NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409087 |
1z8s   |
6716 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z8s
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 968
_Distance_constraint_stats_list.Viol_count 1266
_Distance_constraint_stats_list.Viol_total 861.642
_Distance_constraint_stats_list.Viol_max 0.449
_Distance_constraint_stats_list.Viol_rms 0.0330
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0681
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LYS 0.025 0.025 10 0 "[ . 1]"
1 5 LEU 0.263 0.092 9 0 "[ . 1]"
1 6 LEU 0.148 0.042 2 0 "[ . 1]"
1 7 PRO 0.111 0.042 2 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 PHE 0.137 0.041 10 0 "[ . 1]"
1 10 GLN 0.020 0.010 3 0 "[ . 1]"
1 11 ASN 0.137 0.041 10 0 "[ . 1]"
1 12 ALA 1.023 0.235 8 0 "[ . 1]"
1 13 GLU 0.000 0.000 . 0 "[ . 1]"
1 14 ARG 0.081 0.037 6 0 "[ . 1]"
1 15 LEU 1.144 0.250 9 0 "[ . 1]"
1 16 LEU 3.846 0.306 8 0 "[ . 1]"
1 17 LEU 1.315 0.145 9 0 "[ . 1]"
1 18 ALA 0.935 0.112 9 0 "[ . 1]"
1 19 HIS 0.207 0.035 10 0 "[ . 1]"
1 20 MET 4.986 0.239 3 0 "[ . 1]"
1 21 MET 4.514 0.267 1 0 "[ . 1]"
1 22 ARG 1.412 0.239 3 0 "[ . 1]"
1 23 SER 0.826 0.137 8 0 "[ . 1]"
1 24 ARG 0.837 0.176 5 0 "[ . 1]"
1 25 ASP 1.477 0.178 10 0 "[ . 1]"
1 26 VAL 2.019 0.178 10 0 "[ . 1]"
1 27 ALA 0.481 0.114 7 0 "[ . 1]"
1 28 LEU 1.356 0.165 6 0 "[ . 1]"
1 29 VAL 1.875 0.306 8 0 "[ . 1]"
1 30 VAL 2.992 0.181 5 0 "[ . 1]"
1 31 GLN 0.822 0.122 6 0 "[ . 1]"
1 32 GLU 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 0.302 0.063 9 0 "[ . 1]"
1 34 ILE 5.160 0.182 9 0 "[ . 1]"
1 35 GLY 0.449 0.092 9 0 "[ . 1]"
1 42 GLU 0.565 0.109 5 0 "[ . 1]"
1 43 HIS 1.590 0.332 7 0 "[ . 1]"
1 44 ARG 0.000 0.000 . 0 "[ . 1]"
1 45 ALA 1.237 0.154 7 0 "[ . 1]"
1 46 LEU 0.000 0.000 . 0 "[ . 1]"
1 47 ALA 2.556 0.182 9 0 "[ . 1]"
1 48 ALA 1.466 0.232 6 0 "[ . 1]"
1 49 TYR 7.289 0.449 7 0 "[ . 1]"
1 50 ILE 0.000 0.000 . 0 "[ . 1]"
1 51 TYR 0.343 0.067 4 0 "[ . 1]"
1 52 ALA 0.004 0.004 5 0 "[ . 1]"
1 53 PHE 1.478 0.392 5 0 "[ . 1]"
1 54 TYR 1.074 0.122 6 0 "[ . 1]"
1 55 GLU 0.017 0.017 9 0 "[ . 1]"
1 56 GLU 0.581 0.116 8 0 "[ . 1]"
1 57 GLY 0.147 0.065 10 0 "[ . 1]"
1 58 HIS 1.460 0.176 5 0 "[ . 1]"
1 59 GLU 0.313 0.072 1 0 "[ . 1]"
1 60 ALA 0.907 0.164 8 0 "[ . 1]"
1 61 ASP 0.089 0.047 3 0 "[ . 1]"
1 62 PRO 0.000 0.000 . 0 "[ . 1]"
1 63 GLY 0.487 0.118 4 0 "[ . 1]"
1 64 ALA 0.823 0.178 2 0 "[ . 1]"
1 65 LEU 2.467 0.178 2 0 "[ . 1]"
1 66 ILE 2.516 0.213 3 0 "[ . 1]"
1 67 SER 0.063 0.027 7 0 "[ . 1]"
1 68 ARG 1.523 0.279 9 0 "[ . 1]"
1 69 ILE 6.321 0.332 7 0 "[ . 1]"
1 70 PRO 0.910 0.135 2 0 "[ . 1]"
1 71 GLY 0.148 0.060 6 0 "[ . 1]"
1 72 GLU 0.043 0.043 9 0 "[ . 1]"
1 73 LEU 6.309 0.393 10 0 "[ . 1]"
1 74 GLN 0.875 0.095 10 0 "[ . 1]"
1 76 LEU 1.044 0.232 10 0 "[ . 1]"
1 77 ALA 1.189 0.126 9 0 "[ . 1]"
1 78 SER 0.201 0.050 8 0 "[ . 1]"
1 79 GLU 0.000 0.000 . 0 "[ . 1]"
1 80 LEU 2.649 0.250 9 0 "[ . 1]"
1 81 SER 1.385 0.188 9 0 "[ . 1]"
1 82 LEU 1.583 0.240 3 0 "[ . 1]"
1 83 LEU 3.799 0.206 1 0 "[ . 1]"
1 84 LEU 1.513 0.192 6 0 "[ . 1]"
1 85 ILE 4.659 0.267 1 0 "[ . 1]"
1 86 ALA 1.263 0.146 6 0 "[ . 1]"
1 87 ASP 0.170 0.057 8 0 "[ . 1]"
1 88 ASP 1.380 0.246 3 0 "[ . 1]"
1 89 VAL 4.479 0.340 4 0 "[ . 1]"
1 90 SER 3.472 0.251 4 0 "[ . 1]"
1 91 GLU 1.420 0.251 4 0 "[ . 1]"
1 92 GLN 0.000 0.000 . 0 "[ . 1]"
1 93 GLU 0.569 0.082 10 0 "[ . 1]"
1 94 LEU 0.360 0.055 8 0 "[ . 1]"
1 95 GLU 0.070 0.058 4 0 "[ . 1]"
1 96 ASP 2.379 0.211 7 0 "[ . 1]"
1 97 TYR 6.205 0.340 4 0 "[ . 1]"
1 98 ILE 2.991 0.164 5 0 "[ . 1]"
1 99 ARG 0.000 0.000 . 0 "[ . 1]"
1 100 HIS 0.251 0.081 4 0 "[ . 1]"
1 101 VAL 0.341 0.069 3 0 "[ . 1]"
1 102 LEU 0.532 0.215 9 0 "[ . 1]"
1 107 TRP 1.769 0.215 9 0 "[ . 1]"
1 108 LEU 0.941 0.165 4 0 "[ . 1]"
1 109 MET 0.430 0.081 10 0 "[ . 1]"
1 110 LEU 3.169 0.240 8 0 "[ . 1]"
1 111 LYS 0.285 0.097 6 0 "[ . 1]"
1 112 VAL 2.026 0.165 9 0 "[ . 1]"
1 113 LYS 0.271 0.097 6 0 "[ . 1]"
1 114 GLU 1.350 0.166 10 0 "[ . 1]"
1 115 GLN 1.890 0.166 10 0 "[ . 1]"
1 116 GLU 3.019 0.433 3 0 "[ . 1]"
1 117 LYS 0.000 0.000 . 0 "[ . 1]"
1 118 THR 2.972 0.355 10 0 "[ . 1]"
1 119 GLU 0.000 0.000 . 0 "[ . 1]"
1 120 ALA 1.470 0.149 2 0 "[ . 1]"
1 121 GLU 1.064 0.143 1 0 "[ . 1]"
1 122 ARG 0.107 0.051 2 0 "[ . 1]"
1 123 ARG 0.000 0.000 . 0 "[ . 1]"
1 124 LYS 1.216 0.197 9 0 "[ . 1]"
1 125 ASP 0.320 0.216 7 0 "[ . 1]"
1 126 PHE 0.000 0.000 . 0 "[ . 1]"
1 127 LEU 0.000 0.000 . 0 "[ . 1]"
1 128 THR 0.000 0.000 . 0 "[ . 1]"
1 129 ALA 0.000 0.000 . 0 "[ . 1]"
1 130 ALA 0.000 0.000 . 0 "[ . 1]"
1 131 ARG 0.935 0.216 7 0 "[ . 1]"
1 132 ILE 5.142 0.433 3 0 "[ . 1]"
1 133 ALA 0.158 0.037 2 0 "[ . 1]"
1 134 LYS 0.000 0.000 . 0 "[ . 1]"
1 135 GLU 0.000 0.000 . 0 "[ . 1]"
1 136 MET 4.224 0.355 10 0 "[ . 1]"
1 137 ILE 1.305 0.208 8 0 "[ . 1]"
1 138 GLU 1.683 0.137 4 0 "[ . 1]"
1 139 MET 1.274 0.256 10 0 "[ . 1]"
1 140 LYS 0.659 0.240 8 0 "[ . 1]"
1 141 LYS 0.521 0.055 8 0 "[ . 1]"
1 142 MET 2.026 0.152 9 0 "[ . 1]"
1 143 LEU 0.846 0.122 9 0 "[ . 1]"
1 144 SER 0.000 0.000 . 0 "[ . 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 4 LYS HA 1 5 LEU H 3.500 . 3.500 2.489 2.136 3.525 0.025 10 0 "[ . 1]" 1
2 1 5 LEU HA 1 5 LEU QD 3.500 . 3.500 2.709 1.925 3.437 . 0 0 "[ . 1]" 1
3 1 5 LEU HA 1 5 LEU HG 3.500 . 3.500 2.698 2.176 3.592 0.092 9 0 "[ . 1]" 1
4 1 5 LEU H 1 5 LEU QD 5.000 . 5.000 3.289 2.424 3.944 . 0 0 "[ . 1]" 1
5 1 5 LEU HA 1 6 LEU H 3.500 . 3.500 2.459 2.142 3.538 0.038 1 0 "[ . 1]" 1
6 1 6 LEU HA 1 6 LEU QD 3.500 . 3.500 2.546 1.958 3.428 . 0 0 "[ . 1]" 1
7 1 6 LEU H 1 6 LEU QD 5.000 . 5.000 3.277 1.972 3.922 . 0 0 "[ . 1]" 1
8 1 6 LEU H 1 6 LEU HG 5.000 . 5.000 3.807 2.180 4.883 . 0 0 "[ . 1]" 1
9 1 6 LEU HA 1 7 PRO QG 5.000 . 5.000 4.303 3.819 5.042 0.042 2 0 "[ . 1]" 1
10 1 6 LEU HA 1 7 PRO QD 5.000 . 5.000 2.505 1.909 3.484 . 0 0 "[ . 1]" 1
11 1 6 LEU QD 1 7 PRO QD 5.000 . 5.000 3.254 2.166 4.256 . 0 0 "[ . 1]" 1
12 1 8 ALA H 1 8 ALA MB 3.500 . 3.500 2.485 2.094 2.896 . 0 0 "[ . 1]" 1
13 1 9 PHE QD 1 11 ASN QB 5.000 . 5.000 3.739 2.807 4.738 . 0 0 "[ . 1]" 1
14 1 9 PHE QE 1 11 ASN QB 5.000 . 5.000 4.751 3.608 5.041 0.041 10 0 "[ . 1]" 1
15 1 10 GLN HA 1 10 GLN QE 5.000 . 5.000 3.891 3.751 4.290 . 0 0 "[ . 1]" 1
16 1 10 GLN HA 1 11 ASN H 5.000 . 5.000 3.483 3.437 3.569 . 0 0 "[ . 1]" 1
17 1 10 GLN H 1 11 ASN H 5.000 . 5.000 2.717 2.441 2.864 . 0 0 "[ . 1]" 1
18 1 10 GLN HA 1 13 GLU H 5.000 . 5.000 3.486 3.153 4.013 . 0 0 "[ . 1]" 1
19 1 10 GLN QE 1 15 LEU QD 5.000 . 5.000 4.717 4.326 5.010 0.010 3 0 "[ . 1]" 1
20 1 11 ASN QB 1 12 ALA H 5.000 . 5.000 2.444 2.407 2.491 . 0 0 "[ . 1]" 1
21 1 11 ASN H 1 12 ALA H 5.000 . 5.000 2.736 2.645 2.816 . 0 0 "[ . 1]" 1
22 1 11 ASN HA 1 14 ARG H 5.000 . 5.000 3.682 3.499 4.024 . 0 0 "[ . 1]" 1
23 1 11 ASN QB 1 15 LEU QD 5.000 . 5.000 3.563 3.294 3.904 . 0 0 "[ . 1]" 1
24 1 12 ALA MB 1 13 GLU H 5.000 . 5.000 2.574 2.259 2.814 . 0 0 "[ . 1]" 1
25 1 12 ALA MB 1 15 LEU QD 5.000 . 5.000 3.520 3.011 4.255 . 0 0 "[ . 1]" 1
26 1 12 ALA H 1 15 LEU QD 5.000 . 5.000 4.082 3.644 4.672 . 0 0 "[ . 1]" 1
27 1 12 ALA MB 1 97 TYR HA 5.000 . 5.000 2.648 1.784 3.499 0.016 8 0 "[ . 1]" 1
28 1 12 ALA MB 1 97 TYR QD 5.000 . 5.000 3.322 3.121 3.665 . 0 0 "[ . 1]" 1
29 1 12 ALA MB 1 97 TYR QE 5.000 . 5.000 4.932 4.247 5.235 0.235 8 0 "[ . 1]" 1
30 1 12 ALA MB 1 100 HIS HA 5.000 . 5.000 4.552 4.111 5.081 0.081 4 0 "[ . 1]" 1
31 1 12 ALA MB 1 100 HIS QB 5.000 . 5.000 2.178 1.775 2.670 0.025 8 0 "[ . 1]" 1
32 1 12 ALA MB 1 100 HIS HD2 5.000 . 5.000 4.248 2.656 5.008 0.008 1 0 "[ . 1]" 1
33 1 12 ALA MB 1 101 VAL QG 5.000 . 5.000 2.228 1.834 2.848 . 0 0 "[ . 1]" 1
34 1 12 ALA MB 1 101 VAL H 5.000 . 5.000 3.336 2.755 4.188 . 0 0 "[ . 1]" 1
35 1 12 ALA H 1 101 VAL QG 5.000 . 5.000 4.477 3.909 5.005 0.005 10 0 "[ . 1]" 1
36 1 13 GLU H 1 14 ARG H 5.000 . 5.000 2.725 2.590 2.841 . 0 0 "[ . 1]" 1
37 1 13 GLU HA 1 101 VAL QG 5.000 . 5.000 3.000 2.287 3.855 . 0 0 "[ . 1]" 1
38 1 13 GLU H 1 101 VAL QG 5.000 . 5.000 3.418 2.856 4.244 . 0 0 "[ . 1]" 1
39 1 14 ARG H 1 15 LEU H 5.000 . 5.000 2.832 2.657 3.008 . 0 0 "[ . 1]" 1
40 1 14 ARG H 1 15 LEU QD 5.000 . 5.000 4.074 3.786 5.019 0.019 9 0 "[ . 1]" 1
41 1 14 ARG HA 1 17 LEU QD 5.000 . 5.000 2.340 1.798 2.944 0.002 5 0 "[ . 1]" 1
42 1 14 ARG HA 1 80 LEU QD 5.000 . 5.000 2.197 1.763 3.172 0.037 6 0 "[ . 1]" 1
43 1 14 ARG H 1 80 LEU QD 5.000 . 5.000 4.248 3.846 4.920 . 0 0 "[ . 1]" 1
44 1 15 LEU HA 1 15 LEU QD 3.500 . 3.500 2.824 2.208 3.434 . 0 0 "[ . 1]" 1
45 1 15 LEU H 1 15 LEU QD 5.000 . 5.000 2.327 1.938 3.242 . 0 0 "[ . 1]" 1
46 1 15 LEU HA 1 16 LEU H 5.000 . 5.000 3.530 3.486 3.578 . 0 0 "[ . 1]" 1
47 1 15 LEU H 1 16 LEU H 5.000 . 5.000 2.674 2.425 2.971 . 0 0 "[ . 1]" 1
48 1 15 LEU HA 1 18 ALA MB 5.000 . 5.000 2.543 2.164 2.865 . 0 0 "[ . 1]" 1
49 1 15 LEU HA 1 18 ALA H 5.000 . 5.000 3.065 2.682 3.362 . 0 0 "[ . 1]" 1
50 1 15 LEU HA 1 80 LEU QD 5.000 . 5.000 3.662 2.953 4.420 . 0 0 "[ . 1]" 1
51 1 15 LEU QB 1 80 LEU HG 5.000 . 5.000 5.068 4.753 5.250 0.250 9 0 "[ . 1]" 1
52 1 15 LEU QD 1 97 TYR QE 3.500 . 3.500 3.162 2.482 3.581 0.081 6 0 "[ . 1]" 1
53 1 16 LEU H 1 16 LEU QD 5.000 . 5.000 3.629 3.299 3.773 . 0 0 "[ . 1]" 1
54 1 16 LEU H 1 16 LEU HG 5.000 . 5.000 4.403 3.981 4.634 . 0 0 "[ . 1]" 1
55 1 16 LEU QD 1 17 LEU H 5.000 . 5.000 3.455 2.860 3.901 . 0 0 "[ . 1]" 1
56 1 16 LEU H 1 18 ALA MB 5.000 . 5.000 4.702 4.607 4.820 . 0 0 "[ . 1]" 1
57 1 16 LEU HA 1 19 HIS H 5.000 . 5.000 3.382 2.857 3.995 . 0 0 "[ . 1]" 1
58 1 16 LEU QD 1 29 VAL HA 5.000 . 5.000 5.184 5.116 5.306 0.306 8 0 "[ . 1]" 1
59 1 16 LEU QD 1 30 VAL QG 5.000 . 5.000 2.149 1.619 2.966 0.181 5 0 "[ . 1]" 1
60 1 16 LEU QD 1 34 ILE HA 5.000 . 5.000 4.939 4.499 5.137 0.137 8 0 "[ . 1]" 1
61 1 16 LEU QD 1 34 ILE MD 3.500 . 3.500 1.752 1.666 1.913 0.134 2 0 "[ . 1]" 1
62 1 16 LEU QD 1 47 ALA HA 5.000 . 5.000 4.898 4.586 5.125 0.125 10 0 "[ . 1]" 1
63 1 16 LEU QD 1 97 TYR QD 5.000 . 5.000 2.279 1.817 3.107 . 0 0 "[ . 1]" 1
64 1 16 LEU QD 1 97 TYR H 5.000 . 5.000 4.799 3.857 5.115 0.115 9 0 "[ . 1]" 1
65 1 16 LEU QD 1 97 TYR QE 5.000 . 5.000 2.421 1.761 3.847 0.039 9 0 "[ . 1]" 1
66 1 16 LEU QD 1 98 ILE HA 5.000 . 5.000 2.793 2.203 3.774 . 0 0 "[ . 1]" 1
67 1 16 LEU QD 1 98 ILE H 5.000 . 5.000 3.458 3.056 3.824 . 0 0 "[ . 1]" 1
68 1 16 LEU QD 1 101 VAL QG 3.500 . 3.500 2.701 1.942 3.354 . 0 0 "[ . 1]" 1
69 1 17 LEU H 1 17 LEU QD 5.000 . 5.000 2.400 1.892 2.972 . 0 0 "[ . 1]" 1
70 1 17 LEU H 1 17 LEU HG 5.000 . 5.000 3.064 1.785 4.245 0.015 10 0 "[ . 1]" 1
71 1 17 LEU QD 1 18 ALA H 5.000 . 5.000 3.928 3.790 4.070 . 0 0 "[ . 1]" 1
72 1 17 LEU QD 1 18 ALA MB 5.000 . 5.000 4.766 4.589 4.869 . 0 0 "[ . 1]" 1
73 1 17 LEU H 1 18 ALA H 5.000 . 5.000 2.706 2.515 2.842 . 0 0 "[ . 1]" 1
74 1 17 LEU QD 1 20 MET ME 5.000 . 5.000 2.822 1.831 3.403 . 0 0 "[ . 1]" 1
75 1 17 LEU QD 1 20 MET H 5.000 . 5.000 4.950 4.769 5.067 0.067 10 0 "[ . 1]" 1
76 1 17 LEU H 1 20 MET ME 5.000 . 5.000 4.889 4.019 5.145 0.145 9 0 "[ . 1]" 1
77 1 17 LEU QD 1 21 MET ME 5.000 . 5.000 2.815 2.314 3.331 . 0 0 "[ . 1]" 1
78 1 17 LEU QD 1 43 HIS HD2 5.000 . 5.000 3.260 1.935 4.967 . 0 0 "[ . 1]" 1
79 1 17 LEU QD 1 43 HIS H 5.000 . 5.000 4.258 3.281 4.911 . 0 0 "[ . 1]" 1
80 1 17 LEU QD 1 44 ARG H 5.000 . 5.000 4.611 4.179 5.000 . 0 0 "[ . 1]" 1
81 1 17 LEU QD 1 46 LEU H 5.000 . 5.000 3.517 3.368 3.730 . 0 0 "[ . 1]" 1
82 1 17 LEU QD 1 47 ALA MB 5.000 . 5.000 3.212 2.749 4.098 . 0 0 "[ . 1]" 1
83 1 17 LEU QD 1 47 ALA HA 5.000 . 5.000 3.695 2.925 4.812 . 0 0 "[ . 1]" 1
84 1 17 LEU QD 1 47 ALA H 5.000 . 5.000 3.008 2.475 3.860 . 0 0 "[ . 1]" 1
85 1 17 LEU QD 1 73 LEU QD 5.000 . 5.000 3.149 1.805 4.848 . 0 0 "[ . 1]" 1
86 1 17 LEU QD 1 77 ALA H 5.000 . 5.000 4.977 4.430 5.081 0.081 5 0 "[ . 1]" 1
87 1 17 LEU QD 1 80 LEU QD 5.000 . 5.000 2.106 1.787 2.521 0.013 7 0 "[ . 1]" 1
88 1 18 ALA HA 1 19 HIS H 5.000 . 5.000 3.549 3.514 3.574 . 0 0 "[ . 1]" 1
89 1 18 ALA MB 1 19 HIS H 5.000 . 5.000 2.464 2.362 2.655 . 0 0 "[ . 1]" 1
