NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473437 |
2i8f   |
7296 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i8f
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 1157
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 23.232
_Distance_constraint_stats_list.Viol_max 1.432
_Distance_constraint_stats_list.Viol_rms 0.1059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0201
_Distance_constraint_stats_list.Viol_average_violations_only 0.3319
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 1.491 0.797 1 1 [+]
1 2 ASP 0.960 0.355 1 0 "[ ]"
1 3 GLY 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.420 0.420 1 0 "[ ]"
1 5 ALA 0.627 0.355 1 0 "[ ]"
1 6 LEU 0.855 0.271 1 0 "[ ]"
1 7 PHE 1.069 0.797 1 1 [+]
1 8 LYS 0.104 0.104 1 0 "[ ]"
1 9 SER 0.154 0.154 1 0 "[ ]"
1 10 LYS 1.697 0.964 1 1 [+]
1 11 PRO 0.591 0.347 1 0 "[ ]"
1 12 CYS 0.082 0.082 1 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 ALA 0.000 0.000 . 0 "[ ]"
1 15 CYS 0.000 0.000 . 0 "[ ]"
1 16 HIS 1.043 0.731 1 1 [+]
1 17 SER 0.499 0.499 1 0 "[ ]"
1 18 VAL 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 THR 1.432 1.432 1 1 [+]
1 21 LYS 0.831 0.550 1 1 [+]
1 22 MET 1.230 0.731 1 1 [+]
1 23 VAL 0.986 0.508 1 1 [+]
1 24 GLY 1.056 0.477 1 0 "[ ]"
1 25 PRO 1.287 1.237 1 1 [+]
1 26 ALA 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 28 LYS 1.818 1.432 1 1 [+]
1 29 GLU 0.936 0.550 1 1 [+]
1 30 VAL 0.707 0.707 1 1 [+]
1 31 ALA 0.221 0.221 1 0 "[ ]"
1 32 ALA 0.221 0.221 1 0 "[ ]"
1 33 LYS 0.493 0.493 1 0 "[ ]"
1 34 ASN 0.965 0.493 1 0 "[ ]"
1 35 ALA 0.000 0.000 . 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 VAL 0.603 0.386 1 0 "[ ]"
1 38 GLU 0.000 0.000 . 0 "[ ]"
1 39 GLY 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.808 0.493 1 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 ASP 0.021 0.021 1 0 "[ ]"
1 43 THR 0.215 0.129 1 0 "[ ]"
1 44 LEU 0.515 0.386 1 0 "[ ]"
1 45 ALA 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.268 0.140 1 0 "[ ]"
1 47 ALA 0.692 0.526 1 1 [+]
1 48 ILE 0.194 0.194 1 0 "[ ]"
1 49 LYS 0.187 0.140 1 0 "[ ]"
1 50 ASN 0.767 0.343 1 0 "[ ]"
1 51 GLY 0.349 0.243 1 0 "[ ]"
1 52 SER 0.886 0.526 1 1 [+]
1 53 GLN 0.818 0.566 1 1 [+]
1 54 GLY 0.490 0.490 1 0 "[ ]"
1 55 VAL 2.563 1.237 1 1 [+]
1 56 TRP 1.087 0.490 1 0 "[ ]"
1 57 GLY 0.490 0.490 1 0 "[ ]"
1 58 PRO 0.000 0.000 . 0 "[ ]"
1 59 ILE 0.600 0.333 1 0 "[ ]"
1 60 PRO 0.966 0.391 1 0 "[ ]"
1 61 MET 0.442 0.336 1 0 "[ ]"
1 62 PRO 0.391 0.391 1 0 "[ ]"
1 63 PRO 0.499 0.343 1 0 "[ ]"
1 64 ASN 0.382 0.194 1 0 "[ ]"
1 65 PRO 1.375 0.964 1 1 [+]
1 66 VAL 0.054 0.054 1 0 "[ ]"
1 67 THR 0.000 0.000 . 0 "[ ]"
1 68 GLU 0.046 0.046 1 0 "[ ]"
1 69 GLU 1.251 0.674 1 1 [+]
1 70 GLU 0.674 0.674 1 1 [+]
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.577 0.577 1 1 [+]
1 73 ILE 0.000 0.000 . 0 "[ ]"
1 74 LEU 0.373 0.318 1 0 "[ ]"
1 75 ALA 0.000 0.000 . 0 "[ ]"
1 76 GLU 0.103 0.103 1 0 "[ ]"
1 77 TRP 1.103 0.641 1 1 [+]
1 78 VAL 0.928 0.759 1 1 [+]
1 79 LEU 0.988 0.832 1 1 [+]
1 80 SER 0.376 0.376 1 0 "[ ]"
1 81 LEU 1.964 0.832 1 1 [+]
1 82 LYS 0.096 0.096 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 7 PHE QE 1 16 HIS HD1 4.333 2.080 6.586 4.342 4.342 4.342 . 0 0 "[ ]" 1
2 1 7 PHE HZ 1 16 HIS HD1 3.903 2.075 5.731 4.607 4.607 4.607 . 0 0 "[ ]" 1
3 1 39 GLY H 1 40 ALA H 2.502 . 3.253 2.528 2.528 2.528 . 0 0 "[ ]" 1
4 1 16 HIS HD1 1 27 LEU H 4.275 2.082 6.468 4.313 4.313 4.313 . 0 0 "[ ]" 1
5 1 48 ILE H 1 49 LYS H 2.335 . 2.989 2.245 2.245 2.245 . 0 0 "[ ]" 1
6 1 7 PHE QD 1 77 TRP HZ3 2.823 . 3.779 3.074 3.074 3.074 . 0 0 "[ ]" 1
7 1 11 PRO HA 1 12 CYS H 2.186 . 2.760 2.157 2.157 2.157 . 0 0 "[ ]" 1
8 1 38 GLU HA 1 39 GLY H 2.341 . 2.999 2.095 2.095 2.095 . 0 0 "[ ]" 1
9 1 71 ALA HA 1 74 LEU H 2.492 . 3.237 2.786 2.786 2.786 . 0 0 "[ ]" 1
10 1 52 SER HA 1 61 MET H 3.248 . 4.514 4.224 4.224 4.224 . 0 0 "[ ]" 1
11 1 44 LEU HA 1 45 ALA H 2.206 . 2.790 2.774 2.774 2.774 . 0 0 "[ ]" 1
12 1 75 ALA HA 1 76 GLU H 2.903 . 3.914 2.802 2.802 2.802 . 0 0 "[ ]" 1
13 1 45 ALA H 1 45 ALA HA 2.200 . 2.781 2.250 2.250 2.250 . 0 0 "[ ]" 1
14 1 68 GLU HA 1 71 ALA H 2.698 . 3.572 3.229 3.229 3.229 . 0 0 "[ ]" 1
15 1 9 SER H 1 9 SER HA 2.623 . 3.449 2.642 2.642 2.642 . 0 0 "[ ]" 1
16 1 39 GLY HA3 1 40 ALA H 2.255 . 2.865 2.390 2.390 2.390 . 0 0 "[ ]" 1
17 1 6 LEU H 1 6 LEU HA 2.398 . 3.088 2.572 2.572 2.572 . 0 0 "[ ]" 1
18 1 9 SER H 1 9 SER HB2 2.452 . 3.174 2.342 2.342 2.342 . 0 0 "[ ]" 1
19 1 39 GLY HA2 1 40 ALA H 2.566 . 3.356 3.214 3.214 3.214 . 0 0 "[ ]" 1
20 1 22 MET H 1 22 MET HA 2.632 . 3.463 2.544 2.544 2.544 . 0 0 "[ ]" 1
21 1 35 ALA H 1 79 LEU HA 4.073 2.083 6.063 5.502 5.502 5.502 . 0 0 "[ ]" 1
22 1 20 THR H 1 20 THR HB 2.485 . 3.226 2.677 2.677 2.677 . 0 0 "[ ]" 1
23 1 10 LYS QE 1 67 THR H 4.474 2.073 6.875 4.086 4.086 4.086 . 0 0 "[ ]" 1
24 1 74 LEU H 1 74 LEU HB2 2.248 . 2.854 2.219 2.219 2.219 . 0 0 "[ ]" 1
25 1 21 LYS QE 1 56 TRP HE3 3.598 2.044 5.152 2.881 2.881 2.881 . 0 0 "[ ]" 1
26 1 19 ASP H 1 19 ASP QB 2.254 . 2.864 2.186 2.186 2.186 . 0 0 "[ ]" 1
27 1 7 PHE QB 1 77 TRP HH2 3.103 . 4.259 3.467 3.467 3.467 . 0 0 "[ ]" 1
28 1 73 ILE HB 1 74 LEU H 2.305 . 2.943 2.580 2.580 2.580 . 0 0 "[ ]" 1
29 1 31 ALA MB 1 78 VAL H 3.586 2.043 5.129 4.470 4.470 4.470 . 0 0 "[ ]" 1
30 1 68 GLU QG 1 71 ALA H 4.335 2.080 6.590 4.360 4.360 4.360 . 0 0 "[ ]" 1
31 1 1 GLN HG2 1 2 ASP H 3.354 2.004 4.704 4.427 4.427 4.427 . 0 0 "[ ]" 1
32 1 21 LYS H 1 21 LYS HB2 2.186 . 2.759 2.074 2.074 2.074 . 0 0 "[ ]" 1
33 1 21 LYS HB3 1 26 ALA H 3.599 2.044 5.154 4.133 4.133 4.133 . 0 0 "[ ]" 1
34 1 79 LEU HB3 1 80 SER H 3.031 . 4.133 3.327 3.327 3.327 . 0 0 "[ ]" 1
35 1 8 LYS QB 1 9 SER H 2.591 . 3.397 2.747 2.747 2.747 . 0 0 "[ ]" 1
36 1 6 LEU H 1 6 LEU HG 2.137 . 2.685 2.272 2.272 2.272 . 0 0 "[ ]" 1
37 1 5 ALA MB 1 6 LEU H 2.222 . 2.815 2.127 2.127 2.127 . 0 0 "[ ]" 1
38 1 4 GLU QB 1 5 ALA H 2.371 . 3.046 2.119 2.119 2.119 . 0 0 "[ ]" 1
39 1 4 GLU H 1 4 GLU QB 2.147 . 2.700 2.127 2.127 2.127 . 0 0 "[ ]" 1
40 1 21 LYS HB2 1 22 MET H 3.096 . 4.246 3.627 3.627 3.627 . 0 0 "[ ]" 1
41 1 48 ILE HB 1 64 ASN QD 2.109 . 2.643 2.374 2.374 2.374 . 0 0 "[ ]" 1
42 1 35 ALA H 1 35 ALA MB 2.015 . 2.502 2.343 2.343 2.343 . 0 0 "[ ]" 1
43 1 74 LEU H 1 74 LEU MD2 3.275 . 4.562 3.489 3.489 3.489 . 0 0 "[ ]" 1
44 1 34 ASN HD22 1 37 VAL QG 3.670 2.054 5.286 3.736 3.736 3.736 . 0 0 "[ ]" 1
45 1 6 LEU QD 1 7 PHE H 3.963 2.078 5.848 4.314 4.314 4.314 . 0 0 "[ ]" 1
46 1 73 ILE MG 1 76 GLU H 3.724 2.060 5.388 4.009 4.009 4.009 . 0 0 "[ ]" 1
47 1 73 ILE MG 1 77 TRP H 3.859 2.072 5.646 3.892 3.892 3.892 . 0 0 "[ ]" 1
48 1 2 ASP H 1 6 LEU QD 5.692 . 9.579 3.884 3.884 3.884 . 0 0 "[ ]" 1
49 1 19 ASP H 1 28 LYS QG 3.862 2.072 5.652 3.275 3.275 3.275 . 0 0 "[ ]" 1
50 1 19 ASP H 1 20 THR HG1 3.335 . 4.670 3.249 3.249 3.249 . 0 0 "[ ]" 1
51 1 6 LEU H 1 6 LEU QD 2.956 . 4.004 3.530 3.530 3.530 . 0 0 "[ ]" 1
52 1 37 VAL H 1 79 LEU MD2 3.388 2.010 4.766 2.282 2.282 2.282 . 0 0 "[ ]" 1
53 1 30 VAL MG1 1 33 LYS H 4.276 2.082 6.470 4.489 4.489 4.489 . 0 0 "[ ]" 1
54 1 35 ALA H 1 79 LEU QD 3.667 2.054 5.280 4.118 4.118 4.118 . 0 0 "[ ]" 1
55 1 18 VAL MG2 1 20 THR H 3.279 . 4.569 3.529 3.529 3.529 . 0 0 "[ ]" 1
56 1 7 PHE QE 1 13 ALA MB 2.345 . 3.005 2.299 2.299 2.299 . 0 0 "[ ]" 1
57 1 7 PHE HZ 1 13 ALA MB 2.501 . 3.252 2.150 2.150 2.150 . 0 0 "[ ]" 1
58 1 16 HIS HD1 1 25 PRO HG2 3.194 . 4.418 3.304 3.304 3.304 . 0 0 "[ ]" 1
59 1 10 LYS HA 1 10 LYS QE 3.287 . 4.583 3.009 3.009 3.009 . 0 0 "[ ]" 1
60 1 63 PRO HB2 1 64 ASN HA 3.935 2.077 5.793 3.103 3.103 3.103 . 0 0 "[ ]" 1
61 1 60 PRO HA 1 60 PRO QG 2.761 . 3.676 3.186 3.186 3.186 . 0 0 "[ ]" 1
62 1 10 LYS HA 1 10 LYS QG 2.981 . 4.047 2.146 2.146 2.146 . 0 0 "[ ]" 1
63 1 10 LYS HA 1 10 LYS QD 3.225 . 4.473 3.832 3.832 3.832 . 0 0 "[ ]" 1
64 1 10 LYS HA 1 10 LYS QD 3.525 2.034 5.016 3.605 3.605 3.605 . 0 0 "[ ]" 1
65 1 11 PRO HA 1 14 ALA MB 3.862 2.072 5.652 3.456 3.456 3.456 . 0 0 "[ ]" 1
66 1 17 SER HA 1 17 SER HB3 2.198 . 2.778 2.510 2.510 2.510 . 0 0 "[ ]" 1
67 1 56 TRP HA 1 56 TRP HB3 3.507 2.031 4.983 2.472 2.472 2.472 . 0 0 "[ ]" 1
68 1 54 GLY HA2 1 56 TRP HA 3.506 2.031 4.981 5.471 5.471 5.471 0.490 1 0 "[ ]" 1
69 1 11 PRO HD3 1 65 PRO QD 3.069 . 4.200 4.022 4.022 4.022 . 0 0 "[ ]" 1
70 1 20 THR HA 1 20 THR HB 2.420 . 3.123 2.458 2.458 2.458 . 0 0 "[ ]" 1
71 1 44 LEU HA 1 47 ALA HA 4.083 2.082 6.084 4.044 4.044 4.044 . 0 0 "[ ]" 1
72 1 20 THR HB 1 28 LYS QE 3.151 . 4.343 3.609 3.609 3.609 . 0 0 "[ ]" 1
73 1 1 GLN HG2 1 2 ASP HA 3.339 2.001 4.677 5.010 5.010 5.010 0.333 1 0 "[ ]" 1
74 1 57 GLY HA2 1 58 PRO QB 3.305 . 4.616 4.233 4.233 4.233 . 0 0 "[ ]" 1
75 1 50 ASN HA 1 51 GLY HA3 3.189 . 4.410 4.263 4.263 4.263 . 0 0 "[ ]" 1
76 1 33 LYS HA 1 34 ASN HB3 3.084 . 4.225 4.718 4.718 4.718 0.493 1 0 "[ ]" 1
77 1 29 GLU HA 1 29 GLU QB 2.028 . 2.521 2.214 2.214 2.214 . 0 0 "[ ]" 1
78 1 33 LYS HA 1 33 LYS HB3 2.067 . 2.580 2.360 2.360 2.360 . 0 0 "[ ]" 1
79 1 58 PRO HD3 1 58 PRO HG3 2.182 . 2.753 2.145 2.145 2.145 . 0 0 "[ ]" 1
80 1 60 PRO HB2 1 60 PRO HD2 2.845 . 3.816 3.701 3.701 3.701 . 0 0 "[ ]" 1
81 1 1 GLN QB 1 2 ASP HA 3.492 2.029 4.955 3.733 3.733 3.733 . 0 0 "[ ]" 1
82 1 20 THR HA 1 21 LYS HB2 3.202 . 4.432 4.031 4.031 4.031 . 0 0 "[ ]" 1
83 1 6 LEU HA 1 10 LYS QD 3.014 . 4.104 3.454 3.454 3.454 . 0 0 "[ ]" 1
84 1 30 VAL HA 1 30 VAL MG1 1.750 . 2.117 1.908 1.908 1.908 . 0 0 "[ ]" 1
85 1 73 ILE HA 1 73 ILE HB 2.058 . 2.566 2.491 2.491 2.491 . 0 0 "[ ]" 1
86 1 31 ALA HA 1 31 ALA MB 1.750 . 2.118 2.076 2.076 2.076 . 0 0 "[ ]" 1
87 1 17 SER HB2 1 21 LYS HB2 4.602 2.061 7.143 5.855 5.855 5.855 . 0 0 "[ ]" 1
88 1 74 LEU HA 1 74 LEU MD2 2.837 . 3.803 2.110 2.110 2.110 . 0 0 "[ ]" 1
89 1 20 THR HA 1 20 THR HG1 2.414 . 3.114 2.246 2.246 2.246 . 0 0 "[ ]" 1
90 1 13 ALA MB 1 15 CYS HA 5.568 . 9.288 5.439 5.439 5.439 . 0 0 "[ ]" 1
91 1 1 GLN HA 1 73 ILE MD 3.781 2.066 5.496 4.022 4.022 4.022 . 0 0 "[ ]" 1
92 1 15 CYS HA 1 23 VAL MG2 2.873 . 3.863 2.488 2.488 2.488 . 0 0 "[ ]" 1
93 1 44 LEU HA 1 44 LEU QD 2.930 . 3.960 2.203 2.203 2.203 . 0 0 "[ ]" 1
94 1 35 ALA HA 1 79 LEU MD1 4.192 2.083 6.301 4.603 4.603 4.603 . 0 0 "[ ]" 1
95 1 13 ALA HA 1 16 HIS QB 2.820 . 3.774 2.342 2.342 2.342 . 0 0 "[ ]" 1
96 1 37 VAL HA 1 37 VAL QG 1.977 . 2.446 2.161 2.161 2.161 . 0 0 "[ ]" 1
97 1 36 GLY HA3 1 79 LEU MD1 2.639 . 3.475 2.476 2.476 2.476 . 0 0 "[ ]" 1
98 1 23 VAL HA 1 59 ILE MD 3.067 . 4.195 3.541 3.541 3.541 . 0 0 "[ ]" 1
99 1 5 ALA HA 1 18 VAL MG1 4.836 2.029 7.643 6.571 6.571 6.571 . 0 0 "[ ]" 1
100 1 45 ALA HA 1 48 ILE QG 2.451 . 3.172 2.088 2.088 2.088 . 0 0 "[ ]" 1
101 1 46 LEU HA 1 46 LEU MD2 1.854 . 2.266 1.940 1.940 1.940 . 0 0 "[ ]" 1
102 1 20 THR HB 1 20 THR HG1 2.032 . 2.527 1.908 1.908 1.908 . 0 0 "[ ]" 1
103 1 16 HIS HE1 1 24 GLY HA3 3.612 2.046 5.178 4.097 4.097 4.097 . 0 0 "[ ]" 1
104 1 17 SER HA 1 18 VAL MG2 2.888 . 3.889 3.331 3.331 3.331 . 0 0 "[ ]" 1
105 1 26 ALA MB 1 29 GLU HA 5.602 . 9.368 4.369 4.369 4.369 . 0 0 "[ ]" 1
106 1 29 GLU HA 1 30 VAL MG2 6.105 . 10.578 4.969 4.969 4.969 . 0 0 "[ ]" 1
107 1 13 ALA HA 1 16 HIS HD2 3.449 2.022 4.876 4.141 4.141 4.141 . 0 0 "[ ]" 1
108 1 16 HIS HA 1 30 VAL MG2 5.180 . 8.400 5.893 5.893 5.893 . 0 0 "[ ]" 1
109 1 48 ILE MD 1 71 ALA HA 2.599 . 3.410 2.043 2.043 2.043 . 0 0 "[ ]" 1
110 1 25 PRO QB 1 26 ALA HA 5.737 . 9.687 3.153 3.153 3.153 . 0 0 "[ ]" 1
111 1 49 LYS HA 1 66 VAL MG1 2.065 . 2.577 2.167 2.167 2.167 . 0 0 "[ ]" 1
112 1 47 ALA HA 1 52 SER HA 2.845 . 3.816 3.798 3.798 3.798 . 0 0 "[ ]" 1
113 1 6 LEU HA 1 10 LYS QE 3.334 . 4.668 4.003 4.003 4.003 . 0 0 "[ ]" 1
114 1 7 PHE HA 1 10 LYS QE 3.667 2.054 5.280 4.320 4.320 4.320 . 0 0 "[ ]" 1
115 1 5 ALA HA 1 8 LYS QE 3.418 2.016 4.820 2.908 2.908 2.908 . 0 0 "[ ]" 1
116 1 8 LYS HA 1 8 LYS QE 3.131 . 4.307 4.016 4.016 4.016 . 0 0 "[ ]" 1
117 1 10 LYS HB2 1 11 PRO HD3 2.628 . 3.457 3.264 3.264 3.264 . 0 0 "[ ]" 1
118 1 7 PHE HA 1 7 PHE QB 2.277 . 2.899 2.102 2.102 2.102 . 0 0 "[ ]" 1
