NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607926 |
2n3f   |
25138 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3f
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 1135
_Distance_constraint_stats_list.Viol_count 1072
_Distance_constraint_stats_list.Viol_total 939.569
_Distance_constraint_stats_list.Viol_max 0.653
_Distance_constraint_stats_list.Viol_rms 0.0372
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0876
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.000 0.000 . 0 "[ . 1]"
1 4 VAL 5.932 0.543 7 2 "[ -. + 1]"
1 5 TYR 5.623 0.543 7 2 "[ -. + 1]"
1 6 LYS 0.242 0.062 10 0 "[ . 1]"
1 7 GLY 0.000 0.000 . 0 "[ . 1]"
1 8 GLN 0.860 0.080 4 0 "[ . 1]"
1 9 LEU 3.178 0.275 6 0 "[ . 1]"
1 10 GLN 2.851 0.275 6 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 TYR 0.226 0.048 4 0 "[ . 1]"
1 13 ALA 1.040 0.126 3 0 "[ . 1]"
1 14 LEU 0.347 0.068 6 0 "[ . 1]"
1 15 GLN 0.384 0.068 6 0 "[ . 1]"
1 16 HIS 0.000 0.000 . 0 "[ . 1]"
1 17 ASN 0.079 0.047 3 0 "[ . 1]"
1 18 LEU 1.008 0.210 3 0 "[ . 1]"
1 19 GLU 0.498 0.091 6 0 "[ . 1]"
1 20 LEU 0.481 0.091 6 0 "[ . 1]"
1 21 PRO 0.835 0.125 3 0 "[ . 1]"
1 22 VAL 1.795 0.122 2 0 "[ . 1]"
1 23 TYR 6.135 0.203 2 0 "[ . 1]"
1 24 ALA 0.632 0.116 2 0 "[ . 1]"
1 25 ASN 0.200 0.057 9 0 "[ . 1]"
1 26 GLU 2.040 0.244 8 0 "[ . 1]"
1 27 ARG 1.113 0.088 10 0 "[ . 1]"
1 28 GLU 1.529 0.117 6 0 "[ . 1]"
1 29 GLY 0.000 0.000 . 0 "[ . 1]"
1 30 PRO 0.000 0.000 . 0 "[ . 1]"
1 31 PRO 0.000 0.000 . 0 "[ . 1]"
1 32 HIS 0.000 0.000 . 0 "[ . 1]"
1 33 ALA 0.000 0.000 . 0 "[ . 1]"
1 34 PRO 0.000 0.000 . 0 "[ . 1]"
1 35 ARG 0.896 0.117 6 0 "[ . 1]"
1 36 PHE 7.611 0.225 2 0 "[ . 1]"
1 37 ARG 2.378 0.203 6 0 "[ . 1]"
1 38 CYS 0.449 0.068 6 0 "[ . 1]"
1 39 ASN 1.183 0.136 8 0 "[ . 1]"
1 40 VAL 0.528 0.075 3 0 "[ . 1]"
1 41 THR 0.746 0.116 2 0 "[ . 1]"
1 42 PHE 2.407 0.125 3 0 "[ . 1]"
1 43 CYS 0.175 0.034 2 0 "[ . 1]"
1 44 GLY 0.000 0.000 . 0 "[ . 1]"
1 45 GLN 0.773 0.112 2 0 "[ . 1]"
1 46 THR 0.786 0.129 4 0 "[ . 1]"
1 47 PHE 3.099 0.214 8 0 "[ . 1]"
1 48 GLN 0.690 0.092 6 0 "[ . 1]"
1 51 GLU 0.000 0.000 . 0 "[ . 1]"
1 52 PHE 3.918 0.310 1 0 "[ . 1]"
1 53 PHE 7.624 0.310 1 0 "[ . 1]"
1 54 PRO 0.000 0.000 . 0 "[ . 1]"
1 55 THR 1.057 0.121 9 0 "[ . 1]"
1 56 LEU 3.864 0.225 2 0 "[ . 1]"
1 57 LYS 0.000 0.000 . 0 "[ . 1]"
1 58 SER 0.000 0.000 . 0 "[ . 1]"
1 59 ALA 0.000 0.000 . 0 "[ . 1]"
1 60 GLU 1.098 0.091 9 0 "[ . 1]"
1 61 HIS 0.226 0.132 4 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 ALA 0.990 0.157 6 0 "[ . 1]"
1 64 ALA 0.642 0.062 10 0 "[ . 1]"
1 65 LYS 1.511 0.162 1 0 "[ . 1]"
1 66 ILE 1.680 0.157 6 0 "[ . 1]"
1 67 ALA 0.000 0.000 . 0 "[ . 1]"
1 68 VAL 0.649 0.125 2 0 "[ . 1]"
1 69 ALA 0.000 0.000 . 0 "[ . 1]"
1 70 SER 0.216 0.042 1 0 "[ . 1]"
1 71 LEU 1.590 0.219 2 0 "[ . 1]"
1 72 THR 1.289 0.219 2 0 "[ . 1]"
1 77 GLU 0.000 0.000 . 0 "[ . 1]"
1 78 GLY 0.019 0.019 2 0 "[ . 1]"
1 79 ILE 0.411 0.227 8 0 "[ . 1]"
1 80 ASP 0.815 0.227 8 0 "[ . 1]"
1 81 VAL 2.582 0.426 10 0 "[ . 1]"
1 82 ALA 3.546 0.246 6 0 "[ . 1]"
1 83 TYR 4.318 0.426 10 0 "[ . 1]"
1 84 LYS 0.748 0.129 9 0 "[ . 1]"
1 85 ASN 1.721 0.246 6 0 "[ . 1]"
1 86 LEU 4.098 0.653 4 1 "[ +. 1]"
1 87 LEU 0.469 0.156 9 0 "[ . 1]"
1 88 GLN 0.320 0.094 10 0 "[ . 1]"
1 89 GLU 4.031 0.653 4 1 "[ +. 1]"
1 90 ILE 0.121 0.034 6 0 "[ . 1]"
1 91 ALA 0.677 0.132 8 0 "[ . 1]"
1 92 GLN 0.098 0.029 2 0 "[ . 1]"
1 93 LYS 0.000 0.000 . 0 "[ . 1]"
1 94 GLU 0.000 0.000 . 0 "[ . 1]"
1 95 SER 0.043 0.023 10 0 "[ . 1]"
1 96 SER 0.348 0.044 2 0 "[ . 1]"
1 97 LEU 0.000 0.000 . 0 "[ . 1]"
1 98 LEU 0.655 0.132 8 0 "[ . 1]"
1 99 PRO 0.154 0.094 10 0 "[ . 1]"
1 100 PHE 1.089 0.230 3 0 "[ . 1]"
1 101 TYR 0.658 0.230 3 0 "[ . 1]"
1 102 ALA 0.016 0.016 1 0 "[ . 1]"
1 103 THR 1.426 0.146 5 0 "[ . 1]"
1 104 ALA 2.145 0.146 5 0 "[ . 1]"
1 105 THR 1.793 0.187 6 0 "[ . 1]"
1 106 SER 0.346 0.056 6 0 "[ . 1]"
1 107 GLY 1.009 0.183 4 0 "[ . 1]"
1 108 PRO 5.806 0.458 10 0 "[ . 1]"
1 109 SER 0.038 0.038 7 0 "[ . 1]"
1 110 HIS 1.967 0.200 2 0 "[ . 1]"
1 111 ALA 4.629 0.458 10 0 "[ . 1]"
1 112 PRO 0.038 0.038 7 0 "[ . 1]"
1 113 THR 2.629 0.183 4 0 "[ . 1]"
1 114 PHE 2.614 0.148 6 0 "[ . 1]"
1 115 THR 0.145 0.042 1 0 "[ . 1]"
1 116 SER 0.860 0.141 2 0 "[ . 1]"
1 117 THR 0.225 0.110 1 0 "[ . 1]"
1 118 VAL 0.340 0.110 8 0 "[ . 1]"
1 119 GLU 0.420 0.116 6 0 "[ . 1]"
1 120 PHE 1.195 0.166 8 0 "[ . 1]"
1 121 ALA 0.292 0.044 2 0 "[ . 1]"
1 122 GLY 0.000 0.000 . 0 "[ . 1]"
1 123 LYS 0.747 0.116 6 0 "[ . 1]"
1 124 VAL 0.698 0.166 8 0 "[ . 1]"
1 125 PHE 1.599 0.139 8 0 "[ . 1]"
1 126 SER 0.361 0.069 7 0 "[ . 1]"
1 127 GLY 0.031 0.021 6 0 "[ . 1]"
1 128 GLU 8.195 0.436 10 0 "[ . 1]"
1 129 GLU 1.142 0.258 6 0 "[ . 1]"
1 130 ALA 0.326 0.073 3 0 "[ . 1]"
1 131 LYS 0.376 0.058 6 0 "[ . 1]"
1 132 THR 0.784 0.070 2 0 "[ . 1]"
1 133 LYS 0.385 0.053 4 0 "[ . 1]"
1 134 LYS 0.193 0.046 6 0 "[ . 1]"
1 135 LEU 0.959 0.125 6 0 "[ . 1]"
1 136 ALA 0.418 0.073 9 0 "[ . 1]"
1 137 GLU 0.238 0.053 4 0 "[ . 1]"
1 138 MET 0.000 0.000 . 0 "[ . 1]"
1 139 SER 4.887 0.436 10 0 "[ . 1]"
1 140 ALA 0.018 0.018 9 0 "[ . 1]"
1 141 ALA 0.000 0.000 . 0 "[ . 1]"
1 142 LYS 0.000 0.000 . 0 "[ . 1]"
1 143 VAL 0.431 0.139 8 0 "[ . 1]"
1 144 ALA 0.412 0.110 8 0 "[ . 1]"
1 145 PHE 0.379 0.100 6 0 "[ . 1]"
1 146 MET 0.394 0.130 6 0 "[ . 1]"
1 147 SER 0.749 0.131 6 0 "[ . 1]"
1 148 ILE 0.260 0.058 8 0 "[ . 1]"
1 149 LYS 1.674 0.181 6 0 "[ . 1]"
1 150 ASN 0.032 0.023 2 0 "[ . 1]"
1 151 GLY 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 VAL H 1 5 TYR H 3.000 . 3.500 2.207 1.772 2.943 0.028 3 0 "[ . 1]" 1
2 1 5 TYR H 1 6 LYS H 3.000 . 3.500 2.582 2.348 2.682 . 0 0 "[ . 1]" 1
3 1 8 GLN H 1 9 LEU H 3.000 . 3.500 2.541 2.513 2.562 . 0 0 "[ . 1]" 1
4 1 8 GLN H 1 10 GLN H 4.000 . 4.500 3.849 3.801 3.915 . 0 0 "[ . 1]" 1
5 1 9 LEU H 1 10 GLN H 3.000 . 3.500 2.655 2.623 2.685 . 0 0 "[ . 1]" 1
6 1 9 LEU H 1 11 ALA H 4.000 . 4.500 4.074 4.017 4.190 . 0 0 "[ . 1]" 1
7 1 10 GLN H 1 11 ALA H 3.000 . 3.500 2.692 2.665 2.743 . 0 0 "[ . 1]" 1
8 1 10 GLN H 1 12 TYR H 4.000 . 4.500 4.174 4.085 4.278 . 0 0 "[ . 1]" 1