90 1 18 ALA H 1 19 HIS H 5.000 . 5.000 2.784 2.637 2.901 . 0 0 "[ . 1]" 1
91 1 18 ALA HA 1 21 MET H 5.000 . 5.000 3.883 3.575 4.193 . 0 0 "[ . 1]" 1
92 1 18 ALA MB 1 21 MET ME 5.000 . 5.000 3.680 3.411 4.178 . 0 0 "[ . 1]" 1
93 1 18 ALA MB 1 21 MET H 5.000 . 5.000 4.762 4.646 4.928 . 0 0 "[ . 1]" 1
94 1 18 ALA MB 1 80 LEU QD 5.000 . 5.000 3.396 2.823 3.826 . 0 0 "[ . 1]" 1
95 1 18 ALA MB 1 83 LEU QD 3.500 . 3.500 2.671 1.912 3.509 0.009 7 0 "[ . 1]" 1
96 1 18 ALA MB 1 83 LEU H 5.000 . 5.000 2.091 1.785 2.725 0.015 7 0 "[ . 1]" 1
97 1 18 ALA H 1 83 LEU QD 5.000 . 5.000 3.897 3.214 4.987 . 0 0 "[ . 1]" 1
98 1 18 ALA MB 1 84 LEU HA 5.000 . 5.000 4.964 4.726 5.112 0.112 9 0 "[ . 1]" 1
99 1 18 ALA MB 1 85 ILE MG 3.500 . 3.500 1.876 1.738 2.069 0.062 10 0 "[ . 1]" 1
100 1 18 ALA MB 1 85 ILE MD 3.500 . 3.500 2.514 2.017 2.747 . 0 0 "[ . 1]" 1
101 1 18 ALA H 1 85 ILE MD 5.000 . 5.000 5.026 4.835 5.076 0.076 3 0 "[ . 1]" 1
102 1 18 ALA H 1 85 ILE MG 5.000 . 5.000 4.127 3.954 4.308 . 0 0 "[ . 1]" 1
103 1 19 HIS H 1 20 MET H 5.000 . 5.000 2.636 2.273 2.925 . 0 0 "[ . 1]" 1
104 1 19 HIS HA 1 21 MET H 5.000 . 5.000 4.255 4.021 4.515 . 0 0 "[ . 1]" 1
105 1 19 HIS HA 1 22 ARG H 5.000 . 5.000 4.131 3.635 4.887 . 0 0 "[ . 1]" 1
106 1 19 HIS QB 1 26 VAL QG 5.000 . 5.000 2.237 1.768 3.184 0.032 9 0 "[ . 1]" 1
107 1 19 HIS H 1 26 VAL QG 5.000 . 5.000 4.099 3.625 4.657 . 0 0 "[ . 1]" 1
108 1 19 HIS HA 1 85 ILE MD 5.000 . 5.000 2.494 1.773 3.893 0.027 1 0 "[ . 1]" 1
109 1 19 HIS H 1 85 ILE MD 5.000 . 5.000 3.823 2.802 4.509 . 0 0 "[ . 1]" 1
110 1 19 HIS QB 1 94 LEU QD 5.000 . 5.000 2.745 2.074 3.125 . 0 0 "[ . 1]" 1
111 1 19 HIS H 1 94 LEU QD 5.000 . 5.000 4.917 4.505 5.035 0.035 10 0 "[ . 1]" 1
112 1 20 MET ME 1 20 MET QG 3.500 . 3.500 2.475 2.343 2.690 . 0 0 "[ . 1]" 1
113 1 20 MET H 1 20 MET ME 5.000 . 5.000 4.004 2.658 4.423 . 0 0 "[ . 1]" 1
114 1 20 MET H 1 20 MET QG 5.000 . 5.000 2.601 1.790 3.958 0.010 1 0 "[ . 1]" 1
115 1 20 MET ME 1 21 MET HA 5.000 . 5.000 3.554 3.195 4.352 . 0 0 "[ . 1]" 1
116 1 20 MET ME 1 21 MET H 5.000 . 5.000 3.420 2.923 3.799 . 0 0 "[ . 1]" 1
117 1 20 MET H 1 21 MET H 5.000 . 5.000 2.696 2.499 2.816 . 0 0 "[ . 1]" 1
118 1 20 MET ME 1 22 ARG H 5.000 . 5.000 5.130 5.063 5.239 0.239 3 0 "[ . 1]" 1
119 1 20 MET H 1 26 VAL QG 5.000 . 5.000 2.597 2.244 3.271 . 0 0 "[ . 1]" 1
120 1 20 MET ME 1 27 ALA MB 3.500 . 3.500 3.272 1.939 3.614 0.114 7 0 "[ . 1]" 1
121 1 20 MET ME 1 30 VAL QG 5.000 . 5.000 2.176 1.819 2.596 . 0 0 "[ . 1]" 1
122 1 20 MET ME 1 30 VAL H 5.000 . 5.000 5.078 5.032 5.149 0.149 8 0 "[ . 1]" 1
123 1 20 MET ME 1 34 ILE MD 5.000 . 5.000 4.885 4.147 5.084 0.084 1 0 "[ . 1]" 1
124 1 20 MET ME 1 47 ALA MB 3.500 . 3.500 3.569 3.517 3.595 0.095 6 0 "[ . 1]" 1
125 1 20 MET ME 1 54 TYR QE 5.000 . 5.000 4.950 4.195 5.079 0.079 5 0 "[ . 1]" 1
126 1 20 MET ME 1 65 LEU QD 5.000 . 5.000 3.352 2.850 4.233 . 0 0 "[ . 1]" 1
127 1 20 MET ME 1 66 ILE MD 5.000 . 5.000 5.035 4.944 5.213 0.213 3 0 "[ . 1]" 1
128 1 21 MET H 1 21 MET ME 5.000 . 5.000 4.095 3.520 4.519 . 0 0 "[ . 1]" 1
129 1 21 MET H 1 21 MET QG 5.000 . 5.000 2.955 2.384 3.849 . 0 0 "[ . 1]" 1
130 1 21 MET HA 1 22 ARG H 5.000 . 5.000 3.365 3.302 3.454 . 0 0 "[ . 1]" 1
131 1 21 MET H 1 22 ARG H 5.000 . 5.000 2.782 2.522 3.115 . 0 0 "[ . 1]" 1
132 1 21 MET H 1 23 SER H 5.000 . 5.000 4.949 4.602 5.088 0.088 1 0 "[ . 1]" 1
133 1 21 MET ME 1 49 TYR QE 5.000 . 5.000 5.130 5.012 5.234 0.234 3 0 "[ . 1]" 1
134 1 21 MET HA 1 65 LEU QD 5.000 . 5.000 2.812 2.075 3.500 . 0 0 "[ . 1]" 1
135 1 21 MET ME 1 65 LEU QD 5.000 . 5.000 3.822 3.197 4.281 . 0 0 "[ . 1]" 1
136 1 21 MET H 1 65 LEU QD 5.000 . 5.000 4.734 4.294 5.087 0.087 1 0 "[ . 1]" 1
137 1 21 MET HA 1 66 ILE MD 3.500 . 3.500 3.524 3.252 3.611 0.111 1 0 "[ . 1]" 1
138 1 21 MET ME 1 66 ILE MD 3.500 . 3.500 2.810 2.025 3.470 . 0 0 "[ . 1]" 1
139 1 21 MET ME 1 66 ILE MG 5.000 . 5.000 3.924 3.210 4.322 . 0 0 "[ . 1]" 1
140 1 21 MET ME 1 69 ILE MD 5.000 . 5.000 4.270 3.571 4.565 . 0 0 "[ . 1]" 1
141 1 21 MET ME 1 77 ALA HA 3.500 . 3.500 1.985 1.787 2.264 0.013 1 0 "[ . 1]" 1
142 1 21 MET ME 1 77 ALA MB 3.500 . 3.500 2.123 1.863 2.512 . 0 0 "[ . 1]" 1
143 1 21 MET ME 1 78 SER H 5.000 . 5.000 4.514 4.157 4.985 . 0 0 "[ . 1]" 1
144 1 21 MET ME 1 81 SER HA 3.500 . 3.500 3.253 2.938 3.519 0.019 3 0 "[ . 1]" 1
145 1 21 MET ME 1 81 SER H 5.000 . 5.000 3.454 2.874 3.961 . 0 0 "[ . 1]" 1
146 1 21 MET ME 1 83 LEU H 5.000 . 5.000 5.141 5.015 5.206 0.206 1 0 "[ . 1]" 1
147 1 21 MET H 1 85 ILE MG 5.000 . 5.000 5.073 5.002 5.267 0.267 1 0 "[ . 1]" 1
148 1 22 ARG HA 1 22 ARG QD 5.000 . 5.000 3.732 2.245 4.412 . 0 0 "[ . 1]" 1
149 1 22 ARG H 1 22 ARG QD 5.000 . 5.000 4.139 3.250 4.765 . 0 0 "[ . 1]" 1
150 1 22 ARG HA 1 23 SER H 5.000 . 5.000 3.528 3.021 3.606 . 0 0 "[ . 1]" 1
151 1 22 ARG QD 1 23 SER H 5.000 . 5.000 4.331 3.419 5.014 0.014 5 0 "[ . 1]" 1
152 1 22 ARG H 1 23 SER H 5.000 . 5.000 2.502 2.039 2.689 . 0 0 "[ . 1]" 1
153 1 22 ARG QD 1 85 ILE MD 5.000 . 5.000 2.684 1.927 4.175 . 0 0 "[ . 1]" 1
154 1 22 ARG QD 1 85 ILE MG 5.000 . 5.000 4.525 3.647 4.987 . 0 0 "[ . 1]" 1
155 1 22 ARG H 1 85 ILE MD 5.000 . 5.000 4.495 3.699 5.054 0.054 7 0 "[ . 1]" 1
156 1 23 SER H 1 24 ARG H 5.000 . 5.000 4.472 4.154 4.545 . 0 0 "[ . 1]" 1
157 1 23 SER QB 1 26 VAL QG 5.000 . 5.000 2.036 1.796 2.858 0.004 4 0 "[ . 1]" 1
158 1 23 SER H 1 60 ALA MB 5.000 . 5.000 4.726 4.143 5.137 0.137 8 0 "[ . 1]" 1
159 1 23 SER H 1 89 VAL QG 5.000 . 5.000 4.383 3.230 5.128 0.128 8 0 "[ . 1]" 1
160 1 24 ARG H 1 24 ARG QD 5.000 . 5.000 3.744 2.628 4.282 . 0 0 "[ . 1]" 1
161 1 24 ARG H 1 24 ARG QG 5.000 . 5.000 2.210 1.876 2.471 . 0 0 "[ . 1]" 1
162 1 24 ARG HA 1 25 ASP H 5.000 . 5.000 3.488 3.432 3.582 . 0 0 "[ . 1]" 1
163 1 24 ARG H 1 25 ASP H 5.000 . 5.000 2.670 2.604 2.850 . 0 0 "[ . 1]" 1
164 1 24 ARG HA 1 27 ALA MB 5.000 . 5.000 2.423 1.870 3.432 . 0 0 "[ . 1]" 1
165 1 24 ARG HA 1 54 TYR QE 5.000 . 5.000 3.409 1.916 4.992 . 0 0 "[ . 1]" 1
166 1 24 ARG QB 1 58 HIS H 5.000 . 5.000 5.084 5.048 5.176 0.176 5 0 "[ . 1]" 1
167 1 24 ARG H 1 60 ALA MB 5.000 . 5.000 3.760 2.298 4.408 . 0 0 "[ . 1]" 1
168 1 25 ASP HA 1 26 VAL H 5.000 . 5.000 3.529 3.468 3.551 . 0 0 "[ . 1]" 1
169 1 25 ASP QB 1 26 VAL H 5.000 . 5.000 2.471 2.304 2.849 . 0 0 "[ . 1]" 1
170 1 25 ASP QB 1 26 VAL QG 5.000 . 5.000 3.403 2.820 3.919 . 0 0 "[ . 1]" 1
171 1 25 ASP H 1 26 VAL HA 5.000 . 5.000 5.148 5.105 5.178 0.178 10 0 "[ . 1]" 1
172 1 25 ASP H 1 26 VAL QG 5.000 . 5.000 3.714 3.418 4.550 . 0 0 "[ . 1]" 1
173 1 25 ASP H 1 26 VAL H 5.000 . 5.000 2.563 2.514 2.609 . 0 0 "[ . 1]" 1
174 1 25 ASP HA 1 28 LEU QD 3.500 . 3.500 1.977 1.817 2.276 . 0 0 "[ . 1]" 1
175 1 25 ASP QB 1 28 LEU QD 5.000 . 5.000 3.080 2.644 3.421 . 0 0 "[ . 1]" 1
176 1 26 VAL HA 1 27 ALA H 5.000 . 5.000 3.512 3.480 3.596 . 0 0 "[ . 1]" 1
177 1 26 VAL HB 1 27 ALA H 5.000 . 5.000 3.522 2.393 4.140 . 0 0 "[ . 1]" 1
178 1 26 VAL QG 1 27 ALA H 5.000 . 5.000 2.486 2.022 3.290 . 0 0 "[ . 1]" 1
179 1 26 VAL QG 1 27 ALA HA 5.000 . 5.000 3.261 2.977 3.813 . 0 0 "[ . 1]" 1
180 1 26 VAL H 1 27 ALA H 5.000 . 5.000 2.605 2.494 2.851 . 0 0 "[ . 1]" 1
181 1 26 VAL HA 1 29 VAL QG 5.000 . 5.000 1.876 1.785 1.960 0.015 3 0 "[ . 1]" 1
182 1 26 VAL HA 1 29 VAL HB 5.000 . 5.000 3.122 2.813 4.315 . 0 0 "[ . 1]" 1
183 1 26 VAL HA 1 29 VAL H 5.000 . 5.000 3.087 2.904 3.348 . 0 0 "[ . 1]" 1
184 1 26 VAL HA 1 30 VAL QG 5.000 . 5.000 4.620 4.050 4.988 . 0 0 "[ . 1]" 1
185 1 26 VAL HA 1 30 VAL H 5.000 . 5.000 4.517 4.407 4.732 . 0 0 "[ . 1]" 1
186 1 26 VAL QG 1 30 VAL HA 5.000 . 5.000 4.976 4.750 5.146 0.146 8 0 "[ . 1]" 1
187 1 26 VAL QG 1 30 VAL QG 3.500 . 3.500 3.153 2.513 3.559 0.059 1 0 "[ . 1]" 1
188 1 26 VAL QG 1 89 VAL QG 3.500 . 3.500 2.283 1.738 3.336 0.062 4 0 "[ . 1]" 1
189 1 26 VAL HA 1 94 LEU QD 5.000 . 5.000 3.315 2.140 4.598 . 0 0 "[ . 1]" 1
190 1 27 ALA H 1 27 ALA MB 3.500 . 3.500 2.152 2.027 2.269 . 0 0 "[ . 1]" 1
191 1 27 ALA MB 1 28 LEU H 5.000 . 5.000 2.730 2.524 2.903 . 0 0 "[ . 1]" 1
192 1 27 ALA H 1 28 LEU QD 5.000 . 5.000 4.729 4.627 4.961 . 0 0 "[ . 1]" 1
193 1 27 ALA H 1 28 LEU H 5.000 . 5.000 2.671 2.504 2.810 . 0 0 "[ . 1]" 1
194 1 27 ALA MB 1 29 VAL H 5.000 . 5.000 4.409 4.242 4.560 . 0 0 "[ . 1]" 1
195 1 27 ALA MB 1 30 VAL QG 5.000 . 5.000 2.887 2.160 3.136 . 0 0 "[ . 1]" 1
196 1 27 ALA H 1 30 VAL QG 5.000 . 5.000 3.930 3.574 4.136 . 0 0 "[ . 1]" 1
197 1 27 ALA MB 1 31 GLN H 5.000 . 5.000 4.569 3.660 4.759 . 0 0 "[ . 1]" 1
198 1 27 ALA MB 1 54 TYR QD 5.000 . 5.000 3.630 3.389 3.776 . 0 0 "[ . 1]" 1
199 1 27 ALA MB 1 54 TYR QE 5.000 . 5.000 1.935 1.794 2.210 0.006 8 0 "[ . 1]" 1
200 1 27 ALA MB 1 59 GLU QG 5.000 . 5.000 4.416 3.102 5.072 0.072 1 0 "[ . 1]" 1
201 1 28 LEU HA 1 28 LEU QD 3.500 . 3.500 3.169 3.000 3.240 . 0 0 "[ . 1]" 1
202 1 28 LEU H 1 28 LEU QD 3.500 . 3.500 3.183 3.106 3.405 . 0 0 "[ . 1]" 1
203 1 28 LEU H 1 28 LEU HG 5.000 . 5.000 3.024 2.917 3.252 . 0 0 "[ . 1]" 1
204 1 28 LEU QB 1 29 VAL H 5.000 . 5.000 3.361 3.296 3.403 . 0 0 "[ . 1]" 1
205 1 28 LEU QD 1 29 VAL H 5.000 . 5.000 3.084 2.995 3.192 . 0 0 "[ . 1]" 1
206 1 28 LEU HG 1 29 VAL QG 3.500 . 3.500 2.155 1.917 2.312 . 0 0 "[ . 1]" 1
207 1 28 LEU H 1 29 VAL QG 5.000 . 5.000 3.621 3.445 3.797 . 0 0 "[ . 1]" 1
208 1 28 LEU H 1 29 VAL H 5.000 . 5.000 2.490 2.387 2.556 . 0 0 "[ . 1]" 1
209 1 28 LEU HG 1 30 VAL QG 5.000 . 5.000 5.116 5.056 5.165 0.165 6 0 "[ . 1]" 1
210 1 28 LEU H 1 30 VAL H 5.000 . 5.000 4.115 3.938 4.293 . 0 0 "[ . 1]" 1
211 1 28 LEU QD 1 31 GLN H 5.000 . 5.000 4.997 4.907 5.065 0.065 8 0 "[ . 1]" 1
212 1 29 VAL HA 1 30 VAL QG 5.000 . 5.000 4.582 4.396 4.696 . 0 0 "[ . 1]" 1
213 1 29 VAL HA 1 30 VAL H 5.000 . 5.000 3.528 3.475 3.580 . 0 0 "[ . 1]" 1
214 1 29 VAL HB 1 30 VAL H 5.000 . 5.000 2.788 2.476 4.029 . 0 0 "[ . 1]" 1
215 1 29 VAL QG 1 30 VAL HA 5.000 . 5.000 3.566 3.139 3.745 . 0 0 "[ . 1]" 1
216 1 29 VAL QG 1 30 VAL H 5.000 . 5.000 3.144 1.925 3.388 . 0 0 "[ . 1]" 1
217 1 29 VAL H 1 30 VAL QG 5.000 . 5.000 3.556 3.428 3.648 . 0 0 "[ . 1]" 1
218 1 29 VAL H 1 30 VAL H 5.000 . 5.000 2.672 2.495 2.766 . 0 0 "[ . 1]" 1
219 1 29 VAL H 1 31 GLN H 5.000 . 5.000 4.425 4.275 4.545 . 0 0 "[ . 1]" 1
220 1 29 VAL HA 1 32 GLU QB 5.000 . 5.000 3.325 3.096 4.192 . 0 0 "[ . 1]" 1
221 1 29 VAL QG 1 33 ARG H 5.000 . 5.000 3.656 3.272 4.189 . 0 0 "[ . 1]" 1
222 1 29 VAL QG 1 34 ILE H 5.000 . 5.000 4.528 3.844 5.015 0.015 8 0 "[ . 1]" 1
223 1 30 VAL QG 1 31 GLN H 5.000 . 5.000 1.919 1.722 2.996 0.078 3 0 "[ . 1]" 1
224 1 30 VAL H 1 31 GLN H 5.000 . 5.000 2.757 2.670 2.851 . 0 0 "[ . 1]" 1
225 1 30 VAL HA 1 33 ARG H 5.000 . 5.000 4.213 4.008 4.352 . 0 0 "[ . 1]" 1
226 1 30 VAL HA 1 34 ILE MD 5.000 . 5.000 2.634 2.130 2.846 . 0 0 "[ . 1]" 1
227 1 30 VAL QG 1 34 ILE MG 5.000 . 5.000 2.744 1.787 4.046 0.013 5 0 "[ . 1]" 1
228 1 30 VAL QG 1 34 ILE H 5.000 . 5.000 4.254 3.720 4.859 . 0 0 "[ . 1]" 1
229 1 30 VAL QG 1 34 ILE MD 5.000 . 5.000 2.124 1.774 3.120 0.026 5 0 "[ . 1]" 1
230 1 30 VAL H 1 34 ILE MD 5.000 . 5.000 4.788 3.950 5.048 0.048 1 0 "[ . 1]" 1
231 1 30 VAL QG 1 35 GLY H 5.000 . 5.000 4.400 3.209 5.038 0.038 8 0 "[ . 1]" 1
232 1 30 VAL QG 1 54 TYR QE 5.000 . 5.000 3.966 3.395 4.908 . 0 0 "[ . 1]" 1
233 1 30 VAL QG 1 98 ILE MD 5.000 . 5.000 4.453 3.599 5.040 0.040 7 0 "[ . 1]" 1
234 1 31 GLN H 1 31 GLN QG 5.000 . 5.000 3.330 1.906 4.051 . 0 0 "[ . 1]" 1
235 1 31 GLN H 1 32 GLU H 5.000 . 5.000 2.739 2.665 2.791 . 0 0 "[ . 1]" 1
236 1 31 GLN HA 1 34 ILE MG 5.000 . 5.000 4.396 3.295 5.055 0.055 3 0 "[ . 1]" 1
237 1 31 GLN H 1 54 TYR QE 5.000 . 5.000 4.769 3.684 5.122 0.122 6 0 "[ . 1]" 1
238 1 32 GLU HA 1 32 GLU QG 3.500 . 3.500 2.401 2.167 3.381 . 0 0 "[ . 1]" 1
239 1 32 GLU H 1 32 GLU QB 3.500 . 3.500 2.252 2.119 2.490 . 0 0 "[ . 1]" 1
240 1 32 GLU H 1 32 GLU QG 5.000 . 5.000 3.300 2.344 4.015 . 0 0 "[ . 1]" 1
241 1 32 GLU HA 1 33 ARG H 5.000 . 5.000 3.581 3.571 3.593 . 0 0 "[ . 1]" 1
242 1 32 GLU QG 1 33 ARG H 5.000 . 5.000 3.960 1.858 4.518 . 0 0 "[ . 1]" 1