119 1 10 LYS HB2 1 11 PRO HD2 2.409 . 3.106 3.453 3.453 3.453 0.347 1 0 "[ ]" 1
120 1 17 SER HB3 1 18 VAL HA 3.668 2.054 5.282 4.266 4.266 4.266 . 0 0 "[ ]" 1
121 1 21 LYS QE 1 26 ALA HA 3.269 . 4.552 3.953 3.953 3.953 . 0 0 "[ ]" 1
122 1 25 PRO HD3 1 56 TRP HB3 3.265 . 4.544 3.248 3.248 3.248 . 0 0 "[ ]" 1
123 1 21 LYS QE 1 25 PRO HA 3.050 . 4.166 2.168 2.168 2.168 . 0 0 "[ ]" 1
124 1 47 ALA HA 1 50 ASN HB2 3.070 . 4.201 3.650 3.650 3.650 . 0 0 "[ ]" 1
125 1 25 PRO HA 1 25 PRO HD3 2.584 . 3.385 3.074 3.074 3.074 . 0 0 "[ ]" 1
126 1 47 ALA HA 1 50 ASN HB2 3.556 2.039 5.073 3.421 3.421 3.421 . 0 0 "[ ]" 1
127 1 62 PRO QB 1 63 PRO HD2 2.367 . 3.039 2.035 2.035 2.035 . 0 0 "[ ]" 1
128 1 10 LYS QE 1 65 PRO QG 3.129 . 4.304 3.156 3.156 3.156 . 0 0 "[ ]" 1
129 1 63 PRO QD 1 63 PRO HG2 2.438 . 3.151 2.222 2.222 2.222 . 0 0 "[ ]" 1
130 1 63 PRO QD 1 63 PRO HG3 2.569 . 3.361 2.197 2.197 2.197 . 0 0 "[ ]" 1
131 1 6 LEU QB 1 10 LYS QE 2.858 . 3.839 4.062 4.062 4.062 0.223 1 0 "[ ]" 1
132 1 8 LYS QD 1 8 LYS QE 2.965 . 4.020 1.949 1.949 1.949 . 0 0 "[ ]" 1
133 1 25 PRO HD3 1 30 VAL MG1 5.802 . 9.842 4.343 4.343 4.343 . 0 0 "[ ]" 1
134 1 2 ASP QB 1 4 GLU QB 3.398 2.012 4.784 3.366 3.366 3.366 . 0 0 "[ ]" 1
135 1 10 LYS QD 1 66 VAL HB 2.774 . 3.697 3.152 3.152 3.152 . 0 0 "[ ]" 1
136 1 30 VAL MG1 1 78 VAL HB 3.225 . 4.473 3.773 3.773 3.773 . 0 0 "[ ]" 1
137 1 20 THR HG1 1 21 LYS HA 5.453 . 9.022 4.261 4.261 4.261 . 0 0 "[ ]" 1
138 1 25 PRO HD3 1 55 VAL MG2 2.965 . 4.020 2.022 2.022 2.022 . 0 0 "[ ]" 1
139 1 48 ILE QG 1 64 ASN HB2 3.802 2.067 5.537 3.400 3.400 3.400 . 0 0 "[ ]" 1
140 1 34 ASN HB3 1 79 LEU MD2 2.079 . 2.597 1.919 1.919 1.919 . 0 0 "[ ]" 1
141 1 49 LYS QB 1 50 ASN HA 3.053 . 4.172 3.721 3.721 3.721 . 0 0 "[ ]" 1
142 1 11 PRO HD3 1 11 PRO QG 2.065 . 2.577 2.092 2.092 2.092 . 0 0 "[ ]" 1
143 1 65 PRO QD 1 65 PRO QG 2.197 . 2.776 1.920 1.920 1.920 . 0 0 "[ ]" 1
144 1 37 VAL HA 1 37 VAL HB 1.919 . 2.361 2.464 2.464 2.464 0.103 1 0 "[ ]" 1
145 1 44 LEU HA 1 44 LEU HB3 2.264 . 2.879 2.365 2.365 2.365 . 0 0 "[ ]" 1
146 1 1 GLN HA 1 1 GLN HG2 2.606 . 3.421 2.247 2.247 2.247 . 0 0 "[ ]" 1
147 1 9 SER HB3 1 10 LYS QG 2.672 . 3.529 2.549 2.549 2.549 . 0 0 "[ ]" 1
148 1 5 ALA HA 1 8 LYS QB 2.299 . 2.933 2.865 2.865 2.865 . 0 0 "[ ]" 1
149 1 8 LYS HA 1 8 LYS QB 1.911 . 2.349 2.224 2.224 2.224 . 0 0 "[ ]" 1
150 1 1 GLN HA 1 6 LEU HG 2.539 . 3.312 2.500 2.500 2.500 . 0 0 "[ ]" 1
151 1 6 LEU HA 1 6 LEU HG 2.158 . 2.717 2.029 2.029 2.029 . 0 0 "[ ]" 1
152 1 31 ALA HA 1 31 ALA MB 1.794 . 2.180 2.043 2.043 2.043 . 0 0 "[ ]" 1
153 1 35 ALA HA 1 35 ALA MB 1.903 . 2.338 2.113 2.113 2.113 . 0 0 "[ ]" 1
154 1 5 ALA HA 1 5 ALA MB 1.935 . 2.384 1.997 1.997 1.997 . 0 0 "[ ]" 1
155 1 69 GLU QG 1 70 GLU HA 2.779 . 3.706 3.588 3.588 3.588 . 0 0 "[ ]" 1
156 1 17 SER HB2 1 22 MET QG 2.841 . 3.809 2.163 2.163 2.163 . 0 0 "[ ]" 1
157 1 79 LEU HA 1 79 LEU HB2 2.130 . 2.675 2.637 2.637 2.637 . 0 0 "[ ]" 1
158 1 21 LYS HB2 1 25 PRO HA 3.683 2.055 5.311 4.995 4.995 4.995 . 0 0 "[ ]" 1
159 1 21 LYS QD 1 56 TRP HB3 3.064 . 4.190 4.270 4.270 4.270 0.080 1 0 "[ ]" 1
160 1 3 GLY QA 1 6 LEU QB 2.834 . 3.798 2.709 2.709 2.709 . 0 0 "[ ]" 1
161 1 47 ALA HA 1 48 ILE HA 3.767 2.064 5.470 4.087 4.087 4.087 . 0 0 "[ ]" 1
162 1 11 PRO HB3 1 11 PRO QG 2.110 . 2.644 2.053 2.053 2.053 . 0 0 "[ ]" 1
163 1 4 GLU HA 1 4 GLU QG 2.327 . 2.977 2.047 2.047 2.047 . 0 0 "[ ]" 1
164 1 8 LYS QE 1 8 LYS QG 2.192 . 2.769 1.971 1.971 1.971 . 0 0 "[ ]" 1
165 1 2 ASP QB 1 4 GLU QB 3.182 . 4.397 2.969 2.969 2.969 . 0 0 "[ ]" 1
166 1 2 ASP QB 1 4 GLU QB 2.835 . 3.800 2.947 2.947 2.947 . 0 0 "[ ]" 1
167 1 21 LYS QD 1 21 LYS QE 1.920 . 2.362 1.850 1.850 1.850 . 0 0 "[ ]" 1
168 1 49 LYS QB 1 49 LYS QE 3.094 . 4.243 2.241 2.241 2.241 . 0 0 "[ ]" 1
169 1 2 ASP QB 1 5 ALA MB 2.564 . 3.353 3.624 3.624 3.624 0.271 1 0 "[ ]" 1
170 1 48 ILE HA 1 64 ASN QD 2.879 . 3.874 3.017 3.017 3.017 . 0 0 "[ ]" 1
171 1 49 LYS QE 1 49 LYS QG 2.488 . 3.231 2.009 2.009 2.009 . 0 0 "[ ]" 1
172 1 66 VAL HB 1 74 LEU HG 3.691 2.056 5.326 5.380 5.380 5.380 0.054 1 0 "[ ]" 1
173 1 10 LYS HB3 1 10 LYS QD 2.013 . 2.499 1.990 1.990 1.990 . 0 0 "[ ]" 1
174 1 33 LYS HB2 1 33 LYS QD 2.316 . 2.960 2.268 2.268 2.268 . 0 0 "[ ]" 1
175 1 33 LYS HB3 1 33 LYS QD 2.204 . 2.787 2.259 2.259 2.259 . 0 0 "[ ]" 1
176 1 10 LYS QD 1 10 LYS QG 2.023 . 2.514 1.982 1.982 1.982 . 0 0 "[ ]" 1
177 1 59 ILE HG12 1 59 ILE MG 2.326 . 2.975 2.355 2.355 2.355 . 0 0 "[ ]" 1
178 1 33 LYS HB3 1 37 VAL MG2 3.578 2.042 5.114 3.620 3.620 3.620 . 0 0 "[ ]" 1
179 1 73 ILE HB 1 73 ILE MG 1.993 . 2.470 1.827 1.827 1.827 . 0 0 "[ ]" 1
180 1 73 ILE HB 1 73 ILE MD 1.929 . 2.375 1.976 1.976 1.976 . 0 0 "[ ]" 1
181 1 6 LEU QB 1 74 LEU MD1 2.426 . 3.133 2.407 2.407 2.407 . 0 0 "[ ]" 1
182 1 8 LYS QD 1 13 ALA MB 4.609 2.060 7.158 3.444 3.444 3.444 . 0 0 "[ ]" 1
183 1 40 ALA MB 1 79 LEU MD1 2.155 . 2.712 2.368 2.368 2.368 . 0 0 "[ ]" 1
184 1 26 ALA MB 1 29 GLU QG 2.617 . 3.439 2.178 2.178 2.178 . 0 0 "[ ]" 1
185 1 48 ILE HB 1 48 ILE MD 2.086 . 2.608 2.117 2.117 2.117 . 0 0 "[ ]" 1
186 1 18 VAL MG2 1 19 ASP HA 3.969 2.079 5.859 3.331 3.331 3.331 . 0 0 "[ ]" 1
187 1 23 VAL HA 1 23 VAL MG2 2.127 . 2.670 2.600 2.600 2.600 . 0 0 "[ ]" 1
188 1 15 CYS HB3 1 23 VAL HA 3.533 2.035 5.031 4.025 4.025 4.025 . 0 0 "[ ]" 1
189 1 43 THR HB 1 44 LEU QD 3.979 2.079 5.879 3.982 3.982 3.982 . 0 0 "[ ]" 1
190 1 37 VAL MG1 1 38 GLU HA 2.917 . 3.938 3.397 3.397 3.397 . 0 0 "[ ]" 1
191 1 73 ILE MG 1 74 LEU HA 3.031 . 4.134 3.351 3.351 3.351 . 0 0 "[ ]" 1
192 1 36 GLY HA2 1 79 LEU MD1 2.146 . 2.698 2.187 2.187 2.187 . 0 0 "[ ]" 1
193 1 1 GLN HA 1 73 ILE MD 3.180 . 4.393 3.856 3.856 3.856 . 0 0 "[ ]" 1
194 1 20 THR HA 1 26 ALA MB 3.248 . 4.514 3.469 3.469 3.469 . 0 0 "[ ]" 1
195 1 29 GLU HA 1 30 VAL MG2 3.907 2.076 5.738 4.872 4.872 4.872 . 0 0 "[ ]" 1
196 1 30 VAL MG2 1 31 ALA HA 3.230 . 4.482 3.580 3.580 3.580 . 0 0 "[ ]" 1
197 1 5 ALA HA 1 27 LEU HG 5.686 . 9.566 8.113 8.113 8.113 . 0 0 "[ ]" 1
198 1 25 PRO QB 1 26 ALA HA 3.154 . 4.347 3.817 3.817 3.817 . 0 0 "[ ]" 1
199 1 28 LYS QE 1 28 LYS QG 2.299 . 2.933 2.238 2.238 2.238 . 0 0 "[ ]" 1
200 1 20 THR HG1 1 28 LYS QE 4.748 2.043 7.453 5.437 5.437 5.437 . 0 0 "[ ]" 1
201 1 12 CYS HB3 1 16 HIS HE1 4.684 2.052 7.316 6.298 6.298 6.298 . 0 0 "[ ]" 1
202 1 28 LYS QG 1 29 GLU QB 3.272 . 4.556 4.942 4.942 4.942 0.386 1 0 "[ ]" 1
203 1 44 LEU HB3 1 44 LEU QD 2.034 . 2.531 1.797 1.797 1.797 . 0 0 "[ ]" 1
204 1 19 ASP QB 1 20 THR HG1 2.460 . 3.186 2.927 2.927 2.927 . 0 0 "[ ]" 1
205 1 37 VAL HB 1 37 VAL QG 1.859 . 2.274 1.925 1.925 1.925 . 0 0 "[ ]" 1
206 1 30 VAL MG2 1 33 LYS HB2 4.970 2.006 7.934 4.992 4.992 4.992 . 0 0 "[ ]" 1
207 1 73 ILE HB 1 73 ILE MG 1.691 . 2.034 1.789 1.789 1.789 . 0 0 "[ ]" 1
208 1 18 VAL HB 1 18 VAL QG 2.147 . 2.700 1.918 1.918 1.918 . 0 0 "[ ]" 1
209 1 45 ALA MB 1 48 ILE MD 3.571 2.041 5.101 3.512 3.512 3.512 . 0 0 "[ ]" 1
210 1 73 ILE MD 1 73 ILE QG 1.887 . 2.314 1.821 1.821 1.821 . 0 0 "[ ]" 1
211 1 16 HIS QB 1 27 LEU HG 3.423 2.017 4.829 3.236 3.236 3.236 . 0 0 "[ ]" 1
212 1 78 VAL MG1 1 81 LEU MD2 2.696 . 3.568 2.216 2.216 2.216 . 0 0 "[ ]" 1
213 1 31 ALA H 1 31 ALA HA 2.443 . 3.159 2.611 2.611 2.611 . 0 0 "[ ]" 1
214 1 46 LEU HA 1 49 LYS H 2.840 . 3.808 3.213 3.213 3.213 . 0 0 "[ ]" 1
215 1 7 PHE QD 1 8 LYS HA 3.204 . 4.436 3.771 3.771 3.771 . 0 0 "[ ]" 1
216 1 28 LYS HA 1 29 GLU H 2.878 . 3.872 3.338 3.338 3.338 . 0 0 "[ ]" 1
217 1 4 GLU HA 1 77 TRP HZ2 2.824 . 3.781 2.271 2.271 2.271 . 0 0 "[ ]" 1
218 1 44 LEU HB2 1 45 ALA H 2.170 . 2.735 2.187 2.187 2.187 . 0 0 "[ ]" 1
219 1 27 LEU H 1 30 VAL MG1 2.830 . 3.791 3.514 3.514 3.514 . 0 0 "[ ]" 1
220 1 41 ALA MB 1 42 ASP H 2.309 . 2.949 2.407 2.407 2.407 . 0 0 "[ ]" 1
221 1 44 LEU QD 1 56 TRP HE1 4.062 2.082 6.042 3.230 3.230 3.230 . 0 0 "[ ]" 1
222 1 30 VAL MG2 1 34 ASN HD22 4.767 2.041 7.493 5.893 5.893 5.893 . 0 0 "[ ]" 1
223 1 44 LEU H 1 48 ILE QG 5.019 . 8.042 4.617 4.617 4.617 . 0 0 "[ ]" 1
224 1 48 ILE MD 1 74 LEU H 3.720 2.059 5.381 3.773 3.773 3.773 . 0 0 "[ ]" 1
225 1 16 HIS HD1 1 22 MET QB 6.481 . 11.522 5.322 5.322 5.322 . 0 0 "[ ]" 1
226 1 74 LEU H 1 77 TRP HB2 4.387 2.077 6.697 4.982 4.982 4.982 . 0 0 "[ ]" 1
227 1 45 ALA H 1 46 LEU MD2 4.357 2.079 6.635 5.596 5.596 5.596 . 0 0 "[ ]" 1
228 1 45 ALA H 1 66 VAL MG1 4.760 2.042 7.478 4.470 4.470 4.470 . 0 0 "[ ]" 1
229 1 73 ILE QG 1 76 GLU H 5.559 . 9.267 5.157 5.157 5.157 . 0 0 "[ ]" 1
230 1 6 LEU QD 1 69 GLU H 6.959 . 12.770 6.740 6.740 6.740 . 0 0 "[ ]" 1
231 1 31 ALA MB 1 77 TRP H 5.411 . 8.925 6.502 6.502 6.502 . 0 0 "[ ]" 1
232 1 69 GLU H 1 70 GLU QG 6.411 . 11.344 4.269 4.269 4.269 . 0 0 "[ ]" 1
233 1 73 ILE HB 1 77 TRP H 4.167 2.083 6.251 4.560 4.560 4.560 . 0 0 "[ ]" 1
234 1 74 LEU HB2 1 77 TRP H 3.940 2.077 5.803 5.358 5.358 5.358 . 0 0 "[ ]" 1
235 1 21 LYS QE 1 26 ALA H 4.957 2.008 7.906 3.052 3.052 3.052 . 0 0 "[ ]" 1
236 1 40 ALA H 1 40 ALA HA 2.255 . 2.865 2.593 2.593 2.593 . 0 0 "[ ]" 1
237 1 49 LYS QE 1 72 LYS H 4.728 2.046 7.410 4.705 4.705 4.705 . 0 0 "[ ]" 1
238 1 6 LEU QD 1 70 GLU H 5.326 . 8.730 5.067 5.067 5.067 . 0 0 "[ ]" 1
239 1 30 VAL MG2 1 79 LEU H 5.531 . 9.203 4.731 4.731 4.731 . 0 0 "[ ]" 1
240 1 49 LYS QG 1 66 VAL H 3.086 . 4.229 3.817 3.817 3.817 . 0 0 "[ ]" 1
241 1 30 VAL MG2 1 32 ALA H 4.482 2.071 6.893 4.219 4.219 4.219 . 0 0 "[ ]" 1
242 1 12 CYS HB2 1 22 MET H 4.667 2.054 7.280 6.837 6.837 6.837 . 0 0 "[ ]" 1
243 1 51 GLY H 1 52 SER HA 4.857 2.026 7.688 3.908 3.908 3.908 . 0 0 "[ ]" 1
244 1 4 GLU QG 1 77 TRP HD1 4.201 2.083 6.319 5.186 5.186 5.186 . 0 0 "[ ]" 1
245 1 7 PHE QD 1 27 LEU HG 3.990 2.079 5.901 4.743 4.743 4.743 . 0 0 "[ ]" 1
246 1 25 PRO QB 1 29 GLU H 4.917 2.016 7.818 4.773 4.773 4.773 . 0 0 "[ ]" 1
247 1 15 CYS HA 1 24 GLY H 3.715 2.059 5.371 4.700 4.700 4.700 . 0 0 "[ ]" 1
248 1 3 GLY QA 1 77 TRP HZ3 4.122 2.083 6.161 4.388 4.388 4.388 . 0 0 "[ ]" 1
249 1 74 LEU HA 1 77 TRP HZ3 4.031 2.081 5.981 5.818 5.818 5.818 . 0 0 "[ ]" 1
250 1 7 PHE QB 1 27 LEU MD1 4.262 2.083 6.441 3.627 3.627 3.627 . 0 0 "[ ]" 1
251 1 25 PRO HG3 1 78 VAL HB 4.169 2.083 6.255 5.860 5.860 5.860 . 0 0 "[ ]" 1
252 1 20 THR HA 1 21 LYS HA 4.008 2.080 5.936 4.020 4.020 4.020 . 0 0 "[ ]" 1
253 1 26 ALA HA 1 27 LEU MD2 4.758 2.041 7.475 4.889 4.889 4.889 . 0 0 "[ ]" 1
254 1 3 GLY H 1 73 ILE MG 3.004 . 4.087 2.339 2.339 2.339 . 0 0 "[ ]" 1
255 1 27 LEU QB 1 77 TRP HZ3 4.934 2.013 7.855 4.118 4.118 4.118 . 0 0 "[ ]" 1
256 1 55 VAL H 1 56 TRP H 2.579 . 3.377 2.033 2.033 2.033 . 0 0 "[ ]" 1
257 1 54 GLY H 1 55 VAL H 3.150 . 4.340 3.213 3.213 3.213 . 0 0 "[ ]" 1
258 1 56 TRP H 1 57 GLY H 2.546 . 3.324 2.271 2.271 2.271 . 0 0 "[ ]" 1
259 1 56 TRP H 1 56 TRP HD1 2.965 . 4.020 3.168 3.168 3.168 . 0 0 "[ ]" 1
260 1 53 GLN H 1 55 VAL H 4.997 . 7.994 5.450 5.450 5.450 . 0 0 "[ ]" 1
261 1 55 VAL H 1 57 GLY H 3.474 2.026 4.922 3.418 3.418 3.418 . 0 0 "[ ]" 1
262 1 55 VAL H 1 56 TRP HD1 3.654 2.052 5.256 4.718 4.718 4.718 . 0 0 "[ ]" 1
263 1 4 GLU H 1 77 TRP HE1 3.669 2.054 5.284 3.834 3.834 3.834 . 0 0 "[ ]" 1
264 1 68 GLU H 1 69 GLU H 2.791 . 3.726 2.794 2.794 2.794 . 0 0 "[ ]" 1
265 1 75 ALA H 1 76 GLU H 2.522 . 3.286 2.710 2.710 2.710 . 0 0 "[ ]" 1
266 1 77 TRP H 1 78 VAL H 2.906 . 3.920 2.634 2.634 2.634 . 0 0 "[ ]" 1
267 1 2 ASP H 1 3 GLY H 3.981 2.079 5.883 4.759 4.759 4.759 . 0 0 "[ ]" 1
268 1 40 ALA H 1 41 ALA H 2.981 . 4.047 2.678 2.678 2.678 . 0 0 "[ ]" 1
269 1 41 ALA H 1 42 ASP H 2.887 . 3.887 2.725 2.725 2.725 . 0 0 "[ ]" 1
270 1 66 VAL H 1 67 THR H 4.292 2.081 6.503 4.295 4.295 4.295 . 0 0 "[ ]" 1
271 1 67 THR H 1 70 GLU H 3.533 2.035 5.031 3.739 3.739 3.739 . 0 0 "[ ]" 1
272 1 34 ASN HD22 1 56 TRP HZ2 3.394 2.011 4.777 2.851 2.851 2.851 . 0 0 "[ ]" 1
273 1 77 TRP H 1 79 LEU H 3.369 2.007 4.731 3.968 3.968 3.968 . 0 0 "[ ]" 1
274 1 77 TRP HD1 1 78 VAL H 4.507 2.069 6.945 5.756 5.756 5.756 . 0 0 "[ ]" 1
275 1 77 TRP H 1 77 TRP HD1 3.745 2.062 5.428 4.904 4.904 4.904 . 0 0 "[ ]" 1