9 1 11 ALA H 1 12 TYR H 3.000 . 3.500 2.621 2.588 2.671 . 0 0 "[ . 1]" 1
10 1 11 ALA H 1 13 ALA H 4.000 . 4.500 4.312 4.236 4.417 . 0 0 "[ . 1]" 1
11 1 12 TYR H 1 13 ALA H 3.000 . 3.500 2.751 2.716 2.800 . 0 0 "[ . 1]" 1
12 1 12 TYR H 1 14 LEU H 4.000 . 4.500 4.050 3.974 4.229 . 0 0 "[ . 1]" 1
13 1 13 ALA H 1 14 LEU H 3.000 . 3.500 2.714 2.658 2.753 . 0 0 "[ . 1]" 1
14 1 13 ALA H 1 15 GLN H 4.000 . 4.500 4.298 4.089 4.409 . 0 0 "[ . 1]" 1
15 1 14 LEU H 1 15 GLN H 3.000 . 3.500 2.698 2.566 2.734 . 0 0 "[ . 1]" 1
16 1 14 LEU H 1 16 HIS H 4.000 . 4.500 4.086 3.829 4.386 . 0 0 "[ . 1]" 1
17 1 15 GLN H 1 16 HIS H 3.000 . 3.500 2.568 2.396 2.787 . 0 0 "[ . 1]" 1
18 1 15 GLN H 1 17 ASN H 4.000 . 4.500 3.699 3.564 3.800 . 0 0 "[ . 1]" 1
19 1 16 HIS H 1 17 ASN H 3.000 . 3.500 2.388 2.309 2.469 . 0 0 "[ . 1]" 1
20 1 16 HIS H 1 18 LEU H 5.000 . 5.500 4.506 4.060 4.851 . 0 0 "[ . 1]" 1
21 1 17 ASN H 1 18 LEU H 3.000 . 3.500 3.046 2.859 3.253 . 0 0 "[ . 1]" 1
22 1 18 LEU H 1 19 GLU H 5.000 . 5.500 4.436 4.359 4.503 . 0 0 "[ . 1]" 1
23 1 19 GLU H 1 20 LEU H 4.000 . 4.500 4.544 4.490 4.591 0.091 6 0 "[ . 1]" 1
24 1 22 VAL H 1 23 TYR H 5.000 . 5.500 4.303 4.254 4.353 . 0 0 "[ . 1]" 1
25 1 22 VAL H 1 41 THR H 3.000 . 3.500 3.491 3.347 3.534 0.034 8 0 "[ . 1]" 1
26 1 23 TYR H 1 24 ALA H 5.000 . 5.500 4.511 4.485 4.529 . 0 0 "[ . 1]" 1
27 1 24 ALA H 1 25 ASN H 5.000 . 5.500 4.354 4.168 4.502 . 0 0 "[ . 1]" 1
28 1 24 ALA H 1 39 ASN H 3.000 . 3.500 2.901 2.829 3.000 . 0 0 "[ . 1]" 1
29 1 24 ALA H 1 41 THR H 4.000 . 4.500 4.563 4.525 4.616 0.116 2 0 "[ . 1]" 1
30 1 25 ASN H 1 26 GLU H 5.000 . 5.500 4.419 4.291 4.533 . 0 0 "[ . 1]" 1
31 1 26 GLU H 1 27 ARG H 5.000 . 5.500 4.317 4.194 4.430 . 0 0 "[ . 1]" 1
32 1 26 GLU H 1 37 ARG H 4.000 . 4.500 3.775 3.706 3.828 . 0 0 "[ . 1]" 1
33 1 26 GLU H 1 39 ASN H 4.000 . 5.000 5.118 5.082 5.136 0.136 8 0 "[ . 1]" 1
34 1 27 ARG H 1 28 GLU H 5.000 . 5.500 4.207 4.136 4.241 . 0 0 "[ . 1]" 1
35 1 28 GLU H 1 29 GLY H 5.000 . 5.500 4.148 4.108 4.179 . 0 0 "[ . 1]" 1
36 1 28 GLU H 1 35 ARG H 3.000 . 3.500 3.135 3.067 3.203 . 0 0 "[ . 1]" 1
37 1 29 GLY H 1 35 ARG H 5.000 . 5.500 4.529 4.468 4.580 . 0 0 "[ . 1]" 1
38 1 32 HIS H 1 33 ALA H 3.000 . 3.500 2.465 2.377 2.530 . 0 0 "[ . 1]" 1
39 1 36 PHE H 1 37 ARG H 5.000 . 5.500 4.080 4.057 4.097 . 0 0 "[ . 1]" 1
40 1 36 PHE H 1 53 PHE H 3.000 . 3.500 3.579 3.537 3.613 0.113 5 0 "[ . 1]" 1
41 1 37 ARG H 1 38 CYS H 5.000 . 5.500 4.216 4.189 4.265 . 0 0 "[ . 1]" 1
42 1 39 ASN H 1 40 VAL H 5.000 . 5.500 4.548 4.512 4.572 . 0 0 "[ . 1]" 1
43 1 40 VAL H 1 47 PHE H 3.000 . 3.500 3.221 3.135 3.383 . 0 0 "[ . 1]" 1
44 1 41 THR H 1 42 PHE H 5.000 . 5.500 4.440 4.398 4.477 . 0 0 "[ . 1]" 1
45 1 42 PHE H 1 43 CYS H 4.000 . 4.500 4.256 4.218 4.292 . 0 0 "[ . 1]" 1
46 1 42 PHE H 1 45 GLN H 4.000 . 4.500 2.360 2.162 2.491 . 0 0 "[ . 1]" 1
47 1 42 PHE H 1 47 PHE H 5.000 . 5.500 4.620 4.486 4.887 . 0 0 "[ . 1]" 1
48 1 43 CYS H 1 44 GLY H 3.000 . 3.500 2.864 2.776 2.907 . 0 0 "[ . 1]" 1
49 1 44 GLY H 1 45 GLN H 4.000 . 4.500 2.532 2.403 2.626 . 0 0 "[ . 1]" 1
50 1 45 GLN H 1 46 THR H 5.000 . 5.500 4.285 4.242 4.351 . 0 0 "[ . 1]" 1
51 1 46 THR H 1 47 PHE H 4.000 . 4.500 4.181 4.093 4.223 . 0 0 "[ . 1]" 1
52 1 52 PHE H 1 53 PHE H 4.000 . 5.000 4.511 4.387 4.588 . 0 0 "[ . 1]" 1
53 1 56 LEU H 1 57 LYS H 4.000 . 4.500 2.960 2.876 2.999 . 0 0 "[ . 1]" 1
54 1 57 LYS H 1 58 SER H 3.000 . 3.500 2.800 2.745 2.842 . 0 0 "[ . 1]" 1
55 1 58 SER H 1 59 ALA H 3.000 . 3.500 2.695 2.673 2.723 . 0 0 "[ . 1]" 1
56 1 59 ALA H 1 60 GLU H 3.000 . 3.500 2.627 2.581 2.678 . 0 0 "[ . 1]" 1
57 1 60 GLU H 1 61 HIS H 3.000 . 3.500 2.670 2.633 2.721 . 0 0 "[ . 1]" 1
58 1 61 HIS H 1 62 ALA H 3.000 . 3.500 2.658 2.565 2.710 . 0 0 "[ . 1]" 1
59 1 62 ALA H 1 63 ALA H 3.000 . 3.500 2.618 2.576 2.678 . 0 0 "[ . 1]" 1
60 1 63 ALA H 1 64 ALA H 3.000 . 3.500 2.864 2.833 2.898 . 0 0 "[ . 1]" 1
61 1 63 ALA H 1 65 LYS H 4.000 . 4.500 3.969 3.938 4.003 . 0 0 "[ . 1]" 1
62 1 64 ALA H 1 65 LYS H 3.000 . 3.500 2.616 2.583 2.671 . 0 0 "[ . 1]" 1
63 1 65 LYS H 1 66 ILE H 3.000 . 3.500 2.787 2.769 2.815 . 0 0 "[ . 1]" 1
64 1 66 ILE H 1 67 ALA H 3.000 . 3.500 2.598 2.448 2.754 . 0 0 "[ . 1]" 1
65 1 67 ALA H 1 68 VAL H 3.000 . 3.500 2.637 2.590 2.682 . 0 0 "[ . 1]" 1
66 1 67 ALA H 1 69 ALA H 4.000 . 4.500 3.925 3.766 4.059 . 0 0 "[ . 1]" 1
67 1 68 VAL H 1 69 ALA H 3.000 . 3.500 2.709 2.573 2.780 . 0 0 "[ . 1]" 1
68 1 68 VAL H 1 70 SER H 4.000 . 4.500 3.926 3.871 3.989 . 0 0 "[ . 1]" 1
69 1 69 ALA H 1 70 SER H 3.000 . 3.500 2.458 2.376 2.516 . 0 0 "[ . 1]" 1
70 1 69 ALA H 1 71 LEU H 4.000 . 4.500 4.132 4.027 4.322 . 0 0 "[ . 1]" 1
71 1 70 SER H 1 71 LEU H 3.000 . 3.500 2.387 2.281 2.530 . 0 0 "[ . 1]" 1
72 1 71 LEU H 1 72 THR H 3.000 . 3.500 2.488 2.396 2.555 . 0 0 "[ . 1]" 1
73 1 78 GLY H 1 79 ILE H 4.000 . 4.500 3.536 1.882 4.519 0.019 2 0 "[ . 1]" 1
74 1 79 ILE H 1 80 ASP H 3.000 . 3.500 2.835 1.655 3.727 0.227 8 0 "[ . 1]" 1
75 1 80 ASP H 1 81 VAL H 3.000 . 3.500 3.198 2.218 3.713 0.213 10 0 "[ . 1]" 1
76 1 81 VAL H 1 82 ALA H 3.000 . 3.500 2.577 1.639 3.588 0.161 10 0 "[ . 1]" 1
77 1 81 VAL H 1 83 TYR H 4.000 . 4.500 4.641 4.402 4.926 0.426 10 0 "[ . 1]" 1
78 1 82 ALA H 1 83 TYR H 3.000 . 3.500 3.543 3.356 3.615 0.115 4 0 "[ . 1]" 1
79 1 82 ALA H 1 84 LYS H 4.000 . 4.500 4.473 3.583 4.629 0.129 9 0 "[ . 1]" 1
80 1 83 TYR H 1 84 LYS H 3.000 . 3.500 2.727 2.619 2.875 . 0 0 "[ . 1]" 1
81 1 83 TYR H 1 85 ASN H 4.000 . 4.500 4.514 4.361 4.587 0.087 7 0 "[ . 1]" 1
82 1 84 LYS H 1 85 ASN H 3.000 . 3.500 2.695 2.558 2.775 . 0 0 "[ . 1]" 1
83 1 84 LYS H 1 86 LEU H 4.000 . 4.500 4.191 3.962 4.404 . 0 0 "[ . 1]" 1
84 1 85 ASN H 1 86 LEU H 3.000 . 3.500 2.685 2.531 2.764 . 0 0 "[ . 1]" 1
85 1 85 ASN H 1 87 LEU H 4.000 . 4.500 4.259 3.967 4.514 0.014 10 0 "[ . 1]" 1
86 1 86 LEU H 1 87 LEU H 3.000 . 3.500 2.711 2.625 2.833 . 0 0 "[ . 1]" 1
87 1 86 LEU H 1 88 GLN H 4.000 . 4.500 4.023 3.960 4.195 . 0 0 "[ . 1]" 1
88 1 87 LEU H 1 88 GLN H 3.000 . 3.500 2.706 2.665 2.769 . 0 0 "[ . 1]" 1
89 1 87 LEU H 1 89 GLU H 4.000 . 4.500 3.981 3.867 4.071 . 0 0 "[ . 1]" 1