243 1 32 GLU H 1 33 ARG H 5.000 . 5.000 2.677 2.616 2.768 . 0 0 "[ . 1]" 1
244 1 32 GLU H 1 34 ILE H 5.000 . 5.000 4.049 3.830 4.371 . 0 0 "[ . 1]" 1
245 1 33 ARG HA 1 33 ARG QD 5.000 . 5.000 3.655 2.402 4.169 . 0 0 "[ . 1]" 1
246 1 33 ARG HA 1 33 ARG QG 3.500 . 3.500 2.301 2.063 2.492 . 0 0 "[ . 1]" 1
247 1 33 ARG H 1 33 ARG QD 5.000 . 5.000 4.095 3.030 4.629 . 0 0 "[ . 1]" 1
248 1 33 ARG H 1 33 ARG QG 5.000 . 5.000 2.919 2.310 3.910 . 0 0 "[ . 1]" 1
249 1 33 ARG H 1 34 ILE H 5.000 . 5.000 2.522 2.394 2.742 . 0 0 "[ . 1]" 1
250 1 33 ARG QD 1 98 ILE MG 5.000 . 5.000 3.012 1.881 4.409 . 0 0 "[ . 1]" 1
251 1 33 ARG H 1 98 ILE MD 5.000 . 5.000 4.944 4.528 5.063 0.063 9 0 "[ . 1]" 1
252 1 33 ARG H 1 98 ILE MG 5.000 . 5.000 4.195 3.743 5.009 0.009 3 0 "[ . 1]" 1
253 1 34 ILE MD 1 34 ILE MG 3.500 . 3.500 1.930 1.773 2.359 0.027 7 0 "[ . 1]" 1
254 1 34 ILE H 1 34 ILE MD 5.000 . 5.000 4.104 3.396 4.522 . 0 0 "[ . 1]" 1
255 1 34 ILE H 1 34 ILE QG 5.000 . 5.000 3.158 2.221 3.638 . 0 0 "[ . 1]" 1
256 1 34 ILE MD 1 35 GLY H 5.000 . 5.000 3.897 3.599 4.524 . 0 0 "[ . 1]" 1
257 1 34 ILE MG 1 35 GLY H 5.000 . 5.000 3.022 1.907 4.073 . 0 0 "[ . 1]" 1
258 1 34 ILE H 1 35 GLY H 5.000 . 5.000 3.289 1.887 4.642 . 0 0 "[ . 1]" 1
259 1 34 ILE MD 1 47 ALA HA 5.000 . 5.000 5.116 5.061 5.182 0.182 9 0 "[ . 1]" 1
260 1 34 ILE MD 1 97 TYR QE 5.000 . 5.000 4.863 4.328 5.178 0.178 5 0 "[ . 1]" 1
261 1 34 ILE MD 1 98 ILE HA 3.500 . 3.500 3.571 3.484 3.664 0.164 5 0 "[ . 1]" 1
262 1 34 ILE MD 1 98 ILE MG 3.500 . 3.500 3.521 3.299 3.593 0.093 10 0 "[ . 1]" 1
263 1 34 ILE QG 1 98 ILE MG 5.000 . 5.000 3.740 2.279 4.258 . 0 0 "[ . 1]" 1
264 1 34 ILE MG 1 98 ILE MD 5.000 . 5.000 3.694 2.066 5.103 0.103 3 0 "[ . 1]" 1
265 1 34 ILE MG 1 98 ILE MG 5.000 . 5.000 2.537 1.710 4.588 0.090 9 0 "[ . 1]" 1
266 1 34 ILE H 1 98 ILE MG 5.000 . 5.000 3.634 2.834 4.092 . 0 0 "[ . 1]" 1
267 1 34 ILE MD 1 101 VAL QG 5.000 . 5.000 2.139 1.819 2.324 . 0 0 "[ . 1]" 1
268 1 34 ILE MD 1 101 VAL H 5.000 . 5.000 5.009 4.853 5.069 0.069 3 0 "[ . 1]" 1
269 1 34 ILE MG 1 101 VAL QG 5.000 . 5.000 2.948 2.285 3.500 . 0 0 "[ . 1]" 1
270 1 35 GLY H 1 98 ILE MG 5.000 . 5.000 5.034 4.948 5.092 0.092 9 0 "[ . 1]" 1
271 1 35 GLY H 1 101 VAL QG 5.000 . 5.000 3.540 1.821 4.659 . 0 0 "[ . 1]" 1
272 1 42 GLU HA 1 42 GLU QG 3.500 . 3.500 2.863 2.176 3.429 . 0 0 "[ . 1]" 1
273 1 42 GLU H 1 42 GLU QG 5.000 . 5.000 2.823 1.837 4.034 . 0 0 "[ . 1]" 1
274 1 42 GLU QG 1 43 HIS HD2 5.000 . 5.000 4.036 2.696 4.680 . 0 0 "[ . 1]" 1
275 1 42 GLU QG 1 43 HIS H 5.000 . 5.000 3.292 1.807 4.348 . 0 0 "[ . 1]" 1
276 1 42 GLU H 1 43 HIS H 5.000 . 5.000 2.756 2.566 3.042 . 0 0 "[ . 1]" 1
277 1 42 GLU HA 1 45 ALA MB 3.500 . 3.500 2.582 2.099 3.275 . 0 0 "[ . 1]" 1
278 1 42 GLU H 1 45 ALA MB 5.000 . 5.000 4.349 4.189 4.509 . 0 0 "[ . 1]" 1
279 1 42 GLU HA 1 69 ILE MG 5.000 . 5.000 2.997 2.539 3.533 . 0 0 "[ . 1]" 1
280 1 42 GLU QB 1 69 ILE MG 5.000 . 5.000 2.883 2.206 4.427 . 0 0 "[ . 1]" 1
281 1 42 GLU QG 1 69 ILE MG 3.500 . 3.500 3.186 1.929 3.544 0.044 4 0 "[ . 1]" 1
282 1 42 GLU H 1 69 ILE MG 5.000 . 5.000 5.007 4.813 5.109 0.109 5 0 "[ . 1]" 1
283 1 42 GLU HA 1 73 LEU QD 3.500 . 3.500 2.677 1.763 3.480 0.037 7 0 "[ . 1]" 1
284 1 42 GLU H 1 73 LEU QD 5.000 . 5.000 4.034 2.264 4.991 . 0 0 "[ . 1]" 1
285 1 43 HIS HA 1 43 HIS HD2 5.000 . 5.000 2.946 2.290 4.542 . 0 0 "[ . 1]" 1
286 1 43 HIS H 1 43 HIS HD2 5.000 . 5.000 2.974 2.277 4.087 . 0 0 "[ . 1]" 1
287 1 43 HIS H 1 44 ARG H 5.000 . 5.000 2.821 2.560 3.013 . 0 0 "[ . 1]" 1
288 1 43 HIS H 1 45 ALA H 5.000 . 5.000 3.876 3.693 4.208 . 0 0 "[ . 1]" 1
289 1 43 HIS H 1 69 ILE MG 5.000 . 5.000 5.151 4.997 5.332 0.332 7 0 "[ . 1]" 1
290 1 43 HIS HD2 1 76 LEU QD 5.000 . 5.000 3.163 1.870 4.196 . 0 0 "[ . 1]" 1
291 1 43 HIS H 1 76 LEU QD 5.000 . 5.000 4.568 3.017 5.032 0.032 3 0 "[ . 1]" 1
292 1 44 ARG H 1 45 ALA MB 5.000 . 5.000 4.391 4.198 4.554 . 0 0 "[ . 1]" 1
293 1 44 ARG H 1 45 ALA H 5.000 . 5.000 2.677 2.521 2.820 . 0 0 "[ . 1]" 1
294 1 45 ALA H 1 45 ALA MB 3.500 . 3.500 2.247 2.168 2.298 . 0 0 "[ . 1]" 1
295 1 45 ALA MB 1 46 LEU H 3.500 . 3.500 2.824 2.647 2.978 . 0 0 "[ . 1]" 1
296 1 45 ALA MB 1 47 ALA H 5.000 . 5.000 4.821 4.644 4.931 . 0 0 "[ . 1]" 1
297 1 45 ALA H 1 47 ALA MB 5.000 . 5.000 4.992 4.878 5.051 0.051 6 0 "[ . 1]" 1
298 1 45 ALA H 1 47 ALA H 5.000 . 5.000 4.442 4.360 4.496 . 0 0 "[ . 1]" 1
299 1 45 ALA HA 1 48 ALA MB 5.000 . 5.000 2.060 1.793 2.334 0.007 7 0 "[ . 1]" 1
300 1 45 ALA HA 1 48 ALA H 5.000 . 5.000 3.149 2.677 3.427 . 0 0 "[ . 1]" 1
301 1 45 ALA MB 1 48 ALA H 5.000 . 5.000 4.313 3.919 4.526 . 0 0 "[ . 1]" 1
302 1 45 ALA H 1 48 ALA MB 5.000 . 5.000 4.186 3.990 4.290 . 0 0 "[ . 1]" 1
303 1 45 ALA MB 1 49 TYR HA 5.000 . 5.000 5.105 5.077 5.154 0.154 7 0 "[ . 1]" 1
304 1 45 ALA MB 1 49 TYR QE 5.000 . 5.000 2.865 1.775 4.639 0.025 9 0 "[ . 1]" 1
305 1 46 LEU H 1 47 ALA H 5.000 . 5.000 2.696 2.558 2.893 . 0 0 "[ . 1]" 1
306 1 47 ALA H 1 47 ALA MB 3.500 . 3.500 2.121 2.076 2.186 . 0 0 "[ . 1]" 1
307 1 47 ALA HA 1 48 ALA H 5.000 . 5.000 3.501 3.491 3.516 . 0 0 "[ . 1]" 1
308 1 47 ALA MB 1 48 ALA MB 5.000 . 5.000 3.732 3.702 3.755 . 0 0 "[ . 1]" 1
309 1 47 ALA MB 1 48 ALA H 3.500 . 3.500 2.705 2.665 2.729 . 0 0 "[ . 1]" 1
310 1 47 ALA H 1 48 ALA MB 5.000 . 5.000 4.213 4.153 4.269 . 0 0 "[ . 1]" 1
311 1 47 ALA H 1 48 ALA H 5.000 . 5.000 2.590 2.506 2.641 . 0 0 "[ . 1]" 1
312 1 47 ALA MB 1 51 TYR H 5.000 . 5.000 5.031 4.970 5.067 0.067 4 0 "[ . 1]" 1
313 1 48 ALA H 1 48 ALA MB 3.500 . 3.500 2.119 2.063 2.179 . 0 0 "[ . 1]" 1
314 1 48 ALA HA 1 49 TYR H 5.000 . 5.000 3.580 3.519 3.687 . 0 0 "[ . 1]" 1
315 1 48 ALA MB 1 49 TYR HA 3.500 . 3.500 3.602 3.566 3.631 0.131 4 0 "[ . 1]" 1
316 1 48 ALA MB 1 49 TYR QE 5.000 . 5.000 4.599 3.882 5.232 0.232 6 0 "[ . 1]" 1
317 1 48 ALA MB 1 49 TYR H 5.000 . 5.000 2.485 1.969 2.716 . 0 0 "[ . 1]" 1
318 1 48 ALA MB 1 49 TYR QD 5.000 . 5.000 3.616 3.176 4.047 . 0 0 "[ . 1]" 1
319 1 48 ALA H 1 49 TYR H 5.000 . 5.000 2.660 2.444 3.000 . 0 0 "[ . 1]" 1
320 1 49 TYR HA 1 49 TYR QE 5.000 . 5.000 4.618 4.173 5.449 0.449 7 0 "[ . 1]" 1
321 1 49 TYR H 1 49 TYR QD 5.000 . 5.000 2.816 1.942 3.375 . 0 0 "[ . 1]" 1
322 1 49 TYR H 1 49 TYR QE 5.000 . 5.000 4.361 3.757 4.853 . 0 0 "[ . 1]" 1
323 1 49 TYR QD 1 65 LEU QD 5.000 . 5.000 2.105 1.760 3.392 0.040 3 0 "[ . 1]" 1
324 1 49 TYR QE 1 65 LEU QD 5.000 . 5.000 2.859 2.245 3.442 . 0 0 "[ . 1]" 1
325 1 49 TYR H 1 65 LEU QD 5.000 . 5.000 4.361 3.788 5.110 0.110 7 0 "[ . 1]" 1
326 1 49 TYR QD 1 69 ILE MG 5.000 . 5.000 4.190 3.083 5.048 0.048 4 0 "[ . 1]" 1
327 1 49 TYR QE 1 69 ILE MD 5.000 . 5.000 2.417 1.771 4.585 0.029 1 0 "[ . 1]" 1
328 1 49 TYR QE 1 69 ILE MG 5.000 . 5.000 2.664 1.765 3.240 0.035 10 0 "[ . 1]" 1
329 1 49 TYR QE 1 70 PRO QD 5.000 . 5.000 4.336 3.592 5.075 0.075 6 0 "[ . 1]" 1
330 1 49 TYR QD 1 73 LEU QD 5.000 . 5.000 3.714 3.174 4.498 . 0 0 "[ . 1]" 1
331 1 49 TYR QE 1 73 LEU QD 5.000 . 5.000 2.533 1.738 4.490 0.062 3 0 "[ . 1]" 1
332 1 49 TYR H 1 73 LEU QD 5.000 . 5.000 5.193 5.050 5.393 0.393 10 0 "[ . 1]" 1
333 1 50 ILE H 1 51 TYR H 5.000 . 5.000 2.683 2.348 2.991 . 0 0 "[ . 1]" 1
334 1 51 TYR H 1 52 ALA H 5.000 . 5.000 2.881 2.515 3.276 . 0 0 "[ . 1]" 1
335 1 52 ALA H 1 52 ALA MB 3.500 . 3.500 2.134 2.086 2.246 . 0 0 "[ . 1]" 1
336 1 52 ALA MB 1 53 PHE H 5.000 . 5.000 2.623 2.507 2.771 . 0 0 "[ . 1]" 1
337 1 52 ALA H 1 53 PHE H 5.000 . 5.000 2.571 2.501 2.722 . 0 0 "[ . 1]" 1
338 1 52 ALA MB 1 55 GLU QB 5.000 . 5.000 3.852 3.438 4.322 . 0 0 "[ . 1]" 1
339 1 52 ALA MB 1 55 GLU H 5.000 . 5.000 4.436 4.251 4.616 . 0 0 "[ . 1]" 1
340 1 52 ALA MB 1 56 GLU H 5.000 . 5.000 4.814 4.615 5.004 0.004 5 0 "[ . 1]" 1
341 1 53 PHE HA 1 53 PHE QE 5.000 . 5.000 4.431 4.165 5.392 0.392 5 0 "[ . 1]" 1
342 1 53 PHE H 1 53 PHE QD 5.000 . 5.000 2.747 2.415 2.951 . 0 0 "[ . 1]" 1
343 1 53 PHE H 1 53 PHE QE 5.000 . 5.000 4.967 4.698 5.106 0.106 8 0 "[ . 1]" 1
344 1 53 PHE HA 1 54 TYR H 5.000 . 5.000 3.496 3.421 3.578 . 0 0 "[ . 1]" 1
345 1 53 PHE QB 1 54 TYR H 5.000 . 5.000 2.915 2.495 3.557 . 0 0 "[ . 1]" 1
346 1 53 PHE QD 1 54 TYR H 5.000 . 5.000 4.366 2.084 4.722 . 0 0 "[ . 1]" 1
347 1 53 PHE H 1 54 TYR QB 5.000 . 5.000 4.750 4.386 5.035 0.035 2 0 "[ . 1]" 1
348 1 53 PHE QE 1 60 ALA MB 5.000 . 5.000 4.897 4.343 5.164 0.164 8 0 "[ . 1]" 1
349 1 53 PHE QD 1 64 ALA MB 5.000 . 5.000 4.320 3.314 5.013 0.013 2 0 "[ . 1]" 1
350 1 53 PHE QB 1 65 LEU QD 3.500 . 3.500 3.423 3.112 3.571 0.071 9 0 "[ . 1]" 1
351 1 53 PHE QD 1 65 LEU HA 5.000 . 5.000 4.574 4.172 5.004 0.004 8 0 "[ . 1]" 1
352 1 53 PHE QD 1 65 LEU QD 5.000 . 5.000 3.087 2.048 3.985 . 0 0 "[ . 1]" 1
353 1 53 PHE H 1 65 LEU QD 5.000 . 5.000 4.815 4.312 5.127 0.127 10 0 "[ . 1]" 1
354 1 53 PHE QD 1 68 ARG QD 5.000 . 5.000 4.564 4.032 5.004 0.004 1 0 "[ . 1]" 1
355 1 54 TYR H 1 54 TYR QD 5.000 . 5.000 2.811 2.413 3.221 . 0 0 "[ . 1]" 1
356 1 54 TYR H 1 55 GLU H 5.000 . 5.000 2.606 2.439 2.771 . 0 0 "[ . 1]" 1
357 1 54 TYR H 1 56 GLU H 5.000 . 5.000 3.893 3.635 4.096 . 0 0 "[ . 1]" 1
358 1 54 TYR QE 1 60 ALA HA 5.000 . 5.000 4.752 3.229 5.062 0.062 5 0 "[ . 1]" 1
359 1 54 TYR QE 1 60 ALA MB 5.000 . 5.000 3.792 1.910 5.016 0.016 9 0 "[ . 1]" 1
360 1 54 TYR QE 1 60 ALA H 5.000 . 5.000 4.170 2.409 5.031 0.031 3 0 "[ . 1]" 1
361 1 55 GLU HA 1 55 GLU QG 3.500 . 3.500 2.288 2.028 2.677 . 0 0 "[ . 1]" 1
362 1 55 GLU H 1 55 GLU QG 5.000 . 5.000 3.135 1.992 4.055 . 0 0 "[ . 1]" 1
363 1 55 GLU HA 1 56 GLU H 5.000 . 5.000 3.476 3.400 3.519 . 0 0 "[ . 1]" 1
364 1 55 GLU QB 1 56 GLU H 5.000 . 5.000 2.878 2.785 3.049 . 0 0 "[ . 1]" 1
365 1 55 GLU QG 1 56 GLU H 5.000 . 5.000 4.399 3.952 4.698 . 0 0 "[ . 1]" 1
366 1 55 GLU H 1 56 GLU H 5.000 . 5.000 2.570 2.455 2.686 . 0 0 "[ . 1]" 1
367 1 55 GLU H 1 57 GLY H 5.000 . 5.000 4.384 3.787 5.017 0.017 9 0 "[ . 1]" 1
368 1 56 GLU H 1 56 GLU QG 5.000 . 5.000 3.236 2.203 4.064 . 0 0 "[ . 1]" 1
369 1 56 GLU HA 1 57 GLY H 5.000 . 5.000 3.515 3.428 3.599 . 0 0 "[ . 1]" 1
370 1 56 GLU H 1 57 GLY H 5.000 . 5.000 2.598 2.079 3.020 . 0 0 "[ . 1]" 1
371 1 56 GLU QB 1 58 HIS H 5.000 . 5.000 4.253 3.718 5.116 0.116 8 0 "[ . 1]" 1
372 1 56 GLU QB 1 58 HIS HD2 5.000 . 5.000 3.494 1.964 5.098 0.098 9 0 "[ . 1]" 1
373 1 56 GLU H 1 58 HIS HD2 5.000 . 5.000 4.625 3.896 4.999 . 0 0 "[ . 1]" 1
374 1 56 GLU H 1 58 HIS H 5.000 . 5.000 4.623 3.373 5.102 0.102 5 0 "[ . 1]" 1
375 1 57 GLY QA 1 58 HIS H 5.000 . 5.000 2.480 2.143 2.945 . 0 0 "[ . 1]" 1
376 1 57 GLY H 1 58 HIS H 5.000 . 5.000 2.896 1.973 4.188 . 0 0 "[ . 1]" 1
377 1 57 GLY H 1 59 GLU H 5.000 . 5.000 4.336 2.905 5.065 0.065 10 0 "[ . 1]" 1
378 1 58 HIS H 1 58 HIS HD2 5.000 . 5.000 2.971 1.983 4.368 . 0 0 "[ . 1]" 1
379 1 58 HIS HA 1 59 GLU H 5.000 . 5.000 2.973 2.114 3.536 . 0 0 "[ . 1]" 1
380 1 58 HIS QB 1 59 GLU H 5.000 . 5.000 3.641 3.245 4.040 . 0 0 "[ . 1]" 1
381 1 58 HIS H 1 59 GLU H 5.000 . 5.000 2.434 1.755 3.994 0.045 6 0 "[ . 1]" 1
382 1 59 GLU H 1 59 GLU QG 5.000 . 5.000 3.884 3.236 4.274 . 0 0 "[ . 1]" 1
383 1 59 GLU HA 1 60 ALA H 5.000 . 5.000 2.726 2.111 3.541 . 0 0 "[ . 1]" 1
384 1 59 GLU QB 1 60 ALA H 5.000 . 5.000 2.933 1.812 3.961 . 0 0 "[ . 1]" 1
385 1 59 GLU QG 1 60 ALA H 5.000 . 5.000 3.092 1.946 4.505 . 0 0 "[ . 1]" 1
386 1 59 GLU H 1 60 ALA H 5.000 . 5.000 3.944 2.654 4.652 . 0 0 "[ . 1]" 1
387 1 60 ALA H 1 60 ALA MB 3.500 . 3.500 2.714 2.058 3.056 . 0 0 "[ . 1]" 1
388 1 60 ALA HA 1 61 ASP H 5.000 . 5.000 2.821 2.196 3.580 . 0 0 "[ . 1]" 1
389 1 60 ALA MB 1 61 ASP H 5.000 . 5.000 2.740 1.875 3.719 . 0 0 "[ . 1]" 1
390 1 60 ALA H 1 61 ASP H 5.000 . 5.000 3.877 2.867 4.651 . 0 0 "[ . 1]" 1
391 1 61 ASP QB 1 64 ALA MB 3.500 . 3.500 2.215 1.810 2.974 . 0 0 "[ . 1]" 1
392 1 61 ASP H 1 64 ALA MB 5.000 . 5.000 4.570 3.712 5.047 0.047 3 0 "[ . 1]" 1
393 1 62 PRO HA 1 63 GLY H 5.000 . 5.000 3.555 3.501 3.579 . 0 0 "[ . 1]" 1
394 1 62 PRO HA 1 65 LEU QD 5.000 . 5.000 3.043 2.409 4.146 . 0 0 "[ . 1]" 1