276 1 54 GLY H 1 56 TRP H 4.102 2.083 6.121 4.851 4.851 4.851 . 0 0 "[ ]" 1
277 1 44 LEU H 1 45 ALA H 2.636 . 3.470 2.582 2.582 2.582 . 0 0 "[ ]" 1
278 1 73 ILE H 1 74 LEU H 2.610 . 3.427 2.596 2.596 2.596 . 0 0 "[ ]" 1
279 1 27 LEU H 1 28 LYS H 3.037 . 4.144 2.723 2.723 2.723 . 0 0 "[ ]" 1
280 1 43 THR H 1 44 LEU H 2.770 . 3.690 2.630 2.630 2.630 . 0 0 "[ ]" 1
281 1 72 LYS H 1 74 LEU H 3.973 2.079 5.867 4.021 4.021 4.021 . 0 0 "[ ]" 1
282 1 42 ASP H 1 44 LEU H 3.804 2.068 5.540 4.052 4.052 4.052 . 0 0 "[ ]" 1
283 1 77 TRP HE3 1 78 VAL H 3.310 . 4.625 3.667 3.667 3.667 . 0 0 "[ ]" 1
284 1 36 GLY H 1 37 VAL H 2.869 . 3.857 2.986 2.986 2.986 . 0 0 "[ ]" 1
285 1 35 ALA H 1 36 GLY H 3.758 2.063 5.453 3.770 3.770 3.770 . 0 0 "[ ]" 1
286 1 44 LEU H 1 46 LEU H 4.343 2.080 6.606 4.171 4.171 4.171 . 0 0 "[ ]" 1
287 1 3 GLY H 1 4 GLU H 2.779 . 3.706 2.934 2.934 2.934 . 0 0 "[ ]" 1
288 1 28 LYS H 1 30 VAL H 3.937 2.077 5.797 4.516 4.516 4.516 . 0 0 "[ ]" 1
289 1 70 GLU H 1 71 ALA H 2.702 . 3.578 2.579 2.579 2.579 . 0 0 "[ ]" 1
290 1 69 GLU H 1 70 GLU H 2.704 . 3.582 2.712 2.712 2.712 . 0 0 "[ ]" 1
291 1 18 VAL H 1 19 ASP H 3.052 . 4.170 2.458 2.458 2.458 . 0 0 "[ ]" 1
292 1 6 LEU H 1 7 PHE H 2.907 . 3.921 2.637 2.637 2.637 . 0 0 "[ ]" 1
293 1 71 ALA H 1 72 LYS H 2.955 . 4.003 2.706 2.706 2.706 . 0 0 "[ ]" 1
294 1 7 PHE H 1 8 LYS H 3.095 . 4.245 2.700 2.700 2.700 . 0 0 "[ ]" 1
295 1 77 TRP H 1 77 TRP HE3 3.908 2.075 5.741 4.970 4.970 4.970 . 0 0 "[ ]" 1
296 1 50 ASN H 1 51 GLY H 2.846 . 3.818 2.451 2.451 2.451 . 0 0 "[ ]" 1
297 1 45 ALA H 1 46 LEU H 2.651 . 3.495 2.632 2.632 2.632 . 0 0 "[ ]" 1
298 1 20 THR H 1 21 LYS H 4.754 2.042 7.466 4.687 4.687 4.687 . 0 0 "[ ]" 1
299 1 18 VAL H 1 20 THR H 3.979 2.079 5.879 4.474 4.474 4.474 . 0 0 "[ ]" 1
300 1 49 LYS H 1 50 ASN H 2.481 . 3.220 2.390 2.390 2.390 . 0 0 "[ ]" 1
301 1 72 LYS H 1 73 ILE H 2.686 . 3.552 2.601 2.601 2.601 . 0 0 "[ ]" 1
302 1 42 ASP H 1 43 THR H 2.391 . 3.077 2.559 2.559 2.559 . 0 0 "[ ]" 1
303 1 9 SER H 1 10 LYS H 2.561 . 3.348 2.747 2.747 2.747 . 0 0 "[ ]" 1
304 1 5 ALA H 1 6 LEU H 2.679 . 3.540 2.538 2.538 2.538 . 0 0 "[ ]" 1
305 1 30 VAL H 1 31 ALA H 2.802 . 3.744 2.717 2.717 2.717 . 0 0 "[ ]" 1
306 1 50 ASN H 1 50 ASN HD22 3.495 2.029 4.961 4.083 4.083 4.083 . 0 0 "[ ]" 1
307 1 45 ALA H 1 47 ALA H 3.796 2.067 5.525 3.893 3.893 3.893 . 0 0 "[ ]" 1
308 1 33 LYS H 1 34 ASN H 2.514 . 3.273 2.614 2.614 2.614 . 0 0 "[ ]" 1
309 1 47 ALA H 1 48 ILE H 2.897 . 3.904 2.692 2.692 2.692 . 0 0 "[ ]" 1
310 1 19 ASP H 1 20 THR H 2.705 . 3.583 2.484 2.484 2.484 . 0 0 "[ ]" 1
311 1 30 VAL H 1 32 ALA H 4.016 2.080 5.952 4.191 4.191 4.191 . 0 0 "[ ]" 1
312 1 34 ASN H 1 34 ASN HD21 2.609 . 3.426 2.694 2.694 2.694 . 0 0 "[ ]" 1
313 1 80 SER H 1 81 LEU H 2.732 . 3.628 4.004 4.004 4.004 0.376 1 0 "[ ]" 1
314 1 56 TRP HH2 1 56 TRP HZ3 2.478 . 3.215 2.473 2.473 2.473 . 0 0 "[ ]" 1
315 1 14 ALA H 1 15 CYS H 2.655 . 3.501 2.858 2.858 2.858 . 0 0 "[ ]" 1
316 1 24 GLY H 1 59 ILE H 4.299 2.081 6.517 6.784 6.784 6.784 0.267 1 0 "[ ]" 1
317 1 52 SER H 1 61 MET H 3.166 . 4.369 3.039 3.039 3.039 . 0 0 "[ ]" 1
318 1 28 LYS H 1 29 GLU H 2.754 . 3.664 2.675 2.675 2.675 . 0 0 "[ ]" 1
319 1 50 ASN H 1 50 ASN HD21 4.582 2.062 7.102 2.754 2.754 2.754 . 0 0 "[ ]" 1
320 1 7 PHE H 1 7 PHE QD 3.275 . 4.562 4.226 4.226 4.226 . 0 0 "[ ]" 1
321 1 52 SER H 1 53 GLN H 4.384 2.078 6.690 4.599 4.599 4.599 . 0 0 "[ ]" 1
322 1 29 GLU H 1 30 VAL H 2.350 . 3.013 2.744 2.744 2.744 . 0 0 "[ ]" 1
323 1 23 VAL H 1 24 GLY H 2.528 . 3.295 2.028 2.028 2.028 . 0 0 "[ ]" 1
324 1 66 VAL HA 1 67 THR H 2.205 . 2.789 2.230 2.230 2.230 . 0 0 "[ ]" 1
325 1 60 PRO HA 1 61 MET H 2.524 . 3.289 2.493 2.493 2.493 . 0 0 "[ ]" 1
326 1 10 LYS H 1 10 LYS HA 2.862 . 3.845 2.944 2.944 2.944 . 0 0 "[ ]" 1
327 1 66 VAL H 1 66 VAL HA 2.815 . 3.766 2.961 2.961 2.961 . 0 0 "[ ]" 1
328 1 67 THR HB 1 70 GLU H 4.251 2.083 6.419 3.910 3.910 3.910 . 0 0 "[ ]" 1
329 1 64 ASN HA 1 64 ASN QD 4.481 2.071 6.891 3.484 3.484 3.484 . 0 0 "[ ]" 1
330 1 52 SER H 1 60 PRO HA 4.210 2.083 6.337 5.077 5.077 5.077 . 0 0 "[ ]" 1
331 1 56 TRP H 1 56 TRP HA 2.902 . 3.913 3.011 3.011 3.011 . 0 0 "[ ]" 1
332 1 56 TRP H 1 56 TRP HB3 2.931 . 3.962 3.716 3.716 3.716 . 0 0 "[ ]" 1
333 1 77 TRP HA 1 77 TRP HE1 4.572 2.063 7.081 4.775 4.775 4.775 . 0 0 "[ ]" 1
334 1 53 GLN HA 1 55 VAL H 3.312 . 4.628 5.194 5.194 5.194 0.566 1 1 [+] 1
335 1 54 GLY HA3 1 55 VAL H 3.224 . 4.471 3.577 3.577 3.577 . 0 0 "[ ]" 1
336 1 54 GLY HA2 1 55 VAL H 3.455 2.023 4.887 2.419 2.419 2.419 . 0 0 "[ ]" 1
337 1 67 THR HB 1 68 GLU H 1.797 . 2.185 2.154 2.154 2.154 . 0 0 "[ ]" 1
338 1 2 ASP HA 1 3 GLY H 2.409 . 3.106 2.400 2.400 2.400 . 0 0 "[ ]" 1
339 1 19 ASP HA 1 28 LYS H 3.884 2.074 5.694 3.505 3.505 3.505 . 0 0 "[ ]" 1
340 1 74 LEU H 1 74 LEU HA 2.879 . 3.873 2.913 2.913 2.913 . 0 0 "[ ]" 1
341 1 43 THR HB 1 44 LEU H 2.483 . 3.223 2.755 2.755 2.755 . 0 0 "[ ]" 1
342 1 44 LEU H 1 44 LEU HA 2.585 . 3.387 2.922 2.922 2.922 . 0 0 "[ ]" 1
343 1 35 ALA HA 1 36 GLY H 2.423 . 3.128 2.446 2.446 2.446 . 0 0 "[ ]" 1
344 1 38 GLU H 1 38 GLU HA 2.981 . 4.047 2.940 2.940 2.940 . 0 0 "[ ]" 1
345 1 72 LYS HA 1 75 ALA H 3.200 . 4.429 3.642 3.642 3.642 . 0 0 "[ ]" 1
346 1 37 VAL HA 1 38 GLU H 2.043 . 2.544 2.288 2.288 2.288 . 0 0 "[ ]" 1
347 1 36 GLY H 1 36 GLY HA2 2.858 . 3.838 2.347 2.347 2.347 . 0 0 "[ ]" 1
348 1 60 PRO HD2 1 61 MET H 3.953 2.078 5.828 5.377 5.377 5.377 . 0 0 "[ ]" 1
349 1 43 THR HA 1 44 LEU H 3.136 . 4.316 3.598 3.598 3.598 . 0 0 "[ ]" 1
350 1 41 ALA H 1 41 ALA HA 2.654 . 3.499 2.884 2.884 2.884 . 0 0 "[ ]" 1
351 1 36 GLY H 1 36 GLY HA3 2.988 . 4.059 2.881 2.881 2.881 . 0 0 "[ ]" 1
352 1 68 GLU H 1 68 GLU HA 2.766 . 3.684 2.889 2.889 2.889 . 0 0 "[ ]" 1
353 1 73 ILE HA 1 74 LEU H 3.357 2.005 4.709 3.603 3.603 3.603 . 0 0 "[ ]" 1
354 1 28 LYS H 1 28 LYS HA 2.591 . 3.396 2.897 2.897 2.897 . 0 0 "[ ]" 1
355 1 2 ASP H 1 2 ASP HA 2.906 . 3.920 2.868 2.868 2.868 . 0 0 "[ ]" 1
356 1 67 THR HA 1 69 GLU H 3.855 2.071 5.639 4.862 4.862 4.862 . 0 0 "[ ]" 1
357 1 50 ASN H 1 50 ASN HA 2.857 . 3.836 3.010 3.010 3.010 . 0 0 "[ ]" 1
358 1 17 SER HA 1 18 VAL H 2.421 . 3.124 2.595 2.595 2.595 . 0 0 "[ ]" 1
359 1 20 THR HA 1 21 LYS H 2.496 . 3.244 2.376 2.376 2.376 . 0 0 "[ ]" 1
360 1 74 LEU HA 1 76 GLU H 4.724 2.046 7.402 4.594 4.594 4.594 . 0 0 "[ ]" 1
361 1 77 TRP H 1 77 TRP HA 2.670 . 3.525 2.930 2.930 2.930 . 0 0 "[ ]" 1
362 1 42 ASP HA 1 45 ALA H 3.479 2.026 4.932 3.501 3.501 3.501 . 0 0 "[ ]" 1
363 1 72 LYS HA 1 76 GLU H 3.901 2.075 5.727 3.991 3.991 3.991 . 0 0 "[ ]" 1
364 1 16 HIS HA 1 16 HIS HD1 3.114 . 4.278 2.832 2.832 2.832 . 0 0 "[ ]" 1
365 1 16 HIS HA 1 17 SER H 2.350 . 3.012 2.352 2.352 2.352 . 0 0 "[ ]" 1
366 1 69 GLU H 1 69 GLU HA 2.564 . 3.353 2.899 2.899 2.899 . 0 0 "[ ]" 1
367 1 7 PHE H 1 7 PHE HA 2.714 . 3.598 2.891 2.891 2.891 . 0 0 "[ ]" 1
368 1 76 GLU HA 1 77 TRP H 3.673 2.054 5.292 3.572 3.572 3.572 . 0 0 "[ ]" 1
369 1 71 ALA H 1 71 ALA HA 2.909 . 3.924 2.890 2.890 2.890 . 0 0 "[ ]" 1
370 1 68 GLU HA 1 69 GLU H 3.169 . 4.374 3.621 3.621 3.621 . 0 0 "[ ]" 1
371 1 73 ILE HA 1 76 GLU H 3.088 . 4.233 3.669 3.669 3.669 . 0 0 "[ ]" 1
372 1 16 HIS HD1 1 26 ALA HA 2.681 . 3.544 3.389 3.389 3.389 . 0 0 "[ ]" 1
373 1 49 LYS HA 1 50 ASN H 3.010 . 4.097 3.593 3.593 3.593 . 0 0 "[ ]" 1
374 1 77 TRP H 1 77 TRP HB2 2.484 . 3.224 2.590 2.590 2.590 . 0 0 "[ ]" 1
375 1 17 SER H 1 17 SER QB 2.676 . 3.535 2.520 2.520 2.520 . 0 0 "[ ]" 1
376 1 54 GLY H 1 55 VAL HA 5.642 . 9.462 5.582 5.582 5.582 . 0 0 "[ ]" 1
377 1 57 GLY H 1 57 GLY HA3 2.911 . 3.928 2.624 2.624 2.624 . 0 0 "[ ]" 1
378 1 56 TRP HA 1 56 TRP HE3 2.764 . 3.681 3.135 3.135 3.135 . 0 0 "[ ]" 1
379 1 9 SER HA 1 10 LYS H 3.599 2.044 5.154 3.635 3.635 3.635 . 0 0 "[ ]" 1
380 1 67 THR HA 1 70 GLU H 4.540 2.066 7.014 4.874 4.874 4.874 . 0 0 "[ ]" 1
381 1 42 ASP H 1 42 ASP HA 2.286 . 2.913 2.934 2.934 2.934 0.021 1 0 "[ ]" 1
382 1 1 GLN HA 1 6 LEU H 3.439 2.020 4.858 5.065 5.065 5.065 0.207 1 0 "[ ]" 1
383 1 80 SER H 1 80 SER HA 2.992 . 4.067 3.012 3.012 3.012 . 0 0 "[ ]" 1
384 1 43 THR H 1 43 THR HB 2.380 . 3.060 2.690 2.690 2.690 . 0 0 "[ ]" 1
385 1 52 SER HA 1 53 GLN H 2.117 . 2.655 2.272 2.272 2.272 . 0 0 "[ ]" 1
386 1 29 GLU HA 1 32 ALA H 2.783 . 3.713 3.516 3.516 3.516 . 0 0 "[ ]" 1
387 1 35 ALA HA 1 37 VAL H 4.002 2.080 5.924 5.099 5.099 5.099 . 0 0 "[ ]" 1
388 1 33 LYS H 1 33 LYS HA 2.405 . 3.099 2.933 2.933 2.933 . 0 0 "[ ]" 1
389 1 9 SER HB2 1 10 LYS H 3.148 . 4.337 2.445 2.445 2.445 . 0 0 "[ ]" 1
390 1 80 SER H 1 80 SER HB3 2.959 . 4.010 3.782 3.782 3.782 . 0 0 "[ ]" 1
391 1 7 PHE HA 1 8 LYS H 3.122 . 4.291 3.582 3.582 3.582 . 0 0 "[ ]" 1
392 1 69 GLU HA 1 70 GLU H 3.367 2.006 4.728 3.585 3.585 3.585 . 0 0 "[ ]" 1
393 1 57 GLY H 1 58 PRO HD3 4.241 2.083 6.399 4.971 4.971 4.971 . 0 0 "[ ]" 1
394 1 37 VAL H 1 37 VAL HA 2.462 . 3.189 3.017 3.017 3.017 . 0 0 "[ ]" 1
395 1 5 ALA HA 1 6 LEU H 3.472 2.026 4.918 3.596 3.596 3.596 . 0 0 "[ ]" 1
396 1 80 SER H 1 80 SER HB2 2.655 . 3.501 2.602 2.602 2.602 . 0 0 "[ ]" 1
397 1 9 SER H 1 9 SER HB3 2.660 . 3.509 3.663 3.663 3.663 0.154 1 0 "[ ]" 1
398 1 30 VAL HA 1 56 TRP HZ2 2.182 . 2.754 2.551 2.551 2.551 . 0 0 "[ ]" 1
399 1 11 PRO HD2 1 12 CYS H 3.202 . 4.433 4.515 4.515 4.515 0.082 1 0 "[ ]" 1
400 1 43 THR H 1 43 THR HA 2.394 . 3.082 2.913 2.913 2.913 . 0 0 "[ ]" 1
401 1 36 GLY HA3 1 37 VAL H 4.066 2.082 6.050 3.614 3.614 3.614 . 0 0 "[ ]" 1
402 1 8 LYS H 1 8 LYS HA 2.259 . 2.871 2.975 2.975 2.975 0.104 1 0 "[ ]" 1
403 1 70 GLU H 1 70 GLU HA 2.907 . 3.921 2.926 2.926 2.926 . 0 0 "[ ]" 1
404 1 31 ALA HA 1 32 ALA H 2.570 . 3.362 3.583 3.583 3.583 0.221 1 0 "[ ]" 1
405 1 79 LEU H 1 79 LEU HA 2.638 . 3.473 2.937 2.937 2.937 . 0 0 "[ ]" 1
406 1 79 LEU HA 1 80 SER H 3.582 2.043 5.121 3.616 3.616 3.616 . 0 0 "[ ]" 1
407 1 56 TRP HB3 1 56 TRP HE3 2.666 . 3.519 2.652 2.652 2.652 . 0 0 "[ ]" 1
408 1 59 ILE H 1 59 ILE HA 2.835 . 3.800 2.929 2.929 2.929 . 0 0 "[ ]" 1
409 1 2 ASP HA 1 4 GLU H 3.858 2.072 5.644 4.500 4.500 4.500 . 0 0 "[ ]" 1
410 1 19 ASP HA 1 20 THR H 3.126 . 4.299 3.649 3.649 3.649 . 0 0 "[ ]" 1
411 1 50 ASN HA 1 51 GLY H 3.797 2.067 5.527 3.642 3.642 3.642 . 0 0 "[ ]" 1
412 1 20 THR H 1 20 THR HA 2.913 . 3.931 2.982 2.982 2.982 . 0 0 "[ ]" 1
413 1 80 SER HA 1 81 LEU H 3.407 2.014 4.800 2.269 2.269 2.269 . 0 0 "[ ]" 1
414 1 22 MET HA 1 23 VAL H 3.259 . 4.533 3.616 3.616 3.616 . 0 0 "[ ]" 1
415 1 15 CYS HA 1 16 HIS H 3.988 2.079 5.897 3.623 3.623 3.623 . 0 0 "[ ]" 1
416 1 35 ALA H 1 35 ALA HA 2.650 . 3.493 2.997 2.997 2.997 . 0 0 "[ ]" 1
417 1 44 LEU HA 1 47 ALA H 3.149 . 4.339 3.548 3.548 3.548 . 0 0 "[ ]" 1
418 1 29 GLU HA 1 30 VAL H 3.251 . 4.519 3.633 3.633 3.633 . 0 0 "[ ]" 1
419 1 29 GLU H 1 29 GLU HA 2.697 . 3.570 2.910 2.910 2.910 . 0 0 "[ ]" 1
420 1 33 LYS HA 1 34 ASN H 3.158 . 4.354 3.614 3.614 3.614 . 0 0 "[ ]" 1
421 1 33 LYS HA 1 56 TRP HH2 3.643 2.050 5.236 4.630 4.630 4.630 . 0 0 "[ ]" 1
422 1 16 HIS H 1 16 HIS HA 2.893 . 3.897 2.938 2.938 2.938 . 0 0 "[ ]" 1
423 1 53 GLN HE21 1 60 PRO HD3 4.538 2.067 7.009 5.943 5.943 5.943 . 0 0 "[ ]" 1
424 1 77 TRP HD1 1 80 SER HB3 4.437 2.074 6.800 6.528 6.528 6.528 . 0 0 "[ ]" 1
425 1 7 PHE HA 1 7 PHE QD 2.514 . 3.273 2.718 2.718 2.718 . 0 0 "[ ]" 1
426 1 5 ALA H 1 5 ALA HA 2.389 . 3.074 2.940 2.940 2.940 . 0 0 "[ ]" 1
427 1 77 TRP HD1 1 80 SER HB2 5.606 . 9.377 5.892 5.892 5.892 . 0 0 "[ ]" 1
428 1 81 LEU HA 1 82 LYS H 2.198 . 2.778 2.355 2.355 2.355 . 0 0 "[ ]" 1
429 1 81 LEU H 1 81 LEU HA 2.584 . 3.385 2.955 2.955 2.955 . 0 0 "[ ]" 1
430 1 30 VAL H 1 30 VAL HA 2.830 . 3.791 2.897 2.897 2.897 . 0 0 "[ ]" 1
431 1 30 VAL HA 1 56 TRP HH2 2.466 . 3.195 2.530 2.530 2.530 . 0 0 "[ ]" 1
432 1 46 LEU H 1 46 LEU HA 2.452 . 3.174 2.932 2.932 2.932 . 0 0 "[ ]" 1
433 1 46 LEU HA 1 50 ASN HD21 3.937 2.077 5.797 2.887 2.887 2.887 . 0 0 "[ ]" 1
434 1 31 ALA HA 1 34 ASN H 3.362 2.006 4.718 3.893 3.893 3.893 . 0 0 "[ ]" 1