90 1 88 GLN H 1 89 GLU H 3.000 . 3.500 2.436 2.397 2.481 . 0 0 "[ . 1]" 1
91 1 88 GLN H 1 90 ILE H 4.000 . 4.500 4.311 4.240 4.395 . 0 0 "[ . 1]" 1
92 1 89 GLU H 1 90 ILE H 3.000 . 3.500 2.647 2.616 2.681 . 0 0 "[ . 1]" 1
93 1 89 GLU H 1 91 ALA H 4.000 . 4.500 3.962 3.896 4.076 . 0 0 "[ . 1]" 1
94 1 90 ILE H 1 91 ALA H 3.000 . 3.500 2.572 2.510 2.643 . 0 0 "[ . 1]" 1
95 1 90 ILE H 1 92 GLN H 4.000 . 4.500 4.347 4.242 4.436 . 0 0 "[ . 1]" 1
96 1 91 ALA H 1 92 GLN H 3.000 . 3.500 2.826 2.724 2.876 . 0 0 "[ . 1]" 1
97 1 91 ALA H 1 93 LYS H 4.000 . 4.500 4.136 4.062 4.259 . 0 0 "[ . 1]" 1
98 1 92 GLN H 1 93 LYS H 3.000 . 3.500 2.627 2.552 2.728 . 0 0 "[ . 1]" 1
99 1 93 LYS H 1 94 GLU H 4.000 . 4.500 2.757 2.716 2.804 . 0 0 "[ . 1]" 1
100 1 95 SER H 1 96 SER H 4.000 . 4.500 2.816 2.592 3.296 . 0 0 "[ . 1]" 1
101 1 100 PHE H 1 101 TYR H 4.000 . 4.500 4.032 3.926 4.243 . 0 0 "[ . 1]" 1
102 1 100 PHE H 1 119 GLU H 3.000 . 3.500 2.348 2.149 2.789 . 0 0 "[ . 1]" 1
103 1 102 ALA H 1 117 THR H 3.000 . 3.500 2.977 2.613 3.415 . 0 0 "[ . 1]" 1
104 1 104 ALA H 1 115 THR H 4.000 . 4.500 2.864 2.770 3.154 . 0 0 "[ . 1]" 1
105 1 106 SER H 1 113 THR H 3.000 . 3.500 3.528 3.473 3.556 0.056 6 0 "[ . 1]" 1
106 1 109 SER H 1 110 HIS H 3.000 . 3.500 2.570 2.542 2.609 . 0 0 "[ . 1]" 1
107 1 110 HIS H 1 111 ALA H 3.000 . 3.500 2.298 2.224 2.337 . 0 0 "[ . 1]" 1
108 1 113 THR H 1 114 PHE H 5.000 . 5.500 4.451 4.334 4.499 . 0 0 "[ . 1]" 1
109 1 114 PHE H 1 115 THR H 5.000 . 5.500 4.413 4.398 4.431 . 0 0 "[ . 1]" 1
110 1 114 PHE H 1 130 ALA H 3.000 . 3.500 3.159 2.925 3.433 . 0 0 "[ . 1]" 1
111 1 118 VAL H 1 119 GLU H 5.000 . 5.500 4.412 4.222 4.496 . 0 0 "[ . 1]" 1
112 1 118 VAL H 1 125 PHE H 3.000 . 3.500 3.370 3.002 3.517 0.017 5 0 "[ . 1]" 1
113 1 120 PHE H 1 121 ALA H 5.000 . 5.500 4.376 4.278 4.474 . 0 0 "[ . 1]" 1
114 1 120 PHE H 1 123 LYS H 3.000 . 3.500 3.262 2.735 3.516 0.016 8 0 "[ . 1]" 1
115 1 121 ALA H 1 122 GLY H 4.000 . 4.500 2.614 2.389 2.770 . 0 0 "[ . 1]" 1
116 1 122 GLY H 1 123 LYS H 3.000 . 3.500 2.474 2.392 2.535 . 0 0 "[ . 1]" 1
117 1 124 VAL H 1 125 PHE H 5.000 . 5.500 4.361 4.323 4.569 . 0 0 "[ . 1]" 1
118 1 125 PHE H 1 126 SER H . . 4.500 4.350 3.787 4.546 0.046 5 0 "[ . 1]" 1
119 1 127 GLY H 1 128 GLU H 5.000 . 5.500 4.460 4.389 4.537 . 0 0 "[ . 1]" 1
120 1 129 GLU H 1 130 ALA H 5.000 . 5.500 4.558 4.469 4.639 . 0 0 "[ . 1]" 1
121 1 131 LYS H 1 132 THR H 4.000 . 4.500 3.101 3.030 3.175 . 0 0 "[ . 1]" 1
122 1 132 THR H 1 133 LYS H 4.000 . 4.500 4.302 4.280 4.332 . 0 0 "[ . 1]" 1
123 1 133 LYS H 1 134 LYS H 3.000 . 3.500 2.416 2.342 2.534 . 0 0 "[ . 1]" 1
124 1 134 LYS H 1 135 LEU H 3.000 . 3.500 2.832 2.733 2.962 . 0 0 "[ . 1]" 1
125 1 135 LEU H 1 136 ALA H 3.000 . 3.500 2.672 2.625 2.693 . 0 0 "[ . 1]" 1
126 1 136 ALA H 1 137 GLU H 3.000 . 3.500 2.891 2.820 2.939 . 0 0 "[ . 1]" 1
127 1 137 GLU H 1 138 MET H 3.000 . 3.500 2.658 2.580 2.749 . 0 0 "[ . 1]" 1
128 1 137 GLU H 1 139 SER H 4.000 . 4.500 4.286 4.208 4.344 . 0 0 "[ . 1]" 1
129 1 138 MET H 1 139 SER H 3.000 . 3.500 2.766 2.713 2.811 . 0 0 "[ . 1]" 1
130 1 139 SER H 1 140 ALA H 3.000 . 3.500 2.602 2.480 2.707 . 0 0 "[ . 1]" 1
131 1 140 ALA H 1 141 ALA H 3.000 . 3.500 2.653 2.601 2.684 . 0 0 "[ . 1]" 1
132 1 141 ALA H 1 142 LYS H 3.000 . 3.500 2.565 2.503 2.687 . 0 0 "[ . 1]" 1
133 1 142 LYS H 1 143 VAL H 3.000 . 3.500 2.611 2.596 2.631 . 0 0 "[ . 1]" 1
134 1 143 VAL H 1 144 ALA H 3.000 . 3.500 2.629 2.543 2.780 . 0 0 "[ . 1]" 1
135 1 144 ALA H 1 145 PHE H 3.000 . 3.500 2.708 2.648 2.842 . 0 0 "[ . 1]" 1
136 1 144 ALA H 1 146 MET H 4.000 . 4.500 4.217 4.119 4.383 . 0 0 "[ . 1]" 1
137 1 145 PHE H 1 146 MET H 3.000 . 3.500 2.804 2.739 2.881 . 0 0 "[ . 1]" 1
138 1 146 MET H 1 147 SER H 3.000 . 3.500 2.656 2.598 2.768 . 0 0 "[ . 1]" 1
139 1 147 SER H 1 148 ILE H 3.000 . 3.500 2.611 2.569 2.704 . 0 0 "[ . 1]" 1
140 1 148 ILE H 1 149 LYS H 3.000 . 3.500 2.698 2.569 2.800 . 0 0 "[ . 1]" 1
141 1 148 ILE H 1 150 ASN H 4.000 . 4.500 4.302 3.944 4.523 0.023 2 0 "[ . 1]" 1
142 1 149 LYS H 1 150 ASN H 3.000 . 3.500 2.768 2.678 2.972 . 0 0 "[ . 1]" 1
143 1 150 ASN H 1 151 GLY H 4.000 . 4.500 3.023 1.972 4.407 . 0 0 "[ . 1]" 1
144 1 3 HIS HA 1 4 VAL H 4.000 . 4.500 2.578 2.177 3.228 . 0 0 "[ . 1]" 1
145 1 4 VAL H 1 4 VAL HA 3.000 . 3.500 2.860 2.673 2.944 . 0 0 "[ . 1]" 1
146 1 4 VAL H 1 4 VAL HB 3.000 . 3.500 3.670 3.555 3.783 0.283 6 0 "[ . 1]" 1
147 1 4 VAL H 1 4 VAL MG1 3.000 . 3.500 2.508 1.778 3.012 0.022 8 0 "[ . 1]" 1
148 1 4 VAL H 1 4 VAL MG2 4.000 . 4.500 2.124 1.784 2.516 0.016 7 0 "[ . 1]" 1
149 1 4 VAL HA 1 5 TYR H 3.000 . 3.500 3.514 3.461 3.549 0.049 4 0 "[ . 1]" 1
150 1 4 VAL MG1 1 5 TYR H 4.000 . 4.500 3.830 3.749 3.916 . 0 0 "[ . 1]" 1
151 1 4 VAL MG2 1 5 TYR H 4.000 . 4.500 2.083 1.715 2.382 0.085 7 0 "[ . 1]" 1
152 1 5 TYR H 1 5 TYR HD1 3.000 . 3.500 1.951 1.750 2.683 0.050 6 0 "[ . 1]" 1
153 1 5 TYR HA 1 8 GLN H 4.000 . 4.500 3.328 3.282 3.379 . 0 0 "[ . 1]" 1
154 1 5 TYR HD2 1 65 LYS H 3.000 . 3.500 3.457 2.690 3.662 0.162 1 0 "[ . 1]" 1
155 1 6 LYS H 1 64 ALA MB 4.000 . 4.500 3.911 3.794 4.167 . 0 0 "[ . 1]" 1
156 1 7 GLY QA 1 8 GLN H 3.000 . 3.500 2.829 2.799 2.860 . 0 0 "[ . 1]" 1
157 1 7 GLY QA 1 10 GLN H 4.000 . 4.500 3.736 3.670 3.822 . 0 0 "[ . 1]" 1
158 1 8 GLN H 1 8 GLN HA 3.000 . 3.500 2.871 2.865 2.882 . 0 0 "[ . 1]" 1
159 1 8 GLN H 1 8 GLN QB 3.000 . 3.500 2.314 2.155 2.614 . 0 0 "[ . 1]" 1
160 1 8 GLN HA 1 9 LEU H 3.000 . 3.500 3.548 3.540 3.554 0.054 2 0 "[ . 1]" 1
161 1 8 GLN QB 1 9 LEU H 3.000 . 3.500 2.331 2.260 2.420 . 0 0 "[ . 1]" 1
162 1 8 GLN H 1 9 LEU QB 5.000 . 5.500 4.285 4.265 4.312 . 0 0 "[ . 1]" 1
163 1 8 GLN HA 1 10 GLN H 4.000 . 4.500 4.538 4.510 4.580 0.080 4 0 "[ . 1]" 1
164 1 8 GLN HA 1 11 ALA H 4.000 . 4.500 3.546 3.477 3.591 . 0 0 "[ . 1]" 1
165 1 9 LEU H 1 9 LEU HA 3.000 . 3.500 2.815 2.808 2.821 . 0 0 "[ . 1]" 1
166 1 9 LEU H 1 9 LEU QB 3.000 . 3.500 2.247 2.197 2.266 . 0 0 "[ . 1]" 1
167 1 9 LEU H 1 9 LEU MD1 5.000 . 5.500 3.935 3.728 4.026 . 0 0 "[ . 1]" 1