395 1 63 GLY QA 1 64 ALA H 5.000 . 5.000 2.769 2.597 2.886 . 0 0 "[ . 1]" 1
396 1 63 GLY H 1 64 ALA MB 5.000 . 5.000 4.460 4.337 4.589 . 0 0 "[ . 1]" 1
397 1 63 GLY H 1 64 ALA H 5.000 . 5.000 2.800 2.747 2.929 . 0 0 "[ . 1]" 1
398 1 63 GLY H 1 66 ILE MD 5.000 . 5.000 5.044 4.950 5.118 0.118 4 0 "[ . 1]" 1
399 1 64 ALA H 1 64 ALA MB 3.500 . 3.500 2.176 2.087 2.267 . 0 0 "[ . 1]" 1
400 1 64 ALA HA 1 65 LEU H 5.000 . 5.000 3.534 3.455 3.598 . 0 0 "[ . 1]" 1
401 1 64 ALA MB 1 65 LEU HA 5.000 . 5.000 3.764 3.647 3.857 . 0 0 "[ . 1]" 1
402 1 64 ALA MB 1 65 LEU H 3.500 . 3.500 2.522 2.242 2.818 . 0 0 "[ . 1]" 1
403 1 64 ALA H 1 65 LEU QD 5.000 . 5.000 4.925 4.263 5.178 0.178 2 0 "[ . 1]" 1
404 1 64 ALA H 1 65 LEU H 5.000 . 5.000 2.500 2.310 2.662 . 0 0 "[ . 1]" 1
405 1 64 ALA MB 1 67 SER QB 5.000 . 5.000 4.782 4.418 5.016 0.016 3 0 "[ . 1]" 1
406 1 64 ALA MB 1 67 SER H 5.000 . 5.000 4.806 4.503 4.920 . 0 0 "[ . 1]" 1
407 1 65 LEU H 1 65 LEU QD 5.000 . 5.000 3.390 2.848 3.646 . 0 0 "[ . 1]" 1
408 1 65 LEU H 1 65 LEU HG 5.000 . 5.000 3.752 2.454 4.621 . 0 0 "[ . 1]" 1
409 1 65 LEU QD 1 66 ILE H 5.000 . 5.000 2.941 2.293 3.588 . 0 0 "[ . 1]" 1
410 1 65 LEU H 1 66 ILE H 5.000 . 5.000 2.691 2.544 2.990 . 0 0 "[ . 1]" 1
411 1 65 LEU QD 1 67 SER H 5.000 . 5.000 4.420 4.087 5.027 0.027 7 0 "[ . 1]" 1
412 1 65 LEU QD 1 68 ARG QD 5.000 . 5.000 4.256 3.374 5.029 0.029 6 0 "[ . 1]" 1
413 1 65 LEU QD 1 68 ARG H 5.000 . 5.000 4.376 3.902 5.057 0.057 7 0 "[ . 1]" 1
414 1 65 LEU QD 1 68 ARG QG 5.000 . 5.000 4.636 3.392 5.017 0.017 1 0 "[ . 1]" 1
415 1 65 LEU QD 1 69 ILE MD 3.500 . 3.500 3.220 2.681 3.558 0.058 6 0 "[ . 1]" 1
416 1 65 LEU QD 1 69 ILE H 5.000 . 5.000 4.736 3.537 5.109 0.109 3 0 "[ . 1]" 1
417 1 65 LEU HG 1 69 ILE MD 5.000 . 5.000 4.800 3.870 5.123 0.123 10 0 "[ . 1]" 1
418 1 65 LEU QD 1 77 ALA MB 5.000 . 5.000 3.700 3.281 4.263 . 0 0 "[ . 1]" 1
419 1 66 ILE HB 1 66 ILE MD 3.500 . 3.500 3.147 3.050 3.212 . 0 0 "[ . 1]" 1
420 1 66 ILE MD 1 66 ILE MG 3.500 . 3.500 2.619 2.398 2.885 . 0 0 "[ . 1]" 1
421 1 66 ILE H 1 66 ILE MD 5.000 . 5.000 2.155 1.869 2.570 . 0 0 "[ . 1]" 1
422 1 66 ILE H 1 66 ILE QG 5.000 . 5.000 2.492 2.196 2.915 . 0 0 "[ . 1]" 1
423 1 66 ILE HB 1 67 SER H 5.000 . 5.000 2.938 2.890 2.982 . 0 0 "[ . 1]" 1
424 1 66 ILE MD 1 67 SER H 5.000 . 5.000 4.169 4.050 4.368 . 0 0 "[ . 1]" 1
425 1 66 ILE QG 1 67 SER H 5.000 . 5.000 4.210 3.997 4.557 . 0 0 "[ . 1]" 1
426 1 66 ILE MG 1 67 SER QB 5.000 . 5.000 4.463 3.787 4.932 . 0 0 "[ . 1]" 1
427 1 66 ILE MG 1 67 SER HA 5.000 . 5.000 3.817 3.428 4.017 . 0 0 "[ . 1]" 1
428 1 66 ILE MG 1 67 SER H 5.000 . 5.000 3.785 3.453 3.953 . 0 0 "[ . 1]" 1
429 1 66 ILE H 1 67 SER H 5.000 . 5.000 2.698 2.620 2.758 . 0 0 "[ . 1]" 1
430 1 66 ILE HA 1 69 ILE MD 5.000 . 5.000 2.245 1.950 2.444 . 0 0 "[ . 1]" 1
431 1 66 ILE HA 1 69 ILE H 5.000 . 5.000 4.354 3.542 4.742 . 0 0 "[ . 1]" 1
432 1 66 ILE MD 1 69 ILE MD 3.500 . 3.500 3.256 2.781 3.557 0.057 1 0 "[ . 1]" 1
433 1 66 ILE MG 1 69 ILE MD 3.500 . 3.500 2.617 1.722 3.312 0.078 9 0 "[ . 1]" 1
434 1 66 ILE MG 1 69 ILE H 5.000 . 5.000 4.807 4.550 5.035 0.035 7 0 "[ . 1]" 1
435 1 66 ILE H 1 69 ILE MD 5.000 . 5.000 4.473 4.310 4.691 . 0 0 "[ . 1]" 1
436 1 66 ILE MG 1 74 GLN QE 5.000 . 5.000 4.325 3.393 5.058 0.058 10 0 "[ . 1]" 1
437 1 66 ILE MG 1 74 GLN QG 5.000 . 5.000 4.369 3.585 5.093 0.093 9 0 "[ . 1]" 1
438 1 66 ILE HA 1 77 ALA MB 5.000 . 5.000 3.010 2.754 3.285 . 0 0 "[ . 1]" 1
439 1 66 ILE MD 1 77 ALA HA 5.000 . 5.000 4.311 3.714 4.821 . 0 0 "[ . 1]" 1
440 1 66 ILE MD 1 77 ALA MB 3.500 . 3.500 2.433 2.162 2.802 . 0 0 "[ . 1]" 1
441 1 66 ILE QG 1 77 ALA MB 5.000 . 5.000 3.395 2.810 4.330 . 0 0 "[ . 1]" 1
442 1 66 ILE MG 1 77 ALA MB 3.500 . 3.500 2.248 1.792 2.946 0.008 2 0 "[ . 1]" 1
443 1 66 ILE MG 1 77 ALA H 5.000 . 5.000 4.309 3.784 5.025 0.025 10 0 "[ . 1]" 1
444 1 66 ILE MD 1 78 SER H 5.000 . 5.000 4.905 4.486 5.026 0.026 3 0 "[ . 1]" 1
445 1 66 ILE MG 1 78 SER H 5.000 . 5.000 2.804 2.320 3.186 . 0 0 "[ . 1]" 1
446 1 66 ILE MG 1 80 LEU H 5.000 . 5.000 5.011 4.680 5.150 0.150 9 0 "[ . 1]" 1
447 1 66 ILE MD 1 81 SER HA 5.000 . 5.000 4.030 3.471 4.194 . 0 0 "[ . 1]" 1
448 1 66 ILE MD 1 81 SER H 5.000 . 5.000 4.915 4.641 5.066 0.066 6 0 "[ . 1]" 1
449 1 67 SER H 1 67 SER QB 3.500 . 3.500 2.383 2.161 2.989 . 0 0 "[ . 1]" 1
450 1 67 SER HA 1 68 ARG H 5.000 . 5.000 2.808 2.576 3.074 . 0 0 "[ . 1]" 1
451 1 67 SER QB 1 68 ARG H 5.000 . 5.000 3.931 3.708 4.084 . 0 0 "[ . 1]" 1
452 1 67 SER H 1 68 ARG QB 5.000 . 5.000 4.219 3.818 4.799 . 0 0 "[ . 1]" 1
453 1 67 SER H 1 68 ARG QD 5.000 . 5.000 4.770 4.022 5.011 0.011 10 0 "[ . 1]" 1
454 1 67 SER H 1 68 ARG H 5.000 . 5.000 3.144 2.760 3.534 . 0 0 "[ . 1]" 1
455 1 67 SER HA 1 69 ILE H 5.000 . 5.000 3.981 3.506 4.664 . 0 0 "[ . 1]" 1
456 1 67 SER H 1 69 ILE MD 5.000 . 5.000 4.311 4.071 4.659 . 0 0 "[ . 1]" 1
457 1 67 SER HA 1 74 GLN QE 5.000 . 5.000 2.511 1.946 3.540 . 0 0 "[ . 1]" 1
458 1 68 ARG HA 1 68 ARG QD 5.000 . 5.000 3.545 2.158 4.240 . 0 0 "[ . 1]" 1
459 1 68 ARG H 1 68 ARG QD 5.000 . 5.000 4.314 4.094 4.566 . 0 0 "[ . 1]" 1
460 1 68 ARG H 1 68 ARG QG 5.000 . 5.000 3.654 2.973 4.263 . 0 0 "[ . 1]" 1
461 1 68 ARG HA 1 69 ILE H 5.000 . 5.000 3.358 3.092 3.547 . 0 0 "[ . 1]" 1
462 1 68 ARG QG 1 69 ILE H 5.000 . 5.000 4.311 3.868 4.667 . 0 0 "[ . 1]" 1
463 1 68 ARG H 1 69 ILE QG 5.000 . 5.000 2.686 2.320 3.231 . 0 0 "[ . 1]" 1
464 1 68 ARG H 1 69 ILE MD 5.000 . 5.000 2.787 2.108 3.898 . 0 0 "[ . 1]" 1
465 1 68 ARG H 1 69 ILE MG 5.000 . 5.000 4.607 4.309 5.034 0.034 2 0 "[ . 1]" 1
466 1 68 ARG H 1 69 ILE H 5.000 . 5.000 1.890 1.791 1.985 0.009 2 0 "[ . 1]" 1
467 1 68 ARG H 1 73 LEU QD 5.000 . 5.000 5.135 5.056 5.279 0.279 9 0 "[ . 1]" 1
468 1 69 ILE MD 1 69 ILE MG 3.500 . 3.500 2.164 1.771 3.053 0.029 6 0 "[ . 1]" 1
469 1 69 ILE H 1 69 ILE MD 5.000 . 5.000 2.510 1.918 3.492 . 0 0 "[ . 1]" 1
470 1 69 ILE H 1 69 ILE QG 5.000 . 5.000 1.788 1.751 1.808 0.049 9 0 "[ . 1]" 1
471 1 69 ILE HA 1 70 PRO QD 5.000 . 5.000 1.938 1.845 2.061 . 0 0 "[ . 1]" 1
472 1 69 ILE MD 1 70 PRO QD 5.000 . 5.000 4.224 3.463 5.123 0.123 10 0 "[ . 1]" 1
473 1 69 ILE MG 1 70 PRO QD 5.000 . 5.000 2.228 1.665 3.456 0.135 2 0 "[ . 1]" 1
474 1 69 ILE MD 1 73 LEU QB 5.000 . 5.000 3.014 2.040 3.636 . 0 0 "[ . 1]" 1
475 1 69 ILE MD 1 73 LEU QD 5.000 . 5.000 2.575 1.778 4.096 0.022 1 0 "[ . 1]" 1
476 1 69 ILE MD 1 73 LEU HA 5.000 . 5.000 4.548 3.989 5.029 0.029 4 0 "[ . 1]" 1
477 1 69 ILE MD 1 73 LEU H 5.000 . 5.000 4.982 4.356 5.297 0.297 10 0 "[ . 1]" 1
478 1 69 ILE MG 1 73 LEU QB 5.000 . 5.000 1.888 1.704 2.536 0.096 2 0 "[ . 1]" 1
479 1 69 ILE MG 1 73 LEU QD 3.500 . 3.500 1.779 1.704 2.031 0.096 7 0 "[ . 1]" 1
480 1 69 ILE MG 1 73 LEU H 5.000 . 5.000 3.343 2.128 4.961 . 0 0 "[ . 1]" 1
481 1 69 ILE MD 1 74 GLN QE 5.000 . 5.000 3.827 2.710 4.328 . 0 0 "[ . 1]" 1
482 1 69 ILE MD 1 74 GLN H 5.000 . 5.000 4.188 3.474 4.712 . 0 0 "[ . 1]" 1
483 1 69 ILE MD 1 74 GLN HA 5.000 . 5.000 2.785 1.743 3.452 0.057 10 0 "[ . 1]" 1
484 1 69 ILE MD 1 74 GLN QG 5.000 . 5.000 3.372 2.459 3.932 . 0 0 "[ . 1]" 1
485 1 69 ILE MG 1 74 GLN HA 5.000 . 5.000 3.946 3.008 5.034 0.034 2 0 "[ . 1]" 1
486 1 69 ILE MG 1 74 GLN QE 5.000 . 5.000 4.943 4.416 5.046 0.046 10 0 "[ . 1]" 1
487 1 69 ILE MG 1 74 GLN QG 5.000 . 5.000 3.980 3.292 4.924 . 0 0 "[ . 1]" 1
488 1 69 ILE MG 1 74 GLN H 5.000 . 5.000 3.622 2.362 4.822 . 0 0 "[ . 1]" 1
489 1 69 ILE MD 1 77 ALA MB 3.500 . 3.500 2.223 1.674 2.610 0.126 9 0 "[ . 1]" 1
490 1 69 ILE MD 1 77 ALA H 5.000 . 5.000 3.938 2.970 4.566 . 0 0 "[ . 1]" 1
491 1 69 ILE MD 1 78 SER H 5.000 . 5.000 4.312 2.363 5.050 0.050 8 0 "[ . 1]" 1
492 1 70 PRO HA 1 71 GLY H 5.000 . 5.000 3.337 2.128 3.617 . 0 0 "[ . 1]" 1
493 1 70 PRO QB 1 71 GLY H 5.000 . 5.000 2.387 1.740 3.174 0.060 6 0 "[ . 1]" 1
494 1 70 PRO QB 1 72 GLU H 5.000 . 5.000 4.011 3.158 5.043 0.043 9 0 "[ . 1]" 1
495 1 70 PRO QD 1 73 LEU QD 5.000 . 5.000 2.906 1.783 4.387 0.017 10 0 "[ . 1]" 1
496 1 70 PRO QD 1 73 LEU HG 5.000 . 5.000 4.661 3.900 5.090 0.090 2 0 "[ . 1]" 1
497 1 71 GLY QA 1 72 GLU H 5.000 . 5.000 2.511 2.082 2.859 . 0 0 "[ . 1]" 1
498 1 71 GLY H 1 72 GLU H 5.000 . 5.000 2.829 1.856 4.466 . 0 0 "[ . 1]" 1
499 1 71 GLY QA 1 74 GLN QG 5.000 . 5.000 2.945 2.055 5.048 0.048 10 0 "[ . 1]" 1
500 1 71 GLY QA 1 74 GLN H 5.000 . 5.000 3.715 3.470 4.076 . 0 0 "[ . 1]" 1
501 1 72 GLU HA 1 72 GLU QG 3.500 . 3.500 2.324 2.033 3.339 . 0 0 "[ . 1]" 1
502 1 72 GLU H 1 72 GLU QG 5.000 . 5.000 3.221 1.986 3.840 . 0 0 "[ . 1]" 1
503 1 72 GLU HA 1 73 LEU H 5.000 . 5.000 3.512 3.375 3.579 . 0 0 "[ . 1]" 1
504 1 72 GLU H 1 73 LEU H 5.000 . 5.000 2.692 2.428 3.039 . 0 0 "[ . 1]" 1
505 1 72 GLU HA 1 74 GLN H 5.000 . 5.000 3.830 3.652 4.095 . 0 0 "[ . 1]" 1
506 1 72 GLU H 1 74 GLN H 5.000 . 5.000 3.923 3.387 4.367 . 0 0 "[ . 1]" 1
507 1 73 LEU H 1 73 LEU QD 5.000 . 5.000 3.192 1.719 3.794 0.081 6 0 "[ . 1]" 1
508 1 73 LEU H 1 73 LEU HG 5.000 . 5.000 3.857 2.307 4.369 . 0 0 "[ . 1]" 1
509 1 73 LEU QD 1 74 GLN H 5.000 . 5.000 3.838 2.239 4.327 . 0 0 "[ . 1]" 1
510 1 73 LEU H 1 74 GLN HA 5.000 . 5.000 4.968 4.847 5.045 0.045 6 0 "[ . 1]" 1
511 1 73 LEU H 1 74 GLN QB 5.000 . 5.000 4.376 4.059 4.917 . 0 0 "[ . 1]" 1
512 1 73 LEU H 1 74 GLN QG 5.000 . 5.000 4.521 3.555 5.074 0.074 10 0 "[ . 1]" 1
513 1 73 LEU H 1 74 GLN H 5.000 . 5.000 2.456 2.331 2.550 . 0 0 "[ . 1]" 1
514 1 73 LEU QD 1 76 LEU H 5.000 . 5.000 4.681 3.907 5.232 0.232 10 0 "[ . 1]" 1
515 1 73 LEU QD 1 77 ALA H 5.000 . 5.000 3.609 2.040 4.963 . 0 0 "[ . 1]" 1
516 1 74 GLN HA 1 74 GLN QE 5.000 . 5.000 3.610 2.984 4.136 . 0 0 "[ . 1]" 1
517 1 74 GLN H 1 74 GLN QG 5.000 . 5.000 2.840 1.905 3.423 . 0 0 "[ . 1]" 1
518 1 74 GLN HA 1 77 ALA MB 5.000 . 5.000 3.255 3.050 3.537 . 0 0 "[ . 1]" 1
519 1 74 GLN HA 1 77 ALA H 5.000 . 5.000 4.003 3.854 4.157 . 0 0 "[ . 1]" 1
520 1 74 GLN QB 1 77 ALA MB 5.000 . 5.000 4.881 4.748 5.095 0.095 10 0 "[ . 1]" 1
521 1 74 GLN H 1 77 ALA MB 5.000 . 5.000 4.656 4.510 5.028 0.028 9 0 "[ . 1]" 1
522 1 74 GLN HA 1 78 SER H 5.000 . 5.000 3.856 3.088 4.211 . 0 0 "[ . 1]" 1
523 1 76 LEU H 1 76 LEU QD 5.000 . 5.000 3.142 2.326 3.594 . 0 0 "[ . 1]" 1
524 1 76 LEU HA 1 77 ALA MB 5.000 . 5.000 5.034 5.009 5.054 0.054 3 0 "[ . 1]" 1
525 1 76 LEU HA 1 77 ALA H 5.000 . 5.000 3.567 3.559 3.573 . 0 0 "[ . 1]" 1
526 1 76 LEU QD 1 77 ALA H 5.000 . 5.000 3.754 3.250 3.924 . 0 0 "[ . 1]" 1
527 1 76 LEU H 1 77 ALA MB 5.000 . 5.000 4.407 4.375 4.474 . 0 0 "[ . 1]" 1
528 1 76 LEU H 1 77 ALA H 5.000 . 5.000 2.822 2.782 2.872 . 0 0 "[ . 1]" 1
529 1 76 LEU H 1 78 SER H 5.000 . 5.000 4.127 3.919 4.241 . 0 0 "[ . 1]" 1
530 1 76 LEU HA 1 79 GLU QG 5.000 . 5.000 4.166 2.145 4.973 . 0 0 "[ . 1]" 1
531 1 76 LEU HA 1 79 GLU H 5.000 . 5.000 3.867 3.756 4.190 . 0 0 "[ . 1]" 1
532 1 76 LEU QD 1 80 LEU QD 3.500 . 3.500 2.627 1.807 3.532 0.032 9 0 "[ . 1]" 1
533 1 77 ALA H 1 77 ALA MB 3.500 . 3.500 2.161 2.053 2.245 . 0 0 "[ . 1]" 1
534 1 77 ALA HA 1 78 SER H 5.000 . 5.000 3.557 3.519 3.576 . 0 0 "[ . 1]" 1
535 1 77 ALA MB 1 78 SER H 5.000 . 5.000 2.562 2.377 2.794 . 0 0 "[ . 1]" 1
536 1 77 ALA H 1 78 SER H 5.000 . 5.000 2.773 2.640 2.879 . 0 0 "[ . 1]" 1
537 1 77 ALA HA 1 80 LEU H 5.000 . 5.000 3.165 3.044 3.237 . 0 0 "[ . 1]" 1
538 1 77 ALA HA 1 80 LEU QD 5.000 . 5.000 2.711 2.339 2.999 . 0 0 "[ . 1]" 1
539 1 77 ALA MB 1 80 LEU H 5.000 . 5.000 4.296 4.201 4.352 . 0 0 "[ . 1]" 1
540 1 77 ALA MB 1 81 SER H 5.000 . 5.000 4.670 4.442 4.859 . 0 0 "[ . 1]" 1
541 1 78 SER QB 1 79 GLU H 5.000 . 5.000 2.561 2.413 3.289 . 0 0 "[ . 1]" 1
542 1 78 SER H 1 79 GLU H 5.000 . 5.000 2.815 2.800 2.831 . 0 0 "[ . 1]" 1
543 1 79 GLU H 1 79 GLU QG 5.000 . 5.000 2.929 2.211 3.988 . 0 0 "[ . 1]" 1
544 1 79 GLU QG 1 80 LEU H 5.000 . 5.000 4.096 2.240 4.654 . 0 0 "[ . 1]" 1
545 1 79 GLU H 1 80 LEU QD 5.000 . 5.000 4.298 3.616 4.753 . 0 0 "[ . 1]" 1
546 1 79 GLU H 1 80 LEU H 5.000 . 5.000 2.432 2.362 2.500 . 0 0 "[ . 1]" 1
