 ALA MB 1 8 LYS H 2.108 . 2.663 2.040 2.040 2.040 . 0 0 "[ ]" 2
144 1 82 ILE MD 1 96 LYS QB 2.471 . 3.234 3.836 3.836 3.836 0.602 1 1 [+] 2
145 1 12 VAL QG 1 83 ILE MD 1.929 . 2.394 1.646 1.646 1.646 . 0 0 "[ ]" 2
146 1 53 ILE HB 1 53 ILE MD 1.855 . 2.285 1.810 1.810 1.810 . 0 0 "[ ]" 2
147 1 12 VAL HA 1 53 ILE MD 2.577 . 3.407 3.402 3.402 3.402 . 0 0 "[ ]" 2
148 1 93 ILE MD 1 116 LYS QE 2.582 . 3.415 3.456 3.456 3.456 0.041 1 0 "[ ]" 2
149 1 18 GLU QG 1 45 ILE MD 2.110 . 2.666 1.772 1.772 1.772 . 0 0 "[ ]" 2
150 1 15 ALA MB 1 45 ILE MD 1.801 . 2.206 1.739 1.739 1.739 . 0 0 "[ ]" 2
151 1 93 ILE HB 1 93 ILE MD 2.257 . 2.894 3.146 3.146 3.146 0.252 1 0 "[ ]" 2
152 1 22 PHE QD 1 25 LYS QB 2.575 . 3.404 2.202 2.202 2.202 . 0 0 "[ ]" 2
153 1 81 PHE QB 1 81 PHE QD 2.208 . 2.817 2.040 2.040 2.040 . 0 0 "[ ]" 2
154 1 81 PHE QB 1 81 PHE QD 2.227 . 2.847 1.943 1.943 1.943 . 0 0 "[ ]" 2
155 1 80 PRO QG 1 81 PHE QD 2.481 . 3.251 2.035 2.035 2.035 . 0 0 "[ ]" 2
156 1 81 PHE QD 1 82 ILE HA 2.555 . 3.371 2.356 2.356 2.356 . 0 0 "[ ]" 2
157 1 8 LYS QG 1 51 PHE QD 2.315 . 2.985 2.750 2.750 2.750 . 0 0 "[ ]" 2
158 1 9 ILE QG 1 81 PHE QD 2.241 . 2.869 2.542 2.542 2.542 . 0 0 "[ ]" 2
159 1 8 LYS QD 1 51 PHE QD 2.471 . 3.234 3.056 3.056 3.056 . 0 0 "[ ]" 2
160 1 12 VAL QG 1 51 PHE QD 2.279 . 2.928 2.408 2.408 2.408 . 0 0 "[ ]" 2
161 1 4 PHE QB 1 4 PHE QD 2.221 . 2.838 1.914 1.914 1.914 . 0 0 "[ ]" 2
162 1 4 PHE QD 1 8 LYS QD 2.629 . 3.493 2.192 2.192 2.192 . 0 0 "[ ]" 2
163 1 67 PHE QB 1 67 PHE QD 2.244 . 2.873 1.904 1.904 1.904 . 0 0 "[ ]" 2
164 1 8 LYS QG 1 51 PHE HZ 2.639 . 3.510 2.407 2.407 2.407 . 0 0 "[ ]" 2
165 1 80 PRO QG 1 81 PHE QE 2.560 . 3.379 3.229 3.229 3.229 . 0 0 "[ ]" 2
166 1 4 PHE QD 1 7 ALA MB 2.309 . 2.976 2.638 2.638 2.638 . 0 0 "[ ]" 2
167 1 4 PHE QD 1 8 LYS QB 2.595 . 3.437 2.823 2.823 2.823 . 0 0 "[ ]" 2
168 1 51 PHE QE 1 83 ILE MD 2.261 . 2.900 2.025 2.025 2.025 . 0 0 "[ ]" 2
169 1 53 ILE HA 1 53 ILE HB 2.441 . 3.186 2.209 2.209 2.209 . 0 0 "[ ]" 2