435 1 77 TRP HB2 1 77 TRP HD1 3.019 . 4.113 2.818 2.818 2.818 . 0 0 "[ ]" 1
436 1 49 LYS H 1 49 LYS HA 2.511 . 3.268 2.974 2.974 2.974 . 0 0 "[ ]" 1
437 1 79 LEU HA 1 81 LEU H 3.301 . 4.609 5.441 5.441 5.441 0.832 1 1 [+] 1
438 1 28 LYS HA 1 30 VAL H 3.594 2.044 5.144 4.870 4.870 4.870 . 0 0 "[ ]" 1
439 1 28 LYS HA 1 29 GLU H 3.260 . 4.535 3.587 3.587 3.587 . 0 0 "[ ]" 1
440 1 58 PRO HD2 1 59 ILE H 3.655 2.052 5.258 2.515 2.515 2.515 . 0 0 "[ ]" 1
441 1 7 PHE HZ 1 17 SER HA 2.935 . 3.969 3.779 3.779 3.779 . 0 0 "[ ]" 1
442 1 14 ALA HA 1 15 CYS H 2.929 . 3.959 3.618 3.618 3.618 . 0 0 "[ ]" 1
443 1 7 PHE QE 1 13 ALA HA 3.245 . 4.508 2.743 2.743 2.743 . 0 0 "[ ]" 1
444 1 7 PHE HZ 1 13 ALA HA 3.113 . 4.276 2.786 2.786 2.786 . 0 0 "[ ]" 1
445 1 53 GLN HE22 1 60 PRO HD3 4.353 2.079 6.627 5.169 5.169 5.169 . 0 0 "[ ]" 1
446 1 23 VAL HA 1 24 GLY H 3.312 . 4.629 3.607 3.607 3.607 . 0 0 "[ ]" 1
447 1 24 GLY H 1 24 GLY HA2 2.816 . 3.767 3.004 3.004 3.004 . 0 0 "[ ]" 1
448 1 7 PHE HA 1 77 TRP HZ3 4.235 2.083 6.387 5.153 5.153 5.153 . 0 0 "[ ]" 1
449 1 7 PHE HA 1 77 TRP HH2 4.750 2.043 7.457 6.240 6.240 6.240 . 0 0 "[ ]" 1
450 1 56 TRP H 1 56 TRP HB2 2.709 . 3.590 2.496 2.496 2.496 . 0 0 "[ ]" 1
451 1 77 TRP HB3 1 77 TRP HE1 3.803 2.067 5.539 5.294 5.294 5.294 . 0 0 "[ ]" 1
452 1 4 GLU HA 1 77 TRP HE1 3.554 2.038 5.070 4.341 4.341 4.341 . 0 0 "[ ]" 1
453 1 77 TRP HB3 1 78 VAL H 3.397 2.012 4.782 2.672 2.672 2.672 . 0 0 "[ ]" 1
454 1 3 GLY H 1 3 GLY QA 2.184 . 2.756 2.229 2.229 2.229 . 0 0 "[ ]" 1
455 1 27 LEU HA 1 28 LYS H 3.830 2.070 5.590 3.584 3.584 3.584 . 0 0 "[ ]" 1
456 1 18 VAL HA 1 28 LYS H 3.091 . 4.238 3.919 3.919 3.919 . 0 0 "[ ]" 1
457 1 49 LYS QE 1 68 GLU H 3.640 2.059 5.230 4.487 4.487 4.487 . 0 0 "[ ]" 1
458 1 78 VAL H 1 78 VAL HB 2.325 . 2.974 3.733 3.733 3.733 0.759 1 1 [+] 1
459 1 34 ASN HB2 1 34 ASN HD22 3.084 . 4.225 3.574 3.574 3.574 . 0 0 "[ ]" 1
460 1 47 ALA HA 1 50 ASN H 3.220 . 4.464 3.747 3.747 3.747 . 0 0 "[ ]" 1
461 1 25 PRO HA 1 26 ALA H 2.223 . 2.816 2.352 2.352 2.352 . 0 0 "[ ]" 1
462 1 77 TRP H 1 77 TRP HB3 2.531 . 3.299 2.644 2.644 2.644 . 0 0 "[ ]" 1
463 1 3 GLY QA 1 7 PHE H 3.924 2.076 5.772 3.696 3.696 3.696 . 0 0 "[ ]" 1
464 1 18 VAL H 1 27 LEU HA 4.750 2.043 7.457 7.389 7.389 7.389 . 0 0 "[ ]" 1
465 1 7 PHE H 1 7 PHE QB 2.515 . 3.228 2.276 2.276 2.276 . 0 0 "[ ]" 1
466 1 2 ASP H 1 2 ASP QB 2.920 . 3.943 2.607 2.607 2.607 . 0 0 "[ ]" 1
467 1 50 ASN H 1 50 ASN QB 2.538 . 3.311 2.495 2.495 2.495 . 0 0 "[ ]" 1
468 1 76 GLU H 1 76 GLU QG 2.435 . 3.147 2.600 2.600 2.600 . 0 0 "[ ]" 1
469 1 69 GLU H 1 70 GLU QB 3.518 2.033 5.003 4.751 4.751 4.751 . 0 0 "[ ]" 1
470 1 1 GLN HG3 1 2 ASP H 4.347 2.079 6.615 4.591 4.591 4.591 . 0 0 "[ ]" 1
471 1 70 GLU QB 1 71 ALA H 2.544 . 3.321 2.697 2.697 2.697 . 0 0 "[ ]" 1
472 1 51 GLY HA3 1 53 GLN H 4.008 2.080 5.936 6.179 6.179 6.179 0.243 1 0 "[ ]" 1
473 1 56 TRP HB2 1 57 GLY H 3.057 . 4.179 2.486 2.486 2.486 . 0 0 "[ ]" 1
474 1 56 TRP HB2 1 56 TRP HD1 2.787 . 3.719 2.652 2.652 2.652 . 0 0 "[ ]" 1
475 1 77 TRP HB3 1 77 TRP HE3 2.725 . 3.616 2.509 2.509 2.509 . 0 0 "[ ]" 1
476 1 3 GLY QA 1 6 LEU H 3.630 2.049 5.211 3.486 3.486 3.486 . 0 0 "[ ]" 1
477 1 18 VAL HA 1 27 LEU H 2.812 . 3.761 3.072 3.072 3.072 . 0 0 "[ ]" 1
478 1 18 VAL HA 1 19 ASP H 3.382 2.010 4.754 3.588 3.588 3.588 . 0 0 "[ ]" 1
479 1 10 LYS H 1 10 LYS QE 5.787 . 9.805 4.859 4.859 4.859 . 0 0 "[ ]" 1
480 1 52 SER QB 1 53 GLN H 3.742 2.062 5.422 2.969 2.969 2.969 . 0 0 "[ ]" 1
481 1 34 ASN HB3 1 34 ASN HD21 3.285 . 4.580 3.558 3.558 3.558 . 0 0 "[ ]" 1
482 1 34 ASN HB3 1 56 TRP HZ2 4.099 2.083 6.115 6.066 6.066 6.066 . 0 0 "[ ]" 1
483 1 34 ASN HB3 1 37 VAL H 4.365 2.079 6.651 3.939 3.939 3.939 . 0 0 "[ ]" 1
484 1 2 ASP QB 1 6 LEU H 3.915 2.076 5.754 4.938 4.938 4.938 . 0 0 "[ ]" 1
485 1 12 CYS HB3 1 13 ALA H 3.768 2.064 5.472 3.829 3.829 3.829 . 0 0 "[ ]" 1
486 1 78 VAL HA 1 79 LEU H 3.737 2.061 5.413 3.554 3.554 3.554 . 0 0 "[ ]" 1
487 1 10 LYS H 1 10 LYS HB2 2.846 . 3.818 2.388 2.388 2.388 . 0 0 "[ ]" 1
488 1 4 GLU HA 1 6 LEU H 3.516 2.033 4.999 4.665 4.665 4.665 . 0 0 "[ ]" 1
489 1 51 GLY H 1 51 GLY HA3 2.441 . 3.156 3.000 3.000 3.000 . 0 0 "[ ]" 1
490 1 47 ALA H 1 47 ALA HA 2.814 . 3.764 2.893 2.893 2.893 . 0 0 "[ ]" 1
491 1 47 ALA HA 1 49 LYS H 4.050 2.081 6.019 4.324 4.324 4.324 . 0 0 "[ ]" 1
492 1 51 GLY HA3 1 52 SER H 2.698 . 3.571 2.997 2.997 2.997 . 0 0 "[ ]" 1
493 1 21 LYS HA 1 22 MET H 2.165 . 2.727 2.263 2.263 2.263 . 0 0 "[ ]" 1
494 1 3 GLY QA 1 4 GLU H 2.674 . 3.532 2.848 2.848 2.848 . 0 0 "[ ]" 1
495 1 27 LEU HA 1 29 GLU H 4.144 2.084 6.204 4.299 4.299 4.299 . 0 0 "[ ]" 1
496 1 27 LEU HA 1 30 VAL H 3.158 . 4.355 3.692 3.692 3.692 . 0 0 "[ ]" 1
497 1 51 GLY H 1 63 PRO HA 3.317 . 4.637 4.468 4.468 4.468 . 0 0 "[ ]" 1
498 1 63 PRO HA 1 64 ASN H 2.352 . 3.016 2.232 2.232 2.232 . 0 0 "[ ]" 1
499 1 52 SER H 1 52 SER QB 3.688 2.056 4.432 2.467 2.467 2.467 . 0 0 "[ ]" 1
500 1 34 ASN HB3 1 35 ALA H 3.940 2.078 5.802 4.083 4.083 4.083 . 0 0 "[ ]" 1
501 1 34 ASN H 1 34 ASN HB3 3.015 . 4.106 3.800 3.800 3.800 . 0 0 "[ ]" 1
502 1 2 ASP QB 1 5 ALA H 3.220 . 4.464 3.813 3.813 3.813 . 0 0 "[ ]" 1
503 1 2 ASP QB 1 4 GLU H 3.611 2.046 5.176 3.102 3.102 3.102 . 0 0 "[ ]" 1
504 1 78 VAL HA 1 81 LEU H 3.672 2.054 5.290 5.405 5.405 5.405 0.115 1 0 "[ ]" 1
505 1 50 ASN HB2 1 51 GLY H 3.146 . 4.334 2.327 2.327 2.327 . 0 0 "[ ]" 1
506 1 50 ASN HB2 1 50 ASN HD22 2.688 . 3.555 3.573 3.573 3.573 0.018 1 0 "[ ]" 1
507 1 50 ASN HB2 1 50 ASN HD21 3.204 . 4.436 2.381 2.381 2.381 . 0 0 "[ ]" 1
508 1 4 GLU HA 1 5 ALA H 3.239 . 4.498 3.599 3.599 3.599 . 0 0 "[ ]" 1
509 1 4 GLU H 1 4 GLU HA 2.865 . 3.850 2.909 2.909 2.909 . 0 0 "[ ]" 1
510 1 50 ASN HB3 1 50 ASN HD22 2.829 . 3.789 4.092 4.092 4.092 0.303 1 0 "[ ]" 1
511 1 64 ASN HB2 1 64 ASN QD 2.681 . 3.544 2.388 2.388 2.388 . 0 0 "[ ]" 1
512 1 50 ASN HB3 1 50 ASN HD21 3.376 2.008 4.744 3.559 3.559 3.559 . 0 0 "[ ]" 1
513 1 19 ASP QB 1 20 THR H 3.089 . 4.234 2.194 2.194 2.194 . 0 0 "[ ]" 1
514 1 34 ASN HB2 1 35 ALA H 3.375 2.008 4.742 4.513 4.513 4.513 . 0 0 "[ ]" 1
515 1 34 ASN H 1 34 ASN HB2 2.365 . 3.036 2.679 2.679 2.679 . 0 0 "[ ]" 1
516 1 7 PHE QE 1 12 CYS HB3 2.684 . 3.548 2.915 2.915 2.915 . 0 0 "[ ]" 1
517 1 7 PHE HZ 1 12 CYS HB3 3.553 2.038 5.068 4.505 4.505 4.505 . 0 0 "[ ]" 1
518 1 55 VAL HB 1 56 TRP HE1 3.576 2.042 5.110 3.924 3.924 3.924 . 0 0 "[ ]" 1
519 1 55 VAL HB 1 56 TRP H 2.950 . 3.994 3.557 3.557 3.557 . 0 0 "[ ]" 1
520 1 55 VAL H 1 55 VAL HB 2.753 . 3.663 3.933 3.933 3.933 0.270 1 0 "[ ]" 1
521 1 4 GLU QB 1 77 TRP HE1 2.759 2.080 3.673 3.270 3.270 3.270 . 0 0 "[ ]" 1
522 1 68 GLU H 1 68 GLU QG 2.586 . 3.389 2.404 2.404 2.404 . 0 0 "[ ]" 1
523 1 38 GLU H 1 38 GLU QG 2.723 . 3.613 3.494 3.494 3.494 . 0 0 "[ ]" 1
524 1 44 LEU H 1 44 LEU HB2 2.170 . 2.735 2.488 2.488 2.488 . 0 0 "[ ]" 1
525 1 38 GLU H 1 38 GLU QB 2.217 . 2.807 2.317 2.317 2.317 . 0 0 "[ ]" 1
526 1 75 ALA MB 1 78 VAL H 5.812 . 9.865 4.899 4.899 4.899 . 0 0 "[ ]" 1
527 1 75 ALA H 1 75 ALA MB 2.441 . 3.156 2.289 2.289 2.289 . 0 0 "[ ]" 1
528 1 40 ALA MB 1 44 LEU H 5.513 . 9.160 4.419 4.419 4.419 . 0 0 "[ ]" 1
529 1 28 LYS H 1 28 LYS QB 2.276 . 2.898 2.259 2.259 2.259 . 0 0 "[ ]" 1
530 1 33 LYS QD 1 34 ASN HD22 3.967 2.079 5.855 2.829 2.829 2.829 . 0 0 "[ ]" 1
531 1 35 ALA MB 1 36 GLY H 3.003 . 4.085 3.749 3.749 3.749 . 0 0 "[ ]" 1
532 1 78 VAL H 1 78 VAL MG1 2.521 . 3.284 2.321 2.321 2.321 . 0 0 "[ ]" 1
533 1 44 LEU H 1 44 LEU HB3 2.946 . 3.988 3.667 3.667 3.667 . 0 0 "[ ]" 1
534 1 41 ALA H 1 41 ALA MB 2.362 . 3.031 2.282 2.282 2.282 . 0 0 "[ ]" 1
535 1 67 THR H 1 67 THR MG 2.606 . 3.421 2.607 2.607 2.607 . 0 0 "[ ]" 1
536 1 26 ALA H 1 29 GLU QB 3.779 2.065 5.493 2.187 2.187 2.187 . 0 0 "[ ]" 1
537 1 76 GLU H 1 76 GLU QB 2.182 . 2.753 2.343 2.343 2.343 . 0 0 "[ ]" 1
538 1 76 GLU QB 1 77 TRP H 2.861 . 3.843 2.942 2.942 2.942 . 0 0 "[ ]" 1
539 1 44 LEU HB2 1 45 ALA H 2.489 . 3.232 2.803 2.803 2.803 . 0 0 "[ ]" 1
540 1 60 PRO HB2 1 61 MET H 2.582 . 3.382 2.816 2.816 2.816 . 0 0 "[ ]" 1
541 1 16 HIS HD1 1 25 PRO HD2 3.706 2.058 5.354 3.431 3.431 3.431 . 0 0 "[ ]" 1
542 1 26 ALA H 1 29 GLU QG 3.234 . 4.489 2.321 2.321 2.321 . 0 0 "[ ]" 1
543 1 50 ASN H 1 51 GLY HA2 4.390 2.077 6.703 4.491 4.491 4.491 . 0 0 "[ ]" 1
544 1 6 LEU QB 1 7 PHE H 2.804 . 3.634 2.881 2.881 2.881 . 0 0 "[ ]" 1
545 1 21 LYS HB3 1 26 ALA H 3.770 2.065 5.475 4.924 4.924 4.924 . 0 0 "[ ]" 1
546 1 21 LYS H 1 21 LYS HB3 2.617 . 3.439 3.639 3.639 3.639 0.200 1 0 "[ ]" 1
547 1 75 ALA MB 1 76 GLU H 2.684 . 3.549 2.578 2.578 2.578 . 0 0 "[ ]" 1
548 1 17 SER H 1 22 MET QB 4.963 2.007 7.919 4.448 4.448 4.448 . 0 0 "[ ]" 1
549 1 77 TRP H 1 78 VAL MG1 3.879 2.074 5.684 4.334 4.334 4.334 . 0 0 "[ ]" 1
550 1 1 GLN QB 1 2 ASP H 2.788 . 3.721 3.062 3.062 3.062 . 0 0 "[ ]" 1
551 1 67 THR MG 1 69 GLU H 3.771 2.065 5.477 4.706 4.706 4.706 . 0 0 "[ ]" 1
552 1 55 VAL HB 1 56 TRP HD1 2.605 . 3.419 3.161 3.161 3.161 . 0 0 "[ ]" 1
553 1 33 LYS H 1 33 LYS HB2 2.313 . 2.955 2.476 2.476 2.476 . 0 0 "[ ]" 1
554 1 33 LYS HB2 1 34 ASN HD21 3.832 2.070 5.594 4.371 4.371 4.371 . 0 0 "[ ]" 1
555 1 37 VAL HB 1 40 ALA H 3.528 2.034 5.022 3.725 3.725 3.725 . 0 0 "[ ]" 1
556 1 33 LYS HB2 1 56 TRP HZ2 3.071 . 4.202 4.138 4.138 4.138 . 0 0 "[ ]" 1
557 1 69 GLU QG 1 70 GLU H 3.126 . 4.298 2.232 2.232 2.232 . 0 0 "[ ]" 1
558 1 37 VAL H 1 37 VAL HB 2.252 . 2.860 2.773 2.773 2.773 . 0 0 "[ ]" 1
559 1 53 GLN H 1 53 GLN HG2 3.929 2.076 5.782 3.355 3.355 3.355 . 0 0 "[ ]" 1
560 1 12 CYS H 1 12 CYS HB2 2.587 . 3.390 2.774 2.774 2.774 . 0 0 "[ ]" 1
561 1 12 CYS HB2 1 13 ALA H 2.323 . 2.971 2.600 2.600 2.600 . 0 0 "[ ]" 1
562 1 10 LYS H 1 10 LYS HB3 2.852 . 3.828 3.646 3.646 3.646 . 0 0 "[ ]" 1
563 1 72 LYS QB 1 73 ILE H 2.677 . 3.537 2.662 2.662 2.662 . 0 0 "[ ]" 1
564 1 33 LYS H 1 33 LYS HB3 2.322 . 2.969 2.725 2.725 2.725 . 0 0 "[ ]" 1
565 1 33 LYS HB3 1 34 ASN HD21 3.014 . 4.104 2.655 2.655 2.655 . 0 0 "[ ]" 1
566 1 33 LYS HB3 1 56 TRP HZ2 2.948 . 3.991 3.093 3.093 3.093 . 0 0 "[ ]" 1
567 1 53 GLN H 1 53 GLN HG3 3.484 2.027 4.941 4.223 4.223 4.223 . 0 0 "[ ]" 1
568 1 69 GLU QB 1 70 GLU H 2.893 . 3.897 3.563 3.563 3.563 . 0 0 "[ ]" 1
569 1 72 LYS H 1 72 LYS QB 2.007 . 2.490 2.341 2.341 2.341 . 0 0 "[ ]" 1
570 1 10 LYS H 1 10 LYS QG 2.714 . 3.598 2.661 2.661 2.661 . 0 0 "[ ]" 1
571 1 53 GLN H 1 53 GLN QB 3.051 . 4.168 2.634 2.634 2.634 . 0 0 "[ ]" 1
572 1 73 ILE H 1 73 ILE HB 2.149 . 2.703 2.555 2.555 2.555 . 0 0 "[ ]" 1
573 1 6 LEU H 1 6 LEU QB 2.706 . 3.585 2.223 2.223 2.223 . 0 0 "[ ]" 1
574 1 70 GLU H 1 70 GLU QG 3.307 . 4.619 2.457 2.457 2.457 . 0 0 "[ ]" 1
575 1 37 VAL H 1 40 ALA MB 3.640 2.050 5.230 3.335 3.335 3.335 . 0 0 "[ ]" 1
576 1 31 ALA H 1 31 ALA MB 2.334 . 2.988 2.296 2.296 2.296 . 0 0 "[ ]" 1
577 1 79 LEU HB2 1 80 SER H 4.018 2.081 5.955 2.461 2.461 2.461 . 0 0 "[ ]" 1
578 1 78 VAL MG2 1 79 LEU H 2.629 . 3.458 2.419 2.419 2.419 . 0 0 "[ ]" 1
579 1 10 LYS QD 1 12 CYS H 4.454 2.074 6.834 5.762 5.762 5.762 . 0 0 "[ ]" 1
580 1 10 LYS H 1 10 LYS QD 3.796 2.067 5.525 4.179 4.179 4.179 . 0 0 "[ ]" 1
581 1 48 ILE H 1 48 ILE HA 2.417 . 3.118 2.938 2.938 2.938 . 0 0 "[ ]" 1
582 1 67 THR MG 1 70 GLU H 3.867 2.073 5.661 4.575 4.575 4.575 . 0 0 "[ ]" 1
583 1 33 LYS HB2 1 34 ASN H 2.936 . 3.971 3.712 3.712 3.712 . 0 0 "[ ]" 1
584 1 33 LYS HB2 1 56 TRP HZ3 2.729 . 3.623 3.565 3.565 3.565 . 0 0 "[ ]" 1
585 1 33 LYS HB2 1 56 TRP HH2 2.424 . 3.129 2.223 2.223 2.223 . 0 0 "[ ]" 1
586 1 7 PHE QD 1 12 CYS HB2 2.806 . 3.751 2.936 2.936 2.936 . 0 0 "[ ]" 1
587 1 29 GLU H 1 29 GLU QB 2.830 . 3.791 2.463 2.463 2.463 . 0 0 "[ ]" 1
588 1 53 GLN HE21 1 53 GLN HG2 3.607 2.046 5.168 2.297 2.297 2.297 . 0 0 "[ ]" 1
589 1 30 VAL H 1 30 VAL HB 2.352 . 3.016 3.723 3.723 3.723 0.707 1 1 [+] 1
590 1 59 ILE H 1 59 ILE HB 2.351 . 3.014 2.633 2.633 2.633 . 0 0 "[ ]" 1
591 1 33 LYS HB3 1 34 ASN H 2.568 . 3.359 2.496 2.496 2.496 . 0 0 "[ ]" 1
592 1 33 LYS HB3 1 56 TRP HH2 2.649 . 3.491 2.257 2.257 2.257 . 0 0 "[ ]" 1