547 1 80 LEU H 1 80 LEU QD 5.000 . 5.000 2.843 2.197 3.289 . 0 0 "[ . 1]" 1
548 1 80 LEU H 1 80 LEU HG 5.000 . 5.000 4.382 4.232 4.512 . 0 0 "[ . 1]" 1
549 1 80 LEU QD 1 81 SER HA 5.000 . 5.000 5.119 5.008 5.188 0.188 9 0 "[ . 1]" 1
550 1 80 LEU QD 1 81 SER H 5.000 . 5.000 4.238 3.908 4.395 . 0 0 "[ . 1]" 1
551 1 80 LEU H 1 81 SER H 5.000 . 5.000 2.573 2.486 2.685 . 0 0 "[ . 1]" 1
552 1 80 LEU QD 1 82 LEU H 5.000 . 5.000 4.809 4.669 5.007 0.007 5 0 "[ . 1]" 1
553 1 81 SER QB 1 82 LEU H 5.000 . 5.000 3.163 2.912 3.587 . 0 0 "[ . 1]" 1
554 1 81 SER H 1 82 LEU H 5.000 . 5.000 2.857 2.763 2.924 . 0 0 "[ . 1]" 1
555 1 81 SER HA 1 83 LEU H 5.000 . 5.000 4.701 4.521 4.873 . 0 0 "[ . 1]" 1
556 1 82 LEU H 1 82 LEU QD 5.000 . 5.000 3.832 3.661 4.169 . 0 0 "[ . 1]" 1
557 1 82 LEU QD 1 90 SER QB 5.000 . 5.000 5.158 5.112 5.240 0.240 3 0 "[ . 1]" 1
558 1 83 LEU HA 1 83 LEU QD 3.500 . 3.500 2.513 1.827 3.408 . 0 0 "[ . 1]" 1
559 1 83 LEU H 1 83 LEU QD 3.500 . 3.500 3.296 1.935 3.589 0.089 4 0 "[ . 1]" 1
560 1 83 LEU H 1 83 LEU HG 3.500 . 3.500 3.464 2.996 3.596 0.096 1 0 "[ . 1]" 1
561 1 83 LEU HA 1 84 LEU QB 5.000 . 5.000 4.531 4.355 4.732 . 0 0 "[ . 1]" 1
562 1 83 LEU HA 1 84 LEU H 5.000 . 5.000 3.475 3.389 3.523 . 0 0 "[ . 1]" 1
563 1 83 LEU QB 1 84 LEU H 5.000 . 5.000 3.117 2.653 3.400 . 0 0 "[ . 1]" 1
564 1 83 LEU QD 1 84 LEU H 5.000 . 5.000 3.500 2.193 4.141 . 0 0 "[ . 1]" 1
565 1 83 LEU H 1 84 LEU HA 5.000 . 5.000 5.068 5.008 5.117 0.117 1 0 "[ . 1]" 1
566 1 83 LEU H 1 84 LEU H 5.000 . 5.000 2.569 2.383 2.704 . 0 0 "[ . 1]" 1
567 1 83 LEU HA 1 85 ILE MG 5.000 . 5.000 5.096 4.977 5.172 0.172 6 0 "[ . 1]" 1
568 1 84 LEU HA 1 84 LEU QD 3.500 . 3.500 3.080 2.071 3.435 . 0 0 "[ . 1]" 1
569 1 84 LEU H 1 84 LEU QD 5.000 . 5.000 3.157 1.795 3.997 0.005 6 0 "[ . 1]" 1
570 1 84 LEU HA 1 85 ILE H 3.500 . 3.500 2.639 2.267 3.168 . 0 0 "[ . 1]" 1
571 1 84 LEU QB 1 85 ILE H 5.000 . 5.000 3.998 3.858 4.057 . 0 0 "[ . 1]" 1
572 1 84 LEU QD 1 85 ILE H 5.000 . 5.000 3.864 2.331 4.401 . 0 0 "[ . 1]" 1
573 1 84 LEU HG 1 85 ILE MG 3.500 . 3.500 3.405 3.064 3.692 0.192 6 0 "[ . 1]" 1
574 1 84 LEU H 1 85 ILE MG 5.000 . 5.000 2.359 2.197 2.663 . 0 0 "[ . 1]" 1
575 1 84 LEU H 1 85 ILE H 5.000 . 5.000 2.441 1.732 3.065 0.068 6 0 "[ . 1]" 1
576 1 85 ILE HA 1 85 ILE MG 3.500 . 3.500 2.634 2.400 3.213 . 0 0 "[ . 1]" 1
577 1 85 ILE MD 1 85 ILE MG 3.500 . 3.500 1.910 1.781 2.088 0.019 1 0 "[ . 1]" 1
578 1 85 ILE H 1 85 ILE MD 5.000 . 5.000 3.529 2.155 4.882 . 0 0 "[ . 1]" 1
579 1 85 ILE H 1 85 ILE QG 5.000 . 5.000 3.007 2.223 4.065 . 0 0 "[ . 1]" 1
580 1 85 ILE HA 1 86 ALA MB 5.000 . 5.000 3.752 3.708 3.890 . 0 0 "[ . 1]" 1
581 1 85 ILE HA 1 86 ALA H 3.500 . 3.500 2.541 2.130 2.876 . 0 0 "[ . 1]" 1
582 1 85 ILE HB 1 86 ALA H 5.000 . 5.000 2.607 1.968 3.712 . 0 0 "[ . 1]" 1
583 1 85 ILE MD 1 86 ALA MB 5.000 . 5.000 4.826 4.169 5.050 0.050 4 0 "[ . 1]" 1
584 1 85 ILE MD 1 86 ALA H 5.000 . 5.000 3.738 3.427 4.326 . 0 0 "[ . 1]" 1
585 1 85 ILE MG 1 86 ALA MB 5.000 . 5.000 5.025 4.838 5.146 0.146 6 0 "[ . 1]" 1
586 1 85 ILE MG 1 86 ALA H 5.000 . 5.000 3.862 3.618 4.333 . 0 0 "[ . 1]" 1
587 1 85 ILE H 1 86 ALA MB 5.000 . 5.000 4.762 3.951 5.038 0.038 9 0 "[ . 1]" 1
588 1 85 ILE H 1 86 ALA H 5.000 . 5.000 4.293 4.175 4.411 . 0 0 "[ . 1]" 1
589 1 85 ILE MG 1 89 VAL H 5.000 . 5.000 5.099 5.034 5.143 0.143 4 0 "[ . 1]" 1
590 1 86 ALA H 1 86 ALA MB 3.500 . 3.500 2.643 2.409 2.762 . 0 0 "[ . 1]" 1
591 1 86 ALA HA 1 87 ASP QB 5.000 . 5.000 4.467 3.943 4.802 . 0 0 "[ . 1]" 1
592 1 86 ALA HA 1 87 ASP H 3.500 . 3.500 2.528 2.205 2.713 . 0 0 "[ . 1]" 1
593 1 86 ALA MB 1 87 ASP HA 5.000 . 5.000 4.396 4.136 4.875 . 0 0 "[ . 1]" 1
594 1 86 ALA MB 1 87 ASP QB 5.000 . 5.000 3.601 3.313 4.118 . 0 0 "[ . 1]" 1
595 1 86 ALA MB 1 87 ASP H 3.500 . 3.500 2.534 1.957 3.497 . 0 0 "[ . 1]" 1
596 1 86 ALA H 1 87 ASP H 5.000 . 5.000 4.201 3.715 4.510 . 0 0 "[ . 1]" 1
597 1 86 ALA HA 1 88 ASP H 5.000 . 5.000 4.246 4.076 4.480 . 0 0 "[ . 1]" 1
598 1 86 ALA MB 1 88 ASP H 3.500 . 3.500 2.750 2.149 3.609 0.109 6 0 "[ . 1]" 1
599 1 86 ALA MB 1 89 VAL HA 5.000 . 5.000 4.068 3.661 4.652 . 0 0 "[ . 1]" 1
600 1 86 ALA MB 1 89 VAL QG 5.000 . 5.000 4.561 4.259 5.094 0.094 8 0 "[ . 1]" 1
601 1 86 ALA MB 1 90 SER H 5.000 . 5.000 4.472 3.196 5.079 0.079 6 0 "[ . 1]" 1
602 1 87 ASP HA 1 88 ASP H 3.500 . 3.500 3.414 2.894 3.557 0.057 8 0 "[ . 1]" 1
603 1 87 ASP QB 1 88 ASP H 5.000 . 5.000 2.980 2.074 3.808 . 0 0 "[ . 1]" 1
604 1 87 ASP H 1 88 ASP H 5.000 . 5.000 3.037 2.660 3.699 . 0 0 "[ . 1]" 1
605 1 88 ASP H 1 88 ASP QB 3.500 . 3.500 2.572 2.235 3.261 . 0 0 "[ . 1]" 1
606 1 88 ASP QB 1 89 VAL H 3.500 . 3.500 3.590 3.500 3.746 0.246 3 0 "[ . 1]" 1
607 1 88 ASP H 1 89 VAL QG 5.000 . 5.000 4.450 4.167 4.939 . 0 0 "[ . 1]" 1
608 1 89 VAL H 1 89 VAL HB 3.500 . 3.500 3.393 2.961 3.594 0.094 4 0 "[ . 1]" 1
609 1 89 VAL H 1 89 VAL QG 3.500 . 3.500 2.841 2.391 3.376 . 0 0 "[ . 1]" 1
610 1 89 VAL HA 1 90 SER H 3.500 . 3.500 2.599 2.155 3.431 . 0 0 "[ . 1]" 1
611 1 89 VAL HB 1 90 SER H 5.000 . 5.000 3.631 1.801 4.591 . 0 0 "[ . 1]" 1
612 1 89 VAL QG 1 90 SER H 5.000 . 5.000 2.202 1.756 3.483 0.044 9 0 "[ . 1]" 1
613 1 89 VAL H 1 90 SER H 5.000 . 5.000 4.022 2.889 4.568 . 0 0 "[ . 1]" 1
614 1 89 VAL QG 1 93 GLU QG 5.000 . 5.000 4.676 3.511 5.012 0.012 5 0 "[ . 1]" 1
615 1 89 VAL QG 1 93 GLU H 5.000 . 5.000 4.995 4.831 5.082 0.082 10 0 "[ . 1]" 1
616 1 89 VAL QG 1 94 LEU QB 5.000 . 5.000 2.328 1.762 3.421 0.038 4 0 "[ . 1]" 1
617 1 89 VAL QG 1 94 LEU H 5.000 . 5.000 3.721 3.388 4.028 . 0 0 "[ . 1]" 1
618 1 89 VAL QG 1 94 LEU HA 5.000 . 5.000 3.691 3.159 4.313 . 0 0 "[ . 1]" 1
619 1 89 VAL QG 1 97 TYR QD 5.000 . 5.000 5.147 4.920 5.340 0.340 4 0 "[ . 1]" 1
620 1 89 VAL QG 1 97 TYR QE 5.000 . 5.000 3.795 3.307 4.640 . 0 0 "[ . 1]" 1
621 1 90 SER HA 1 91 GLU QB 5.000 . 5.000 4.138 4.014 4.298 . 0 0 "[ . 1]" 1
622 1 90 SER HA 1 91 GLU H 3.500 . 3.500 2.263 2.160 2.346 . 0 0 "[ . 1]" 1
623 1 90 SER QB 1 91 GLU H 5.000 . 5.000 3.964 3.920 3.992 . 0 0 "[ . 1]" 1
624 1 90 SER H 1 91 GLU QB 5.000 . 5.000 5.099 4.683 5.251 0.251 4 0 "[ . 1]" 1
625 1 90 SER H 1 91 GLU H 5.000 . 5.000 3.588 3.204 3.780 . 0 0 "[ . 1]" 1
626 1 90 SER HA 1 92 GLN H 5.000 . 5.000 3.917 3.530 4.286 . 0 0 "[ . 1]" 1
627 1 90 SER QB 1 92 GLN H 5.000 . 5.000 4.512 4.106 4.777 . 0 0 "[ . 1]" 1
628 1 90 SER QB 1 92 GLN QB 5.000 . 5.000 4.621 4.137 4.914 . 0 0 "[ . 1]" 1
629 1 90 SER H 1 93 GLU QG 5.000 . 5.000 4.853 4.371 5.066 0.066 1 0 "[ . 1]" 1
630 1 90 SER H 1 94 LEU QD 5.000 . 5.000 4.354 3.111 5.055 0.055 8 0 "[ . 1]" 1
631 1 91 GLU H 1 91 GLU QG 5.000 . 5.000 3.445 2.598 3.978 . 0 0 "[ . 1]" 1
632 1 91 GLU QG 1 92 GLN H 5.000 . 5.000 3.186 1.914 4.250 . 0 0 "[ . 1]" 1
633 1 91 GLU H 1 92 GLN H 5.000 . 5.000 3.062 2.996 3.187 . 0 0 "[ . 1]" 1
634 1 91 GLU HA 1 93 GLU H 5.000 . 5.000 4.427 4.165 4.779 . 0 0 "[ . 1]" 1
635 1 91 GLU H 1 93 GLU H 5.000 . 5.000 4.463 4.296 4.770 . 0 0 "[ . 1]" 1
636 1 91 GLU QB 1 94 LEU QD 5.000 . 5.000 3.648 3.122 4.566 . 0 0 "[ . 1]" 1
637 1 91 GLU QB 1 94 LEU H 5.000 . 5.000 4.612 4.453 4.910 . 0 0 "[ . 1]" 1
638 1 92 GLN HA 1 92 GLN QE 5.000 . 5.000 4.231 3.229 4.663 . 0 0 "[ . 1]" 1
639 1 92 GLN HA 1 92 GLN QG 3.500 . 3.500 2.379 2.207 2.708 . 0 0 "[ . 1]" 1
640 1 92 GLN H 1 92 GLN QB 3.500 . 3.500 2.294 2.075 2.555 . 0 0 "[ . 1]" 1
641 1 92 GLN H 1 92 GLN QG 5.000 . 5.000 3.267 2.358 4.008 . 0 0 "[ . 1]" 1
642 1 92 GLN QB 1 93 GLU H 5.000 . 5.000 2.449 2.307 2.572 . 0 0 "[ . 1]" 1
643 1 92 GLN H 1 93 GLU H 5.000 . 5.000 2.745 2.551 2.950 . 0 0 "[ . 1]" 1
644 1 92 GLN HA 1 95 GLU H 5.000 . 5.000 3.908 3.613 4.186 . 0 0 "[ . 1]" 1
645 1 93 GLU H 1 93 GLU QG 5.000 . 5.000 2.336 1.789 3.943 0.011 8 0 "[ . 1]" 1
646 1 93 GLU HA 1 94 LEU H 5.000 . 5.000 3.511 3.492 3.535 . 0 0 "[ . 1]" 1
647 1 93 GLU QG 1 94 LEU H 5.000 . 5.000 3.571 2.257 4.041 . 0 0 "[ . 1]" 1
648 1 93 GLU H 1 94 LEU H 5.000 . 5.000 2.498 2.403 2.553 . 0 0 "[ . 1]" 1
649 1 93 GLU H 1 95 GLU H 5.000 . 5.000 4.450 4.374 4.547 . 0 0 "[ . 1]" 1
650 1 93 GLU HA 1 96 ASP QB 5.000 . 5.000 2.120 1.849 2.546 . 0 0 "[ . 1]" 1
651 1 93 GLU HA 1 96 ASP H 5.000 . 5.000 3.190 3.053 3.383 . 0 0 "[ . 1]" 1
652 1 93 GLU QG 1 97 TYR QE 5.000 . 5.000 4.201 2.579 5.031 0.031 4 0 "[ . 1]" 1
653 1 94 LEU HA 1 94 LEU QD 3.500 . 3.500 2.153 1.904 2.725 . 0 0 "[ . 1]" 1
654 1 94 LEU HA 1 94 LEU HG 3.500 . 3.500 3.066 2.250 3.472 . 0 0 "[ . 1]" 1
655 1 94 LEU H 1 94 LEU QD 5.000 . 5.000 3.537 2.857 3.732 . 0 0 "[ . 1]" 1
656 1 94 LEU HA 1 95 GLU H 5.000 . 5.000 3.547 3.519 3.570 . 0 0 "[ . 1]" 1
657 1 94 LEU QB 1 95 GLU H 5.000 . 5.000 2.370 2.303 2.477 . 0 0 "[ . 1]" 1
658 1 94 LEU QD 1 95 GLU H 5.000 . 5.000 3.746 3.419 3.937 . 0 0 "[ . 1]" 1
659 1 94 LEU H 1 95 GLU H 5.000 . 5.000 2.882 2.826 2.952 . 0 0 "[ . 1]" 1
660 1 94 LEU HA 1 97 TYR QD 5.000 . 5.000 3.086 1.766 3.870 0.034 2 0 "[ . 1]" 1
661 1 94 LEU HA 1 97 TYR QE 5.000 . 5.000 2.461 1.762 3.227 0.038 10 0 "[ . 1]" 1
662 1 94 LEU QD 1 97 TYR QD 5.000 . 5.000 3.779 3.064 4.589 . 0 0 "[ . 1]" 1
663 1 94 LEU QD 1 97 TYR QE 5.000 . 5.000 2.574 1.902 3.862 . 0 0 "[ . 1]" 1
664 1 94 LEU HG 1 98 ILE MD 3.500 . 3.500 2.298 1.853 2.827 . 0 0 "[ . 1]" 1
665 1 95 GLU HA 1 95 GLU QG 3.500 . 3.500 2.717 2.151 3.412 . 0 0 "[ . 1]" 1
666 1 95 GLU H 1 95 GLU QG 5.000 . 5.000 2.819 1.975 4.006 . 0 0 "[ . 1]" 1
667 1 95 GLU QB 1 96 ASP H 5.000 . 5.000 3.088 2.725 3.604 . 0 0 "[ . 1]" 1
668 1 95 GLU QB 1 96 ASP QB 5.000 . 5.000 4.427 3.851 4.903 . 0 0 "[ . 1]" 1
669 1 95 GLU QG 1 96 ASP H 5.000 . 5.000 3.613 1.974 4.547 . 0 0 "[ . 1]" 1
670 1 95 GLU H 1 96 ASP H 5.000 . 5.000 2.492 2.438 2.553 . 0 0 "[ . 1]" 1
671 1 95 GLU HA 1 98 ILE HB 5.000 . 5.000 3.239 2.638 4.555 . 0 0 "[ . 1]" 1
672 1 95 GLU HA 1 98 ILE MD 3.500 . 3.500 2.981 2.352 3.558 0.058 4 0 "[ . 1]" 1
673 1 95 GLU HA 1 98 ILE H 5.000 . 5.000 3.765 3.377 4.007 . 0 0 "[ . 1]" 1
674 1 95 GLU H 1 98 ILE MD 5.000 . 5.000 4.234 3.970 4.719 . 0 0 "[ . 1]" 1
675 1 96 ASP H 1 96 ASP QB 3.500 . 3.500 2.195 2.044 2.446 . 0 0 "[ . 1]" 1
676 1 96 ASP HA 1 97 TYR H 5.000 . 5.000 3.553 3.478 3.579 . 0 0 "[ . 1]" 1
677 1 96 ASP QB 1 97 TYR H 5.000 . 5.000 2.494 2.251 2.928 . 0 0 "[ . 1]" 1
678 1 96 ASP H 1 97 TYR QB 5.000 . 5.000 4.937 4.444 5.164 0.164 8 0 "[ . 1]" 1
679 1 96 ASP H 1 97 TYR QE 5.000 . 5.000 5.133 5.076 5.211 0.211 7 0 "[ . 1]" 1
680 1 96 ASP H 1 97 TYR H 5.000 . 5.000 2.695 2.505 2.805 . 0 0 "[ . 1]" 1
681 1 96 ASP H 1 98 ILE MD 5.000 . 5.000 4.999 4.817 5.086 0.086 4 0 "[ . 1]" 1
682 1 96 ASP HA 1 99 ARG H 5.000 . 5.000 3.928 3.479 4.183 . 0 0 "[ . 1]" 1
683 1 96 ASP QB 1 109 MET ME 5.000 . 5.000 4.467 3.743 5.065 0.065 10 0 "[ . 1]" 1
684 1 97 TYR H 1 97 TYR QD 5.000 . 5.000 2.580 2.105 2.978 . 0 0 "[ . 1]" 1
685 1 97 TYR H 1 97 TYR QE 5.000 . 5.000 4.240 4.080 4.448 . 0 0 "[ . 1]" 1
686 1 97 TYR H 1 98 ILE H 5.000 . 5.000 2.671 2.573 2.841 . 0 0 "[ . 1]" 1
687 1 97 TYR H 1 112 VAL QG 5.000 . 5.000 5.016 4.480 5.165 0.165 9 0 "[ . 1]" 1
688 1 98 ILE MD 1 98 ILE MG 3.500 . 3.500 2.028 1.878 2.152 . 0 0 "[ . 1]" 1
689 1 98 ILE H 1 98 ILE MD 5.000 . 5.000 3.107 1.907 3.694 . 0 0 "[ . 1]" 1
690 1 98 ILE HB 1 99 ARG H 5.000 . 5.000 2.568 2.320 2.911 . 0 0 "[ . 1]" 1
691 1 98 ILE MD 1 99 ARG H 5.000 . 5.000 4.324 4.041 4.549 . 0 0 "[ . 1]" 1
692 1 98 ILE MG 1 99 ARG H 5.000 . 5.000 3.517 2.974 4.165 . 0 0 "[ . 1]" 1
693 1 98 ILE H 1 99 ARG H 5.000 . 5.000 2.687 2.460 2.885 . 0 0 "[ . 1]" 1
694 1 98 ILE HA 1 101 VAL QG 5.000 . 5.000 2.500 2.006 3.242 . 0 0 "[ . 1]" 1
695 1 98 ILE HA 1 101 VAL H 5.000 . 5.000 3.362 2.950 3.698 . 0 0 "[ . 1]" 1
696 1 98 ILE MG 1 101 VAL H 5.000 . 5.000 4.455 4.096 5.008 0.008 2 0 "[ . 1]" 1
697 1 99 ARG H 1 99 ARG QD 5.000 . 5.000 3.786 2.119 4.614 . 0 0 "[ . 1]" 1
698 1 99 ARG HA 1 100 HIS H 5.000 . 5.000 3.518 3.498 3.540 . 0 0 "[ . 1]" 1
699 1 99 ARG H 1 100 HIS H 5.000 . 5.000 2.670 2.566 2.729 . 0 0 "[ . 1]" 1