170 1 83 ILE HA 1 83 ILE MD 2.487 . 3.260 2.865 2.865 2.865 . 0 0 "[ ]" 2
171 1 4 PHE HA 1 4 PHE HB2 1.935 . 2.403 2.133 2.133 2.133 . 0 0 "[ ]" 2
172 1 18 GLU HA 1 18 GLU QG 2.149 . 2.726 2.655 2.655 2.655 . 0 0 "[ ]" 2
173 1 83 ILE HA 1 83 ILE QG 2.488 . 3.262 2.395 2.395 2.395 . 0 0 "[ ]" 2
174 1 3 GLU HA 1 3 GLU QG 2.100 . 2.651 2.551 2.551 2.551 . 0 0 "[ ]" 2
175 1 3 GLU HA 1 3 GLU QB 1.671 . 2.020 2.032 2.032 2.032 0.012 1 0 "[ ]" 2
176 1 84 LYS QB 1 93 ILE HA 2.476 . 3.242 3.108 3.108 3.108 . 0 0 "[ ]" 2
177 1 21 HIS HA 1 24 GLU HB2 2.494 . 3.271 2.199 2.199 2.199 . 0 0 "[ ]" 2
178 1 65 SER HA 1 65 SER HB3 2.131 . 2.698 2.343 2.343 2.343 . 0 0 "[ ]" 2
179 1 65 SER HA 1 65 SER HB2 2.092 . 2.639 2.290 2.290 2.290 . 0 0 "[ ]" 2
180 1 8 LYS HA 1 8 LYS QG 1.994 . 2.491 2.393 2.393 2.393 . 0 0 "[ ]" 2
181 1 16 LEU HA 1 18 GLU QB 2.513 . 3.302 3.278 3.278 3.278 . 0 0 "[ ]" 2
182 1 16 LEU HA 1 19 ASN HB3 2.589 . 3.427 3.374 3.374 3.374 . 0 0 "[ ]" 2
183 1 16 LEU HA 1 16 LEU MD2 1.909 . 2.365 2.295 2.295 2.295 . 0 0 "[ ]" 2
184 1 21 HIS HA 1 21 HIS QB 2.243 . 2.872 2.333 2.333 2.333 . 0 0 "[ ]" 2
185 1 8 LYS HA 1 8 LYS QD 1.809 . 2.218 2.324 2.324 2.324 0.106 1 0 "[ ]" 2
186 1 17 LEU HA 1 17 LEU HB2 1.970 . 2.455 2.183 2.183 2.183 . 0 0 "[ ]" 2
187 1 17 LEU HA 1 20 ALA MB 1.758 . 2.144 1.910 1.910 1.910 . 0 0 "[ ]" 2
188 1 76 LYS HA 1 76 LYS QG 2.078 . 2.618 2.243 2.243 2.243 . 0 0 "[ ]" 2
189 1 46 LYS HA 1 46 LYS QE 2.561 . 3.381 3.759 3.759 3.759 0.378 1 0 "[ ]" 2
190 1 46 LYS HA 1 46 LYS QB 2.197 . 2.800 2.137 2.137 2.137 . 0 0 "[ ]" 2
191 1 46 LYS HA 1 46 LYS QB 2.252 . 2.886 2.368 2.368 2.368 . 0 0 "[ ]" 2
192 1 51 PHE HA 1 51 PHE HB2 2.398 . 3.117 2.353 2.353 2.353 . 0 0 "[ ]" 2
193 1 47 GLU HA 1 74 ILE MD 2.199 . 2.804 2.464 2.464 2.464 . 0 0 "[ ]" 2
194 1 10 ASN HA 1 10 ASN HB2 1.947 . 2.421 2.050 2.050 2.050 . 0 0 "[ ]" 2
195 1 49 GLU HA 1 49 GLU QG 2.151 . 2.729 2.639 2.639 2.639 . 0 0 "[ ]" 2
196 1 47 GLU HA 1 53 ILE HB 2.495 . 3.273 3.121 3.121 3.121 . 0 0 "[ ]" 2