168 1 9 LEU H 1 9 LEU MD2 5.000 . 5.500 4.297 4.281 4.305 . 0 0 "[ . 1]" 1
169 1 9 LEU HA 1 10 GLN H 4.000 . 4.500 3.495 3.480 3.518 . 0 0 "[ . 1]" 1
170 1 9 LEU QB 1 10 GLN H 3.000 . 3.500 2.488 2.457 2.530 . 0 0 "[ . 1]" 1
171 1 9 LEU HG 1 10 GLN H 4.000 . 4.500 3.815 3.623 4.137 . 0 0 "[ . 1]" 1
172 1 9 LEU HA 1 11 ALA H 4.000 . 4.500 4.220 4.058 4.351 . 0 0 "[ . 1]" 1
173 1 9 LEU HA 1 12 TYR H 3.000 . 3.500 3.320 3.234 3.363 . 0 0 "[ . 1]" 1
174 1 9 LEU MD1 1 68 VAL H 4.000 . 5.000 4.106 3.722 4.726 . 0 0 "[ . 1]" 1
175 1 10 GLN H 1 10 GLN HA 3.000 . 3.500 2.786 2.773 2.805 . 0 0 "[ . 1]" 1
176 1 10 GLN H 1 10 GLN QB 3.000 . 3.500 2.271 2.258 2.286 . 0 0 "[ . 1]" 1
177 1 10 GLN H 1 10 GLN QE 4.000 . 4.500 4.500 4.370 4.567 0.067 10 0 "[ . 1]" 1
178 1 10 GLN H 1 10 GLN QG 4.000 . 4.500 3.998 3.961 4.068 . 0 0 "[ . 1]" 1
179 1 10 GLN HA 1 11 ALA H 4.000 . 4.500 3.509 3.492 3.529 . 0 0 "[ . 1]" 1
180 1 10 GLN QB 1 11 ALA H 4.000 . 4.500 2.635 2.548 2.698 . 0 0 "[ . 1]" 1
181 1 10 GLN QG 1 11 ALA H 4.000 . 4.500 3.699 3.565 3.827 . 0 0 "[ . 1]" 1
182 1 10 GLN HA 1 13 ALA MB 4.000 . 4.500 2.917 2.763 3.049 . 0 0 "[ . 1]" 1
183 1 10 GLN HA 1 13 ALA H 4.000 . 4.500 3.573 3.462 3.663 . 0 0 "[ . 1]" 1
184 1 11 ALA H 1 11 ALA HA 3.000 . 3.500 2.836 2.829 2.841 . 0 0 "[ . 1]" 1
185 1 11 ALA H 1 11 ALA MB 3.000 . 3.500 2.226 2.212 2.239 . 0 0 "[ . 1]" 1
186 1 11 ALA HA 1 12 TYR H 4.000 . 4.500 3.541 3.533 3.554 . 0 0 "[ . 1]" 1
187 1 11 ALA MB 1 12 TYR H 3.000 . 3.500 2.550 2.463 2.624 . 0 0 "[ . 1]" 1
188 1 11 ALA H 1 12 TYR QB 5.000 . 5.500 4.370 4.339 4.408 . 0 0 "[ . 1]" 1
189 1 12 TYR H 1 12 TYR HA 3.000 . 3.500 2.818 2.812 2.827 . 0 0 "[ . 1]" 1
190 1 12 TYR H 1 12 TYR QB 3.000 . 3.500 2.250 2.230 2.258 . 0 0 "[ . 1]" 1
191 1 12 TYR HA 1 13 ALA H 4.000 . 4.500 3.561 3.551 3.568 . 0 0 "[ . 1]" 1
192 1 12 TYR QB 1 13 ALA H 3.000 . 3.500 2.396 2.275 2.470 . 0 0 "[ . 1]" 1
193 1 12 TYR HA 1 15 GLN H 4.000 . 4.500 3.459 3.221 3.589 . 0 0 "[ . 1]" 1
194 1 13 ALA HA 1 14 LEU H 4.000 . 5.000 3.522 3.497 3.561 . 0 0 "[ . 1]" 1
195 1 13 ALA MB 1 14 LEU H 4.000 . 5.000 2.628 2.488 2.688 . 0 0 "[ . 1]" 1
196 1 13 ALA HA 1 16 HIS H 4.000 . 5.000 3.443 3.128 3.685 . 0 0 "[ . 1]" 1
197 1 13 ALA H 1 42 PHE HE2 4.000 . 5.000 5.055 5.034 5.078 0.078 6 0 "[ . 1]" 1
198 1 14 LEU H 1 14 LEU HA 3.000 . 3.500 2.818 2.806 2.844 . 0 0 "[ . 1]" 1
199 1 14 LEU H 1 14 LEU QB 3.000 . 3.500 2.257 2.203 2.276 . 0 0 "[ . 1]" 1
200 1 14 LEU H 1 14 LEU MD1 4.000 . 5.000 3.989 3.819 4.051 . 0 0 "[ . 1]" 1
201 1 14 LEU H 1 14 LEU MD2 4.000 . 5.000 4.311 4.292 4.379 . 0 0 "[ . 1]" 1
202 1 14 LEU H 1 14 LEU HG 4.000 . 5.000 4.457 4.437 4.472 . 0 0 "[ . 1]" 1
203 1 14 LEU QB 1 15 GLN H 4.000 . 4.500 2.507 2.419 2.758 . 0 0 "[ . 1]" 1
204 1 14 LEU HA 1 16 HIS H 4.000 . 5.000 4.532 4.224 4.841 . 0 0 "[ . 1]" 1
205 1 14 LEU HA 1 17 ASN H 4.000 . 5.000 3.514 3.114 3.693 . 0 0 "[ . 1]" 1
206 1 14 LEU HA 1 18 LEU H 4.000 . 5.000 4.151 2.862 5.004 0.004 2 0 "[ . 1]" 1
207 1 14 LEU MD2 1 15 GLN H 4.000 . 4.500 4.186 4.095 4.437 . 0 0 "[ . 1]" 1
208 1 15 GLN H 1 15 GLN HA 3.000 . 3.500 2.850 2.773 2.896 . 0 0 "[ . 1]" 1
209 1 15 GLN H 1 15 GLN QB 3.000 . 3.500 2.258 2.212 2.288 . 0 0 "[ . 1]" 1
210 1 15 GLN H 1 15 GLN QG 4.000 . 5.000 3.864 2.738 4.062 . 0 0 "[ . 1]" 1
211 1 15 GLN HA 1 16 HIS H 4.000 . 4.500 3.533 3.474 3.576 . 0 0 "[ . 1]" 1
212 1 15 GLN QB 1 16 HIS H 4.000 . 5.000 2.660 2.355 3.481 . 0 0 "[ . 1]" 1
213 1 15 GLN QG 1 16 HIS H 4.000 . 5.000 3.569 2.220 4.111 . 0 0 "[ . 1]" 1
214 1 16 HIS HA 1 17 ASN H 4.000 . 5.000 3.347 3.252 3.419 . 0 0 "[ . 1]" 1
215 1 16 HIS QB 1 17 ASN H 4.000 . 5.000 3.255 3.114 3.439 . 0 0 "[ . 1]" 1
216 1 17 ASN HA 1 18 LEU H 4.000 . 5.000 2.488 2.405 2.589 . 0 0 "[ . 1]" 1
217 1 17 ASN H 1 18 LEU MD2 4.000 . 5.000 4.447 2.890 5.047 0.047 3 0 "[ . 1]" 1
218 1 18 LEU H 1 18 LEU MD1 4.000 . 5.000 3.848 2.544 4.329 . 0 0 "[ . 1]" 1
219 1 18 LEU H 1 18 LEU MD2 4.000 . 5.000 3.256 1.757 4.071 0.043 2 0 "[ . 1]" 1
220 1 18 LEU H 1 18 LEU HG 4.000 . 5.000 3.047 2.084 4.350 . 0 0 "[ . 1]" 1
221 1 18 LEU HA 1 19 GLU H 4.000 . 5.000 2.420 2.242 2.714 . 0 0 "[ . 1]" 1
222 1 18 LEU QB 1 19 GLU H 4.000 . 5.000 2.436 1.788 2.760 0.012 5 0 "[ . 1]" 1
223 1 18 LEU MD1 1 19 GLU H 4.000 . 5.000 4.211 3.099 4.731 . 0 0 "[ . 1]" 1
224 1 18 LEU MD2 1 19 GLU H 4.000 . 5.000 3.608 3.318 4.413 . 0 0 "[ . 1]" 1
225 1 18 LEU HG 1 19 GLU H 4.000 . 5.000 4.160 2.538 4.932 . 0 0 "[ . 1]" 1
226 1 19 GLU H 1 19 GLU QG 4.000 . 5.000 2.863 1.771 4.073 0.029 3 0 "[ . 1]" 1
227 1 19 GLU HA 1 20 LEU H 4.000 . 5.000 2.156 2.129 2.191 . 0 0 "[ . 1]" 1
228 1 19 GLU QB 1 20 LEU H 4.000 . 5.000 3.351 2.991 3.766 . 0 0 "[ . 1]" 1
229 1 19 GLU QG 1 20 LEU H 4.000 . 5.000 3.503 2.460 4.519 . 0 0 "[ . 1]" 1
230 1 20 LEU H 1 20 LEU MD2 4.000 . 5.000 2.895 1.776 4.385 0.024 3 0 "[ . 1]" 1
231 1 21 PRO HA 1 22 VAL H 3.000 . 3.500 2.248 2.205 2.284 . 0 0 "[ . 1]" 1
232 1 22 VAL H 1 22 VAL HB 3.000 . 3.500 2.709 2.644 2.866 . 0 0 "[ . 1]" 1
233 1 22 VAL H 1 22 VAL MG1 4.000 . 5.000 3.852 3.822 3.915 . 0 0 "[ . 1]" 1
234 1 22 VAL H 1 22 VAL MG2 4.000 . 4.500 3.049 2.991 3.175 . 0 0 "[ . 1]" 1
235 1 22 VAL HA 1 23 TYR H 4.000 . 5.000 2.153 2.129 2.175 . 0 0 "[ . 1]" 1
236 1 22 VAL H 1 40 VAL HA 5.000 . 5.500 4.932 4.803 5.040 . 0 0 "[ . 1]" 1
237 1 22 VAL H 1 40 VAL MG2 4.000 . 4.500 3.772 3.644 3.854 . 0 0 "[ . 1]" 1
238 1 22 VAL H 1 41 THR HB 3.000 . 3.500 3.343 2.884 3.469 . 0 0 "[ . 1]" 1
239 1 22 VAL H 1 41 THR MG 5.000 . 5.500 4.090 3.952 4.177 . 0 0 "[ . 1]" 1
240 1 22 VAL H 1 42 PHE HA 4.000 . 4.500 4.180 4.087 4.402 . 0 0 "[ . 1]" 1
241 1 22 VAL H 1 42 PHE HD1 4.000 . 5.000 3.544 3.473 3.859 . 0 0 "[ . 1]" 1
242 1 22 VAL H 1 42 PHE HE1 4.000 . 5.000 5.089 5.068 5.122 0.122 2 0 "[ . 1]" 1
243 1 23 TYR H 1 23 TYR HD1 4.000 . 5.000 2.329 2.249 2.407 . 0 0 "[ . 1]" 1
244 1 23 TYR H 1 23 TYR HD2 4.000 . 5.000 5.171 5.124 5.203 0.203 2 0 "[ . 1]" 1
245 1 23 TYR H 1 23 TYR HE1 4.000 . 5.000 4.710 4.624 4.784 . 0 0 "[ . 1]" 1
246 1 23 TYR HA 1 24 ALA H 3.000 . 3.500 2.269 2.245 2.292 . 0 0 "[ . 1]" 1