700 1 100 HIS H 1 100 HIS HD2 5.000 . 5.000 4.316 3.265 5.008 0.008 9 0 "[ . 1]" 1
701 1 100 HIS HA 1 101 VAL H 5.000 . 5.000 3.537 3.511 3.571 . 0 0 "[ . 1]" 1
702 1 100 HIS H 1 101 VAL HB 5.000 . 5.000 4.962 4.799 5.021 0.021 7 0 "[ . 1]" 1
703 1 100 HIS H 1 101 VAL QG 5.000 . 5.000 3.963 3.818 4.151 . 0 0 "[ . 1]" 1
704 1 101 VAL QG 1 102 LEU H 5.000 . 5.000 3.364 3.192 3.411 . 0 0 "[ . 1]" 1
705 1 101 VAL H 1 102 LEU H 5.000 . 5.000 2.614 2.453 2.857 . 0 0 "[ . 1]" 1
706 1 102 LEU H 1 102 LEU QD 5.000 . 5.000 3.553 3.110 3.721 . 0 0 "[ . 1]" 1
707 1 102 LEU H 1 102 LEU HG 5.000 . 5.000 4.297 3.107 4.498 . 0 0 "[ . 1]" 1
708 1 102 LEU QD 1 107 TRP HA 5.000 . 5.000 4.980 4.466 5.215 0.215 9 0 "[ . 1]" 1
709 1 107 TRP HA 1 107 TRP HD1 5.000 . 5.000 3.993 3.734 4.317 . 0 0 "[ . 1]" 1
710 1 107 TRP HA 1 107 TRP HE3 5.000 . 5.000 3.625 2.880 4.688 . 0 0 "[ . 1]" 1
711 1 107 TRP H 1 107 TRP HD1 5.000 . 5.000 3.801 1.796 5.084 0.084 4 0 "[ . 1]" 1
712 1 107 TRP HD1 1 108 LEU QD 5.000 . 5.000 4.852 3.491 5.083 0.083 6 0 "[ . 1]" 1
713 1 107 TRP HE3 1 108 LEU QD 5.000 . 5.000 3.348 2.619 4.283 . 0 0 "[ . 1]" 1
714 1 107 TRP HZ3 1 108 LEU QD 5.000 . 5.000 4.322 2.381 5.161 0.161 4 0 "[ . 1]" 1
715 1 107 TRP HZ3 1 110 LEU QD 5.000 . 5.000 4.323 2.458 5.056 0.056 4 0 "[ . 1]" 1
716 1 107 TRP HD1 1 143 LEU QD 5.000 . 5.000 3.904 2.957 5.017 0.017 4 0 "[ . 1]" 1
717 1 107 TRP HE1 1 143 LEU QD 5.000 . 5.000 4.520 2.745 5.122 0.122 9 0 "[ . 1]" 1
718 1 107 TRP H 1 143 LEU QD 5.000 . 5.000 3.946 2.465 5.015 0.015 2 0 "[ . 1]" 1
719 1 108 LEU HA 1 108 LEU QD 3.500 . 3.500 2.134 1.789 2.956 0.011 9 0 "[ . 1]" 1
720 1 108 LEU H 1 108 LEU QD 5.000 . 5.000 2.126 1.635 2.962 0.165 4 0 "[ . 1]" 1
721 1 108 LEU QD 1 109 MET H 5.000 . 5.000 3.674 1.759 4.219 0.041 4 0 "[ . 1]" 1
722 1 108 LEU H 1 109 MET H 5.000 . 5.000 2.713 2.415 2.929 . 0 0 "[ . 1]" 1
723 1 108 LEU QD 1 111 LYS H 5.000 . 5.000 4.270 3.640 4.770 . 0 0 "[ . 1]" 1
724 1 108 LEU QD 1 112 VAL H 5.000 . 5.000 4.673 3.878 5.079 0.079 10 0 "[ . 1]" 1
725 1 109 MET HA 1 109 MET ME 3.500 . 3.500 2.146 1.942 2.503 . 0 0 "[ . 1]" 1
726 1 109 MET H 1 109 MET ME 5.000 . 5.000 4.132 2.612 4.910 . 0 0 "[ . 1]" 1
727 1 109 MET H 1 109 MET QG 5.000 . 5.000 3.655 2.376 4.067 . 0 0 "[ . 1]" 1
728 1 109 MET HA 1 110 LEU H 5.000 . 5.000 3.508 3.484 3.549 . 0 0 "[ . 1]" 1
729 1 109 MET ME 1 110 LEU H 5.000 . 5.000 4.718 4.349 5.002 0.002 1 0 "[ . 1]" 1
730 1 109 MET QG 1 110 LEU H 5.000 . 5.000 4.095 3.490 4.610 . 0 0 "[ . 1]" 1
731 1 109 MET H 1 110 LEU H 5.000 . 5.000 2.626 2.452 2.816 . 0 0 "[ . 1]" 1
732 1 109 MET HA 1 112 VAL QG 5.000 . 5.000 2.762 2.142 3.208 . 0 0 "[ . 1]" 1
733 1 109 MET HA 1 112 VAL H 5.000 . 5.000 3.522 3.300 3.785 . 0 0 "[ . 1]" 1
734 1 109 MET ME 1 112 VAL QG 3.500 . 3.500 2.317 2.001 2.866 . 0 0 "[ . 1]" 1
735 1 109 MET QG 1 112 VAL QG 5.000 . 5.000 4.046 3.573 4.416 . 0 0 "[ . 1]" 1
736 1 109 MET H 1 112 VAL QG 5.000 . 5.000 4.425 3.833 4.989 . 0 0 "[ . 1]" 1
737 1 109 MET HA 1 113 LYS H 5.000 . 5.000 4.246 3.830 4.611 . 0 0 "[ . 1]" 1
738 1 109 MET ME 1 113 LYS H 5.000 . 5.000 4.066 2.803 5.008 0.008 2 0 "[ . 1]" 1
739 1 109 MET HA 1 142 MET ME 5.000 . 5.000 4.834 3.943 5.081 0.081 10 0 "[ . 1]" 1
740 1 109 MET H 1 142 MET ME 5.000 . 5.000 4.339 3.593 5.006 0.006 2 0 "[ . 1]" 1
741 1 110 LEU HA 1 110 LEU QD 3.500 . 3.500 2.153 1.789 3.111 0.011 10 0 "[ . 1]" 1
742 1 110 LEU H 1 110 LEU QD 5.000 . 5.000 3.571 3.258 3.776 . 0 0 "[ . 1]" 1
743 1 110 LEU QB 1 111 LYS H 5.000 . 5.000 2.715 2.449 2.834 . 0 0 "[ . 1]" 1
744 1 110 LEU H 1 111 LYS H 5.000 . 5.000 2.556 2.444 2.713 . 0 0 "[ . 1]" 1
745 1 110 LEU HA 1 112 VAL QG 5.000 . 5.000 5.004 4.861 5.118 0.118 10 0 "[ . 1]" 1
746 1 110 LEU QD 1 112 VAL H 5.000 . 5.000 4.627 4.208 5.139 0.139 4 0 "[ . 1]" 1
747 1 110 LEU H 1 112 VAL HB 5.000 . 5.000 5.042 4.835 5.111 0.111 5 0 "[ . 1]" 1
748 1 110 LEU HA 1 113 LYS H 5.000 . 5.000 3.180 2.981 3.566 . 0 0 "[ . 1]" 1
749 1 110 LEU QD 1 136 MET HA 5.000 . 5.000 2.505 1.967 3.273 . 0 0 "[ . 1]" 1
750 1 110 LEU QD 1 136 MET ME 3.500 . 3.500 3.236 2.402 3.630 0.130 10 0 "[ . 1]" 1
751 1 110 LEU QD 1 136 MET H 5.000 . 5.000 4.507 4.098 5.081 0.081 10 0 "[ . 1]" 1
752 1 110 LEU QD 1 137 ILE H 5.000 . 5.000 4.923 4.486 5.208 0.208 8 0 "[ . 1]" 1
753 1 110 LEU QD 1 138 GLU H 5.000 . 5.000 4.998 4.680 5.137 0.137 4 0 "[ . 1]" 1
754 1 110 LEU QD 1 139 MET H 5.000 . 5.000 3.546 3.047 3.715 . 0 0 "[ . 1]" 1
755 1 110 LEU QD 1 140 LYS HA 5.000 . 5.000 4.075 2.513 5.240 0.240 8 0 "[ . 1]" 1
756 1 110 LEU QD 1 140 LYS H 5.000 . 5.000 3.611 2.382 4.299 . 0 0 "[ . 1]" 1
757 1 110 LEU QD 1 142 MET ME 3.500 . 3.500 3.042 1.756 3.521 0.044 8 0 "[ . 1]" 1
758 1 110 LEU H 1 142 MET ME 5.000 . 5.000 3.228 2.594 4.247 . 0 0 "[ . 1]" 1
759 1 110 LEU QD 1 143 LEU QD 5.000 . 5.000 3.054 1.824 4.202 . 0 0 "[ . 1]" 1
760 1 111 LYS HA 1 111 LYS QD 3.500 . 3.500 3.078 1.943 3.518 0.018 3 0 "[ . 1]" 1
761 1 111 LYS HA 1 111 LYS QE 5.000 . 5.000 4.201 2.704 4.834 . 0 0 "[ . 1]" 1
762 1 111 LYS QB 1 111 LYS QD 3.500 . 3.500 2.257 2.097 2.804 . 0 0 "[ . 1]" 1
763 1 111 LYS H 1 111 LYS QB 3.500 . 3.500 2.223 2.151 2.262 . 0 0 "[ . 1]" 1
764 1 111 LYS H 1 111 LYS QD 5.000 . 5.000 4.299 4.134 4.425 . 0 0 "[ . 1]" 1
765 1 111 LYS H 1 111 LYS QG 5.000 . 5.000 3.953 3.823 4.035 . 0 0 "[ . 1]" 1
766 1 111 LYS HA 1 112 VAL QG 5.000 . 5.000 4.831 4.627 4.981 . 0 0 "[ . 1]" 1
767 1 111 LYS H 1 112 VAL QG 5.000 . 5.000 4.136 3.842 4.462 . 0 0 "[ . 1]" 1
768 1 111 LYS H 1 112 VAL H 5.000 . 5.000 2.608 2.510 2.670 . 0 0 "[ . 1]" 1
769 1 111 LYS QD 1 113 LYS H 5.000 . 5.000 5.000 4.862 5.097 0.097 6 0 "[ . 1]" 1
770 1 111 LYS H 1 113 LYS H 5.000 . 5.000 4.002 3.590 4.281 . 0 0 "[ . 1]" 1
771 1 111 LYS HA 1 114 GLU H 5.000 . 5.000 3.197 3.008 3.537 . 0 0 "[ . 1]" 1
772 1 112 VAL HA 1 113 LYS H 5.000 . 5.000 3.523 3.483 3.558 . 0 0 "[ . 1]" 1
773 1 112 VAL HB 1 113 LYS H 5.000 . 5.000 2.498 2.226 2.681 . 0 0 "[ . 1]" 1
774 1 112 VAL QG 1 113 LYS H 5.000 . 5.000 3.066 2.786 3.277 . 0 0 "[ . 1]" 1
775 1 112 VAL H 1 113 LYS H 5.000 . 5.000 2.601 2.459 2.737 . 0 0 "[ . 1]" 1
776 1 112 VAL HA 1 115 GLN QB 5.000 . 5.000 3.307 2.785 4.517 . 0 0 "[ . 1]" 1
777 1 112 VAL HA 1 115 GLN QG 5.000 . 5.000 3.982 2.651 4.873 . 0 0 "[ . 1]" 1
778 1 112 VAL QG 1 115 GLN QG 5.000 . 5.000 4.543 3.412 5.003 0.003 1 0 "[ . 1]" 1
779 1 112 VAL QG 1 115 GLN QE 5.000 . 5.000 4.421 3.146 5.008 0.008 10 0 "[ . 1]" 1
780 1 112 VAL HA 1 116 GLU H 5.000 . 5.000 4.603 4.225 4.809 . 0 0 "[ . 1]" 1
781 1 112 VAL QG 1 116 GLU QG 3.500 . 3.500 3.157 2.736 3.514 0.014 10 0 "[ . 1]" 1
782 1 112 VAL QG 1 116 GLU H 5.000 . 5.000 4.146 3.633 4.446 . 0 0 "[ . 1]" 1
783 1 113 LYS H 1 114 GLU H 5.000 . 5.000 2.525 2.395 2.627 . 0 0 "[ . 1]" 1
784 1 114 GLU HA 1 114 GLU QG 3.500 . 3.500 2.208 2.016 2.762 . 0 0 "[ . 1]" 1
785 1 114 GLU H 1 114 GLU QB 3.500 . 3.500 2.112 2.037 2.621 . 0 0 "[ . 1]" 1
786 1 114 GLU H 1 114 GLU QG 5.000 . 5.000 3.318 1.982 3.679 . 0 0 "[ . 1]" 1
787 1 114 GLU QB 1 115 GLN HA 3.500 . 3.500 3.635 3.589 3.666 0.166 10 0 "[ . 1]" 1
788 1 114 GLU H 1 115 GLN H 5.000 . 5.000 2.693 2.581 2.876 . 0 0 "[ . 1]" 1
789 1 114 GLU HA 1 118 THR H 5.000 . 5.000 3.779 3.506 4.215 . 0 0 "[ . 1]" 1
790 1 115 GLN HA 1 115 GLN QE 5.000 . 5.000 4.522 3.875 4.897 . 0 0 "[ . 1]" 1
791 1 115 GLN H 1 115 GLN QG 5.000 . 5.000 2.932 2.369 3.677 . 0 0 "[ . 1]" 1
792 1 115 GLN QB 1 116 GLU H 5.000 . 5.000 2.739 2.435 3.587 . 0 0 "[ . 1]" 1
793 1 115 GLN QG 1 116 GLU H 5.000 . 5.000 4.115 2.247 4.547 . 0 0 "[ . 1]" 1
794 1 115 GLN H 1 116 GLU H 5.000 . 5.000 2.690 2.567 2.903 . 0 0 "[ . 1]" 1
795 1 115 GLN HA 1 118 THR HB 5.000 . 5.000 2.822 1.829 3.676 . 0 0 "[ . 1]" 1
796 1 115 GLN HA 1 118 THR MG 3.500 . 3.500 2.979 1.898 3.591 0.091 2 0 "[ . 1]" 1
797 1 115 GLN QG 1 118 THR HB 5.000 . 5.000 4.577 3.873 5.053 0.053 1 0 "[ . 1]" 1
798 1 115 GLN QG 1 118 THR MG 5.000 . 5.000 4.110 2.984 5.039 0.039 9 0 "[ . 1]" 1
799 1 115 GLN HA 1 119 GLU H 5.000 . 5.000 4.093 3.390 4.564 . 0 0 "[ . 1]" 1
800 1 116 GLU H 1 116 GLU QG 5.000 . 5.000 2.552 1.984 3.511 . 0 0 "[ . 1]" 1
801 1 116 GLU H 1 117 LYS H 5.000 . 5.000 2.443 2.225 2.685 . 0 0 "[ . 1]" 1
802 1 116 GLU H 1 118 THR H 5.000 . 5.000 3.848 3.371 4.403 . 0 0 "[ . 1]" 1
803 1 116 GLU H 1 132 ILE MD 5.000 . 5.000 5.301 5.087 5.433 0.433 3 0 "[ . 1]" 1
804 1 117 LYS H 1 118 THR H 5.000 . 5.000 2.573 2.422 2.766 . 0 0 "[ . 1]" 1
805 1 117 LYS H 1 132 ILE MD 5.000 . 5.000 3.762 3.426 4.366 . 0 0 "[ . 1]" 1
806 1 117 LYS H 1 132 ILE MG 5.000 . 5.000 4.312 3.204 4.810 . 0 0 "[ . 1]" 1
807 1 117 LYS H 1 136 MET ME 5.000 . 5.000 4.079 3.571 4.598 . 0 0 "[ . 1]" 1
808 1 118 THR HB 1 119 GLU H 5.000 . 5.000 2.976 2.331 3.865 . 0 0 "[ . 1]" 1
809 1 118 THR MG 1 119 GLU H 5.000 . 5.000 2.596 1.887 3.078 . 0 0 "[ . 1]" 1
810 1 118 THR H 1 119 GLU QB 5.000 . 5.000 4.471 4.171 4.879 . 0 0 "[ . 1]" 1
811 1 118 THR H 1 119 GLU H 5.000 . 5.000 2.668 2.469 2.807 . 0 0 "[ . 1]" 1
812 1 118 THR MG 1 120 ALA H 5.000 . 5.000 4.543 4.078 5.001 0.001 5 0 "[ . 1]" 1
813 1 118 THR H 1 120 ALA H 5.000 . 5.000 4.006 3.787 4.303 . 0 0 "[ . 1]" 1
814 1 118 THR HB 1 121 GLU H 5.000 . 5.000 5.106 5.026 5.143 0.143 1 0 "[ . 1]" 1
815 1 118 THR HA 1 122 ARG H 5.000 . 5.000 4.290 3.947 4.485 . 0 0 "[ . 1]" 1
816 1 118 THR MG 1 122 ARG H 5.000 . 5.000 4.347 3.776 5.005 0.005 3 0 "[ . 1]" 1
817 1 118 THR MG 1 122 ARG QD 5.000 . 5.000 3.954 3.165 4.790 . 0 0 "[ . 1]" 1
818 1 118 THR MG 1 122 ARG QG 5.000 . 5.000 3.869 3.070 4.551 . 0 0 "[ . 1]" 1
819 1 118 THR H 1 132 ILE MG 5.000 . 5.000 4.096 3.765 4.979 . 0 0 "[ . 1]" 1
820 1 118 THR HA 1 136 MET ME 5.000 . 5.000 5.138 5.062 5.355 0.355 10 0 "[ . 1]" 1
821 1 119 GLU H 1 119 GLU QG 5.000 . 5.000 3.052 2.193 3.935 . 0 0 "[ . 1]" 1
822 1 119 GLU QB 1 120 ALA H 5.000 . 5.000 2.638 2.239 3.349 . 0 0 "[ . 1]" 1
823 1 119 GLU H 1 120 ALA MB 5.000 . 5.000 4.331 4.112 4.529 . 0 0 "[ . 1]" 1
824 1 119 GLU H 1 120 ALA H 5.000 . 5.000 2.697 2.502 2.928 . 0 0 "[ . 1]" 1
825 1 120 ALA H 1 120 ALA MB 3.500 . 3.500 2.104 2.046 2.260 . 0 0 "[ . 1]" 1
826 1 120 ALA H 1 121 GLU H 5.000 . 5.000 2.494 2.340 2.605 . 0 0 "[ . 1]" 1
827 1 120 ALA HA 1 122 ARG QG 5.000 . 5.000 4.262 4.007 5.020 0.020 6 0 "[ . 1]" 1
828 1 120 ALA HA 1 122 ARG H 5.000 . 5.000 4.309 4.139 4.564 . 0 0 "[ . 1]" 1
829 1 120 ALA MB 1 122 ARG H 5.000 . 5.000 4.705 4.525 4.786 . 0 0 "[ . 1]" 1
830 1 120 ALA MB 1 123 ARG H 5.000 . 5.000 4.542 4.350 4.720 . 0 0 "[ . 1]" 1
831 1 120 ALA MB 1 131 ARG H 5.000 . 5.000 5.025 4.723 5.131 0.131 7 0 "[ . 1]" 1
832 1 120 ALA MB 1 132 ILE HA 5.000 . 5.000 4.380 4.137 4.866 . 0 0 "[ . 1]" 1
833 1 120 ALA MB 1 132 ILE MD 5.000 . 5.000 1.950 1.651 3.125 0.149 2 0 "[ . 1]" 1
834 1 120 ALA MB 1 132 ILE MG 5.000 . 5.000 3.613 1.740 5.074 0.074 9 0 "[ . 1]" 1
835 1 120 ALA H 1 132 ILE MD 5.000 . 5.000 2.928 2.465 3.654 . 0 0 "[ . 1]" 1
836 1 122 ARG HA 1 122 ARG QG 3.500 . 3.500 3.270 2.648 3.341 . 0 0 "[ . 1]" 1
837 1 122 ARG HA 1 122 ARG QD 5.000 . 5.000 4.355 3.870 4.604 . 0 0 "[ . 1]" 1
838 1 122 ARG QB 1 122 ARG QD 3.500 . 3.500 2.234 2.083 2.481 . 0 0 "[ . 1]" 1
839 1 122 ARG H 1 122 ARG QB 3.500 . 3.500 2.646 2.610 2.758 . 0 0 "[ . 1]" 1
840 1 122 ARG H 1 122 ARG QD 5.000 . 5.000 3.773 3.238 4.080 . 0 0 "[ . 1]" 1
841 1 122 ARG H 1 122 ARG QG 5.000 . 5.000 1.962 1.880 2.179 . 0 0 "[ . 1]" 1
842 1 122 ARG HA 1 123 ARG H 5.000 . 5.000 3.547 3.465 3.584 . 0 0 "[ . 1]" 1
843 1 122 ARG QB 1 123 ARG H 5.000 . 5.000 3.317 2.727 3.537 . 0 0 "[ . 1]" 1
844 1 122 ARG H 1 123 ARG H 5.000 . 5.000 2.596 2.503 2.640 . 0 0 "[ . 1]" 1
845 1 122 ARG HA 1 124 LYS H 5.000 . 5.000 4.615 4.278 5.051 0.051 2 0 "[ . 1]" 1
846 1 122 ARG H 1 124 LYS H 5.000 . 5.000 3.809 3.660 3.942 . 0 0 "[ . 1]" 1
847 1 123 ARG HA 1 124 LYS H 5.000 . 5.000 3.464 3.251 3.506 . 0 0 "[ . 1]" 1
848 1 123 ARG H 1 124 LYS H 5.000 . 5.000 2.253 1.993 2.488 . 0 0 "[ . 1]" 1