197 1 81 PHE HA 1 81 PHE QB 2.165 . 2.751 2.052 2.052 2.052 . 0 0 "[ ]" 2
198 1 81 PHE HA 1 81 PHE QB 2.219 . 2.835 2.126 2.126 2.126 . 0 0 "[ ]" 2
199 1 39 LYS HA 1 39 LYS QE 2.469 . 3.231 3.270 3.270 3.270 0.039 1 0 "[ ]" 2
200 1 39 LYS HA 1 39 LYS QB 1.798 . 2.202 1.766 1.766 1.766 . 0 0 "[ ]" 2
201 1 39 LYS HA 1 39 LYS QG 1.948 . 2.422 2.295 2.295 2.295 . 0 0 "[ ]" 2
202 1 19 ASN HA 1 19 ASN HB3 2.380 . 3.088 2.150 2.150 2.150 . 0 0 "[ ]" 2
203 1 7 ALA HA 1 10 ASN HB3 2.341 . 3.026 2.136 2.136 2.136 . 0 0 "[ ]" 2
204 1 95 LYS QE 1 114 ASP HA 1.974 . 2.461 2.386 2.386 2.386 . 0 0 "[ ]" 2
205 1 15 ALA HA 1 45 ILE MD 2.181 . 2.776 2.599 2.599 2.599 . 0 0 "[ ]" 2
206 1 54 ARG HA 1 54 ARG QB 2.366 . 3.066 2.155 2.155 2.155 . 0 0 "[ ]" 2
207 1 54 ARG HA 1 54 ARG QG 2.504 . 3.288 2.435 2.435 2.435 . 0 0 "[ ]" 2
208 1 68 MET HA 1 68 MET QB 2.601 . 3.447 2.179 2.179 2.179 . 0 0 "[ ]" 2
209 1 88 ASN HA 1 89 LEU QD 2.455 . 3.208 3.804 3.804 3.804 0.596 1 1 [+] 2
210 1 44 PRO HD3 1 44 PRO HG3 2.419 . 3.151 1.972 1.972 1.972 . 0 0 "[ ]" 2
211 1 44 PRO HD2 1 44 PRO HG3 2.357 . 3.051 2.131 2.131 2.131 . 0 0 "[ ]" 2
212 1 16 LEU MD1 1 71 ALA HA 2.559 . 3.378 3.846 3.846 3.846 0.468 1 0 "[ ]" 2
213 1 74 ILE MD 1 105 LEU QB 2.238 . 2.864 2.048 2.048 2.048 . 0 0 "[ ]" 2
214 1 84 LYS QE 1 96 LYS QB 2.640 . 3.511 5.715 5.715 5.715 2.204 1 1 [+] 2
215 1 14 ALA HA 1 17 LEU HB3 2.257 . 2.894 2.873 2.873 2.873 . 0 0 "[ ]" 2
216 1 116 LYS QB 1 116 LYS HE3 1.641 . 1.978 2.075 2.075 2.075 0.097 1 0 "[ ]" 2
217 1 39 LYS QD 1 39 LYS QE 1.496 . 1.776 1.570 1.570 1.570 . 0 0 "[ ]" 2
218 1 72 VAL QG 1 109 LYS QE 2.138 . 2.709 2.703 2.703 2.703 . 0 0 "[ ]" 2
219 1 39 LYS QE 1 39 LYS QG 1.677 . 2.029 1.692 1.692 1.692 . 0 0 "[ ]" 2
220 1 6 LYS QB 1 6 LYS QE 2.493 . 3.270 2.067 2.067 2.067 . 0 0 "[ ]" 2
221 1 76 LYS QD 1 76 LYS QE 1.909 . 2.364 1.865 1.865 1.865 . 0 0 "[ ]" 2
222 1 6 LYS QE 1 6 LYS HG3 2.272 . 2.917 2.139 2.139 2.139 . 0 0 "[ ]" 2