247 1 23 TYR QB 1 24 ALA H 4.000 . 4.500 2.629 2.599 2.656 . 0 0 "[ . 1]" 1
248 1 23 TYR HD2 1 24 ALA H 4.000 . 5.000 3.927 3.884 3.977 . 0 0 "[ . 1]" 1
249 1 23 TYR HA 1 41 THR H 3.000 . 3.500 3.063 2.982 3.137 . 0 0 "[ . 1]" 1
250 1 23 TYR HE2 1 64 ALA H 4.000 . 5.000 3.157 3.042 3.312 . 0 0 "[ . 1]" 1
251 1 24 ALA H 1 24 ALA MB 3.000 . 3.500 2.425 2.311 2.506 . 0 0 "[ . 1]" 1
252 1 24 ALA HA 1 25 ASN H 3.000 . 3.500 2.174 2.126 2.249 . 0 0 "[ . 1]" 1
253 1 24 ALA MB 1 25 ASN H 4.000 . 4.500 3.106 2.853 3.319 . 0 0 "[ . 1]" 1
254 1 24 ALA H 1 38 CYS HA 5.000 . 5.500 4.363 4.222 4.581 . 0 0 "[ . 1]" 1
255 1 24 ALA H 1 38 CYS QB 5.000 . 5.500 4.550 3.622 4.990 . 0 0 "[ . 1]" 1
256 1 24 ALA MB 1 39 ASN H 4.000 . 5.000 2.433 1.966 2.809 . 0 0 "[ . 1]" 1
257 1 24 ALA H 1 39 ASN QB 4.000 . 4.500 3.668 3.543 3.862 . 0 0 "[ . 1]" 1
258 1 24 ALA H 1 40 VAL HA 4.000 . 4.500 3.506 3.434 3.571 . 0 0 "[ . 1]" 1
259 1 25 ASN H 1 25 ASN HA 3.000 . 3.500 2.969 2.959 2.975 . 0 0 "[ . 1]" 1
260 1 25 ASN H 1 25 ASN QB 3.000 . 3.500 2.673 2.420 2.969 . 0 0 "[ . 1]" 1
261 1 25 ASN H 1 25 ASN HD21 4.000 . 4.500 3.664 3.328 3.957 . 0 0 "[ . 1]" 1
262 1 25 ASN H 1 25 ASN HD22 4.000 . 4.500 4.120 3.469 4.502 0.002 2 0 "[ . 1]" 1
263 1 25 ASN HA 1 26 GLU H 3.000 . 3.500 2.151 2.118 2.193 . 0 0 "[ . 1]" 1
264 1 25 ASN QB 1 26 GLU H 4.000 . 4.500 3.137 2.967 3.275 . 0 0 "[ . 1]" 1
265 1 25 ASN HA 1 39 ASN H 4.000 . 4.500 4.170 3.825 4.368 . 0 0 "[ . 1]" 1
266 1 26 GLU H 1 26 GLU QB 3.000 . 3.500 2.685 2.580 2.757 . 0 0 "[ . 1]" 1
267 1 26 GLU H 1 26 GLU QG 3.000 . 3.500 3.183 2.882 3.744 0.244 8 0 "[ . 1]" 1
268 1 26 GLU HA 1 27 ARG H 3.000 . 3.500 2.194 2.157 2.245 . 0 0 "[ . 1]" 1
269 1 26 GLU QB 1 27 ARG H 4.000 . 4.500 3.234 2.914 3.637 . 0 0 "[ . 1]" 1
270 1 26 GLU QG 1 27 ARG H 4.000 . 4.500 3.712 2.169 4.567 0.067 4 0 "[ . 1]" 1
271 1 26 GLU H 1 36 PHE HA 4.000 . 4.500 4.496 4.444 4.531 0.031 3 0 "[ . 1]" 1
272 1 27 ARG HA 1 28 GLU H 4.000 . 5.000 2.158 2.132 2.175 . 0 0 "[ . 1]" 1
273 1 27 ARG QB 1 28 GLU H 4.000 . 5.000 3.846 3.823 3.874 . 0 0 "[ . 1]" 1
274 1 27 ARG QD 1 28 GLU H 4.000 . 5.000 4.888 4.820 4.964 . 0 0 "[ . 1]" 1
275 1 27 ARG QG 1 28 GLU H 3.000 . 3.500 2.872 2.819 2.936 . 0 0 "[ . 1]" 1
276 1 27 ARG H 1 28 GLU HA 4.000 . 5.000 5.063 5.034 5.088 0.088 10 0 "[ . 1]" 1
277 1 27 ARG HA 1 35 ARG H 4.000 . 5.000 4.472 4.379 4.562 . 0 0 "[ . 1]" 1
278 1 27 ARG QG 1 35 ARG H 5.000 . 5.500 3.841 3.732 3.920 . 0 0 "[ . 1]" 1
279 1 27 ARG HA 1 37 ARG H 4.000 . 5.000 3.710 3.604 3.760 . 0 0 "[ . 1]" 1
280 1 28 GLU H 1 28 GLU QG 4.000 . 5.000 4.044 2.423 4.386 . 0 0 "[ . 1]" 1
281 1 28 GLU HA 1 29 GLY H 4.000 . 5.000 2.186 2.168 2.192 . 0 0 "[ . 1]" 1
282 1 28 GLU QB 1 29 GLY H 4.000 . 5.000 3.629 3.045 3.728 . 0 0 "[ . 1]" 1
283 1 28 GLU QG 1 29 GLY H 4.000 . 5.000 2.782 2.528 3.931 . 0 0 "[ . 1]" 1
284 1 28 GLU HA 1 35 ARG H 4.000 . 5.000 4.751 4.721 4.785 . 0 0 "[ . 1]" 1
285 1 28 GLU H 1 35 ARG HA 4.000 . 5.000 5.090 5.058 5.117 0.117 6 0 "[ . 1]" 1
286 1 31 PRO HA 1 33 ALA H 4.000 . 5.000 3.862 3.829 3.914 . 0 0 "[ . 1]" 1
287 1 32 HIS HA 1 33 ALA H 4.000 . 5.000 3.226 3.184 3.266 . 0 0 "[ . 1]" 1
288 1 32 HIS QB 1 33 ALA H 4.000 . 5.000 3.552 3.351 3.924 . 0 0 "[ . 1]" 1
289 1 34 PRO HA 1 35 ARG H 4.000 . 5.000 2.240 2.229 2.249 . 0 0 "[ . 1]" 1
290 1 35 ARG HA 1 36 PHE H 3.000 . 3.500 2.167 2.149 2.200 . 0 0 "[ . 1]" 1
291 1 36 PHE H 1 36 PHE HA 3.000 . 3.500 2.981 2.966 2.992 . 0 0 "[ . 1]" 1
292 1 36 PHE H 1 36 PHE QB 3.000 . 3.500 2.516 2.489 2.541 . 0 0 "[ . 1]" 1
293 1 36 PHE H 1 36 PHE HD2 3.000 . 3.500 2.637 2.586 2.657 . 0 0 "[ . 1]" 1
294 1 36 PHE H 1 36 PHE HE2 4.000 . 4.500 4.668 4.637 4.708 0.208 6 0 "[ . 1]" 1
295 1 36 PHE HA 1 37 ARG H 3.000 . 3.500 2.194 2.174 2.217 . 0 0 "[ . 1]" 1
296 1 36 PHE QB 1 37 ARG H 4.000 . 5.000 3.622 3.606 3.648 . 0 0 "[ . 1]" 1
297 1 36 PHE HD1 1 37 ARG H 4.000 . 4.500 4.662 4.635 4.703 0.203 6 0 "[ . 1]" 1
298 1 36 PHE H 1 52 PHE HA 4.000 . 5.000 4.778 4.585 4.995 . 0 0 "[ . 1]" 1
299 1 36 PHE HD2 1 56 LEU H 4.000 . 4.500 4.369 4.290 4.421 . 0 0 "[ . 1]" 1
300 1 36 PHE HD1 1 56 LEU H 4.000 . 5.000 4.756 4.650 4.876 . 0 0 "[ . 1]" 1
301 1 36 PHE HE2 1 56 LEU H 4.000 . 4.500 4.522 4.502 4.530 0.030 8 0 "[ . 1]" 1
302 1 36 PHE HE1 1 56 LEU H 4.000 . 5.000 4.867 4.732 5.003 0.003 6 0 "[ . 1]" 1
303 1 37 ARG H 1 37 ARG QB 3.000 . 3.500 2.418 2.386 2.455 . 0 0 "[ . 1]" 1
304 1 37 ARG H 1 37 ARG QD 5.000 3.800 5.500 4.157 3.886 4.535 . 0 0 "[ . 1]" 1
305 1 37 ARG H 1 37 ARG QG 3.000 . 3.500 2.658 2.521 2.752 . 0 0 "[ . 1]" 1
306 1 24 ALA HA 1 38 CYS HA 5.000 . 5.500 5.298 5.163 5.416 . 0 0 "[ . 1]" 1
307 1 38 CYS H 1 59 ALA MB 4.000 . 4.500 2.128 1.950 2.203 . 0 0 "[ . 1]" 1
308 1 39 ASN HA 1 40 VAL H 4.000 . 5.000 2.347 2.323 2.358 . 0 0 "[ . 1]" 1
309 1 39 ASN QB 1 40 VAL H 4.000 . 5.000 2.862 2.495 3.422 . 0 0 "[ . 1]" 1
310 1 40 VAL H 1 40 VAL HB 4.000 . 5.000 3.174 3.133 3.203 . 0 0 "[ . 1]" 1
311 1 40 VAL H 1 40 VAL MG1 4.000 . 5.000 1.856 1.824 1.899 . 0 0 "[ . 1]" 1
312 1 40 VAL H 1 40 VAL MG2 4.000 . 5.000 3.825 3.804 3.849 . 0 0 "[ . 1]" 1
313 1 40 VAL HA 1 41 THR H 3.000 . 3.500 2.118 2.107 2.130 . 0 0 "[ . 1]" 1
314 1 40 VAL HB 1 41 THR H 4.000 . 4.500 4.264 4.227 4.311 . 0 0 "[ . 1]" 1
315 1 40 VAL MG1 1 41 THR H 4.000 . 5.000 4.097 4.062 4.144 . 0 0 "[ . 1]" 1
316 1 40 VAL MG2 1 41 THR H 4.000 . 5.000 2.785 2.699 2.862 . 0 0 "[ . 1]" 1
317 1 40 VAL H 1 63 ALA MB 4.000 . 5.000 3.189 2.886 3.385 . 0 0 "[ . 1]" 1
318 1 41 THR H 1 41 THR HA 3.000 . 3.500 2.956 2.941 2.971 . 0 0 "[ . 1]" 1
319 1 41 THR H 1 41 THR MG 4.000 . 4.500 3.791 3.766 3.809 . 0 0 "[ . 1]" 1
320 1 41 THR HA 1 42 PHE H 3.000 . 3.500 2.149 2.143 2.157 . 0 0 "[ . 1]" 1
321 1 41 THR HB 1 42 PHE H 4.000 . 5.000 4.283 4.260 4.348 . 0 0 "[ . 1]" 1
322 1 41 THR MG 1 42 PHE H 4.000 . 5.000 2.749 2.589 2.872 . 0 0 "[ . 1]" 1
323 1 41 THR MG 1 44 GLY H 4.000 . 5.000 3.155 2.984 3.310 . 0 0 "[ . 1]" 1
324 1 41 THR MG 1 45 GLN H 4.000 . 5.000 3.042 2.924 3.182 . 0 0 "[ . 1]" 1
325 1 13 ALA H 1 42 PHE HE1 4.000 . 5.000 4.685 4.396 4.982 . 0 0 "[ . 1]" 1