849 1 124 LYS H 1 124 LYS QE 5.000 . 5.000 4.421 3.945 5.004 0.004 4 0 "[ . 1]" 1
850 1 124 LYS H 1 132 ILE MD 5.000 . 5.000 5.113 5.026 5.197 0.197 9 0 "[ . 1]" 1
851 1 125 ASP H 1 126 PHE H 5.000 . 5.000 3.487 2.418 4.503 . 0 0 "[ . 1]" 1
852 1 125 ASP H 1 131 ARG H 5.000 . 5.000 4.900 4.484 5.216 0.216 7 0 "[ . 1]" 1
853 1 127 LEU H 1 128 THR H 5.000 . 5.000 2.768 2.073 3.806 . 0 0 "[ . 1]" 1
854 1 129 ALA H 1 130 ALA H 3.500 . 3.500 2.707 2.628 2.805 . 0 0 "[ . 1]" 1
855 1 130 ALA H 1 130 ALA MB 3.500 . 3.500 2.123 2.059 2.224 . 0 0 "[ . 1]" 1
856 1 130 ALA MB 1 131 ARG H 3.500 . 3.500 2.810 2.532 2.891 . 0 0 "[ . 1]" 1
857 1 130 ALA H 1 131 ARG H 5.000 . 5.000 2.834 2.749 2.910 . 0 0 "[ . 1]" 1
858 1 130 ALA H 1 132 ILE H 5.000 . 5.000 4.466 4.203 4.733 . 0 0 "[ . 1]" 1
859 1 130 ALA HA 1 133 ALA H 5.000 . 5.000 3.510 3.319 3.823 . 0 0 "[ . 1]" 1
860 1 131 ARG HA 1 131 ARG QD 5.000 . 5.000 3.015 1.985 3.966 . 0 0 "[ . 1]" 1
861 1 131 ARG H 1 131 ARG QD 5.000 . 5.000 3.831 1.987 4.661 . 0 0 "[ . 1]" 1
862 1 131 ARG H 1 131 ARG QG 3.500 . 3.500 3.017 1.978 3.576 0.076 3 0 "[ . 1]" 1
863 1 131 ARG QB 1 132 ILE H 5.000 . 5.000 2.595 2.382 2.858 . 0 0 "[ . 1]" 1
864 1 131 ARG H 1 132 ILE H 5.000 . 5.000 2.634 2.433 2.895 . 0 0 "[ . 1]" 1
865 1 131 ARG H 1 133 ALA H 5.000 . 5.000 4.152 3.728 4.380 . 0 0 "[ . 1]" 1
866 1 132 ILE MD 1 132 ILE MG 3.500 . 3.500 2.175 1.821 2.563 . 0 0 "[ . 1]" 1
867 1 132 ILE H 1 132 ILE MD 5.000 . 5.000 3.274 2.713 3.950 . 0 0 "[ . 1]" 1
868 1 132 ILE H 1 132 ILE QG 5.000 . 5.000 2.380 1.783 3.801 0.017 10 0 "[ . 1]" 1
869 1 132 ILE HA 1 133 ALA H 5.000 . 5.000 3.547 3.506 3.569 . 0 0 "[ . 1]" 1
870 1 132 ILE HB 1 133 ALA H 5.000 . 5.000 2.650 2.310 3.515 . 0 0 "[ . 1]" 1
871 1 132 ILE MD 1 133 ALA H 5.000 . 5.000 4.585 4.140 5.037 0.037 2 0 "[ . 1]" 1
872 1 132 ILE MG 1 133 ALA MB 5.000 . 5.000 4.022 3.148 4.798 . 0 0 "[ . 1]" 1
873 1 132 ILE MG 1 133 ALA H 5.000 . 5.000 3.270 2.339 3.955 . 0 0 "[ . 1]" 1
874 1 132 ILE H 1 133 ALA H 5.000 . 5.000 2.641 2.527 2.740 . 0 0 "[ . 1]" 1
875 1 132 ILE HA 1 135 GLU H 5.000 . 5.000 3.453 3.036 3.771 . 0 0 "[ . 1]" 1
876 1 132 ILE MD 1 136 MET ME 5.000 . 5.000 3.780 3.080 4.661 . 0 0 "[ . 1]" 1
877 1 132 ILE MG 1 136 MET ME 3.500 . 3.500 2.216 1.773 3.364 0.027 9 0 "[ . 1]" 1
878 1 132 ILE MG 1 136 MET H 5.000 . 5.000 4.022 3.681 4.318 . 0 0 "[ . 1]" 1
879 1 133 ALA H 1 133 ALA MB 3.500 . 3.500 2.132 2.066 2.236 . 0 0 "[ . 1]" 1
880 1 133 ALA MB 1 134 LYS H 5.000 . 5.000 2.558 2.326 2.760 . 0 0 "[ . 1]" 1
881 1 133 ALA H 1 134 LYS H 5.000 . 5.000 2.736 2.569 2.911 . 0 0 "[ . 1]" 1
882 1 133 ALA H 1 135 GLU H 5.000 . 5.000 4.127 3.860 4.368 . 0 0 "[ . 1]" 1
883 1 133 ALA HA 1 136 MET ME 5.000 . 5.000 3.495 1.968 4.318 . 0 0 "[ . 1]" 1
884 1 133 ALA MB 1 136 MET ME 5.000 . 5.000 4.580 3.273 5.034 0.034 6 0 "[ . 1]" 1
885 1 133 ALA H 1 136 MET ME 5.000 . 5.000 4.500 3.828 4.925 . 0 0 "[ . 1]" 1
886 1 134 LYS H 1 134 LYS QB 3.500 . 3.500 2.177 2.093 2.263 . 0 0 "[ . 1]" 1
887 1 134 LYS H 1 134 LYS QD 5.000 . 5.000 4.192 2.488 4.552 . 0 0 "[ . 1]" 1
888 1 134 LYS H 1 134 LYS QG 5.000 . 5.000 3.562 2.835 4.057 . 0 0 "[ . 1]" 1
889 1 134 LYS H 1 135 GLU H 5.000 . 5.000 2.638 2.521 2.744 . 0 0 "[ . 1]" 1
890 1 134 LYS HA 1 136 MET H 5.000 . 5.000 4.613 4.086 4.882 . 0 0 "[ . 1]" 1
891 1 134 LYS H 1 136 MET H 5.000 . 5.000 4.359 4.088 4.520 . 0 0 "[ . 1]" 1
892 1 135 GLU H 1 135 GLU QB 3.500 . 3.500 2.209 2.053 2.475 . 0 0 "[ . 1]" 1
893 1 135 GLU H 1 136 MET H 5.000 . 5.000 2.760 2.513 2.975 . 0 0 "[ . 1]" 1
894 1 135 GLU HA 1 137 ILE H 5.000 . 5.000 4.653 4.252 4.940 . 0 0 "[ . 1]" 1
895 1 136 MET HA 1 136 MET QG 3.500 . 3.500 2.523 2.024 3.354 . 0 0 "[ . 1]" 1
896 1 136 MET ME 1 136 MET QG 3.500 . 3.500 2.547 2.203 2.740 . 0 0 "[ . 1]" 1
897 1 136 MET H 1 136 MET ME 5.000 . 5.000 2.104 1.787 2.925 0.013 4 0 "[ . 1]" 1
898 1 136 MET H 1 136 MET QG 5.000 . 5.000 3.317 1.770 3.896 0.030 10 0 "[ . 1]" 1
899 1 136 MET H 1 137 ILE MD 5.000 . 5.000 4.673 4.151 5.038 0.038 8 0 "[ . 1]" 1
900 1 136 MET H 1 137 ILE H 5.000 . 5.000 2.709 2.464 2.921 . 0 0 "[ . 1]" 1
901 1 136 MET ME 1 138 GLU H 5.000 . 5.000 5.070 4.942 5.132 0.132 3 0 "[ . 1]" 1
902 1 136 MET H 1 138 GLU H 5.000 . 5.000 3.841 3.641 3.990 . 0 0 "[ . 1]" 1
903 1 136 MET HA 1 139 MET QB 5.000 . 5.000 2.350 1.939 3.853 . 0 0 "[ . 1]" 1
904 1 136 MET HA 1 139 MET H 5.000 . 5.000 2.993 2.438 3.388 . 0 0 "[ . 1]" 1
905 1 136 MET ME 1 139 MET H 5.000 . 5.000 4.969 4.660 5.256 0.256 10 0 "[ . 1]" 1
906 1 136 MET HA 1 142 MET ME 5.000 . 5.000 5.084 4.889 5.152 0.152 9 0 "[ . 1]" 1
907 1 137 ILE HA 1 137 ILE MD 3.500 . 3.500 3.117 2.192 3.566 0.066 1 0 "[ . 1]" 1
908 1 137 ILE HA 1 137 ILE MG 3.500 . 3.500 2.812 2.413 3.105 . 0 0 "[ . 1]" 1
909 1 137 ILE HB 1 137 ILE MD 3.500 . 3.500 2.431 1.988 3.208 . 0 0 "[ . 1]" 1
910 1 137 ILE MD 1 137 ILE MG 3.500 . 3.500 2.824 1.906 3.254 . 0 0 "[ . 1]" 1
911 1 137 ILE H 1 137 ILE MD 3.500 . 3.500 2.844 2.346 3.474 . 0 0 "[ . 1]" 1
912 1 137 ILE H 1 137 ILE QG 5.000 . 5.000 3.423 2.026 4.085 . 0 0 "[ . 1]" 1
913 1 137 ILE H 1 137 ILE MG 3.500 . 3.500 3.079 1.790 3.562 0.062 9 0 "[ . 1]" 1
914 1 137 ILE HA 1 138 GLU H 5.000 . 5.000 3.478 3.428 3.511 . 0 0 "[ . 1]" 1
915 1 137 ILE HB 1 138 GLU H 5.000 . 5.000 3.408 2.947 4.383 . 0 0 "[ . 1]" 1
916 1 137 ILE MD 1 138 GLU H 5.000 . 5.000 3.825 2.206 4.680 . 0 0 "[ . 1]" 1
917 1 137 ILE MG 1 138 GLU H 5.000 . 5.000 2.946 2.526 3.915 . 0 0 "[ . 1]" 1
918 1 137 ILE H 1 138 GLU QG 5.000 . 5.000 4.719 3.652 5.012 0.012 3 0 "[ . 1]" 1
919 1 137 ILE H 1 138 GLU H 5.000 . 5.000 2.588 2.368 2.690 . 0 0 "[ . 1]" 1
920 1 137 ILE MG 1 139 MET H 5.000 . 5.000 4.687 4.486 4.995 . 0 0 "[ . 1]" 1
921 1 137 ILE HA 1 140 LYS H 5.000 . 5.000 3.285 3.172 3.402 . 0 0 "[ . 1]" 1
922 1 137 ILE QG 1 140 LYS QE 3.500 . 3.500 3.292 2.728 3.706 0.206 8 0 "[ . 1]" 1
923 1 138 GLU HA 1 138 GLU QG 3.500 . 3.500 2.500 2.133 3.338 . 0 0 "[ . 1]" 1
924 1 138 GLU H 1 138 GLU QB 3.500 . 3.500 2.265 2.085 2.679 . 0 0 "[ . 1]" 1
925 1 138 GLU H 1 138 GLU QG 5.000 . 5.000 2.792 2.012 3.178 . 0 0 "[ . 1]" 1
926 1 138 GLU HA 1 139 MET H 3.500 . 3.500 3.499 3.430 3.557 0.057 5 0 "[ . 1]" 1
927 1 138 GLU QB 1 139 MET H 5.000 . 5.000 2.791 2.584 3.519 . 0 0 "[ . 1]" 1
928 1 138 GLU H 1 139 MET ME 5.000 . 5.000 4.552 3.450 5.100 0.100 8 0 "[ . 1]" 1
929 1 138 GLU H 1 139 MET H 5.000 . 5.000 2.407 2.230 2.653 . 0 0 "[ . 1]" 1
930 1 138 GLU H 1 140 LYS H 5.000 . 5.000 3.835 3.701 4.150 . 0 0 "[ . 1]" 1
931 1 139 MET HA 1 139 MET ME 3.500 . 3.500 2.450 1.878 3.610 0.110 2 0 "[ . 1]" 1
932 1 139 MET H 1 139 MET ME 5.000 . 5.000 3.139 2.161 3.784 . 0 0 "[ . 1]" 1
933 1 139 MET H 1 139 MET QG 5.000 . 5.000 2.900 1.818 4.033 . 0 0 "[ . 1]" 1
934 1 139 MET HA 1 140 LYS H 5.000 . 5.000 3.498 3.484 3.524 . 0 0 "[ . 1]" 1
935 1 139 MET QB 1 140 LYS H 5.000 . 5.000 2.775 2.330 3.305 . 0 0 "[ . 1]" 1
936 1 139 MET ME 1 140 LYS H 5.000 . 5.000 3.804 1.989 4.839 . 0 0 "[ . 1]" 1
937 1 139 MET QG 1 140 LYS H 5.000 . 5.000 4.055 2.208 4.668 . 0 0 "[ . 1]" 1
938 1 139 MET H 1 140 LYS H 5.000 . 5.000 2.574 2.468 2.765 . 0 0 "[ . 1]" 1
939 1 139 MET H 1 141 LYS H 5.000 . 5.000 4.039 3.826 4.303 . 0 0 "[ . 1]" 1
940 1 139 MET QG 1 142 MET ME 3.500 . 3.500 2.794 1.803 3.508 0.008 8 0 "[ . 1]" 1
941 1 139 MET H 1 142 MET ME 5.000 . 5.000 3.955 2.844 4.318 . 0 0 "[ . 1]" 1
942 1 139 MET ME 1 143 LEU QD 5.000 . 5.000 4.322 2.411 5.048 0.048 9 0 "[ . 1]" 1
943 1 140 LYS HA 1 140 LYS QD 5.000 . 5.000 3.854 3.278 4.103 . 0 0 "[ . 1]" 1
944 1 140 LYS H 1 141 LYS H 5.000 . 5.000 2.539 2.462 2.728 . 0 0 "[ . 1]" 1
945 1 140 LYS H 1 142 MET ME 5.000 . 5.000 4.397 4.114 5.019 0.019 8 0 "[ . 1]" 1
946 1 140 LYS HA 1 143 LEU QD 5.000 . 5.000 2.505 1.838 4.005 . 0 0 "[ . 1]" 1
947 1 140 LYS QB 1 143 LEU QD 5.000 . 5.000 3.970 3.179 5.042 0.042 8 0 "[ . 1]" 1
948 1 140 LYS H 1 143 LEU HG 5.000 . 5.000 4.793 4.315 5.030 0.030 9 0 "[ . 1]" 1
949 1 141 LYS HA 1 142 MET QG 5.000 . 5.000 4.979 4.879 5.054 0.054 5 0 "[ . 1]" 1
950 1 141 LYS H 1 142 MET QB 5.000 . 5.000 4.955 4.738 5.048 0.048 1 0 "[ . 1]" 1
951 1 141 LYS H 1 142 MET QG 5.000 . 5.000 3.716 3.594 3.812 . 0 0 "[ . 1]" 1
952 1 141 LYS H 1 142 MET H 5.000 . 5.000 2.631 2.556 2.724 . 0 0 "[ . 1]" 1
953 1 141 LYS QE 1 143 LEU QD 5.000 . 5.000 4.977 4.722 5.055 0.055 8 0 "[ . 1]" 1
954 1 141 LYS HA 1 144 SER H 5.000 . 5.000 3.541 3.394 3.738 . 0 0 "[ . 1]" 1
955 1 142 MET HA 1 142 MET ME 5.000 . 5.000 4.887 4.373 5.068 0.068 7 0 "[ . 1]" 1
956 1 142 MET QB 1 142 MET ME 3.500 . 3.500 3.003 1.840 3.513 0.013 10 0 "[ . 1]" 1
957 1 142 MET ME 1 142 MET QG 3.500 . 3.500 2.234 2.000 2.577 . 0 0 "[ . 1]" 1
958 1 142 MET H 1 142 MET ME 5.000 . 5.000 3.958 3.754 4.147 . 0 0 "[ . 1]" 1
959 1 142 MET H 1 142 MET QG 5.000 . 5.000 2.029 1.890 2.193 . 0 0 "[ . 1]" 1
960 1 142 MET QB 1 143 LEU QD 5.000 . 5.000 3.959 2.294 4.845 . 0 0 "[ . 1]" 1
961 1 142 MET QB 1 143 LEU HG 5.000 . 5.000 4.628 3.531 5.048 0.048 1 0 "[ . 1]" 1
962 1 142 MET ME 1 143 LEU QD 5.000 . 5.000 2.837 1.883 4.684 . 0 0 "[ . 1]" 1
963 1 142 MET H 1 143 LEU H 5.000 . 5.000 2.704 2.588 2.823 . 0 0 "[ . 1]" 1
964 1 143 LEU H 1 143 LEU QD 5.000 . 5.000 2.871 1.893 3.343 . 0 0 "[ . 1]" 1
965 1 143 LEU H 1 143 LEU HG 5.000 . 5.000 2.482 1.886 3.161 . 0 0 "[ . 1]" 1
966 1 143 LEU QD 1 144 SER H 5.000 . 5.000 3.456 2.305 4.287 . 0 0 "[ . 1]" 1
967 1 143 LEU HG 1 144 SER H 5.000 . 5.000 3.795 2.241 4.760 . 0 0 "[ . 1]" 1
968 1 143 LEU H 1 144 SER H 5.000 . 5.000 2.567 2.350 2.851 . 0 0 "[ . 1]" 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 130
_Distance_constraint_stats_list.Viol_count 567
_Distance_constraint_stats_list.Viol_total 216.530
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0167
_Distance_constraint_stats_list.Viol_average_violations_only 0.0382
_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 9 PHE 0.293 0.076 4 0 "[ . 1]"
1 10 GLN 0.000 0.000 . 0 "[ . 1]"
1 11 ASN 0.495 0.078 8 0 "[ . 1]"
1 12 ALA 0.189 0.056 9 0 "[ . 1]"
1 13 GLU 0.391 0.076 4 0 "[ . 1]"
1 14 ARG 0.953 0.106 2 0 "[ . 1]"
1 15 LEU 0.787 0.078 8 0 "[ . 1]"
1 16 LEU 0.354 0.095 8 0 "[ . 1]"
1 17 LEU 0.131 0.048 9 0 "[ . 1]"
1 18 ALA 0.953 0.106 2 0 "[ . 1]"
1 19 HIS 0.292 0.063 5 0 "[ . 1]"
1 20 MET 0.166 0.095 8 0 "[ . 1]"
1 21 MET 0.033 0.021 3 0 "[ . 1]"
1 23 SER 0.042 0.035 5 0 "[ . 1]"
1 24 ARG 0.464 0.079 10 0 "[ . 1]"
1 25 ASP 0.890 0.134 8 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.368 0.079 3 0 "[ . 1]"
1 28 LEU 0.506 0.079 10 0 "[ . 1]"
1 29 VAL 0.958 0.134 8 0 "[ . 1]"
1 30 VAL 0.000 0.000 . 0 "[ . 1]"
1 31 GLN 0.326 0.079 3 0 "[ . 1]"
1 32 GLU 0.042 0.017 1 0 "[ . 1]"
1 33 ARG 0.068 0.026 6 0 "[ . 1]"
1 41 GLU 0.067 0.019 9 0 "[ . 1]"
1 42 GLU 0.313 0.069 1 0 "[ . 1]"
1 43 HIS 0.768 0.091 3 0 "[ . 1]"
1 44 ARG 0.135 0.086 9 0 "[ . 1]"
1 45 ALA 1.260 0.111 2 0 "[ . 1]"
1 46 LEU 1.304 0.130 3 0 "[ . 1]"
1 47 ALA 0.768 0.091 3 0 "[ . 1]"
1 48 ALA 0.673 0.086 9 0 "[ . 1]"
1 49 TYR 1.316 0.111 2 0 "[ . 1]"
1 50 ILE 1.044 0.130 3 0 "[ . 1]"
1 52 ALA 1.292 0.159 5 0 "[ . 1]"
1 53 PHE 0.122 0.045 8 0 "[ . 1]"
1 54 TYR 0.053 0.027 7 0 "[ . 1]"
1 56 GLU 0.754 0.159 5 0 "[ . 1]"
1 62 PRO 0.254 0.052 9 0 "[ . 1]"
1 66 ILE 0.254 0.052 9 0 "[ . 1]"
1 72 GLU 1.218 0.104 3 0 "[ . 1]"
1 73 LEU 0.300 0.050 1 0 "[ . 1]"
1 74 GLN 0.080 0.065 10 0 "[ . 1]"
1 75 PRO 0.318 0.056 3 0 "[ . 1]"
1 76 LEU 1.395 0.104 3 0 "[ . 1]"
1 77 ALA 0.355 0.052 3 0 "[ . 1]"
1 78 SER 0.080 0.065 10 0 "[ . 1]"
1 79 GLU 0.318 0.056 3 0 "[ . 1]"
1 80 LEU 0.177 0.059 9 0 "[ . 1]"
1 81 SER 0.055 0.052 3 0 "[ . 1]"
1 91 GLU 0.036 0.026 9 0 "[ . 1]"
1 92 GLN 1.220 0.145 4 0 "[ . 1]"
1 93 GLU 0.136 0.066 3 0 "[ . 1]"
1 94 LEU 0.686 0.083 3 0 "[ . 1]"
1 95 GLU 0.944 0.097 7 0 "[ . 1]"
1 96 ASP 1.611 0.145 4 0 "[ . 1]"
1 97 TYR 0.209 0.066 3 0 "[ . 1]"
1 98 ILE 0.914 0.086 9 0 "[ . 1]"
1 99 ARG 0.908 0.097 7 0 "[ . 1]"