223 1 76 LYS QE 1 76 LYS QG 1.999 . 2.499 1.958 1.958 1.958 . 0 0 "[ ]" 2
224 1 17 LEU HB2 1 17 LEU QD 2.044 . 2.566 1.966 1.966 1.966 . 0 0 "[ ]" 2
225 1 28 LEU HB3 1 28 LEU QD 1.886 . 2.331 2.098 2.098 2.098 . 0 0 "[ ]" 2
226 1 17 LEU HB3 1 17 LEU QD 2.005 . 2.507 2.095 2.095 2.095 . 0 0 "[ ]" 2
227 1 79 ASN HA 1 79 ASN HB2 2.535 . 3.338 2.954 2.954 2.954 . 0 0 "[ ]" 2
228 1 73 ALA MB 1 79 ASN HB3 2.114 . 2.672 1.792 1.792 1.792 . 0 0 "[ ]" 2
229 1 25 LYS HA 1 28 LEU HB2 2.111 . 2.668 2.522 2.522 2.522 . 0 0 "[ ]" 2
230 1 77 ASP HA 1 77 ASP QB 2.245 . 2.875 2.136 2.136 2.136 . 0 0 "[ ]" 2
231 1 53 ILE HB 1 53 ILE MD 1.926 . 2.389 2.051 2.051 2.051 . 0 0 "[ ]" 2
232 1 12 VAL QG 1 51 PHE HB3 2.605 . 3.454 2.745 2.745 2.745 . 0 0 "[ ]" 2
233 1 81 PHE QB 1 81 PHE QD 2.405 . 3.128 2.040 2.040 2.040 . 0 0 "[ ]" 2
234 1 81 PHE QB 1 93 ILE MG 2.389 . 3.103 1.661 1.661 1.661 0.014 1 0 "[ ]" 2
235 1 16 LEU MD1 1 19 ASN HB2 2.565 . 3.387 2.403 2.403 2.403 . 0 0 "[ ]" 2
236 1 4 PHE QB 1 7 ALA MB 2.743 . 3.684 4.418 4.418 4.418 0.734 1 1 [+] 2
237 1 4 PHE HA 1 4 PHE QB 2.484 . 3.256 2.294 2.294 2.294 . 0 0 "[ ]" 2
238 1 7 ALA MB 1 10 ASN HB3 2.647 . 3.523 3.581 3.581 3.581 0.058 1 0 "[ ]" 2
239 1 4 PHE QB 1 5 GLU QG 2.691 . 3.596 3.321 3.321 3.321 . 0 0 "[ ]" 2
240 1 39 LYS QE 1 41 PRO QB 2.659 . 3.543 4.727 4.727 4.727 1.184 1 1 [+] 2
241 1 20 ALA HA 1 85 MET QG 2.817 . 3.809 3.615 3.615 3.615 . 0 0 "[ ]" 2
242 1 44 PRO QB 1 44 PRO HD2 2.682 . 3.581 2.866 2.866 2.866 . 0 0 "[ ]" 2
243 1 4 PHE QD 1 8 LYS QB 2.737 . 3.673 2.836 2.836 2.836 . 0 0 "[ ]" 2
244 1 17 LEU QD 1 85 MET QG 2.741 . 3.680 3.554 3.554 3.554 . 0 0 "[ ]" 2
245 1 76 LYS HA 1 76 LYS QD 2.663 . 3.550 2.191 2.191 2.191 . 0 0 "[ ]" 2
246 1 21 HIS HA 1 21 HIS HB2 2.648 . 3.524 2.681 2.681 2.681 . 0 0 "[ ]" 2
247 1 15 ALA MB 1 18 GLU QB 2.803 . 3.785 2.952 2.952 2.952 . 0 0 "[ ]" 2
248 1 95 LYS QD 1 114 ASP QB 2.734 . 3.668 1.799 1.799 1.799 0.001 1 0 "[ ]" 2
249 1 109 LYS HA 1 109 LYS QD 2.743 . 3.684 3.738 3.738 3.738 0.054 1 0 "[ ]" 2