326 1 42 PHE QB 1 43 CYS H 4.000 . 5.000 3.619 3.576 3.660 . 0 0 "[ . 1]" 1
327 1 42 PHE HD1 1 43 CYS H 4.000 . 5.000 3.832 3.738 4.272 . 0 0 "[ . 1]" 1
328 1 42 PHE HD2 1 43 CYS H 4.000 . 5.000 4.181 4.090 4.290 . 0 0 "[ . 1]" 1
329 1 43 CYS HA 1 44 GLY H 4.000 . 5.000 2.867 2.807 2.942 . 0 0 "[ . 1]" 1
330 1 43 CYS HA 1 45 GLN H 4.000 . 5.000 4.645 4.540 4.751 . 0 0 "[ . 1]" 1
331 1 44 GLY QA 1 45 GLN H 4.000 . 5.000 2.788 2.775 2.807 . 0 0 "[ . 1]" 1
332 1 48 GLN H 1 66 ILE HB 4.000 . 5.000 5.069 5.039 5.092 0.092 6 0 "[ . 1]" 1
333 1 48 GLN H 1 66 ILE MD 4.000 . 4.500 3.611 3.473 3.786 . 0 0 "[ . 1]" 1
334 1 51 GLU H 1 51 GLU QG 4.000 . 5.000 3.301 2.023 4.082 . 0 0 "[ . 1]" 1
335 1 52 PHE H 1 52 PHE HD1 4.000 . 5.000 2.216 1.802 2.454 . 0 0 "[ . 1]" 1
336 1 52 PHE H 1 52 PHE HD2 4.000 . 5.000 3.749 3.555 4.079 . 0 0 "[ . 1]" 1
337 1 52 PHE H 1 52 PHE HE1 4.000 . 5.000 3.521 3.397 3.698 . 0 0 "[ . 1]" 1
338 1 52 PHE H 1 52 PHE HE2 4.000 . 5.000 4.639 4.430 5.044 0.044 4 0 "[ . 1]" 1
339 1 52 PHE HD1 1 53 PHE H 4.000 . 5.000 5.253 5.174 5.310 0.310 1 0 "[ . 1]" 1
340 1 52 PHE HD2 1 53 PHE H 4.000 . 5.000 5.135 5.077 5.174 0.174 6 0 "[ . 1]" 1
341 1 53 PHE H 1 53 PHE HD1 4.000 . 5.000 1.993 1.796 2.135 0.004 2 0 "[ . 1]" 1
342 1 53 PHE H 1 53 PHE HD2 4.000 . 5.000 4.274 4.225 4.337 . 0 0 "[ . 1]" 1
343 1 53 PHE H 1 53 PHE HE1 4.000 . 5.000 3.650 3.522 3.755 . 0 0 "[ . 1]" 1
344 1 53 PHE H 1 53 PHE HE2 4.000 . 5.000 5.219 5.188 5.286 0.286 6 0 "[ . 1]" 1
345 1 54 PRO QG 1 55 THR H 4.000 . 5.000 3.154 3.102 3.192 . 0 0 "[ . 1]" 1
346 1 55 THR H 1 55 THR MG 4.000 . 5.000 3.617 3.299 3.950 . 0 0 "[ . 1]" 1
347 1 55 THR MG 1 57 LYS H 4.000 . 5.000 3.663 2.349 4.777 . 0 0 "[ . 1]" 1
348 1 56 LEU H 1 56 LEU MD1 4.000 . 5.000 4.180 4.045 4.259 . 0 0 "[ . 1]" 1
349 1 56 LEU H 1 56 LEU MD2 4.000 . 5.000 4.214 4.195 4.246 . 0 0 "[ . 1]" 1
350 1 56 LEU MD1 1 57 LYS H 4.000 . 5.000 4.117 4.016 4.256 . 0 0 "[ . 1]" 1
351 1 56 LEU MD2 1 57 LYS H 4.000 . 5.000 3.402 3.222 3.684 . 0 0 "[ . 1]" 1
352 1 57 LYS HA 1 60 GLU H 4.000 . 5.000 3.224 3.179 3.303 . 0 0 "[ . 1]" 1
353 1 58 SER HA 1 61 HIS H 4.000 . 5.000 3.648 3.560 3.752 . 0 0 "[ . 1]" 1
354 1 59 ALA HA 1 60 GLU H 4.000 . 5.000 3.554 3.539 3.563 . 0 0 "[ . 1]" 1
355 1 59 ALA MB 1 60 GLU H 4.000 . 5.000 2.351 2.168 2.450 . 0 0 "[ . 1]" 1
356 1 59 ALA HA 1 62 ALA H 4.000 . 5.000 3.536 3.443 3.625 . 0 0 "[ . 1]" 1
357 1 60 GLU QB 1 61 HIS H 4.000 . 5.000 2.572 2.491 2.621 . 0 0 "[ . 1]" 1
358 1 60 GLU HA 1 63 ALA H 4.000 . 5.000 3.590 3.491 3.682 . 0 0 "[ . 1]" 1
359 1 61 HIS QB 1 62 ALA H 4.000 . 5.000 2.794 2.407 3.127 . 0 0 "[ . 1]" 1
360 1 61 HIS HA 1 64 ALA H 4.000 . 5.000 3.865 3.735 3.944 . 0 0 "[ . 1]" 1
361 1 62 ALA HA 1 63 ALA H 4.000 . 5.000 3.537 3.525 3.553 . 0 0 "[ . 1]" 1
362 1 62 ALA MB 1 63 ALA H 4.000 . 5.000 2.557 2.414 2.631 . 0 0 "[ . 1]" 1
363 1 62 ALA HA 1 65 LYS H 4.000 . 5.000 3.465 3.428 3.511 . 0 0 "[ . 1]" 1
364 1 63 ALA HA 1 66 ILE H 4.000 . 5.000 3.681 3.549 3.767 . 0 0 "[ . 1]" 1
365 1 64 ALA HA 1 67 ALA H 4.000 . 5.000 3.217 3.032 3.416 . 0 0 "[ . 1]" 1
366 1 65 LYS HA 1 66 ILE H 4.000 . 5.000 3.578 3.541 3.618 . 0 0 "[ . 1]" 1
367 1 65 LYS HA 1 68 VAL H 4.000 . 5.000 3.664 3.470 3.834 . 0 0 "[ . 1]" 1
368 1 66 ILE H 1 66 ILE HA 3.000 . 3.500 2.835 2.796 2.876 . 0 0 "[ . 1]" 1
369 1 66 ILE H 1 66 ILE HB 3.000 . 3.500 2.406 2.378 2.600 . 0 0 "[ . 1]" 1
370 1 66 ILE H 1 66 ILE MD 4.000 . 4.500 3.379 3.310 3.433 . 0 0 "[ . 1]" 1
371 1 66 ILE H 1 66 ILE QG 4.000 . 4.500 2.221 1.809 2.338 . 0 0 "[ . 1]" 1
372 1 66 ILE H 1 66 ILE MG 4.000 . 4.500 3.715 3.693 3.725 . 0 0 "[ . 1]" 1
373 1 66 ILE HB 1 67 ALA H 4.000 . 4.500 2.673 2.511 2.827 . 0 0 "[ . 1]" 1
374 1 66 ILE MG 1 67 ALA H 4.000 . 4.500 3.365 3.242 3.535 . 0 0 "[ . 1]" 1
375 1 66 ILE HA 1 69 ALA H 4.000 . 4.500 3.779 3.652 3.922 . 0 0 "[ . 1]" 1
376 1 67 ALA HA 1 68 VAL H 4.000 . 5.000 3.554 3.541 3.564 . 0 0 "[ . 1]" 1
377 1 67 ALA MB 1 68 VAL H 4.000 . 5.000 2.341 2.244 2.412 . 0 0 "[ . 1]" 1
378 1 67 ALA HA 1 70 SER H 4.000 . 5.000 3.329 3.217 3.454 . 0 0 "[ . 1]" 1
379 1 68 VAL H 1 68 VAL HB 4.000 . 5.000 2.412 2.286 2.565 . 0 0 "[ . 1]" 1
380 1 68 VAL HA 1 69 ALA H 4.000 . 5.000 3.538 3.496 3.568 . 0 0 "[ . 1]" 1
381 1 68 VAL HB 1 69 ALA H 4.000 . 5.000 3.449 2.665 4.038 . 0 0 "[ . 1]" 1
382 1 68 VAL HA 1 71 LEU H 3.000 . 3.500 3.432 3.323 3.527 0.027 5 0 "[ . 1]" 1
383 1 69 ALA HA 1 70 SER H 4.000 . 5.000 3.439 3.430 3.455 . 0 0 "[ . 1]" 1
384 1 69 ALA MB 1 70 SER H 4.000 . 5.000 2.996 2.902 3.048 . 0 0 "[ . 1]" 1
385 1 69 ALA HA 1 72 THR H 4.000 . 4.500 3.516 3.374 3.641 . 0 0 "[ . 1]" 1
386 1 70 SER H 1 70 SER QB 3.000 . 3.500 2.378 2.264 2.671 . 0 0 "[ . 1]" 1
387 1 70 SER HA 1 71 LEU H 4.000 . 4.500 3.516 3.475 3.565 . 0 0 "[ . 1]" 1
388 1 70 SER QB 1 71 LEU H . . 3.500 2.899 2.480 3.542 0.042 1 0 "[ . 1]" 1
389 1 71 LEU H 1 71 LEU HA 3.000 . 3.500 2.859 2.838 2.898 . 0 0 "[ . 1]" 1
390 1 71 LEU H 1 71 LEU QB 3.000 . 3.500 2.446 2.330 2.546 . 0 0 "[ . 1]" 1
391 1 71 LEU H 1 71 LEU MD1 4.000 . 4.500 3.529 3.497 3.574 . 0 0 "[ . 1]" 1
392 1 71 LEU H 1 71 LEU MD2 4.000 . 4.500 3.306 3.038 3.607 . 0 0 "[ . 1]" 1
393 1 71 LEU H 1 71 LEU HG 3.000 . 3.500 2.153 1.951 2.387 . 0 0 "[ . 1]" 1
394 1 71 LEU HA 1 72 THR H 4.000 . 5.000 3.477 3.458 3.493 . 0 0 "[ . 1]" 1
395 1 71 LEU QB 1 72 THR H 4.000 . 4.500 2.778 2.705 2.820 . 0 0 "[ . 1]" 1
396 1 71 LEU MD2 1 72 THR H 4.000 . 4.500 4.629 4.543 4.719 0.219 2 0 "[ . 1]" 1
397 1 71 LEU HG 1 72 THR H 4.000 . 4.500 4.244 4.078 4.456 . 0 0 "[ . 1]" 1
398 1 72 THR H 1 72 THR HA 3.000 . 3.500 2.667 2.300 2.949 . 0 0 "[ . 1]" 1
399 1 72 THR H 1 72 THR MG 4.000 . 4.500 2.898 2.017 3.947 . 0 0 "[ . 1]" 1
400 1 77 GLU HA 1 78 GLY H 4.000 . 5.000 2.908 2.138 3.550 . 0 0 "[ . 1]" 1
401 1 79 ILE H 1 79 ILE HB 4.000 . 5.000 3.098 2.428 3.581 . 0 0 "[ . 1]" 1
402 1 79 ILE H 1 79 ILE MD 4.000 . 5.000 3.636 1.795 4.933 0.005 6 0 "[ . 1]" 1
403 1 79 ILE H 1 79 ILE MG 4.000 . 5.000 2.867 1.970 3.837 . 0 0 "[ . 1]" 1