593 1 58 PRO HG2 1 59 ILE H 2.703 . 3.580 2.991 2.991 2.991 . 0 0 "[ ]" 1
594 1 51 GLY H 1 51 GLY HA2 2.472 . 3.205 2.643 2.643 2.643 . 0 0 "[ ]" 1
595 1 22 MET H 1 22 MET QG 3.157 . 4.353 3.166 3.166 3.166 . 0 0 "[ ]" 1
596 1 51 GLY HA2 1 52 SER H 2.565 . 3.355 2.325 2.325 2.325 . 0 0 "[ ]" 1
597 1 29 GLU H 1 29 GLU QG 2.461 . 3.188 2.307 2.307 2.307 . 0 0 "[ ]" 1
598 1 64 ASN HB3 1 64 ASN QD 2.799 2.063 3.739 3.374 3.374 3.374 . 0 0 "[ ]" 1
599 1 23 VAL H 1 23 VAL HB 2.550 . 3.330 3.838 3.838 3.838 0.508 1 1 [+] 1
600 1 64 ASN H 1 64 ASN HB3 2.963 . 4.017 3.620 3.620 3.620 . 0 0 "[ ]" 1
601 1 46 LEU H 1 46 LEU HB2 2.441 . 3.156 2.393 2.393 2.393 . 0 0 "[ ]" 1
602 1 46 LEU H 1 46 LEU HG 2.579 . 3.377 2.646 2.646 2.646 . 0 0 "[ ]" 1
603 1 22 MET H 1 22 MET QB 2.681 . 3.543 2.331 2.331 2.331 . 0 0 "[ ]" 1
604 1 22 MET QB 1 23 VAL H 2.401 . 3.093 2.279 2.279 2.279 . 0 0 "[ ]" 1
605 1 31 ALA MB 1 81 LEU H 2.762 2.080 3.678 3.458 3.458 3.458 . 0 0 "[ ]" 1
606 1 30 VAL H 1 31 ALA MB 3.575 2.041 5.109 4.448 4.448 4.448 . 0 0 "[ ]" 1
607 1 46 LEU H 1 46 LEU HB3 2.714 . 3.598 3.646 3.646 3.646 0.048 1 0 "[ ]" 1
608 1 46 LEU HB3 1 47 ALA H 3.223 . 4.469 3.829 3.829 3.829 . 0 0 "[ ]" 1
609 1 46 LEU HB3 1 50 ASN HD22 2.982 . 4.049 3.932 3.932 3.932 . 0 0 "[ ]" 1
610 1 46 LEU HB3 1 50 ASN HD21 3.254 . 4.524 2.955 2.955 2.955 . 0 0 "[ ]" 1
611 1 28 LYS QB 1 29 GLU H 3.033 . 4.137 2.767 2.767 2.767 . 0 0 "[ ]" 1
612 1 45 ALA MB 1 46 LEU H 2.707 . 3.586 2.586 2.586 2.586 . 0 0 "[ ]" 1
613 1 81 LEU H 1 81 LEU QB 2.437 . 3.150 2.377 2.377 2.377 . 0 0 "[ ]" 1
614 1 30 VAL H 1 30 VAL MG2 3.735 2.061 5.409 2.068 2.068 2.068 . 0 0 "[ ]" 1
615 1 82 LYS H 1 82 LYS QG 2.596 . 3.405 2.815 2.815 2.815 . 0 0 "[ ]" 1
616 1 49 LYS H 1 49 LYS QG 2.261 . 2.874 2.658 2.658 2.658 . 0 0 "[ ]" 1
617 1 7 PHE QE 1 12 CYS HB2 2.936 . 3.971 3.423 3.423 3.423 . 0 0 "[ ]" 1
618 1 7 PHE HZ 1 12 CYS HB2 4.067 2.082 6.052 4.523 4.523 4.523 . 0 0 "[ ]" 1
619 1 53 GLN HE22 1 53 GLN HG2 3.639 2.050 5.228 3.543 3.543 3.543 . 0 0 "[ ]" 1
620 1 23 VAL HB 1 24 GLY H 2.415 . 3.115 3.592 3.592 3.592 0.477 1 0 "[ ]" 1
621 1 15 CYS H 1 15 CYS HB3 2.987 . 4.058 3.716 3.716 3.716 . 0 0 "[ ]" 1
622 1 14 ALA MB 1 15 CYS H 2.733 . 3.630 2.466 2.466 2.466 . 0 0 "[ ]" 1
623 1 22 MET QB 1 24 GLY H 3.241 2.079 4.502 3.823 3.823 3.823 . 0 0 "[ ]" 1
624 1 4 GLU QG 1 77 TRP HH2 3.479 2.026 4.932 3.656 3.656 3.656 . 0 0 "[ ]" 1
625 1 4 GLU QB 1 77 TRP HH2 3.405 2.014 4.796 5.216 5.216 5.216 0.420 1 0 "[ ]" 1
626 1 77 TRP HH2 1 81 LEU QB 3.329 . 4.659 5.300 5.300 5.300 0.641 1 1 [+] 1
627 1 25 PRO HG3 1 56 TRP HE1 3.806 2.068 5.544 3.983 3.983 3.983 . 0 0 "[ ]" 1
628 1 55 VAL MG2 1 56 TRP H 3.324 . 4.650 2.121 2.121 2.121 . 0 0 "[ ]" 1
629 1 55 VAL H 1 55 VAL MG2 2.321 . 2.967 2.437 2.437 2.437 . 0 0 "[ ]" 1
630 1 44 LEU H 1 44 LEU QD 3.197 2.080 4.244 3.149 3.149 3.149 . 0 0 "[ ]" 1
631 1 27 LEU QB 1 28 LYS H 3.546 2.037 4.454 2.692 2.692 2.692 . 0 0 "[ ]" 1
632 1 37 VAL QG 1 39 GLY H 4.546 2.066 7.026 4.877 4.877 4.877 . 0 0 "[ ]" 1
633 1 36 GLY H 1 37 VAL QG 6.438 . 11.412 3.540 3.540 3.540 . 0 0 "[ ]" 1
634 1 34 ASN HD22 1 79 LEU MD2 5.718 . 9.642 4.984 4.984 4.984 . 0 0 "[ ]" 1
635 1 66 VAL MG1 1 67 THR H 3.551 2.038 5.064 3.984 3.984 3.984 . 0 0 "[ ]" 1
636 1 26 ALA MB 1 28 LYS H 2.943 . 3.982 2.819 2.819 2.819 . 0 0 "[ ]" 1
637 1 66 VAL MG2 1 67 THR H 3.181 . 4.395 2.690 2.690 2.690 . 0 0 "[ ]" 1
638 1 27 LEU HG 1 28 LYS H 4.629 2.058 7.200 4.546 4.546 4.546 . 0 0 "[ ]" 1
639 1 16 HIS QB 1 16 HIS HD1 2.970 . 4.029 2.612 2.612 2.612 . 0 0 "[ ]" 1
640 1 21 LYS QG 1 26 ALA H 3.191 . 4.413 2.517 2.517 2.517 . 0 0 "[ ]" 1
641 1 21 LYS H 1 21 LYS QG 3.345 2.003 4.687 2.602 2.602 2.602 . 0 0 "[ ]" 1
642 1 54 GLY H 1 55 VAL MG2 3.863 2.073 5.653 3.595 3.595 3.595 . 0 0 "[ ]" 1
643 1 25 PRO QB 1 26 ALA H 3.156 . 4.351 2.905 2.905 2.905 . 0 0 "[ ]" 1
644 1 26 ALA H 1 26 ALA MB 2.644 . 3.483 2.353 2.353 2.353 . 0 0 "[ ]" 1
645 1 16 HIS HD1 1 25 PRO QB 3.163 . 4.363 4.150 4.150 4.150 . 0 0 "[ ]" 1
646 1 17 SER H 1 27 LEU HG 5.739 . 9.691 4.342 4.342 4.342 . 0 0 "[ ]" 1
647 1 80 SER H 1 81 LEU HG 3.791 2.066 5.516 4.468 4.468 4.468 . 0 0 "[ ]" 1
648 1 79 LEU H 1 81 LEU HG 4.287 2.081 6.493 4.870 4.870 4.870 . 0 0 "[ ]" 1
649 1 13 ALA H 1 13 ALA MB 2.227 . 2.822 2.263 2.263 2.263 . 0 0 "[ ]" 1
650 1 47 ALA MB 1 48 ILE H 2.937 . 3.972 2.708 2.708 2.708 . 0 0 "[ ]" 1
651 1 13 ALA MB 1 14 ALA H 3.257 . 4.530 3.053 3.053 3.053 . 0 0 "[ ]" 1
652 1 53 GLN H 1 55 VAL MG2 3.282 . 4.575 3.490 3.490 3.490 . 0 0 "[ ]" 1
653 1 48 ILE H 1 48 ILE QG 2.709 2.080 3.590 2.091 2.091 2.091 . 0 0 "[ ]" 1
654 1 27 LEU H 1 27 LEU QB 2.368 . 3.041 2.437 2.437 2.437 . 0 0 "[ ]" 1
655 1 26 ALA MB 1 27 LEU H 3.064 . 4.191 2.440 2.440 2.440 . 0 0 "[ ]" 1
656 1 30 VAL MG1 1 34 ASN HD21 5.841 . 9.936 4.121 4.121 4.121 . 0 0 "[ ]" 1
657 1 27 LEU H 1 27 LEU HG 2.411 . 3.109 2.426 2.426 2.426 . 0 0 "[ ]" 1
658 1 25 PRO QB 1 56 TRP HE3 3.856 2.072 5.640 2.854 2.854 2.854 . 0 0 "[ ]" 1
659 1 80 SER H 1 81 LEU MD1 5.194 . 8.431 5.633 5.633 5.633 . 0 0 "[ ]" 1
660 1 25 PRO HG3 1 56 TRP HD1 3.301 . 4.609 2.960 2.960 2.960 . 0 0 "[ ]" 1
661 1 81 LEU H 1 81 LEU HG 2.463 . 3.191 2.657 2.657 2.657 . 0 0 "[ ]" 1
662 1 28 LYS QG 1 29 GLU H 3.489 2.028 4.950 4.055 4.055 4.055 . 0 0 "[ ]" 1
663 1 81 LEU HG 1 82 LYS H 3.863 2.072 5.654 4.699 4.699 4.699 . 0 0 "[ ]" 1
664 1 23 VAL H 1 23 VAL MG2 2.950 . 3.994 2.186 2.186 2.186 . 0 0 "[ ]" 1
665 1 59 ILE H 1 59 ILE MD 3.215 . 4.456 3.188 3.188 3.188 . 0 0 "[ ]" 1
666 1 47 ALA H 1 47 ALA MB 2.506 . 3.259 2.166 2.166 2.166 . 0 0 "[ ]" 1
667 1 47 ALA MB 1 51 GLY H 3.867 2.073 5.661 4.116 4.116 4.116 . 0 0 "[ ]" 1
668 1 81 LEU QB 1 82 LYS H 2.681 . 3.543 2.627 2.627 2.627 . 0 0 "[ ]" 1
669 1 27 LEU QB 1 30 VAL H 3.751 2.063 5.439 5.212 5.212 5.212 . 0 0 "[ ]" 1
670 1 46 LEU H 1 46 LEU MD1 3.094 . 4.243 3.448 3.448 3.448 . 0 0 "[ ]" 1
671 1 46 LEU MD2 1 50 ASN HD22 3.233 . 4.487 2.795 2.795 2.795 . 0 0 "[ ]" 1
672 1 46 LEU MD2 1 50 ASN HD21 3.231 . 4.484 2.909 2.909 2.909 . 0 0 "[ ]" 1
673 1 48 ILE MG 1 64 ASN QD 2.936 2.080 3.971 3.803 3.803 3.803 . 0 0 "[ ]" 1
674 1 26 ALA MB 1 29 GLU H 2.981 . 4.047 2.540 2.540 2.540 . 0 0 "[ ]" 1
675 1 16 HIS H 1 16 HIS HD2 3.572 2.041 5.103 2.996 2.996 2.996 . 0 0 "[ ]" 1
676 1 30 VAL H 1 30 VAL MG1 2.250 . 2.857 2.329 2.329 2.329 . 0 0 "[ ]" 1
677 1 29 GLU H 1 30 VAL MG1 3.855 2.071 5.639 4.460 4.460 4.460 . 0 0 "[ ]" 1
678 1 81 LEU H 1 81 LEU MD1 3.134 2.080 4.312 3.407 3.407 3.407 . 0 0 "[ ]" 1
679 1 15 CYS H 1 15 CYS HB2 2.689 . 3.556 2.518 2.518 2.518 . 0 0 "[ ]" 1
680 1 7 PHE QE 1 18 VAL MG1 3.138 . 4.320 3.147 3.147 3.147 . 0 0 "[ ]" 1
681 1 16 HIS HE1 1 24 GLY H 3.712 2.059 5.365 5.677 5.677 5.677 0.312 1 0 "[ ]" 1
682 1 7 PHE QE 1 27 LEU HG 3.665 2.053 5.277 3.441 3.441 3.441 . 0 0 "[ ]" 1
683 1 77 TRP HH2 1 81 LEU MD1 4.079 2.083 6.075 5.178 5.178 5.178 . 0 0 "[ ]" 1
684 1 77 TRP HE1 1 81 LEU MD2 4.247 2.082 6.412 3.843 3.843 3.843 . 0 0 "[ ]" 1
685 1 27 LEU MD1 1 28 LYS H 4.487 2.071 6.903 4.612 4.612 4.612 . 0 0 "[ ]" 1
686 1 78 VAL H 1 81 LEU MD2 4.220 2.083 6.357 4.293 4.293 4.293 . 0 0 "[ ]" 1
687 1 61 MET H 1 61 MET HB3 2.821 . 3.776 2.810 2.810 2.810 . 0 0 "[ ]" 1
688 1 25 PRO HG3 1 56 TRP HE3 4.477 2.072 6.882 4.679 4.679 4.679 . 0 0 "[ ]" 1
689 1 27 LEU H 1 27 LEU MD1 3.437 2.020 4.854 3.494 3.494 3.494 . 0 0 "[ ]" 1
690 1 25 PRO HG2 1 56 TRP HD1 3.593 2.044 5.142 4.545 4.545 4.545 . 0 0 "[ ]" 1
691 1 77 TRP HE3 1 81 LEU MD2 3.745 2.062 5.428 3.223 3.223 3.223 . 0 0 "[ ]" 1
692 1 27 LEU H 1 27 LEU MD2 3.331 . 4.663 3.720 3.720 3.720 . 0 0 "[ ]" 1
693 1 81 LEU MD2 1 82 LYS H 3.979 2.079 5.879 3.242 3.242 3.242 . 0 0 "[ ]" 1
694 1 77 TRP HD1 1 81 LEU MD2 4.947 2.010 7.884 4.396 4.396 4.396 . 0 0 "[ ]" 1
695 1 61 MET HG3 1 64 ASN QD 4.013 2.082 5.945 3.002 3.002 3.002 . 0 0 "[ ]" 1
696 1 52 SER H 1 61 MET HG3 3.644 2.050 5.238 5.574 5.574 5.574 0.336 1 0 "[ ]" 1
697 1 27 LEU MD2 1 30 VAL H 4.255 2.082 6.428 5.175 5.175 5.175 . 0 0 "[ ]" 1
698 1 7 PHE QD 1 27 LEU MD2 4.606 2.060 7.152 3.101 3.101 3.101 . 0 0 "[ ]" 1
699 1 52 SER H 1 61 MET HB3 2.705 . 3.583 2.575 2.575 2.575 . 0 0 "[ ]" 1
700 1 7 PHE HZ 1 27 LEU MD1 3.222 . 4.467 3.129 3.129 3.129 . 0 0 "[ ]" 1
701 1 7 PHE QE 1 27 LEU MD2 3.642 2.051 5.233 2.670 2.670 2.670 . 0 0 "[ ]" 1
702 1 27 LEU MD1 1 77 TRP HZ3 2.794 2.080 3.731 2.328 2.328 2.328 . 0 0 "[ ]" 1
703 1 77 TRP HZ3 1 81 LEU MD2 3.638 2.050 5.226 3.265 3.265 3.265 . 0 0 "[ ]" 1
704 1 27 LEU MD2 1 77 TRP HZ3 4.821 2.032 7.610 2.201 2.201 2.201 . 0 0 "[ ]" 1
705 1 61 MET H 1 61 MET HB2 2.858 . 3.838 3.012 3.012 3.012 . 0 0 "[ ]" 1
706 1 48 ILE H 1 61 MET ME 3.289 . 4.587 3.674 3.674 3.674 . 0 0 "[ ]" 1
707 1 52 SER H 1 61 MET HB2 2.974 . 4.036 4.036 4.036 4.036 . 0 0 "[ ]" 1
708 1 47 ALA H 1 61 MET ME 4.433 2.075 6.791 5.257 5.257 5.257 . 0 0 "[ ]" 1
709 1 61 MET ME 1 64 ASN QD 3.563 2.040 4.436 2.304 2.304 2.304 . 0 0 "[ ]" 1
710 1 52 SER H 1 61 MET ME 3.084 . 4.226 2.968 2.968 2.968 . 0 0 "[ ]" 1
711 1 61 MET HG2 1 64 ASN QD 4.769 2.058 5.342 2.342 2.342 2.342 . 0 0 "[ ]" 1
712 1 52 SER H 1 61 MET HG2 5.067 . 8.147 4.695 4.695 4.695 . 0 0 "[ ]" 1
713 1 10 LYS HA 1 11 PRO HD3 2.397 . 3.086 2.206 2.206 2.206 . 0 0 "[ ]" 1
714 1 53 GLN HA 1 60 PRO HA 2.708 . 3.588 3.597 3.597 3.597 0.009 1 0 "[ ]" 1
715 1 11 PRO HA 1 11 PRO HB3 2.638 . 3.473 2.304 2.304 2.304 . 0 0 "[ ]" 1
716 1 10 LYS HA 1 11 PRO QG 3.185 . 4.402 4.114 4.114 4.114 . 0 0 "[ ]" 1
717 1 10 LYS HA 1 10 LYS HB3 2.931 . 3.962 2.595 2.595 2.595 . 0 0 "[ ]" 1
718 1 66 VAL HA 1 70 GLU QB 3.850 2.071 5.629 3.235 3.235 3.235 . 0 0 "[ ]" 1
719 1 66 VAL HA 1 66 VAL HB 2.342 . 3.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
720 1 65 PRO HA 1 65 PRO HB2 2.376 . 3.054 2.768 2.768 2.768 . 0 0 "[ ]" 1
721 1 67 THR HB 1 67 THR MG 2.882 . 3.879 2.150 2.150 2.150 . 0 0 "[ ]" 1
722 1 66 VAL HA 1 66 VAL MG2 2.293 . 2.924 2.357 2.357 2.357 . 0 0 "[ ]" 1
723 1 66 VAL HA 1 66 VAL MG1 3.033 . 4.137 3.271 3.271 3.271 . 0 0 "[ ]" 1
724 1 58 PRO HA 1 58 PRO HD3 2.841 . 3.809 3.807 3.807 3.807 . 0 0 "[ ]" 1
725 1 59 ILE HA 1 60 PRO HD3 2.308 . 2.947 2.092 2.092 2.092 . 0 0 "[ ]" 1
726 1 59 ILE HA 1 60 PRO HD2 2.426 . 3.132 2.558 2.558 2.558 . 0 0 "[ ]" 1
727 1 57 GLY HA2 1 58 PRO HD3 2.538 . 3.311 2.463 2.463 2.463 . 0 0 "[ ]" 1
728 1 80 SER HA 1 80 SER HB2 2.633 . 3.465 3.051 3.051 3.051 . 0 0 "[ ]" 1
729 1 80 SER HA 1 80 SER HB3 2.454 . 3.177 2.519 2.519 2.519 . 0 0 "[ ]" 1
730 1 43 THR HA 1 43 THR HB 2.737 . 3.636 3.058 3.058 3.058 . 0 0 "[ ]" 1
731 1 57 GLY HA3 1 58 PRO HD2 3.182 . 4.397 2.386 2.386 2.386 . 0 0 "[ ]" 1
732 1 2 ASP HA 1 3 GLY QA 3.859 2.072 5.646 4.004 4.004 4.004 . 0 0 "[ ]" 1
733 1 56 TRP HA 1 56 TRP HB3 2.794 . 3.731 2.578 2.578 2.578 . 0 0 "[ ]" 1
734 1 57 GLY HA2 1 58 PRO HD2 2.938 . 3.974 3.176 3.176 3.176 . 0 0 "[ ]" 1
735 1 17 SER HA 1 17 SER HB3 2.448 . 3.167 2.825 2.825 2.825 . 0 0 "[ ]" 1
736 1 17 SER HA 1 17 SER HB2 2.633 . 3.465 2.937 2.937 2.937 . 0 0 "[ ]" 1
737 1 77 TRP HA 1 77 TRP HB2 2.540 . 3.314 2.536 2.536 2.536 . 0 0 "[ ]" 1
738 1 3 GLY QA 1 74 LEU HA 3.510 2.032 4.988 3.156 3.156 3.156 . 0 0 "[ ]" 1
739 1 62 PRO HA 1 63 PRO HD2 2.894 . 3.899 2.907 2.907 2.907 . 0 0 "[ ]" 1
740 1 34 ASN HA 1 34 ASN HB3 2.141 . 2.691 2.454 2.454 2.454 . 0 0 "[ ]" 1
741 1 2 ASP HA 1 2 ASP QB 2.338 . 2.994 2.195 2.195 2.195 . 0 0 "[ ]" 1
742 1 19 ASP HA 1 28 LYS QE 4.594 2.062 7.126 3.852 3.852 3.852 . 0 0 "[ ]" 1
743 1 49 LYS QE 1 67 THR HA 3.569 2.042 5.097 3.255 3.255 3.255 . 0 0 "[ ]" 1
744 1 50 ASN HA 1 50 ASN HB3 2.748 . 3.654 2.524 2.524 2.524 . 0 0 "[ ]" 1
745 1 17 SER HA 1 18 VAL HA 3.925 2.076 5.774 4.461 4.461 4.461 . 0 0 "[ ]" 1
746 1 7 PHE HA 1 7 PHE QB 3.196 . 3.682 2.438 2.438 2.438 . 0 0 "[ ]" 1
747 1 76 GLU HA 1 76 GLU QG 3.231 . 4.484 2.295 2.295 2.295 . 0 0 "[ ]" 1
748 1 10 LYS HB2 1 11 PRO HD2 2.733 . 3.629 3.792 3.792 3.792 0.163 1 0 "[ ]" 1