250 1 89 LEU HB2 1 89 LEU HG 1.906 . 2.360 2.206 2.206 2.206 . 0 0 "[ ]" 2
251 1 17 LEU HB2 1 17 LEU HG 1.992 . 2.488 2.358 2.358 2.358 . 0 0 "[ ]" 2
252 1 28 LEU HB3 1 28 LEU HG 2.454 . 3.207 2.269 2.269 2.269 . 0 0 "[ ]" 2
253 1 16 LEU MD2 1 53 ILE HA 2.723 . 3.650 2.494 2.494 2.494 . 0 0 "[ ]" 2
254 1 46 LYS HA 1 55 LEU QD 2.655 . 3.536 2.058 2.058 2.058 . 0 0 "[ ]" 2
255 1 18 GLU QB 1 55 LEU QD 2.788 . 3.759 5.798 5.798 5.798 2.039 1 1 [+] 2
256 1 117 LEU HB2 1 117 LEU MD1 2.125 . 2.689 2.243 2.243 2.243 . 0 0 "[ ]" 2
257 1 43 LEU QD 1 45 ILE MD 2.131 . 2.698 1.788 1.788 1.788 . 0 0 "[ ]" 2
258 1 90 VAL QG 1 119 LYS HB2 2.648 . 3.525 3.110 3.110 3.110 . 0 0 "[ ]" 2
259 1 13 ARG QB 1 91 THR MG 2.603 . 3.450 2.962 2.962 2.962 . 0 0 "[ ]" 2
260 1 82 ILE MG 1 84 LYS QE 2.709 . 3.627 3.135 3.135 3.135 . 0 0 "[ ]" 2
261 1 82 ILE HG13 1 82 ILE MG 2.468 . 3.229 3.052 3.052 3.052 . 0 0 "[ ]" 2
262 1 4 PHE QD 1 7 ALA MB 2.795 . 3.771 2.805 2.805 2.805 . 0 0 "[ ]" 2
263 1 9 ILE MG 1 10 ASN HB2 2.765 . 3.720 3.597 3.597 3.597 . 0 0 "[ ]" 2
264 1 15 ALA HA 1 53 ILE MD 2.690 . 3.594 4.290 4.290 4.290 0.696 1 1 [+] 2
265 1 39 LYS QB 1 59 ALA MB 2.716 . 3.638 5.313 5.313 5.313 1.675 1 1 [+] 2
266 1 47 GLU QB 1 53 ILE MD 2.793 . 3.768 4.136 4.136 4.136 0.368 1 0 "[ ]" 2
267 1 13 ARG QB 1 93 ILE MD 2.823 . 3.819 4.210 4.210 4.210 0.391 1 0 "[ ]" 2
268 1 43 LEU QB 1 44 PRO HA 2.721 . 3.647 3.734 3.734 3.734 0.087 1 0 "[ ]" 2
269 1 51 PHE HZ 1 83 ILE MD 2.751 . 3.697 2.711 2.711 2.711 . 0 0 "[ ]" 2
270 1 51 PHE HB2 1 51 PHE QE 2.821 . 3.816 3.532 3.532 3.532 . 0 0 "[ ]" 2
271 1 51 PHE QE 1 71 ALA MB 2.760 . 3.712 3.794 3.794 3.794 0.082 1 0 "[ ]" 2
272 1 5 GLU QG 1 81 PHE QD 2.691 . 3.597 3.062 3.062 3.062 . 0 0 "[ ]" 2
273 1 8 LYS HA 1 51 PHE QE 2.822 . 3.817 3.778 3.778 3.778 . 0 0 "[ ]" 2
274 1 51 PHE QD 1 79 ASN HB3 2.879 . 3.915 3.455 3.455 3.455 . 0 0 "[ ]" 2
275 1 51 PHE HA 1 51 PHE QE 2.919 . 3.984 3.993 3.993 3.993 0.009 1 0 "[ ]" 2