404 1 79 ILE HA 1 80 ASP H 4.000 . 5.000 2.910 2.206 3.571 . 0 0 "[ . 1]" 1
405 1 79 ILE HB 1 80 ASP H 4.000 . 5.000 4.121 2.255 4.664 . 0 0 "[ . 1]" 1
406 1 79 ILE MD 1 80 ASP H 4.000 . 5.000 4.127 2.712 4.965 . 0 0 "[ . 1]" 1
407 1 79 ILE MG 1 80 ASP H 4.000 . 5.000 3.637 2.165 4.387 . 0 0 "[ . 1]" 1
408 1 80 ASP HA 1 81 VAL H 4.000 . 5.000 2.656 2.196 3.551 . 0 0 "[ . 1]" 1
409 1 81 VAL H 1 81 VAL HB 4.000 . 5.000 3.273 2.530 3.921 . 0 0 "[ . 1]" 1
410 1 81 VAL H 1 81 VAL MG1 4.000 . 5.000 3.385 2.148 3.956 . 0 0 "[ . 1]" 1
411 1 81 VAL H 1 81 VAL MG2 4.000 . 5.000 3.073 2.235 4.045 . 0 0 "[ . 1]" 1
412 1 81 VAL HA 1 82 ALA H 4.000 . 5.000 3.473 3.135 3.592 . 0 0 "[ . 1]" 1
413 1 81 VAL HB 1 82 ALA H 4.000 . 5.000 2.924 1.812 4.434 . 0 0 "[ . 1]" 1
414 1 81 VAL MG1 1 82 ALA H 4.000 . 5.000 2.925 1.692 4.312 0.108 8 0 "[ . 1]" 1
415 1 81 VAL MG2 1 82 ALA H 4.000 . 5.000 3.287 1.806 4.179 . 0 0 "[ . 1]" 1
416 1 81 VAL H 1 83 TYR HD1 4.000 . 5.000 4.500 4.065 5.098 0.098 10 0 "[ . 1]" 1
417 1 82 ALA HA 1 83 TYR H 3.000 . 3.500 2.300 2.159 3.219 . 0 0 "[ . 1]" 1
418 1 82 ALA MB 1 83 TYR H 3.000 . 3.500 3.352 1.716 3.593 0.093 9 0 "[ . 1]" 1
419 1 82 ALA H 1 83 TYR HD1 4.000 . 4.500 4.499 4.221 4.565 0.065 7 0 "[ . 1]" 1
420 1 82 ALA HA 1 84 LYS H 4.000 . 5.000 3.288 2.854 4.961 . 0 0 "[ . 1]" 1
421 1 82 ALA HA 1 85 ASN H 4.000 . 4.500 4.613 4.514 4.746 0.246 6 0 "[ . 1]" 1
422 1 83 TYR H 1 83 TYR QB 3.000 . 3.500 2.768 2.384 2.927 . 0 0 "[ . 1]" 1
423 1 83 TYR H 1 83 TYR HD2 4.000 . 4.500 3.664 3.329 4.749 0.249 10 0 "[ . 1]" 1
424 1 83 TYR H 1 83 TYR HD1 3.000 . 3.500 2.576 1.778 3.022 0.022 10 0 "[ . 1]" 1
425 1 83 TYR H 1 83 TYR HE1 4.000 . 4.500 3.959 3.511 4.271 . 0 0 "[ . 1]" 1
426 1 83 TYR QB 1 84 LYS H 3.000 . 3.500 3.156 3.023 3.545 0.045 7 0 "[ . 1]" 1
427 1 84 LYS H 1 84 LYS HA 3.000 . 3.500 2.828 2.793 2.858 . 0 0 "[ . 1]" 1
428 1 84 LYS H 1 84 LYS QB 3.000 . 3.500 2.436 2.060 2.528 . 0 0 "[ . 1]" 1
429 1 84 LYS H 1 84 LYS QD 4.000 . 4.500 3.849 3.778 4.144 . 0 0 "[ . 1]" 1
430 1 84 LYS H 1 84 LYS QG 3.000 . 3.500 2.342 2.123 3.553 0.053 10 0 "[ . 1]" 1
431 1 84 LYS QB 1 85 ASN H 4.000 . 4.500 2.596 2.406 2.861 . 0 0 "[ . 1]" 1
432 1 84 LYS HA 1 87 LEU H 4.000 . 4.500 3.586 3.348 3.940 . 0 0 "[ . 1]" 1
433 1 85 ASN H 1 85 ASN QB 3.000 . 3.500 2.086 2.057 2.146 . 0 0 "[ . 1]" 1
434 1 85 ASN HA 1 88 GLN H 4.000 . 4.500 3.605 3.424 3.880 . 0 0 "[ . 1]" 1
435 1 86 LEU H 1 86 LEU HA 3.000 . 3.500 2.825 2.803 2.844 . 0 0 "[ . 1]" 1
436 1 86 LEU H 1 86 LEU MD1 4.000 . 4.500 3.871 1.880 4.307 . 0 0 "[ . 1]" 1
437 1 86 LEU H 1 86 LEU MD2 4.000 . 4.500 4.181 4.014 4.350 . 0 0 "[ . 1]" 1
438 1 86 LEU HA 1 87 LEU H 4.000 . 4.500 3.547 3.533 3.560 . 0 0 "[ . 1]" 1
439 1 86 LEU HA 1 89 GLU QB 4.000 . 4.500 2.464 2.236 2.796 . 0 0 "[ . 1]" 1
440 1 86 LEU HA 1 89 GLU QG 5.000 . 5.500 3.188 2.412 4.645 . 0 0 "[ . 1]" 1
441 1 86 LEU HA 1 89 GLU H 4.000 . 4.500 3.176 3.000 3.378 . 0 0 "[ . 1]" 1
442 1 86 LEU HA 1 90 ILE H 4.000 . 4.500 4.267 3.889 4.521 0.021 6 0 "[ . 1]" 1
443 1 87 LEU H 1 87 LEU HA 3.000 . 3.500 2.794 2.784 2.815 . 0 0 "[ . 1]" 1
444 1 87 LEU H 1 87 LEU QB 3.000 . 3.500 2.480 2.375 2.601 . 0 0 "[ . 1]" 1
445 1 87 LEU H 1 87 LEU QD 4.000 . 4.500 2.932 2.647 3.108 . 0 0 "[ . 1]" 1
446 1 87 LEU H 1 87 LEU HG 3.000 . 3.500 2.028 1.810 2.251 . 0 0 "[ . 1]" 1
447 1 87 LEU HA 1 88 GLN H 4.000 . 4.500 3.509 3.484 3.535 . 0 0 "[ . 1]" 1
448 1 87 LEU QB 1 88 GLN H 3.000 . 3.500 2.701 2.511 2.825 . 0 0 "[ . 1]" 1
449 1 87 LEU HG 1 88 GLN H 4.000 . 4.500 4.254 4.059 4.470 . 0 0 "[ . 1]" 1
450 1 87 LEU HA 1 90 ILE H 4.000 . 4.500 3.709 3.611 3.903 . 0 0 "[ . 1]" 1
451 1 87 LEU HA 1 91 ALA H 4.000 . 4.500 4.279 4.036 4.505 0.005 10 0 "[ . 1]" 1
452 1 87 LEU QB 1 99 PRO QG 4.000 . 4.000 2.160 2.052 2.223 . 0 0 "[ . 1]" 1
453 1 87 LEU QD 1 145 PHE H . . 4.500 3.949 3.797 4.209 . 0 0 "[ . 1]" 1
454 1 88 GLN H 1 88 GLN QB 3.000 . 3.500 2.372 2.273 2.580 . 0 0 "[ . 1]" 1
455 1 88 GLN H 1 88 GLN QG 3.000 . 3.500 2.316 1.879 2.524 . 0 0 "[ . 1]" 1
456 1 88 GLN HA 1 89 GLU H 4.000 . 5.000 3.498 3.477 3.550 . 0 0 "[ . 1]" 1
457 1 88 GLN HA 1 91 ALA MB 3.000 . 3.500 2.424 2.345 2.556 . 0 0 "[ . 1]" 1
458 1 89 GLU H 1 89 GLU HA 3.000 . 3.500 2.857 2.823 2.887 . 0 0 "[ . 1]" 1
459 1 89 GLU H 1 89 GLU QB 3.000 . 3.500 2.253 2.057 2.399 . 0 0 "[ . 1]" 1
460 1 89 GLU HA 1 89 GLU QG 3.000 . 3.500 2.550 2.309 2.841 . 0 0 "[ . 1]" 1
461 1 89 GLU H 1 89 GLU QG 3.000 . 3.500 2.885 2.223 3.946 0.446 3 0 "[ . 1]" 1
462 1 89 GLU HA 1 92 GLN H 4.000 . 4.500 3.799 3.683 3.900 . 0 0 "[ . 1]" 1
463 1 89 GLU HA 1 93 LYS H 4.000 . 4.500 4.089 3.618 4.487 . 0 0 "[ . 1]" 1
464 1 90 ILE H 1 90 ILE HA 3.000 . 3.500 2.844 2.827 2.857 . 0 0 "[ . 1]" 1
465 1 90 ILE H 1 90 ILE HB 4.000 . 4.500 3.589 3.583 3.595 . 0 0 "[ . 1]" 1
466 1 90 ILE H 1 90 ILE MD 4.000 . 4.500 3.496 3.411 3.602 . 0 0 "[ . 1]" 1
467 1 90 ILE H 1 90 ILE QG 3.000 . 3.500 1.831 1.789 1.918 0.011 4 0 "[ . 1]" 1
468 1 90 ILE H 1 90 ILE MG 3.000 . 3.500 2.236 2.148 2.294 . 0 0 "[ . 1]" 1
469 1 90 ILE HB 1 91 ALA H 4.000 . 4.500 3.662 3.589 3.724 . 0 0 "[ . 1]" 1
470 1 90 ILE MD 1 91 ALA H 4.000 . 4.500 3.581 2.349 3.792 . 0 0 "[ . 1]" 1
471 1 90 ILE QG 1 91 ALA H 3.000 . 3.500 1.950 1.783 2.037 0.017 8 0 "[ . 1]" 1
472 1 90 ILE MG 1 91 ALA H 4.000 . 4.500 3.902 3.832 3.953 . 0 0 "[ . 1]" 1
473 1 90 ILE HA 1 94 GLU H 4.000 . 4.500 3.453 3.175 3.716 . 0 0 "[ . 1]" 1
474 1 91 ALA HA 1 92 GLN H 4.000 . 5.000 3.565 3.557 3.572 . 0 0 "[ . 1]" 1
475 1 91 ALA MB 1 92 GLN H 4.000 . 5.000 2.356 2.300 2.435 . 0 0 "[ . 1]" 1
476 1 91 ALA HA 1 94 GLU H 4.000 . 4.500 3.913 3.743 4.096 . 0 0 "[ . 1]" 1
477 1 91 ALA MB 1 98 LEU H 3.000 . 3.500 3.566 3.529 3.632 0.132 8 0 "[ . 1]" 1
478 1 92 GLN HA 1 96 SER H 4.000 . 4.500 4.442 4.114 4.529 0.029 2 0 "[ . 1]" 1
479 1 93 LYS HA 1 94 GLU H 4.000 . 5.000 3.558 3.536 3.568 . 0 0 "[ . 1]" 1
480 1 94 GLU H 1 94 GLU HA 3.000 . 3.500 2.891 2.869 2.924 . 0 0 "[ . 1]" 1
481 1 94 GLU H 1 94 GLU QB 3.000 . 3.500 2.384 2.355 2.417 . 0 0 "[ . 1]" 1