1 100 HIS 0.391 0.072 3 0 "[ . 1]"
1 101 VAL 0.073 0.058 10 0 "[ . 1]"
1 102 LEU 0.228 0.086 9 0 "[ . 1]"
1 107 TRP 0.269 0.067 5 0 "[ . 1]"
1 108 LEU 0.070 0.027 1 0 "[ . 1]"
1 109 MET 0.101 0.037 6 0 "[ . 1]"
1 110 LEU 0.397 0.086 5 0 "[ . 1]"
1 111 LYS 0.959 0.168 10 0 "[ . 1]"
1 112 VAL 0.998 0.114 3 0 "[ . 1]"
1 113 LYS 0.749 0.141 10 0 "[ . 1]"
1 114 GLU 0.750 0.086 5 0 "[ . 1]"
1 115 GLN 0.812 0.168 10 0 "[ . 1]"
1 116 GLU 1.388 0.114 3 0 "[ . 1]"
1 117 LYS 0.705 0.141 10 0 "[ . 1]"
1 118 THR 0.380 0.072 10 0 "[ . 1]"
1 119 GLU 0.313 0.071 6 0 "[ . 1]"
1 120 ALA 0.460 0.076 6 0 "[ . 1]"
1 121 GLU 0.057 0.047 6 0 "[ . 1]"
1 122 ARG 0.027 0.011 7 0 "[ . 1]"
1 123 ARG 0.191 0.071 6 0 "[ . 1]"
1 129 ALA 0.051 0.025 4 0 "[ . 1]"
1 130 ALA 0.055 0.019 10 0 "[ . 1]"
1 131 ARG 0.302 0.073 1 0 "[ . 1]"
1 132 ILE 0.234 0.063 2 0 "[ . 1]"
1 133 ALA 0.257 0.101 2 0 "[ . 1]"
1 134 LYS 0.148 0.041 8 0 "[ . 1]"
1 135 GLU 0.385 0.073 1 0 "[ . 1]"
1 136 MET 0.442 0.063 2 0 "[ . 1]"
1 137 ILE 0.645 0.101 2 0 "[ . 1]"
1 138 GLU 0.238 0.053 4 0 "[ . 1]"
1 139 MET 0.244 0.043 10 0 "[ . 1]"
1 140 LYS 0.207 0.049 5 0 "[ . 1]"
1 141 LYS 0.439 0.078 2 0 "[ . 1]"
1 142 MET 0.146 0.053 4 0 "[ . 1]"
1 143 LEU 0.161 0.035 9 0 "[ . 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 9 PHE O 1 13 GLU H 2.000 . 2.300 2.223 1.794 2.323 0.023 7 0 "[ . 1]" 2
2 1 9 PHE O 1 13 GLU N 2.900 2.600 3.200 3.168 2.744 3.276 0.076 4 0 "[ . 1]" 2
3 1 10 GLN O 1 14 ARG H 2.000 . 2.300 2.018 1.748 2.290 . 0 0 "[ . 1]" 2
4 1 10 GLN O 1 14 ARG N 2.900 2.600 3.200 2.905 2.666 3.127 . 0 0 "[ . 1]" 2
5 1 11 ASN O 1 15 LEU H 2.000 . 2.300 2.263 2.061 2.322 0.022 8 0 "[ . 1]" 2
6 1 11 ASN O 1 15 LEU N 2.900 2.600 3.200 3.226 3.010 3.278 0.078 8 0 "[ . 1]" 2
7 1 12 ALA O 1 16 LEU H 2.000 . 2.300 2.043 1.644 2.329 0.056 9 0 "[ . 1]" 2
8 1 12 ALA O 1 16 LEU N 2.900 2.600 3.200 2.937 2.582 3.206 0.018 1 0 "[ . 1]" 2
9 1 13 GLU O 1 17 LEU H 2.000 . 2.300 2.178 1.883 2.320 0.020 6 0 "[ . 1]" 2
10 1 13 GLU O 1 17 LEU N 2.900 2.600 3.200 3.044 2.713 3.248 0.048 9 0 "[ . 1]" 2
11 1 14 ARG O 1 18 ALA H 2.000 . 2.300 2.354 2.212 2.406 0.106 2 0 "[ . 1]" 2
12 1 14 ARG O 1 18 ALA N 2.900 2.600 3.200 3.206 3.034 3.293 0.093 2 0 "[ . 1]" 2
13 1 15 LEU O 1 19 HIS H 2.000 . 2.300 2.311 2.240 2.363 0.063 5 0 "[ . 1]" 2
14 1 15 LEU O 1 19 HIS N 2.900 2.600 3.200 3.195 3.119 3.248 0.048 5 0 "[ . 1]" 2
15 1 16 LEU O 1 20 MET H 2.000 . 2.300 1.928 1.679 2.343 0.043 8 0 "[ . 1]" 2
16 1 16 LEU O 1 20 MET N 2.900 2.600 3.200 2.858 2.617 3.295 0.095 8 0 "[ . 1]" 2
17 1 17 LEU O 1 21 MET H 2.000 . 2.300 1.849 1.679 2.007 0.021 3 0 "[ . 1]" 2
18 1 17 LEU O 1 21 MET N 2.900 2.600 3.200 2.696 2.588 2.822 0.012 3 0 "[ . 1]" 2
19 1 23 SER O 1 27 ALA H 2.000 . 2.300 2.109 1.665 2.297 0.035 5 0 "[ . 1]" 2
20 1 23 SER O 1 27 ALA N 2.900 2.600 3.200 3.005 2.598 3.204 0.004 9 0 "[ . 1]" 2
21 1 24 ARG O 1 28 LEU H 2.000 . 2.300 2.342 2.288 2.379 0.079 10 0 "[ . 1]" 2
22 1 24 ARG O 1 28 LEU N 2.900 2.600 3.200 3.128 2.999 3.223 0.023 10 0 "[ . 1]" 2
23 1 25 ASP O 1 29 VAL H 2.000 . 2.300 2.371 2.342 2.434 0.134 8 0 "[ . 1]" 2
24 1 25 ASP O 1 29 VAL N 2.900 2.600 3.200 3.212 3.139 3.244 0.044 2 0 "[ . 1]" 2
25 1 26 VAL O 1 30 VAL H 2.000 . 2.300 2.166 1.996 2.273 . 0 0 "[ . 1]" 2
26 1 26 VAL O 1 30 VAL N 2.900 2.600 3.200 3.021 2.886 3.117 . 0 0 "[ . 1]" 2
27 1 27 ALA O 1 31 GLN H 2.000 . 2.300 2.193 1.661 2.303 0.039 8 0 "[ . 1]" 2
28 1 27 ALA O 1 31 GLN N 2.900 2.600 3.200 3.165 2.615 3.279 0.079 3 0 "[ . 1]" 2
29 1 28 LEU O 1 32 GLU H 2.000 . 2.300 1.867 1.683 2.212 0.017 1 0 "[ . 1]" 2
30 1 28 LEU O 1 32 GLU N 2.900 2.600 3.200 2.788 2.591 3.158 0.009 1 0 "[ . 1]" 2
31 1 29 VAL O 1 33 ARG H 2.000 . 2.300 2.003 1.773 2.282 . 0 0 "[ . 1]" 2
32 1 29 VAL O 1 33 ARG N 2.900 2.600 3.200 2.816 2.574 3.147 0.026 6 0 "[ . 1]" 2
33 1 41 GLU O 1 45 ALA H 2.000 . 2.300 2.070 1.741 2.319 0.019 9 0 "[ . 1]" 2
34 1 41 GLU O 1 45 ALA N 2.900 2.600 3.200 2.840 2.588 3.109 0.012 6 0 "[ . 1]" 2
35 1 42 GLU O 1 46 LEU H 2.000 . 2.300 2.185 1.750 2.369 0.069 1 0 "[ . 1]" 2
36 1 42 GLU O 1 46 LEU N 2.900 2.600 3.200 2.898 2.534 3.127 0.066 10 0 "[ . 1]" 2
37 1 43 HIS O 1 47 ALA H 2.000 . 2.300 2.288 2.127 2.379 0.079 3 0 "[ . 1]" 2
38 1 43 HIS O 1 47 ALA N 2.900 2.600 3.200 3.225 3.098 3.291 0.091 3 0 "[ . 1]" 2
39 1 44 ARG O 1 48 ALA H 2.000 . 2.300 2.125 1.770 2.386 0.086 9 0 "[ . 1]" 2
40 1 44 ARG O 1 48 ALA N 2.900 2.600 3.200 2.956 2.632 3.231 0.031 9 0 "[ . 1]" 2
41 1 45 ALA O 1 49 TYR H 2.000 . 2.300 1.687 1.601 1.851 0.099 6 0 "[ . 1]" 2
42 1 45 ALA O 1 49 TYR N 2.900 2.600 3.200 2.519 2.489 2.546 0.111 2 0 "[ . 1]" 2
43 1 46 LEU O 1 50 ILE H 2.000 . 2.300 2.339 2.260 2.378 0.078 3 0 "[ . 1]" 2
44 1 46 LEU O 1 50 ILE N 2.900 2.600 3.200 3.250 3.152 3.330 0.130 3 0 "[ . 1]" 2
45 1 48 ALA O 1 52 ALA H 2.000 . 2.300 2.306 2.167 2.382 0.082 5 0 "[ . 1]" 2
46 1 48 ALA O 1 52 ALA N 2.900 2.600 3.200 3.212 3.137 3.269 0.069 7 0 "[ . 1]" 2
47 1 49 TYR O 1 53 PHE H 2.000 . 2.300 2.074 1.730 2.322 0.022 6 0 "[ . 1]" 2
48 1 49 TYR O 1 53 PHE N 2.900 2.600 3.200 2.997 2.681 3.245 0.045 8 0 "[ . 1]" 2
49 1 50 ILE O 1 54 TYR H 2.000 . 2.300 2.043 1.705 2.327 0.027 7 0 "[ . 1]" 2
50 1 50 ILE O 1 54 TYR N 2.900 2.600 3.200 2.869 2.604 3.182 . 0 0 "[ . 1]" 2
51 1 52 ALA O 1 56 GLU H 2.000 . 2.300 2.363 2.326 2.459 0.159 5 0 "[ . 1]" 2
52 1 52 ALA O 1 56 GLU N 2.900 2.600 3.200 3.183 3.078 3.245 0.045 10 0 "[ . 1]" 2
53 1 62 PRO O 1 66 ILE H 2.000 . 2.300 1.787 1.674 2.215 0.026 5 0 "[ . 1]" 2
54 1 62 PRO O 1 66 ILE N 2.900 2.600 3.200 2.674 2.548 3.177 0.052 9 0 "[ . 1]" 2
55 1 72 GLU O 1 76 LEU H 2.000 . 2.300 2.346 2.316 2.388 0.088 8 0 "[ . 1]" 2
56 1 72 GLU O 1 76 LEU N 2.900 2.600 3.200 3.276 3.248 3.304 0.104 3 0 "[ . 1]" 2
57 1 73 LEU O 1 77 ALA H 2.000 . 2.300 1.770 1.668 2.191 0.032 7 0 "[ . 1]" 2
58 1 73 LEU O 1 77 ALA N 2.900 2.600 3.200 2.675 2.550 3.139 0.050 1 0 "[ . 1]" 2
59 1 74 GLN O 1 78 SER H 2.000 . 2.300 1.985 1.706 2.130 . 0 0 "[ . 1]" 2
60 1 74 GLN O 1 78 SER N 2.900 2.600 3.200 2.897 2.535 3.062 0.065 10 0 "[ . 1]" 2
61 1 75 PRO O 1 79 GLU H 2.000 . 2.300 2.255 1.890 2.356 0.056 10 0 "[ . 1]" 2
62 1 75 PRO O 1 79 GLU N 2.900 2.600 3.200 3.181 2.816 3.256 0.056 3 0 "[ . 1]" 2
63 1 76 LEU O 1 80 LEU H 2.000 . 2.300 1.970 1.687 2.359 0.059 9 0 "[ . 1]" 2
64 1 76 LEU O 1 80 LEU N 2.900 2.600 3.200 2.778 2.560 3.164 0.040 3 0 "[ . 1]" 2
65 1 77 ALA O 1 81 SER H 2.000 . 2.300 2.132 1.935 2.303 0.003 6 0 "[ . 1]" 2
66 1 77 ALA O 1 81 SER N 2.900 2.600 3.200 2.747 2.548 2.917 0.052 3 0 "[ . 1]" 2
67 1 91 GLU O 1 95 GLU H 2.000 . 2.300 2.104 1.958 2.308 0.008 9 0 "[ . 1]" 2
68 1 91 GLU O 1 95 GLU N 2.900 2.600 3.200 3.048 2.870 3.226 0.026 9 0 "[ . 1]" 2
69 1 92 GLN O 1 96 ASP H 2.000 . 2.300 2.395 2.370 2.445 0.145 4 0 "[ . 1]" 2
70 1 92 GLN O 1 96 ASP N 2.900 2.600 3.200 3.191 3.081 3.285 0.085 3 0 "[ . 1]" 2
71 1 93 GLU O 1 97 TYR H 2.000 . 2.300 1.865 1.634 2.075 0.066 3 0 "[ . 1]" 2
72 1 93 GLU O 1 97 TYR N 2.900 2.600 3.200 2.782 2.574 3.045 0.026 3 0 "[ . 1]" 2
73 1 94 LEU O 1 98 ILE H 2.000 . 2.300 2.339 2.305 2.383 0.083 3 0 "[ . 1]" 2
74 1 94 LEU O 1 98 ILE N 2.900 2.600 3.200 3.224 3.143 3.271 0.071 6 0 "[ . 1]" 2
75 1 95 GLU O 1 99 ARG H 2.000 . 2.300 2.341 2.312 2.372 0.072 3 0 "[ . 1]" 2
76 1 95 GLU O 1 99 ARG N 2.900 2.600 3.200 3.250 3.208 3.297 0.097 7 0 "[ . 1]" 2
77 1 96 ASP O 1 100 HIS H 2.000 . 2.300 2.336 2.312 2.372 0.072 3 0 "[ . 1]" 2
78 1 96 ASP O 1 100 HIS N 2.900 2.600 3.200 3.170 3.124 3.233 0.033 3 0 "[ . 1]" 2
79 1 97 TYR O 1 101 VAL H 2.000 . 2.300 2.080 1.688 2.358 0.058 10 0 "[ . 1]" 2
80 1 97 TYR O 1 101 VAL N 2.900 2.600 3.200 2.966 2.644 3.184 . 0 0 "[ . 1]" 2
81 1 98 ILE O 1 102 LEU H 2.000 . 2.300 2.226 1.903 2.386 0.086 9 0 "[ . 1]" 2
82 1 98 ILE O 1 102 LEU N 2.900 2.600 3.200 3.067 2.769 3.206 0.006 9 0 "[ . 1]" 2
83 1 107 TRP O 1 111 LYS H 2.000 . 2.300 2.244 2.030 2.367 0.067 5 0 "[ . 1]" 2
84 1 107 TRP O 1 111 LYS N 2.900 2.600 3.200 3.124 2.947 3.227 0.027 7 0 "[ . 1]" 2
85 1 108 LEU O 1 112 VAL H 2.000 . 2.300 2.030 1.743 2.327 0.027 1 0 "[ . 1]" 2
86 1 108 LEU O 1 112 VAL N 2.900 2.600 3.200 2.944 2.594 3.216 0.016 1 0 "[ . 1]" 2
87 1 109 MET O 1 113 LYS H 2.000 . 2.300 2.074 1.806 2.325 0.025 6 0 "[ . 1]" 2
88 1 109 MET O 1 113 LYS N 2.900 2.600 3.200 2.965 2.593 3.237 0.037 6 0 "[ . 1]" 2
89 1 110 LEU O 1 114 GLU H 2.000 . 2.300 1.804 1.688 1.916 0.012 8 0 "[ . 1]" 2
90 1 110 LEU O 1 114 GLU N 2.900 2.600 3.200 2.564 2.514 2.627 0.086 5 0 "[ . 1]" 2
91 1 111 LYS O 1 115 GLN H 2.000 . 2.300 2.245 1.695 2.456 0.156 10 0 "[ . 1]" 2
92 1 111 LYS O 1 115 GLN N 2.900 2.600 3.200 3.123 2.621 3.368 0.168 10 0 "[ . 1]" 2
93 1 112 VAL O 1 116 GLU H 2.000 . 2.300 2.315 2.028 2.414 0.114 3 0 "[ . 1]" 2
94 1 112 VAL O 1 116 GLU N 2.900 2.600 3.200 3.222 2.983 3.305 0.105 3 0 "[ . 1]" 2
95 1 113 LYS O 1 117 LYS H 2.000 . 2.300 1.712 1.635 1.847 0.065 10 0 "[ . 1]" 2
96 1 113 LYS O 1 117 LYS N 2.900 2.600 3.200 2.575 2.459 2.813 0.141 10 0 "[ . 1]" 2
97 1 114 GLU O 1 118 THR H 2.000 . 2.300 1.906 1.713 2.335 0.035 10 0 "[ . 1]" 2
98 1 114 GLU O 1 118 THR N 2.900 2.600 3.200 2.724 2.533 3.272 0.072 10 0 "[ . 1]" 2
99 1 115 GLN O 1 119 GLU H 2.000 . 2.300 2.200 1.873 2.343 0.043 6 0 "[ . 1]" 2
100 1 115 GLN O 1 119 GLU N 2.900 2.600 3.200 3.112 2.797 3.216 0.016 10 0 "[ . 1]" 2
101 1 116 GLU O 1 120 ALA H 2.000 . 2.300 2.269 1.997 2.369 0.069 9 0 "[ . 1]" 2
102 1 116 GLU O 1 120 ALA N 2.900 2.600 3.200 3.149 2.761 3.276 0.076 6 0 "[ . 1]" 2
103 1 117 LYS O 1 121 GLU H 2.000 . 2.300 2.001 1.841 2.298 . 0 0 "[ . 1]" 2
104 1 117 LYS O 1 121 GLU N 2.900 2.600 3.200 2.719 2.553 2.976 0.047 6 0 "[ . 1]" 2
105 1 118 THR O 1 122 ARG H 2.000 . 2.300 2.142 1.906 2.311 0.011 7 0 "[ . 1]" 2
106 1 118 THR O 1 122 ARG N 2.900 2.600 3.200 3.052 2.784 3.209 0.009 5 0 "[ . 1]" 2
107 1 119 GLU O 1 123 ARG H 2.000 . 2.300 2.205 1.874 2.371 0.071 6 0 "[ . 1]" 2
108 1 119 GLU O 1 123 ARG N 2.900 2.600 3.200 3.134 2.824 3.234 0.034 8 0 "[ . 1]" 2
109 1 129 ALA O 1 133 ALA H 2.000 . 2.300 2.012 1.683 2.306 0.017 9 0 "[ . 1]" 2
110 1 129 ALA O 1 133 ALA N 2.900 2.600 3.200 2.959 2.628 3.225 0.025 4 0 "[ . 1]" 2
111 1 130 ALA O 1 134 LYS H 2.000 . 2.300 2.094 1.699 2.314 0.014 8 0 "[ . 1]" 2
112 1 130 ALA O 1 134 LYS N 2.900 2.600 3.200 2.991 2.606 3.219 0.019 10 0 "[ . 1]" 2
113 1 131 ARG O 1 135 GLU H 2.000 . 2.300 2.305 2.168 2.373 0.073 1 0 "[ . 1]" 2
114 1 131 ARG O 1 135 GLU N 2.900 2.600 3.200 3.161 2.980 3.212 0.012 9 0 "[ . 1]" 2
115 1 132 ILE O 1 136 MET H 2.000 . 2.300 2.126 1.686 2.363 0.063 2 0 "[ . 1]" 2
116 1 132 ILE O 1 136 MET N 2.900 2.600 3.200 3.053 2.649 3.251 0.051 2 0 "[ . 1]" 2
117 1 133 ALA O 1 137 ILE H 2.000 . 2.300 2.150 1.816 2.324 0.024 2 0 "[ . 1]" 2
118 1 133 ALA O 1 137 ILE N 2.900 2.600 3.200 3.071 2.747 3.301 0.101 2 0 "[ . 1]" 2
119 1 134 LYS O 1 138 GLU H 2.000 . 2.300 2.218 1.976 2.341 0.041 8 0 "[ . 1]" 2
120 1 134 LYS O 1 138 GLU N 2.900 2.600 3.200 2.983 2.710 3.184 . 0 0 "[ . 1]" 2
121 1 135 GLU O 1 139 MET H 2.000 . 2.300 1.980 1.770 2.343 0.043 10 0 "[ . 1]" 2
122 1 135 GLU O 1 139 MET N 2.900 2.600 3.200 2.806 2.581 3.169 0.019 1 0 "[ . 1]" 2
123 1 136 MET O 1 140 LYS H 2.000 . 2.300 1.892 1.693 2.349 0.049 5 0 "[ . 1]" 2
124 1 136 MET O 1 140 LYS N 2.900 2.600 3.200 2.761 2.573 3.235 0.035 5 0 "[ . 1]" 2
125 1 137 ILE O 1 141 LYS H 2.000 . 2.300 2.337 2.318 2.378 0.078 2 0 "[ . 1]" 2
126 1 137 ILE O 1 141 LYS N 2.900 2.600 3.200 3.183 3.126 3.235 0.035 10 0 "[ . 1]" 2
127 1 138 GLU O 1 142 MET H 2.000 . 2.300 2.100 1.689 2.353 0.053 4 0 "[ . 1]" 2
128 1 138 GLU O 1 142 MET N 2.900 2.600 3.200 3.032 2.662 3.232 0.032 7 0 "[ . 1]" 2
129 1 139 MET O 1 143 LEU H 2.000 . 2.300 2.286 2.191 2.335 0.035 9 0 "[ . 1]" 2
130 1 139 MET O 1 143 LEU N 2.900 2.600 3.200 3.156 3.054 3.226 0.026 1 0 "[ . 1]" 2
stop_
save_
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