276 1 50 GLY HA3 1 51 PHE QD 2.860 . 3.882 2.753 2.753 2.753 . 0 0 "[ ]" 2
277 1 51 PHE HZ 1 73 ALA MB 2.911 . 3.970 2.075 2.075 2.075 . 0 0 "[ ]" 2
278 1 4 PHE QE 1 76 LYS HA 2.927 . 3.998 5.446 5.446 5.446 1.448 1 1 [+] 2
279 1 72 VAL QG 1 99 SER HA 2.946 . 4.031 3.513 3.513 3.513 . 0 0 "[ ]" 2
280 1 21 HIS HA 1 24 GLU QG 2.860 . 3.882 3.165 3.165 3.165 . 0 0 "[ ]" 2
281 1 82 ILE HG12 1 93 ILE HA 2.821 . 3.816 3.106 3.106 3.106 . 0 0 "[ ]" 2
282 1 90 VAL QG 1 118 PHE HA 2.698 . 3.608 3.953 3.953 3.953 0.345 1 0 "[ ]" 2
283 1 42 SER HA 1 43 LEU QB 2.691 . 3.596 4.339 4.339 4.339 0.743 1 1 [+] 2
284 1 19 ASN HA 1 55 LEU QD 2.577 . 3.407 2.008 2.008 2.008 . 0 0 "[ ]" 2
285 1 28 LEU HA 1 28 LEU HB2 2.231 . 2.853 2.695 2.695 2.695 . 0 0 "[ ]" 2
286 1 77 ASP HA 1 77 ASP QB 2.253 . 2.887 2.022 2.022 2.022 . 0 0 "[ ]" 2
287 1 20 ALA HA 1 23 MET QB 2.505 . 3.290 2.175 2.175 2.175 . 0 0 "[ ]" 2
288 1 90 VAL QG 1 117 LEU HA 2.796 . 3.773 3.685 3.685 3.685 . 0 0 "[ ]" 2
289 1 81 PHE QB 1 115 CYS HA 2.679 . 3.576 2.945 2.945 2.945 . 0 0 "[ ]" 2
290 1 18 GLU HA 1 19 ASN HA 2.779 . 3.745 3.796 3.796 3.796 0.051 1 0 "[ ]" 2
291 1 16 LEU MD1 1 84 LYS HA 2.853 . 3.871 3.424 3.424 3.424 . 0 0 "[ ]" 2
292 1 17 LEU HB3 1 21 HIS HD2 2.859 . 3.881 2.746 2.746 2.746 . 0 0 "[ ]" 2
293 1 53 ILE QG 1 71 ALA HA 2.720 . 3.645 3.126 3.126 3.126 . 0 0 "[ ]" 2
294 1 38 THR HA 1 66 LYS QE 2.732 . 3.665 3.757 3.757 3.757 0.092 1 0 "[ ]" 2
295 1 27 TYR QD 1 66 LYS QE 2.681 . 3.580 3.297 3.297 3.297 . 0 0 "[ ]" 2
296 1 66 LYS QE 1 87 GLU QG 2.003 . 2.504 5.315 5.315 5.315 2.811 1 1 [+] 2
297 1 67 PHE QB 1 67 PHE QD 2.495 . 3.273 1.904 1.904 1.904 . 0 0 "[ ]" 2
298 1 67 PHE HA 1 67 PHE QB 2.875 . 3.908 2.333 2.333 2.333 . 0 0 "[ ]" 2
299 1 67 PHE HA 1 67 PHE QB 2.874 . 3.906 2.151 2.151 2.151 . 0 0 "[ ]" 2
300 1 9 ILE QG 1 81 PHE QB 2.730 . 3.661 1.746 1.746 1.746 0.053 1 0 "[ ]" 2
301 1 80 PRO QB 1 81 PHE QB 2.833 . 3.836 3.921 3.921 3.921 0.085 1 0 "[ ]" 2
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