749 1 7 PHE QB 1 8 LYS HA 3.951 2.078 5.824 4.343 4.343 4.343 . 0 0 "[ ]" 1
750 1 24 GLY HA2 1 25 PRO HD3 2.787 . 3.719 2.871 2.871 2.871 . 0 0 "[ ]" 1
751 1 59 ILE HA 1 59 ILE HB 2.953 . 3.999 3.051 3.051 3.051 . 0 0 "[ ]" 1
752 1 59 ILE HA 1 60 PRO QG 4.224 2.083 6.365 3.969 3.969 3.969 . 0 0 "[ ]" 1
753 1 55 VAL HB 1 56 TRP HA 4.944 2.011 7.877 4.608 4.608 4.608 . 0 0 "[ ]" 1
754 1 19 ASP HA 1 19 ASP QB 2.894 . 3.899 2.433 2.433 2.433 . 0 0 "[ ]" 1
755 1 67 THR HA 1 68 GLU QG 3.466 2.025 4.907 4.061 4.061 4.061 . 0 0 "[ ]" 1
756 1 50 ASN HA 1 63 PRO HB2 2.776 . 3.701 4.044 4.044 4.044 0.343 1 0 "[ ]" 1
757 1 1 GLN HA 1 1 GLN HG3 2.508 . 3.263 2.643 2.643 2.643 . 0 0 "[ ]" 1
758 1 1 GLN HA 1 1 GLN HG2 2.980 . 4.046 3.706 3.706 3.706 . 0 0 "[ ]" 1
759 1 22 MET HA 1 22 MET QG 2.463 . 3.191 2.266 2.266 2.266 . 0 0 "[ ]" 1
760 1 53 GLN HA 1 53 GLN HG2 2.678 . 3.538 2.696 2.696 2.696 . 0 0 "[ ]" 1
761 1 37 VAL HA 1 37 VAL HB 2.308 . 2.947 3.061 3.061 3.061 0.114 1 0 "[ ]" 1
762 1 65 PRO QD 1 65 PRO QG 2.066 . 2.578 1.965 1.965 1.965 . 0 0 "[ ]" 1
763 1 24 GLY HA3 1 25 PRO HD2 2.361 . 3.030 2.270 2.270 2.270 . 0 0 "[ ]" 1
764 1 33 LYS QG 1 34 ASN HA 3.979 2.080 5.878 4.362 4.362 4.362 . 0 0 "[ ]" 1
765 1 59 ILE HA 1 59 ILE HG12 3.388 2.010 4.766 3.276 3.276 3.276 . 0 0 "[ ]" 1
766 1 59 ILE HA 1 59 ILE HG13 3.116 . 4.281 3.850 3.850 3.850 . 0 0 "[ ]" 1
767 1 19 ASP HA 1 28 LYS QD 2.557 . 3.342 2.756 2.756 2.756 . 0 0 "[ ]" 1
768 1 50 ASN HA 1 63 PRO HG3 2.973 . 4.034 4.137 4.137 4.137 0.103 1 0 "[ ]" 1
769 1 15 CYS HA 1 15 CYS HB2 2.801 . 3.743 3.032 3.032 3.032 . 0 0 "[ ]" 1
770 1 1 GLN HA 1 1 GLN QB 4.109 2.083 6.135 2.469 2.469 2.469 . 0 0 "[ ]" 1
771 1 35 ALA HA 1 35 ALA MB 2.130 . 2.674 2.155 2.155 2.155 . 0 0 "[ ]" 1
772 1 6 LEU HA 1 6 LEU QB 2.922 . 3.946 2.532 2.532 2.532 . 0 0 "[ ]" 1
773 1 32 ALA HA 1 32 ALA MB 2.068 . 2.581 2.155 2.155 2.155 . 0 0 "[ ]" 1
774 1 60 PRO HB3 1 60 PRO HD3 2.473 . 3.207 3.439 3.439 3.439 0.232 1 0 "[ ]" 1
775 1 82 LYS HA 1 82 LYS HB2 2.992 . 4.066 3.049 3.049 3.049 . 0 0 "[ ]" 1
776 1 71 ALA HA 1 71 ALA MB 2.128 . 2.671 2.154 2.154 2.154 . 0 0 "[ ]" 1
777 1 5 ALA HA 1 5 ALA MB 2.284 . 2.910 2.153 2.153 2.153 . 0 0 "[ ]" 1
778 1 23 VAL HA 1 23 VAL MG1 2.175 . 2.743 2.279 2.279 2.279 . 0 0 "[ ]" 1
779 1 46 LEU HA 1 46 LEU HG 2.421 . 3.125 2.741 2.741 2.741 . 0 0 "[ ]" 1
780 1 28 LYS HA 1 28 LYS QB 2.594 . 3.401 2.427 2.427 2.427 . 0 0 "[ ]" 1
781 1 62 PRO HD3 1 62 PRO QG 2.569 . 3.361 2.205 2.205 2.205 . 0 0 "[ ]" 1
782 1 59 ILE HA 1 59 ILE MG 2.447 . 3.165 2.397 2.397 2.397 . 0 0 "[ ]" 1
783 1 67 THR HA 1 67 THR MG 2.239 . 2.840 2.332 2.332 2.332 . 0 0 "[ ]" 1
784 1 74 LEU HA 1 78 VAL MG1 4.918 2.016 7.820 3.811 3.811 3.811 . 0 0 "[ ]" 1
785 1 17 SER HA 1 18 VAL MG1 3.336 . 4.672 3.668 3.668 3.668 . 0 0 "[ ]" 1
786 1 74 LEU HA 1 74 LEU MD1 2.279 . 2.902 2.370 2.370 2.370 . 0 0 "[ ]" 1
787 1 73 ILE MG 1 74 LEU HA 3.126 . 4.299 3.717 3.717 3.717 . 0 0 "[ ]" 1
788 1 43 THR HB 1 43 THR MG 2.291 . 2.921 2.158 2.158 2.158 . 0 0 "[ ]" 1
789 1 43 THR MG 1 44 LEU HA 3.261 . 4.537 3.981 3.981 3.981 . 0 0 "[ ]" 1
790 1 6 LEU HA 1 6 LEU QD 2.308 . 2.947 2.194 2.194 2.194 . 0 0 "[ ]" 1
791 1 16 HIS HA 1 22 MET QB 2.433 . 3.143 3.874 3.874 3.874 0.731 1 1 [+] 1
792 1 82 LYS HA 1 82 LYS QG 2.528 . 3.295 2.743 2.743 2.743 . 0 0 "[ ]" 1
793 1 44 LEU QD 1 75 ALA HA 3.007 . 4.092 3.442 3.442 3.442 . 0 0 "[ ]" 1
794 1 59 ILE MG 1 60 PRO HD2 2.528 . 3.295 2.364 2.364 2.364 . 0 0 "[ ]" 1
795 1 25 PRO QB 1 56 TRP HB2 2.537 . 3.309 3.360 3.360 3.360 0.051 1 0 "[ ]" 1
796 1 17 SER HB2 1 22 MET QB 2.366 . 3.038 3.537 3.537 3.537 0.499 1 0 "[ ]" 1
797 1 28 LYS HA 1 28 LYS QG 2.375 . 3.052 2.457 2.457 2.457 . 0 0 "[ ]" 1
798 1 48 ILE QG 1 49 LYS HA 3.213 . 4.452 3.816 3.816 3.816 . 0 0 "[ ]" 1
799 1 61 MET HA 1 61 MET HG3 2.916 . 3.936 2.549 2.549 2.549 . 0 0 "[ ]" 1
800 1 61 MET HA 1 61 MET HB2 2.801 . 3.742 2.554 2.554 2.554 . 0 0 "[ ]" 1
801 1 61 MET HA 1 61 MET HG2 2.724 . 3.614 2.845 2.845 2.845 . 0 0 "[ ]" 1
802 1 50 ASN HA 1 50 ASN HB2 2.927 . 3.955 3.048 3.048 3.048 . 0 0 "[ ]" 1
803 1 62 PRO HA 1 63 PRO HD3 2.154 . 2.711 2.415 2.415 2.415 . 0 0 "[ ]" 1
804 1 49 LYS QE 1 68 GLU HA 3.960 2.078 5.842 4.445 4.445 4.445 . 0 0 "[ ]" 1
805 1 52 SER HA 1 52 SER QB 2.533 . 3.303 2.401 2.401 2.401 . 0 0 "[ ]" 1
806 1 20 THR HA 1 28 LYS QE 2.514 . 3.272 4.704 4.704 4.704 1.432 1 1 [+] 1
807 1 64 ASN HB2 1 65 PRO QD 2.635 . 3.468 3.656 3.656 3.656 0.188 1 0 "[ ]" 1
808 1 71 ALA HA 1 74 LEU HB2 2.600 . 3.411 3.201 3.201 3.201 . 0 0 "[ ]" 1
809 1 61 MET HA 1 62 PRO HD2 2.606 . 3.421 2.434 2.434 2.434 . 0 0 "[ ]" 1
810 1 25 PRO HD3 1 56 TRP HB2 3.734 2.061 5.407 2.743 2.743 2.743 . 0 0 "[ ]" 1
811 1 70 GLU HA 1 70 GLU QB 2.358 . 3.025 2.422 2.422 2.422 . 0 0 "[ ]" 1
812 1 49 LYS QE 1 68 GLU QG 2.930 2.005 3.960 4.006 4.006 4.006 0.046 1 0 "[ ]" 1
813 1 78 VAL HA 1 78 VAL HB 2.813 . 3.763 2.492 2.492 2.492 . 0 0 "[ ]" 1
814 1 11 PRO HB3 1 11 PRO QG 1.954 . 2.412 2.230 2.230 2.230 . 0 0 "[ ]" 1
815 1 4 GLU HA 1 4 GLU QG 2.460 . 3.186 2.244 2.244 2.244 . 0 0 "[ ]" 1
816 1 34 ASN HB3 1 37 VAL HB 2.865 . 3.850 3.703 3.703 3.703 . 0 0 "[ ]" 1
817 1 63 PRO HA 1 63 PRO HB3 2.596 . 3.405 2.300 2.300 2.300 . 0 0 "[ ]" 1
818 1 46 LEU HG 1 49 LYS QE 4.421 2.076 6.766 6.906 6.906 6.906 0.140 1 0 "[ ]" 1
819 1 62 PRO HD2 1 62 PRO QG 2.500 . 3.250 2.195 2.195 2.195 . 0 0 "[ ]" 1
820 1 33 LYS QD 1 33 LYS QE 2.128 . 2.671 2.048 2.048 2.048 . 0 0 "[ ]" 1
821 1 7 PHE QB 1 8 LYS QG 4.488 2.071 6.905 3.141 3.141 3.141 . 0 0 "[ ]" 1
822 1 2 ASP QB 1 5 ALA MB 2.749 . 3.656 4.011 4.011 4.011 0.355 1 0 "[ ]" 1
823 1 28 LYS QB 1 28 LYS QE 3.209 . 4.444 2.181 2.181 2.181 . 0 0 "[ ]" 1
824 1 11 PRO HB3 1 14 ALA MB 4.918 2.015 7.821 4.001 4.001 4.001 . 0 0 "[ ]" 1
825 1 70 GLU QB 1 70 GLU QG 2.231 . 2.828 2.119 2.119 2.119 . 0 0 "[ ]" 1
826 1 47 ALA HA 1 47 ALA MB 2.215 . 2.804 2.142 2.142 2.142 . 0 0 "[ ]" 1
827 1 18 VAL HA 1 27 LEU QB . . 2.871 2.276 2.276 2.276 . 0 0 "[ ]" 1
828 1 46 LEU MD1 1 49 LYS QE 5.842 . 9.937 7.278 7.278 7.278 . 0 0 "[ ]" 1
829 1 49 LYS QE 1 49 LYS QG 2.864 . 3.434 2.234 2.234 2.234 . 0 0 "[ ]" 1
830 1 6 LEU QD 1 10 LYS QE 2.442 . 3.157 1.909 1.909 1.909 . 0 0 "[ ]" 1
831 1 21 LYS QE 1 21 LYS QG 3.241 . 4.501 2.193 2.193 2.193 . 0 0 "[ ]" 1
832 1 34 ASN HB2 1 79 LEU MD1 3.822 2.069 5.575 4.833 4.833 4.833 . 0 0 "[ ]" 1
833 1 34 ASN HB2 1 79 LEU MD2 2.445 . 3.162 2.263 2.263 2.263 . 0 0 "[ ]" 1
834 1 47 ALA MB 1 52 SER QB 2.895 . 2.973 3.499 3.499 3.499 0.526 1 1 [+] 1
835 1 52 SER QB 1 55 VAL MG2 4.112 2.083 6.141 2.059 2.059 2.059 0.024 1 0 "[ ]" 1
836 1 74 LEU HB2 1 74 LEU MD1 2.874 . 3.865 3.246 3.246 3.246 . 0 0 "[ ]" 1
837 1 74 LEU HB2 1 74 LEU MD2 2.209 . 2.795 2.349 2.349 2.349 . 0 0 "[ ]" 1
838 1 1 GLN HG3 1 6 LEU QD 2.443 . 3.159 3.313 3.313 3.313 0.154 1 0 "[ ]" 1
839 1 66 VAL HB 1 66 VAL MG2 2.062 . 2.572 2.150 2.150 2.150 . 0 0 "[ ]" 1
840 1 27 LEU HA 1 27 LEU MD2 2.391 . 3.077 2.121 2.121 2.121 . 0 0 "[ ]" 1
841 1 61 MET HG3 1 62 PRO HD2 3.134 . 4.312 2.591 2.591 2.591 . 0 0 "[ ]" 1
842 1 27 LEU MD2 1 78 VAL HA 3.659 2.053 5.265 2.942 2.942 2.942 . 0 0 "[ ]" 1
843 1 52 SER QB 1 61 MET HB3 3.310 . 4.625 3.215 3.215 3.215 . 0 0 "[ ]" 1
844 1 27 LEU MD2 1 78 VAL HB 4.664 2.053 7.275 3.449 3.449 3.449 . 0 0 "[ ]" 1
845 1 61 MET HB2 1 63 PRO HA 5.232 . 8.517 7.635 7.635 7.635 . 0 0 "[ ]" 1
846 1 61 MET HB2 1 62 PRO HD2 4.594 2.061 7.127 4.237 4.237 4.237 . 0 0 "[ ]" 1
847 1 52 SER QB 1 61 MET HB2 3.735 2.061 5.409 3.751 3.751 3.751 . 0 0 "[ ]" 1
848 1 61 MET HG2 1 62 PRO HD2 2.933 . 3.965 2.307 2.307 2.307 . 0 0 "[ ]" 1
849 1 19 ASP HA 1 28 LYS QB 3.999 2.080 5.918 2.258 2.258 2.258 . 0 0 "[ ]" 1
850 1 50 ASN HA 1 63 PRO HB3 3.155 . 4.350 2.568 2.568 2.568 . 0 0 "[ ]" 1
851 1 29 GLU HA 1 29 GLU QB 2.494 . 3.241 2.405 2.405 2.405 . 0 0 "[ ]" 1
852 1 30 VAL HA 1 30 VAL HB 2.332 . 2.984 2.502 2.502 2.502 . 0 0 "[ ]" 1
853 1 10 LYS HB3 1 11 PRO HD2 2.038 . 2.537 2.143 2.143 2.143 . 0 0 "[ ]" 1
854 1 69 GLU HA 1 72 LYS QB 1.900 . 2.333 2.910 2.910 2.910 0.577 1 1 [+] 1
855 1 62 PRO HA 1 62 PRO QB 1.963 . 2.425 2.204 2.204 2.204 . 0 0 "[ ]" 1
856 1 60 PRO HD2 1 60 PRO QG 2.361 . 3.030 2.202 2.202 2.202 . 0 0 "[ ]" 1
857 1 53 GLN HA 1 53 GLN HG3 2.921 . 3.945 3.766 3.766 3.766 . 0 0 "[ ]" 1
858 1 38 GLU HA 1 38 GLU QB 2.014 . 2.501 2.485 2.485 2.485 . 0 0 "[ ]" 1
859 1 58 PRO HD3 1 58 PRO HG2 2.820 . 3.774 2.947 2.947 2.947 . 0 0 "[ ]" 1
860 1 68 GLU HA 1 68 GLU QB 2.071 . 2.586 2.438 2.438 2.438 . 0 0 "[ ]" 1
861 1 74 LEU HA 1 74 LEU HG 2.893 . 3.897 3.677 3.677 3.677 . 0 0 "[ ]" 1
862 1 69 GLU HA 1 69 GLU QB 2.140 . 2.689 2.193 2.193 2.193 . 0 0 "[ ]" 1
863 1 53 GLN HA 1 53 GLN QB 2.419 . 3.121 2.442 2.442 2.442 . 0 0 "[ ]" 1
864 1 72 LYS HA 1 72 LYS QB 2.134 . 2.680 2.457 2.457 2.457 . 0 0 "[ ]" 1
865 1 15 CYS HA 1 15 CYS HB3 2.534 . 3.304 2.491 2.491 2.491 . 0 0 "[ ]" 1
866 1 74 LEU HA 1 74 LEU HB3 2.729 . 3.623 2.997 2.997 2.997 . 0 0 "[ ]" 1
867 1 72 LYS HA 1 72 LYS QG 2.157 . 2.716 2.339 2.339 2.339 . 0 0 "[ ]" 1
868 1 75 ALA HA 1 75 ALA MB 2.130 . 2.674 2.154 2.154 2.154 . 0 0 "[ ]" 1
869 1 41 ALA HA 1 75 ALA MB 2.198 . 2.778 2.344 2.344 2.344 . 0 0 "[ ]" 1
870 1 82 LYS HA 1 82 LYS HB3 1.974 . 2.442 2.538 2.538 2.538 0.096 1 0 "[ ]" 1
871 1 36 GLY HA2 1 79 LEU HB3 2.013 . 2.499 2.260 2.260 2.260 . 0 0 "[ ]" 1
872 1 43 THR HB 1 44 LEU HB2 3.443 2.021 4.865 4.994 4.994 4.994 0.129 1 0 "[ ]" 1
873 1 33 LYS HA 1 33 LYS QG 2.535 . 3.306 2.354 2.354 2.354 . 0 0 "[ ]" 1
874 1 22 MET HA 1 22 MET QB 2.654 . 3.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
875 1 43 THR HA 1 43 THR MG 2.130 . 2.674 2.347 2.347 2.347 . 0 0 "[ ]" 1
876 1 69 GLU QG 1 70 GLU HA 2.337 . 2.992 3.666 3.666 3.666 0.674 1 1 [+] 1
877 1 25 PRO HA 1 29 GLU QB 3.153 . 4.346 3.506 3.506 3.506 . 0 0 "[ ]" 1
878 1 58 PRO HD2 1 58 PRO HG3 2.691 . 3.560 2.823 2.823 2.823 . 0 0 "[ ]" 1
879 1 58 PRO HD2 1 58 PRO HG2 2.897 . 3.904 2.292 2.292 2.292 . 0 0 "[ ]" 1
880 1 60 PRO HB2 1 62 PRO HD3 3.335 2.001 4.669 5.060 5.060 5.060 0.391 1 0 "[ ]" 1
881 1 46 LEU HB3 1 47 ALA HA 3.339 2.002 4.676 4.534 4.534 4.534 . 0 0 "[ ]" 1
882 1 21 LYS HA 1 21 LYS HB2 2.523 . 3.287 3.045 3.045 3.045 . 0 0 "[ ]" 1
883 1 63 PRO HD2 1 63 PRO HG2 2.377 . 3.055 2.296 2.296 2.296 . 0 0 "[ ]" 1
884 1 70 GLU HA 1 70 GLU QG 2.555 . 3.338 2.350 2.350 2.350 . 0 0 "[ ]" 1
885 1 21 LYS HA 1 21 LYS HB3 2.700 . 3.575 2.579 2.579 2.579 . 0 0 "[ ]" 1
886 1 63 PRO HD2 1 63 PRO HG3 2.179 . 2.749 2.802 2.802 2.802 0.053 1 0 "[ ]" 1
887 1 58 PRO HD2 1 59 ILE HG13 3.641 2.051 5.231 4.811 4.811 4.811 . 0 0 "[ ]" 1
888 1 63 PRO HB3 1 63 PRO HD3 2.804 . 3.747 3.282 3.282 3.282 . 0 0 "[ ]" 1
889 1 77 TRP HB3 1 78 VAL MG1 2.788 . 3.721 3.385 3.385 3.385 . 0 0 "[ ]" 1
890 1 58 PRO HD2 1 59 ILE MG 4.349 2.079 6.619 5.592 5.592 5.592 . 0 0 "[ ]" 1
891 1 59 ILE MG 1 61 MET HA 3.819 2.068 5.570 4.409 4.409 4.409 . 0 0 "[ ]" 1
892 1 21 LYS HA 1 22 MET QB 3.844 2.070 5.618 4.326 4.326 4.326 . 0 0 "[ ]" 1
893 1 3 GLY QA 1 74 LEU MD1 2.928 . 3.957 3.692 3.692 3.692 . 0 0 "[ ]" 1
894 1 49 LYS HA 1 49 LYS QG 2.199 . 2.779 2.301 2.301 2.301 . 0 0 "[ ]" 1
895 1 10 LYS QE 1 10 LYS QG 2.398 . 3.088 2.288 2.288 2.288 . 0 0 "[ ]" 1
896 1 18 VAL HA 1 18 VAL HB 2.514 . 3.273 2.503 2.503 2.503 . 0 0 "[ ]" 1
897 1 82 LYS QD 1 82 LYS QE 2.168 . 2.732 2.047 2.047 2.047 . 0 0 "[ ]" 1
898 1 48 ILE HB 1 64 ASN QD 2.853 . 3.830 4.024 4.024 4.024 0.194 1 0 "[ ]" 1
899 1 10 LYS HB2 1 10 LYS QD 2.661 . 2.885 2.507 2.507 2.507 . 0 0 "[ ]" 1
900 1 49 LYS QD 1 49 LYS QE 2.215 . 2.804 2.119 2.119 2.119 . 0 0 "[ ]" 1
901 1 33 LYS QE 1 33 LYS QG 2.475 . 3.210 2.271 2.271 2.271 . 0 0 "[ ]" 1
902 1 53 GLN QB 1 53 GLN HG2 2.245 . 2.850 2.500 2.500 2.500 . 0 0 "[ ]" 1
903 1 10 LYS HB3 1 10 LYS QG 2.846 . 3.818 2.429 2.429 2.429 . 0 0 "[ ]" 1
904 1 4 GLU HA 1 4 GLU QB 2.125 . 2.667 2.557 2.557 2.557 . 0 0 "[ ]" 1
905 1 22 MET QB 1 22 MET QG 3.447 2.021 4.873 2.113 2.113 2.113 . 0 0 "[ ]" 1
906 1 34 ASN HB3 1 40 ALA MB 2.437 . 3.150 2.238 2.238 2.238 . 0 0 "[ ]" 1
907 1 10 LYS HB3 1 10 LYS QD 2.319 . 2.964 2.347 2.347 2.347 . 0 0 "[ ]" 1
908 1 21 LYS QD 1 29 GLU QG 2.216 . 2.805 3.355 3.355 3.355 0.550 1 1 [+] 1
909 1 78 VAL HB 1 78 VAL MG2 2.056 . 2.563 2.158 2.158 2.158 . 0 0 "[ ]" 1
910 1 30 VAL HB 1 30 VAL MG1 1.946 . 2.400 2.147 2.147 2.147 . 0 0 "[ ]" 1
911 1 69 GLU QB 1 69 GLU QG 2.908 . 3.923 2.124 2.124 2.124 . 0 0 "[ ]" 1
912 1 10 LYS QD 1 65 PRO QG 2.098 . 2.626 3.590 3.590 3.590 0.964 1 1 [+] 1
913 1 72 LYS QB 1 72 LYS QD 2.094 . 2.620 2.156 2.156 2.156 . 0 0 "[ ]" 1
914 1 10 LYS QD 1 10 LYS QG 2.029 . 2.523 2.120 2.120 2.120 . 0 0 "[ ]" 1
915 1 49 LYS QB 1 49 LYS QD 4.680 2.051 7.309 2.289 2.289 2.289 . 0 0 "[ ]" 1
916 1 49 LYS QD 1 49 LYS QG 2.054 . 2.561 2.053 2.053 2.053 . 0 0 "[ ]" 1
917 1 25 PRO QB 1 29 GLU QB 3.363 2.006 4.720 2.937 2.937 2.937 . 0 0 "[ ]" 1
918 1 59 ILE HB 1 59 ILE MG 2.192 . 2.769 2.150 2.150 2.150 . 0 0 "[ ]" 1
919 1 59 ILE HB 1 59 ILE MD 2.643 . 3.481 3.278 3.278 3.278 . 0 0 "[ ]" 1
920 1 74 LEU MD2 1 74 LEU HG 2.247 . 2.853 2.146 2.146 2.146 . 0 0 "[ ]" 1
921 1 23 VAL HB 1 23 VAL MG2 2.223 . 2.816 2.161 2.161 2.161 . 0 0 "[ ]" 1
922 1 18 VAL HB 1 18 VAL MG1 2.324 . 2.972 2.145 2.145 2.145 . 0 0 "[ ]" 1
923 1 28 LYS QB 1 28 LYS QG 2.226 . 2.821 2.115 2.115 2.115 . 0 0 "[ ]" 1
924 1 46 LEU HB2 1 46 LEU MD1 2.917 . 3.938 2.265 2.265 2.265 . 0 0 "[ ]" 1
925 1 55 VAL HB 1 55 VAL MG1 2.023 . 2.514 2.144 2.144 2.144 . 0 0 "[ ]" 1
926 1 30 VAL HB 1 30 VAL MG2 2.199 . 2.779 2.162 2.162 2.162 . 0 0 "[ ]" 1
927 1 30 VAL MG1 1 30 VAL MG2 2.525 . 3.290 2.101 2.101 2.101 . 0 0 "[ ]" 1
928 1 49 LYS QG 1 66 VAL MG1 2.343 . 3.001 2.019 2.019 2.019 . 0 0 "[ ]" 1
929 1 51 GLY HA2 1 61 MET HG3 3.893 2.074 5.712 5.818 5.818 5.818 0.106 1 0 "[ ]" 1
930 1 51 GLY HA2 1 61 MET HB2 4.275 2.082 6.468 5.215 5.215 5.215 . 0 0 "[ ]" 1
931 1 51 GLY HA2 1 61 MET ME 2.907 . 3.921 2.799 2.799 2.799 . 0 0 "[ ]" 1
932 1 48 ILE HA 1 61 MET ME 2.587 . 3.390 1.952 1.952 1.952 . 0 0 "[ ]" 1
933 1 51 GLY HA2 1 61 MET HG2 3.188 . 4.407 4.364 4.364 4.364 . 0 0 "[ ]" 1
934 1 74 LEU HA 1 74 LEU MD2 3.240 . 4.500 2.114 2.114 2.114 . 0 0 "[ ]" 1
935 1 15 CYS HA 1 23 VAL MG2 2.893 . 3.898 2.512 2.512 2.512 . 0 0 "[ ]" 1
936 1 44 LEU HA 1 44 LEU QD 2.328 . 2.978 2.220 2.220 2.220 . 0 0 "[ ]" 1
937 1 73 ILE HA 1 73 ILE QG 2.212 . 2.799 2.516 2.516 2.516 . 0 0 "[ ]" 1
938 1 13 ALA HA 1 13 ALA MB 2.361 . 3.030 2.150 2.150 2.150 . 0 0 "[ ]" 1
939 1 44 LEU HA 1 47 ALA MB 2.179 . 2.749 2.354 2.354 2.354 . 0 0 "[ ]" 1
940 1 81 LEU HA 1 81 LEU QB 2.572 . 3.366 2.435 2.435 2.435 . 0 0 "[ ]" 1
941 1 45 ALA HA 1 48 ILE MD 3.083 . 4.223 2.741 2.741 2.741 . 0 0 "[ ]" 1
942 1 21 LYS HA 1 21 LYS QG 2.274 . 2.894 2.413 2.413 2.413 . 0 0 "[ ]" 1
943 1 27 LEU HA 1 27 LEU QB . . 2.830 2.434 2.434 2.434 . 0 0 "[ ]" 1
944 1 26 ALA HA 1 26 ALA MB 2.297 . 2.930 2.158 2.158 2.158 . 0 0 "[ ]" 1
945 1 21 LYS HA 1 26 ALA MB 3.063 . 4.189 2.477 2.477 2.477 . 0 0 "[ ]" 1
946 1 55 VAL HA 1 55 VAL MG1 2.438 . 3.151 2.249 2.249 2.249 . 0 0 "[ ]" 1
947 1 27 LEU HA 1 30 VAL MG2 2.796 . 3.734 2.079 2.079 2.079 . 0 0 "[ ]" 1
948 1 27 LEU HA 1 27 LEU HG 3.096 . 4.246 2.849 2.849 2.849 . 0 0 "[ ]" 1
949 1 28 LYS QE 1 28 LYS QG 2.811 . 3.759 2.295 2.295 2.295 . 0 0 "[ ]" 1
950 1 12 CYS HB3 1 16 HIS QB 2.839 . 3.806 3.523 3.523 3.523 . 0 0 "[ ]" 1
951 1 25 PRO QB 1 25 PRO HD3 2.587 2.075 3.390 3.161 3.161 3.161 . 0 0 "[ ]" 1
952 1 78 VAL HA 1 78 VAL MG1 2.490 . 3.234 2.374 2.374 2.374 . 0 0 "[ ]" 1
953 1 18 VAL HA 1 18 VAL MG1 2.104 . 2.635 2.353 2.353 2.353 . 0 0 "[ ]" 1
954 1 49 LYS QE 1 66 VAL MG1 3.725 2.060 5.248 3.291 3.291 3.291 . 0 0 "[ ]" 1
955 1 18 VAL HA 1 27 LEU HG 2.991 . 4.064 3.361 3.361 3.361 . 0 0 "[ ]" 1
956 1 18 VAL HA 1 81 LEU MD1 5.127 . 8.282 4.831 4.831 4.831 . 0 0 "[ ]" 1
957 1 78 VAL HA 1 81 LEU MD1 3.675 2.054 5.296 3.489 3.489 3.489 . 0 0 "[ ]" 1
958 1 21 LYS QG 1 29 GLU QG 3.108 . 4.267 2.243 2.243 2.243 . 0 0 "[ ]" 1
959 1 55 VAL HB 1 55 VAL MG2 2.092 . 2.617 2.157 2.157 2.157 . 0 0 "[ ]" 1
960 1 25 PRO QB 1 55 VAL HB 3.730 2.060 5.400 6.637 6.637 6.637 1.237 1 1 [+] 1
961 1 78 VAL HB 1 78 VAL MG1 2.001 . 2.482 2.143 2.143 2.143 . 0 0 "[ ]" 1
962 1 26 ALA MB 1 29 GLU QB 2.603 . 3.416 3.068 3.068 3.068 . 0 0 "[ ]" 1
963 1 66 VAL HB 1 66 VAL MG1 2.232 . 2.830 2.139 2.139 2.139 . 0 0 "[ ]" 1
964 1 25 PRO QB 1 25 PRO HD2 3.987 2.079 5.895 3.529 3.529 3.529 . 0 0 "[ ]" 1
965 1 23 VAL MG1 1 23 VAL MG2 2.390 . 3.076 2.098 2.098 2.098 . 0 0 "[ ]" 1
966 1 21 LYS HB2 1 21 LYS QG 2.256 . 2.867 2.435 2.435 2.435 . 0 0 "[ ]" 1
967 1 59 ILE MD 1 59 ILE HG13 2.456 . 3.180 2.158 2.158 2.158 . 0 0 "[ ]" 1
968 1 44 LEU HB2 1 44 LEU QD 2.312 . 2.953 2.213 2.213 2.213 . 0 0 "[ ]" 1
969 1 6 LEU QD 1 6 LEU HG 2.105 . 2.637 1.923 1.923 1.923 . 0 0 "[ ]" 1
970 1 46 LEU HB3 1 46 LEU MD2 2.062 . 2.572 2.295 2.295 2.295 . 0 0 "[ ]" 1
971 1 18 VAL HB 1 81 LEU MD1 5.956 . 10.213 5.235 5.235 5.235 . 0 0 "[ ]" 1
972 1 31 ALA MB 1 81 LEU MD1 3.836 2.070 5.602 2.099 2.099 2.099 . 0 0 "[ ]" 1
973 1 81 LEU QB 1 81 LEU MD1 3.429 2.018 4.374 2.124 2.124 2.124 . 0 0 "[ ]" 1
974 1 55 VAL MG1 1 55 VAL MG2 2.222 . 2.814 2.098 2.098 2.098 . 0 0 "[ ]" 1
975 1 27 LEU QB 1 27 LEU MD2 2.682 . 3.545 2.274 2.274 2.274 . 0 0 "[ ]" 1
976 1 27 LEU MD2 1 27 LEU HG 2.316 . 2.959 2.166 2.166 2.166 . 0 0 "[ ]" 1
977 1 48 ILE MG 1 61 MET ME 3.293 . 4.594 2.181 2.181 2.181 . 0 0 "[ ]" 1
978 1 26 ALA HA 1 27 LEU MD1 4.722 2.047 7.397 5.248 5.248 5.248 . 0 0 "[ ]" 1
979 1 27 LEU HA 1 27 LEU MD1 3.927 2.077 5.777 3.887 3.887 3.887 . 0 0 "[ ]" 1
980 1 27 LEU HA 1 81 LEU MD2 3.732 2.061 5.403 3.986 3.986 3.986 . 0 0 "[ ]" 1
981 1 18 VAL HA 1 27 LEU MD1 2.957 . 4.006 2.139 2.139 2.139 . 0 0 "[ ]" 1
982 1 25 PRO HD3 1 25 PRO HG2 2.874 . 3.865 2.946 2.946 2.946 . 0 0 "[ ]" 1
983 1 25 PRO HD2 1 25 PRO HG2 2.828 . 3.788 2.297 2.297 2.297 . 0 0 "[ ]" 1
984 1 78 VAL HB 1 81 LEU MD2 3.304 . 4.614 4.364 4.364 4.364 . 0 0 "[ ]" 1
985 1 27 LEU QB 1 27 LEU MD1 2.746 . 3.651 2.139 2.139 2.139 . 0 0 "[ ]" 1
986 1 81 LEU MD2 1 81 LEU HG 2.343 . 3.002 2.163 2.163 2.163 . 0 0 "[ ]" 1
987 1 27 LEU QB 1 81 LEU MD2 2.861 . 3.843 2.332 2.332 2.332 . 0 0 "[ ]" 1
988 1 81 LEU QB 1 81 LEU MD2 2.426 . 3.132 2.245 2.245 2.245 . 0 0 "[ ]" 1
989 1 27 LEU MD1 1 27 LEU MD2 2.359 . 3.027 2.093 2.093 2.093 . 0 0 "[ ]" 1
990 1 61 MET HB3 1 61 MET HG3 2.918 . 3.940 3.044 3.044 3.044 . 0 0 "[ ]" 1
991 1 61 MET HB3 1 61 MET ME 2.479 . 3.217 2.025 2.025 2.025 . 0 0 "[ ]" 1
992 1 61 MET HB2 1 61 MET ME 2.732 . 3.628 3.181 3.181 3.181 . 0 0 "[ ]" 1
993 1 61 MET HB2 1 61 MET HG2 2.969 . 4.027 3.049 3.049 3.049 . 0 0 "[ ]" 1
994 1 61 MET ME 1 61 MET HG2 3.075 . 4.210 2.456 2.456 2.456 . 0 0 "[ ]" 1
995 1 10 LYS HA 1 11 PRO HD2 2.714 . 3.598 2.846 2.846 2.846 . 0 0 "[ ]" 1
996 1 64 ASN HA 1 65 PRO QD 2.678 . 3.539 2.121 2.121 2.121 . 0 0 "[ ]" 1
997 1 39 GLY HA3 1 40 ALA H 2.255 . 2.865 2.801 2.801 2.801 . 0 0 "[ ]" 1
998 1 50 ASN HA 1 50 ASN HD21 4.494 2.071 6.917 3.961 3.961 3.961 . 0 0 "[ ]" 1
999 1 27 LEU H 1 29 GLU H 3.428 2.018 4.838 4.139 4.139 4.139 . 0 0 "[ ]" 1
1000 1 67 THR HA 1 68 GLU H 3.252 . 4.521 2.676 2.676 2.676 . 0 0 "[ ]" 1
1001 1 75 ALA HA 1 78 VAL H 2.915 . 3.935 3.746 3.746 3.746 . 0 0 "[ ]" 1
1002 1 1 GLN HA 1 2 ASP H 3.186 . 4.404 3.556 3.556 3.556 . 0 0 "[ ]" 1
1003 1 80 SER HB2 1 81 LEU H 4.639 2.056 7.222 4.546 4.546 4.546 . 0 0 "[ ]" 1
1004 1 2 ASP QB 1 3 GLY H 2.625 . 3.452 2.616 2.616 2.616 . 0 0 "[ ]" 1
1005 1 42 ASP QB 1 43 THR H 2.987 . 4.058 2.703 2.703 2.703 . 0 0 "[ ]" 1
1006 1 7 PHE QB 1 8 LYS H 2.552 . 3.334 2.799 2.799 2.799 . 0 0 "[ ]" 1
1007 1 12 CYS H 1 12 CYS HB3 2.954 . 4.001 3.825 3.825 3.825 . 0 0 "[ ]" 1
1008 1 70 GLU H 1 70 GLU QB 2.577 . 3.374 2.418 2.418 2.418 . 0 0 "[ ]" 1
1009 1 65 PRO HB3 1 66 VAL H 3.244 . 4.507 4.430 4.430 4.430 . 0 0 "[ ]" 1
1010 1 77 TRP HB3 1 77 TRP HD1 2.864 . 3.848 3.890 3.890 3.890 0.042 1 0 "[ ]" 1
1011 1 7 PHE QB 1 7 PHE QD 2.405 . 3.099 2.182 2.182 2.182 . 0 0 "[ ]" 1
1012 1 7 PHE QB 1 77 TRP HZ3 3.301 2.034 4.608 2.965 2.965 2.965 . 0 0 "[ ]" 1
1013 1 68 GLU H 1 68 GLU QB 2.552 . 3.334 2.415 2.415 2.415 . 0 0 "[ ]" 1
1014 1 67 THR H 1 70 GLU QG 3.203 . 4.434 3.396 3.396 3.396 . 0 0 "[ ]" 1
1015 1 40 ALA MB 1 41 ALA H 2.899 . 3.907 2.629 2.629 2.629 . 0 0 "[ ]" 1
1016 1 60 PRO HB3 1 61 MET H 3.274 . 4.560 3.648 3.648 3.648 . 0 0 "[ ]" 1
1017 1 74 LEU H 1 74 LEU MD1 2.992 . 4.066 4.384 4.384 4.384 0.318 1 0 "[ ]" 1
1018 1 67 THR MG 1 68 GLU H 3.206 . 4.440 3.596 3.596 3.596 . 0 0 "[ ]" 1
1019 1 43 THR MG 1 44 LEU H 3.423 2.017 4.829 3.796 3.796 3.796 . 0 0 "[ ]" 1
1020 1 69 GLU H 1 69 GLU QB 2.713 . 3.596 2.690 2.690 2.690 . 0 0 "[ ]" 1
1021 1 68 GLU QB 1 69 GLU H 2.657 . 3.504 2.575 2.575 2.575 . 0 0 "[ ]" 1
1022 1 69 GLU H 1 69 GLU QG 2.555 2.080 3.338 2.112 2.112 2.112 . 0 0 "[ ]" 1
1023 1 53 GLN QB 1 54 GLY H 3.158 . 4.355 3.702 3.702 3.702 . 0 0 "[ ]" 1
1024 1 49 LYS QB 1 50 ASN H 2.947 . 3.989 2.850 2.850 2.850 . 0 0 "[ ]" 1
1025 1 8 LYS H 1 8 LYS QG 2.678 . 3.539 2.642 2.642 2.642 . 0 0 "[ ]" 1
1026 1 8 LYS H 1 8 LYS QB 2.929 . 3.958 2.400 2.400 2.400 . 0 0 "[ ]" 1
1027 1 40 ALA H 1 40 ALA MB 2.478 . 3.215 2.278 2.278 2.278 . 0 0 "[ ]" 1
1028 1 32 ALA H 1 32 ALA MB 2.419 . 3.121 2.285 2.285 2.285 . 0 0 "[ ]" 1
1029 1 74 LEU MD1 1 77 TRP HE3 4.635 2.057 7.213 2.924 2.924 2.924 . 0 0 "[ ]" 1
1030 1 82 LYS H 1 82 LYS HB2 3.097 . 4.248 2.506 2.506 2.506 . 0 0 "[ ]" 1
1031 1 33 LYS QD 1 56 TRP HH2 2.803 2.080 3.746 2.806 2.806 2.806 . 0 0 "[ ]" 1
1032 1 63 PRO HB3 1 64 ASN H 3.137 . 4.318 4.289 4.289 4.289 . 0 0 "[ ]" 1
1033 1 77 TRP HZ3 1 78 VAL MG1 3.039 . 4.148 3.651 3.651 3.651 . 0 0 "[ ]" 1
1034 1 55 VAL MG1 1 56 TRP HE1 3.254 . 4.524 4.990 4.990 4.990 0.466 1 0 "[ ]" 1
1035 1 30 VAL MG1 1 56 TRP HE1 3.707 2.058 5.356 3.286 3.286 3.286 . 0 0 "[ ]" 1
1036 1 55 VAL MG1 1 56 TRP H 3.791 2.067 5.515 4.205 4.205 4.205 . 0 0 "[ ]" 1
1037 1 55 VAL H 1 55 VAL MG1 3.596 2.044 5.148 3.475 3.475 3.475 . 0 0 "[ ]" 1
1038 1 37 VAL MG1 1 38 GLU H 2.524 . 3.288 2.434 2.434 2.434 . 0 0 "[ ]" 1
1039 1 16 HIS QB 1 17 SER H 2.981 . 4.048 2.548 2.548 2.548 . 0 0 "[ ]" 1
1040 1 79 LEU H 1 79 LEU MD1 2.960 . 4.011 3.516 3.516 3.516 . 0 0 "[ ]" 1
1041 1 37 VAL H 1 37 VAL QG 2.364 . 3.034 2.647 2.647 2.647 . 0 0 "[ ]" 1
1042 1 18 VAL MG1 1 19 ASP H 3.360 2.006 4.714 4.176 4.176 4.176 . 0 0 "[ ]" 1
1043 1 18 VAL MG2 1 19 ASP H 3.013 . 4.102 2.370 2.370 2.370 . 0 0 "[ ]" 1
1044 1 66 VAL H 1 66 VAL MG1 2.325 . 2.974 2.402 2.402 2.402 . 0 0 "[ ]" 1
1045 1 30 VAL MG1 1 56 TRP HZ2 2.833 . 3.796 2.791 2.791 2.791 . 0 0 "[ ]" 1
1046 1 16 HIS H 1 16 HIS QB 3.248 . 4.514 2.404 2.404 2.404 . 0 0 "[ ]" 1
1047 1 77 TRP HZ2 1 81 LEU MD2 3.966 2.079 5.853 3.342 3.342 3.342 . 0 0 "[ ]" 1
1048 1 81 LEU HA 1 81 LEU MD2 3.203 . 4.434 2.204 2.204 2.204 . 0 0 "[ ]" 1
1049 1 52 SER QB 1 61 MET ME 2.811 . 3.759 3.483 3.483 3.483 . 0 0 "[ ]" 1
1050 1 44 LEU QD 1 56 TRP HE1 5.777 . 9.782 3.495 3.495 3.495 . 0 0 "[ ]" 1
1051 1 77 TRP HE1 1 81 LEU HG 6.303 . 11.071 6.139 6.139 6.139 . 0 0 "[ ]" 1
1052 1 61 MET H 1 61 MET HG2 4.720 2.047 7.393 4.603 4.603 4.603 . 0 0 "[ ]" 1
1053 1 27 LEU MD2 1 28 LYS H 4.790 2.036 7.544 4.852 4.852 4.852 . 0 0 "[ ]" 1
1054 1 27 LEU MD1 1 78 VAL H 5.287 . 8.642 6.646 6.646 6.646 . 0 0 "[ ]" 1
1055 1 69 GLU H 1 72 LYS QD 4.930 2.014 7.846 4.934 4.934 4.934 . 0 0 "[ ]" 1
1056 1 28 LYS H 1 29 GLU QG 5.044 . 8.097 4.251 4.251 4.251 . 0 0 "[ ]" 1
1057 1 28 LYS H 1 29 GLU QB 4.736 2.045 7.427 4.760 4.760 4.760 . 0 0 "[ ]" 1
1058 1 18 VAL H 1 19 ASP QB 4.978 2.004 7.952 4.471 4.471 4.471 . 0 0 "[ ]" 1
1059 1 50 ASN H 1 61 MET ME 4.641 2.056 7.226 4.903 4.903 4.903 . 0 0 "[ ]" 1
1060 1 17 SER H 1 27 LEU MD2 4.582 2.063 7.101 5.460 5.460 5.460 . 0 0 "[ ]" 1
1061 1 26 ALA H 1 27 LEU MD2 5.854 . 9.966 6.517 6.517 6.517 . 0 0 "[ ]" 1
1062 1 46 LEU MD2 1 50 ASN H 4.637 2.057 7.217 4.912 4.912 4.912 . 0 0 "[ ]" 1
1063 1 17 SER H 1 26 ALA MB 5.283 . 8.632 3.427 3.427 3.427 . 0 0 "[ ]" 1
1064 1 50 ASN H 1 66 VAL MG1 5.147 . 8.326 5.347 5.347 5.347 . 0 0 "[ ]" 1
1065 1 7 PHE H 1 74 LEU MD2 4.455 2.073 6.837 3.723 3.723 3.723 . 0 0 "[ ]" 1
1066 1 50 ASN H 1 63 PRO HA 4.489 2.071 6.907 4.228 4.228 4.228 . 0 0 "[ ]" 1
1067 1 1 GLN HA 1 7 PHE H 4.301 2.081 6.521 7.318 7.318 7.318 0.797 1 1 [+] 1
1068 1 9 SER H 1 10 LYS HA 4.155 2.084 6.226 5.409 5.409 5.409 . 0 0 "[ ]" 1
1069 1 34 ASN HB2 1 40 ALA H 4.267 2.082 6.452 6.767 6.767 6.767 0.315 1 0 "[ ]" 1
1070 1 78 VAL HA 1 80 SER H 4.948 2.011 7.885 4.827 4.827 4.827 . 0 0 "[ ]" 1
1071 1 78 VAL HB 1 80 SER H 4.895 2.019 7.771 6.101 6.101 6.101 . 0 0 "[ ]" 1
1072 1 70 GLU H 1 73 ILE MD 4.939 2.012 7.866 4.395 4.395 4.395 . 0 0 "[ ]" 1
1073 1 66 VAL MG2 1 70 GLU H 4.964 2.007 7.921 3.918 3.918 3.918 . 0 0 "[ ]" 1
1074 1 79 LEU H 1 81 LEU MD1 4.659 2.055 7.263 5.679 5.679 5.679 . 0 0 "[ ]" 1
1075 1 32 ALA H 1 81 LEU MD1 4.968 2.006 7.930 4.977 4.977 4.977 . 0 0 "[ ]" 1
1076 1 27 LEU MD2 1 77 TRP HE3 4.927 2.014 7.840 3.145 3.145 3.145 . 0 0 "[ ]" 1
1077 1 25 PRO HG3 1 56 TRP HZ2 5.342 . 8.766 5.527 5.527 5.527 . 0 0 "[ ]" 1
1078 1 25 PRO HG2 1 56 TRP HZ2 4.929 2.013 7.845 6.167 6.167 6.167 . 0 0 "[ ]" 1
1079 1 80 SER H 1 81 LEU MD2 4.144 2.083 6.205 5.063 5.063 5.063 . 0 0 "[ ]" 1
1080 1 44 LEU QD 1 79 LEU H 3.979 2.079 5.879 4.136 4.136 4.136 . 0 0 "[ ]" 1
1081 1 12 CYS H 1 13 ALA MB 5.113 . 8.250 3.882 3.882 3.882 . 0 0 "[ ]" 1
1082 1 34 ASN HA 1 34 ASN HD21 4.764 2.041 7.487 4.103 4.103 4.103 . 0 0 "[ ]" 1
1083 1 44 LEU QD 1 56 TRP HZ2 4.166 2.084 6.248 3.834 3.834 3.834 . 0 0 "[ ]" 1
1084 1 51 GLY H 1 61 MET HG2 4.586 2.062 7.110 6.764 6.764 6.764 . 0 0 "[ ]" 1
1085 1 77 TRP HE3 1 78 VAL HB 3.827 2.070 5.584 5.237 5.237 5.237 . 0 0 "[ ]" 1
1086 1 25 PRO QB 1 56 TRP HZ3 3.844 2.071 5.617 4.094 4.094 4.094 . 0 0 "[ ]" 1
1087 1 27 LEU QB 1 29 GLU H 4.314 2.080 6.548 4.738 4.738 4.738 . 0 0 "[ ]" 1
1088 1 47 ALA MB 1 52 SER H 5.515 . 9.165 4.128 4.128 4.128 . 0 0 "[ ]" 1
1089 1 25 PRO QB 1 56 TRP HH2 4.133 2.084 6.182 4.751 4.751 4.751 . 0 0 "[ ]" 1
1090 1 23 VAL H 1 24 GLY HA2 4.486 2.071 6.901 4.702 4.702 4.702 . 0 0 "[ ]" 1
1091 1 25 PRO HG2 1 56 TRP HH2 4.747 2.043 7.451 7.111 7.111 7.111 . 0 0 "[ ]" 1
1092 1 61 MET ME 1 64 ASN H 4.585 2.062 7.108 3.576 3.576 3.576 . 0 0 "[ ]" 1
1093 1 18 VAL HA 1 29 GLU H 4.940 2.012 7.868 6.370 6.370 6.370 . 0 0 "[ ]" 1
1094 1 53 GLN HE21 1 60 PRO HD2 4.496 2.071 6.921 6.110 6.110 6.110 . 0 0 "[ ]" 1
1095 1 7 PHE HA 1 7 PHE QE 3.705 2.058 5.352 4.526 4.526 4.526 . 0 0 "[ ]" 1
1096 1 24 GLY H 1 25 PRO HD3 4.394 2.078 6.710 4.819 4.819 4.819 . 0 0 "[ ]" 1
1097 1 7 PHE HZ 1 27 LEU MD2 4.511 2.069 6.953 3.880 3.880 3.880 . 0 0 "[ ]" 1
1098 1 27 LEU MD2 1 77 TRP HH2 4.442 2.074 6.810 3.705 3.705 3.705 . 0 0 "[ ]" 1
1099 1 18 VAL HA 1 77 TRP HH2 4.579 2.063 7.095 5.478 5.478 5.478 . 0 0 "[ ]" 1
1100 1 25 PRO HA 1 25 PRO HG2 3.206 . 4.440 4.000 4.000 4.000 . 0 0 "[ ]" 1
1101 1 59 ILE MG 1 60 PRO HA 4.485 2.071 6.899 4.286 4.286 4.286 . 0 0 "[ ]" 1
1102 1 34 ASN HA 1 79 LEU HB3 4.048 2.082 6.014 6.171 6.171 6.171 0.157 1 0 "[ ]" 1
1103 1 72 LYS HA 1 72 LYS QE 5.151 . 8.334 4.802 4.802 4.802 . 0 0 "[ ]" 1
1104 1 25 PRO HA 1 56 TRP HA 4.943 2.011 7.875 6.075 6.075 6.075 . 0 0 "[ ]" 1
1105 1 55 VAL HA 1 56 TRP HA 4.128 2.083 6.173 4.676 4.676 4.676 . 0 0 "[ ]" 1
1106 1 43 THR HB 1 47 ALA HA 4.707 2.048 7.366 7.452 7.452 7.452 0.086 1 0 "[ ]" 1
1107 1 34 ASN H 1 34 ASN HD22 3.553 2.038 5.068 3.922 3.922 3.922 . 0 0 "[ ]" 1
1108 1 78 VAL HA 1 81 LEU MD2 2.634 . 3.466 2.407 2.407 2.407 . 0 0 "[ ]" 1
1109 1 4 GLU QG 1 77 TRP HZ2 2.617 . 3.439 2.097 2.097 2.097 . 0 0 "[ ]" 1
1110 1 4 GLU QB 1 77 TRP HZ2 2.833 . 3.796 3.666 3.666 3.666 . 0 0 "[ ]" 1
1111 1 16 HIS HD1 1 24 GLY HA3 4.778 2.038 7.518 4.737 4.737 4.737 . 0 0 "[ ]" 1
1112 1 25 PRO QB 1 56 TRP HD1 3.834 2.070 5.598 4.130 4.130 4.130 . 0 0 "[ ]" 1
1113 1 77 TRP HH2 1 81 LEU MD2 3.787 2.066 5.508 3.283 3.283 3.283 . 0 0 "[ ]" 1
1114 1 61 MET ME 1 62 PRO HD3 4.298 2.081 6.515 5.410 5.410 5.410 . 0 0 "[ ]" 1
1115 1 27 LEU MD2 1 78 VAL MG1 2.865 . 3.850 2.163 2.163 2.163 . 0 0 "[ ]" 1
1116 1 27 LEU MD2 1 30 VAL MG2 4.074 2.082 6.066 2.812 2.812 2.812 . 0 0 "[ ]" 1
1117 1 7 PHE HE1 1 77 TRP HH2 5.000 . 8.000 5.922 5.922 5.922 . 0 0 "[ ]" 1
1118 1 7 PHE QE 1 17 SER HA 4.000 2.080 5.920 3.915 3.915 3.915 . 0 0 "[ ]" 1
1119 1 66 VAL H 1 66 VAL HB 3.000 . 4.080 3.343 3.343 3.343 . 0 0 "[ ]" 1
1120 1 3 GLY HA3 1 7 PHE H 5.000 . 8.000 4.888 4.888 4.888 . 0 0 "[ ]" 1
1121 1 2 ASP HA 1 5 ALA H 5.000 . 8.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
1122 1 4 GLU QG 1 77 TRP HE1 4.000 2.080 5.920 3.429 3.429 3.429 . 0 0 "[ ]" 1
1123 1 44 LEU H 1 75 ALA MB 5.000 . 8.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
1124 1 18 VAL H 1 18 VAL HB 3.000 . 4.080 3.748 3.748 3.748 . 0 0 "[ ]" 1
1125 1 45 ALA H 1 75 ALA MB 5.000 . 8.000 3.441 3.441 3.441 . 0 0 "[ ]" 1
1126 1 33 LYS QD 1 56 TRP HZ2 4.000 2.080 5.920 2.918 2.918 2.918 . 0 0 "[ ]" 1
1127 1 30 VAL MG2 1 56 TRP HZ2 5.000 . 8.000 5.016 5.016 5.016 . 0 0 "[ ]" 1
1128 1 29 GLU QG 1 30 VAL H 4.000 2.080 5.920 4.093 4.093 4.093 . 0 0 "[ ]" 1
1129 1 7 PHE QE 1 18 VAL HB 5.000 . 8.000 5.960 5.960 5.960 . 0 0 "[ ]" 1
1130 1 18 VAL HB 1 77 TRP HH2 5.000 . 8.000 5.751 5.751 5.751 . 0 0 "[ ]" 1
1131 1 28 LYS H 1 28 LYS QG 4.000 2.080 5.920 4.021 4.021 4.021 . 0 0 "[ ]" 1
1132 1 34 ASN HD22 1 44 LEU QD 4.000 2.080 5.920 3.772 3.772 3.772 . 0 0 "[ ]" 1
1133 1 66 VAL MG1 1 71 ALA H 4.000 2.080 5.920 4.350 4.350 4.350 . 0 0 "[ ]" 1
1134 1 48 ILE MG 1 71 ALA H 5.000 . 8.000 7.209 7.209 7.209 . 0 0 "[ ]" 1
1135 1 6 LEU H 1 6 LEU MD1 4.000 2.080 5.920 3.705 3.705 3.705 . 0 0 "[ ]" 1
1136 1 6 LEU H 1 6 LEU MD2 4.000 2.080 5.920 4.439 4.439 4.439 . 0 0 "[ ]" 1
1137 1 27 LEU MD1 1 77 TRP HH2 4.000 2.080 5.920 2.283 2.283 2.283 . 0 0 "[ ]" 1
1138 1 61 MET H 1 61 MET ME 4.000 2.080 5.920 4.412 4.412 4.412 . 0 0 "[ ]" 1
1139 1 51 GLY H 1 61 MET ME 4.000 2.080 5.920 4.212 4.212 4.212 . 0 0 "[ ]" 1
1140 1 27 LEU MD2 1 30 VAL HB 4.000 2.080 5.920 5.272 5.272 5.272 . 0 0 "[ ]" 1
1141 1 27 LEU MD2 1 28 LYS HB2 5.000 . 8.000 6.574 6.574 6.574 . 0 0 "[ ]" 1
1142 1 16 HIS QB 1 27 LEU MD1 4.000 2.080 5.920 4.120 4.120 4.120 . 0 0 "[ ]" 1
1143 1 68 GLU QG 1 69 GLU H 4.000 2.080 5.920 4.201 4.201 4.201 . 0 0 "[ ]" 1
1144 1 37 VAL MG2 1 40 ALA H 5.000 . 8.000 5.198 5.198 5.198 . 0 0 "[ ]" 1
1145 1 18 VAL MG1 1 77 TRP HH2 5.000 . 8.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
1146 1 28 LYS HA 1 81 LEU MD1 5.000 . 8.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
1147 1 18 VAL MG1 1 77 TRP HZ3 5.000 . 8.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
1148 1 28 LYS H 1 81 LEU MD2 5.000 . 8.000 5.289 5.289 5.289 . 0 0 "[ ]" 1
1149 1 18 VAL H 1 27 LEU MD2 5.000 . 8.000 6.499 6.499 6.499 . 0 0 "[ ]" 1
1150 1 47 ALA HA 1 61 MET ME 5.000 . 8.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
1151 1 18 VAL HA 1 81 LEU MD2 5.000 . 8.000 5.065 5.065 5.065 . 0 0 "[ ]" 1
1152 1 18 VAL HB 1 81 LEU MD2 5.000 . 8.000 5.487 5.487 5.487 . 0 0 "[ ]" 1
1153 1 78 VAL HB 1 79 LEU H 3.000 . 4.080 3.970 3.970 3.970 . 0 0 "[ ]" 1
1154 1 28 LYS HA 1 81 LEU MD2 5.000 . 8.000 5.213 5.213 5.213 . 0 0 "[ ]" 1
1155 1 27 LEU MD1 1 78 VAL HA 5.000 . 8.000 4.924 4.924 4.924 . 0 0 "[ ]" 1
1156 1 61 MET ME 1 64 ASN HB2 5.000 . 8.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
1157 1 50 ASN HB3 1 61 MET ME 5.000 . 8.000 6.835 6.835 6.835 . 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 30
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 3.765
_Distance_constraint_stats_list.Viol_max 1.638
_Distance_constraint_stats_list.Viol_rms 0.3294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1255
_Distance_constraint_stats_list.Viol_average_violations_only 0.3765
_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 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 GLY 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.752 0.752 1 1 [+]
1 5 ALA 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.000 0.000 . 0 "[ ]"
1 8 LYS 0.752 0.752 1 1 [+]
1 9 SER 0.000 0.000 . 0 "[ ]"
1 10 LYS 0.000 0.000 . 0 "[ ]"
1 12 CYS 0.000 0.000 . 0 "[ ]"
1 16 HIS 0.000 0.000 . 0 "[ ]"
1 26 ALA 0.062 0.062 1 0 "[ ]"
1 27 LEU 0.100 0.100 1 0 "[ ]"
1 28 LYS 0.000 0.000 . 0 "[ ]"
1 29 GLU 0.058 0.058 1 0 "[ ]"
1 30 VAL 0.062 0.062 1 0 "[ ]"
1 31 ALA 0.100 0.100 1 0 "[ ]"
1 32 ALA 0.000 0.000 . 0 "[ ]"
1 33 LYS 0.058 0.058 1 0 "[ ]"
1 34 ASN 0.000 0.000 . 0 "[ ]"
1 39 GLY 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 ASP 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 44 LEU 0.255 0.255 1 0 "[ ]"
1 45 ALA 0.358 0.358 1 0 "[ ]"
1 46 LEU 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.255 0.255 1 0 "[ ]"
1 49 LYS 0.358 0.358 1 0 "[ ]"
1 50 ASN 0.000 0.000 . 0 "[ ]"
1 56 TRP 1.638 1.638 1 1 [+]
1 67 THR 0.000 0.000 . 0 "[ ]"
1 68 GLU 0.108 0.108 1 0 "[ ]"
1 69 GLU 0.235 0.235 1 0 "[ ]"
1 70 GLU 0.000 0.000 . 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.108 0.108 1 0 "[ ]"
1 73 ILE 0.235 0.235 1 0 "[ ]"
1 74 LEU 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.202 0.202 1 0 "[ ]"
1 76 GLU 0.000 0.000 . 0 "[ ]"
1 77 TRP 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 79 LEU 0.202 0.202 1 0 "[ ]"
1 80 SER 0.000 0.000 . 0 "[ ]"
2 1 HEC 1.638 1.638 1 1 [+]
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 2 ASP O 1 6 LEU N 2.850 2.600 3.100 2.818 2.818 2.818 . 0 0 "[ ]" 2
2 1 3 GLY O 1 7 PHE N 2.850 2.600 3.100 3.072 3.072 3.072 . 0 0 "[ ]" 2
3 1 4 GLU O 1 8 LYS N 2.850 2.600 3.100 3.852 3.852 3.852 0.752 1 1 [+] 2
4 1 5 ALA O 1 9 SER N 2.850 2.600 3.100 2.929 2.929 2.929 . 0 0 "[ ]" 2
5 1 6 LEU O 1 10 LYS N 2.850 2.600 3.100 2.868 2.868 2.868 . 0 0 "[ ]" 2
6 1 12 CYS O 1 16 HIS N 2.850 2.600 3.100 2.991 2.991 2.991 . 0 0 "[ ]" 2
7 1 26 ALA O 1 30 VAL N 2.850 2.600 3.100 3.162 3.162 3.162 0.062 1 0 "[ ]" 2
8 1 27 LEU O 1 31 ALA N 2.850 2.600 3.100 3.200 3.200 3.200 0.100 1 0 "[ ]" 2
9 1 28 LYS O 1 32 ALA N 2.850 2.600 3.100 3.062 3.062 3.062 . 0 0 "[ ]" 2
10 1 29 GLU O 1 33 LYS N 2.850 2.600 3.100 3.158 3.158 3.158 0.058 1 0 "[ ]" 2
11 1 30 VAL O 1 34 ASN N 2.850 2.600 3.100 3.066 3.066 3.066 . 0 0 "[ ]" 2
12 1 39 GLY O 1 43 THR N 2.850 2.600 3.100 2.999 2.999 2.999 . 0 0 "[ ]" 2
13 1 40 ALA O 1 44 LEU N 2.850 2.600 3.100 2.822 2.822 2.822 . 0 0 "[ ]" 2
14 1 41 ALA O 1 45 ALA N 2.850 2.600 3.100 3.034 3.034 3.034 . 0 0 "[ ]" 2
15 1 42 ASP O 1 46 LEU N 2.850 2.600 3.100 2.928 2.928 2.928 . 0 0 "[ ]" 2
16 1 43 THR O 1 47 ALA N 2.850 2.600 3.100 2.960 2.960 2.960 . 0 0 "[ ]" 2
17 1 44 LEU O 1 48 ILE N 2.850 2.600 3.100 3.355 3.355 3.355 0.255 1 0 "[ ]" 2
18 1 45 ALA O 1 49 LYS N 2.850 2.600 3.100 3.458 3.458 3.458 0.358 1 0 "[ ]" 2
19 1 46 LEU O 1 50 ASN N 2.850 2.600 3.100 2.957 2.957 2.957 . 0 0 "[ ]" 2
20 1 67 THR O 1 71 ALA N 2.850 2.600 3.100 2.955 2.955 2.955 . 0 0 "[ ]" 2
21 1 68 GLU O 1 72 LYS N 2.850 2.600 3.100 3.208 3.208 3.208 0.108 1 0 "[ ]" 2
22 1 69 GLU O 1 73 ILE N 2.850 2.600 3.100 3.335 3.335 3.335 0.235 1 0 "[ ]" 2
23 1 70 GLU O 1 74 LEU N 2.850 2.600 3.100 2.896 2.896 2.896 . 0 0 "[ ]" 2
24 1 71 ALA O 1 75 ALA N 2.850 2.600 3.100 2.917 2.917 2.917 . 0 0 "[ ]" 2
25 1 72 LYS O 1 76 GLU N 2.850 2.600 3.100 3.071 3.071 3.071 . 0 0 "[ ]" 2
26 1 73 ILE O 1 77 TRP N 2.850 2.600 3.100 3.058 3.058 3.058 . 0 0 "[ ]" 2
27 1 74 LEU O 1 78 VAL N 2.850 2.600 3.100 3.042 3.042 3.042 . 0 0 "[ ]" 2
28 1 75 ALA O 1 79 LEU N 2.850 2.600 3.100 3.302 3.302 3.302 0.202 1 0 "[ ]" 2
29 1 76 GLU O 1 80 SER N 2.850 2.600 3.100 3.021 3.021 3.021 . 0 0 "[ ]" 2
30 1 56 TRP NE1 2 1 HEC O1A 2.850 2.600 3.100 4.738 4.738 4.738 1.638 1 1 [+] 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 5:50:02 AM GMT (wattos1)