482 1 94 GLU H 1 94 GLU QG 3.000 . 3.500 2.350 2.242 2.487 . 0 0 "[ . 1]" 1
483 1 95 SER H 1 95 SER HA 3.000 . 3.500 2.303 2.295 2.321 . 0 0 "[ . 1]" 1
484 1 95 SER H 1 95 SER QB 3.000 . 3.500 3.160 2.923 3.452 . 0 0 "[ . 1]" 1
485 1 97 LEU H 1 97 LEU MD1 4.000 . 5.000 3.832 1.920 4.907 . 0 0 "[ . 1]" 1
486 1 97 LEU H 1 97 LEU MD2 4.000 . 5.000 3.584 2.592 4.675 . 0 0 "[ . 1]" 1
487 1 99 PRO HA 1 100 PHE H 3.000 . 3.500 2.466 2.261 2.514 . 0 0 "[ . 1]" 1
488 1 100 PHE H 1 100 PHE HA 3.000 . 3.500 2.958 2.946 2.972 . 0 0 "[ . 1]" 1
489 1 100 PHE HA 1 101 TYR H 3.000 . 3.500 2.160 2.123 2.191 . 0 0 "[ . 1]" 1
490 1 100 PHE H 1 101 TYR HA 4.000 . 4.500 4.566 4.521 4.730 0.230 3 0 "[ . 1]" 1
491 1 100 PHE H 1 118 VAL HA 4.000 . 4.500 3.758 3.317 4.445 . 0 0 "[ . 1]" 1
492 1 100 PHE H 1 118 VAL QG 4.000 . 4.500 2.753 2.435 3.483 . 0 0 "[ . 1]" 1
493 1 100 PHE QB 1 119 GLU H 4.000 . 4.500 3.001 2.613 3.708 . 0 0 "[ . 1]" 1
494 1 100 PHE H 1 119 GLU QB 4.000 . 4.500 3.457 3.132 3.672 . 0 0 "[ . 1]" 1
495 1 100 PHE H 1 120 PHE HA 4.000 . 4.500 4.529 4.425 4.633 0.133 10 0 "[ . 1]" 1
496 1 101 TYR H 1 101 TYR QD 3.000 . 3.500 2.472 2.097 2.744 . 0 0 "[ . 1]" 1
497 1 101 TYR HA 1 102 ALA H 3.000 . 3.500 2.164 2.147 2.243 . 0 0 "[ . 1]" 1
498 1 101 TYR QB 1 102 ALA H 3.000 . 3.500 3.238 2.987 3.471 . 0 0 "[ . 1]" 1
499 1 101 TYR QD 1 102 ALA H 4.000 . 4.500 4.197 4.130 4.250 . 0 0 "[ . 1]" 1
500 1 101 TYR HA 1 119 GLU H 4.000 . 4.500 4.333 4.036 4.433 . 0 0 "[ . 1]" 1
501 1 102 ALA MB 1 103 THR H 4.000 . 4.500 3.054 2.894 3.326 . 0 0 "[ . 1]" 1
502 1 102 ALA MB 1 117 THR H 4.000 . 4.500 3.346 3.126 3.613 . 0 0 "[ . 1]" 1
503 1 102 ALA H 1 118 VAL HA 4.000 . 4.500 3.803 3.589 3.988 . 0 0 "[ . 1]" 1
504 1 103 THR H 1 103 THR MG 4.000 . 4.500 3.465 1.933 3.868 . 0 0 "[ . 1]" 1
505 1 103 THR HA 1 104 ALA H 3.000 2.300 3.500 2.164 2.154 2.175 0.146 5 0 "[ . 1]" 1
506 1 103 THR HB 1 104 ALA H 4.000 . 4.500 4.177 3.914 4.349 . 0 0 "[ . 1]" 1
507 1 103 THR MG 1 104 ALA H 4.000 . 4.500 2.970 2.466 4.244 . 0 0 "[ . 1]" 1
508 1 103 THR HA 1 117 THR H 4.000 . 4.500 3.675 3.452 3.846 . 0 0 "[ . 1]" 1
509 1 104 ALA H 1 104 ALA MB 3.000 . 3.500 2.425 2.322 2.524 . 0 0 "[ . 1]" 1
510 1 104 ALA HA 1 105 THR H 3.000 . 3.500 2.216 2.173 2.281 . 0 0 "[ . 1]" 1
511 1 104 ALA MB 1 105 THR H 3.000 . 3.500 2.923 2.712 3.154 . 0 0 "[ . 1]" 1
512 1 104 ALA H 1 114 PHE QB 5.000 . 5.500 4.224 3.967 4.354 . 0 0 "[ . 1]" 1
513 1 104 ALA MB 1 115 THR H 4.000 . 4.500 3.382 2.900 3.678 . 0 0 "[ . 1]" 1
514 1 104 ALA H 1 115 THR HB 4.000 . 4.500 3.613 3.424 3.925 . 0 0 "[ . 1]" 1
515 1 104 ALA H 1 116 SER HA 3.000 . 3.500 3.579 3.538 3.641 0.141 2 0 "[ . 1]" 1
516 1 105 THR H 1 105 THR HB 3.000 . 3.500 3.656 3.621 3.687 0.187 6 0 "[ . 1]" 1
517 1 105 THR H 1 105 THR MG 3.000 . 3.500 2.411 2.311 2.736 . 0 0 "[ . 1]" 1
518 1 105 THR HA 1 106 SER H 3.000 . 3.500 2.166 2.151 2.176 . 0 0 "[ . 1]" 1
519 1 105 THR HB 1 106 SER H 3.000 . 3.500 3.225 3.134 3.331 . 0 0 "[ . 1]" 1
520 1 106 SER HA 1 107 GLY H 3.000 . 3.500 2.397 2.310 2.449 . 0 0 "[ . 1]" 1
521 1 106 SER QB 1 107 GLY H 3.000 . 3.500 2.602 2.358 3.429 . 0 0 "[ . 1]" 1
522 1 107 GLY QA 1 113 THR H 4.000 2.800 4.500 2.702 2.617 2.832 0.183 4 0 "[ . 1]" 1
523 1 108 PRO QB 1 110 HIS H 3.000 . 3.500 2.175 2.149 2.210 . 0 0 "[ . 1]" 1
524 1 108 PRO QG 1 110 HIS H 3.000 . 3.500 3.657 3.622 3.700 0.200 2 0 "[ . 1]" 1
525 1 108 PRO QB 1 111 ALA H 3.000 . 3.500 2.199 2.178 2.230 . 0 0 "[ . 1]" 1
526 1 108 PRO QG 1 111 ALA H 3.000 . 3.500 2.142 2.099 2.225 . 0 0 "[ . 1]" 1
527 1 109 SER H 1 109 SER HA 3.000 . 3.500 2.839 2.828 2.852 . 0 0 "[ . 1]" 1
528 1 109 SER H 1 109 SER QB 3.000 . 3.500 2.475 2.255 2.708 . 0 0 "[ . 1]" 1
529 1 110 HIS H 1 110 HIS HA 3.000 . 3.500 2.929 2.923 2.938 . 0 0 "[ . 1]" 1
530 1 110 HIS HA 1 111 ALA H 3.000 . 3.500 3.539 3.528 3.548 0.048 2 0 "[ . 1]" 1
531 1 111 ALA H 1 111 ALA HA 3.000 . 3.500 2.947 2.941 2.950 . 0 0 "[ . 1]" 1
532 1 111 ALA H 1 111 ALA MB 3.000 . 3.500 2.430 2.402 2.452 . 0 0 "[ . 1]" 1
533 1 113 THR H 1 113 THR MG 3.000 . 3.500 2.500 2.253 3.251 . 0 0 "[ . 1]" 1
534 1 113 THR HA 1 114 PHE H 3.000 . 3.500 2.463 2.260 2.515 . 0 0 "[ . 1]" 1
535 1 113 THR HB 1 129 GLU QB 4.000 . 4.500 3.566 3.274 3.963 . 0 0 "[ . 1]" 1
536 1 113 THR HB 1 130 ALA H 3.500 . 4.000 3.358 2.997 4.052 0.052 7 0 "[ . 1]" 1
537 1 113 THR HA 1 132 THR H 4.000 . 4.500 4.545 4.515 4.568 0.068 9 0 "[ . 1]" 1
538 1 106 SER H 1 114 PHE HA 4.000 . 4.500 3.214 3.082 3.396 . 0 0 "[ . 1]" 1
539 1 114 PHE H 1 114 PHE HA 3.000 . 3.500 2.963 2.953 2.971 . 0 0 "[ . 1]" 1
540 1 114 PHE H 1 114 PHE QB 3.000 . 3.500 2.940 2.908 2.981 . 0 0 "[ . 1]" 1
541 1 114 PHE H 1 114 PHE HD2 3.000 . 3.500 3.102 3.058 3.171 . 0 0 "[ . 1]" 1
542 1 114 PHE H 1 114 PHE HE2 4.000 . 4.500 4.611 4.577 4.648 0.148 6 0 "[ . 1]" 1
543 1 114 PHE HA 1 115 THR H 3.000 . 3.500 2.252 2.222 2.318 . 0 0 "[ . 1]" 1
544 1 114 PHE QB 1 115 THR H 3.000 . 3.500 2.856 2.704 2.919 . 0 0 "[ . 1]" 1
545 1 114 PHE HD1 1 115 THR H 5.000 . 5.500 4.650 4.625 4.748 . 0 0 "[ . 1]" 1
546 1 114 PHE QB 1 130 ALA H 5.000 . 5.500 4.606 4.401 4.882 . 0 0 "[ . 1]" 1
547 1 114 PHE H 1 131 LYS HA 3.000 . 3.500 3.379 3.234 3.513 0.013 6 0 "[ . 1]" 1
548 1 114 PHE HD2 1 132 THR H 3.000 . 3.500 2.625 2.431 2.831 . 0 0 "[ . 1]" 1
549 1 114 PHE HE2 1 132 THR H 3.000 . 3.500 3.513 3.474 3.547 0.047 7 0 "[ . 1]" 1
550 1 114 PHE HD2 1 133 LYS H 4.000 . 4.500 3.701 3.446 4.033 . 0 0 "[ . 1]" 1
551 1 114 PHE HE2 1 133 LYS H 4.000 . 4.500 4.135 3.830 4.455 . 0 0 "[ . 1]" 1
552 1 115 THR H 1 115 THR HB 3.000 . 3.500 2.688 2.602 2.752 . 0 0 "[ . 1]" 1
553 1 115 THR H 1 115 THR MG 4.000 . 5.000 3.867 3.828 3.895 . 0 0 "[ . 1]" 1
554 1 115 THR HA 1 116 SER H 3.000 . 3.500 2.148 2.135 2.160 . 0 0 "[ . 1]" 1
555 1 115 THR HB 1 116 SER H 4.000 . 5.000 4.198 4.131 4.262 . 0 0 "[ . 1]" 1
556 1 115 THR MG 1 116 SER H 4.000 . 4.500 2.650 2.562 2.780 . 0 0 "[ . 1]" 1
557 1 115 THR MG 1 127 GLY H 4.000 . 4.500 3.775 3.346 4.311 . 0 0 "[ . 1]" 1
558 1 115 THR HA 1 130 ALA H 4.000 . 4.500 4.290 4.042 4.519 0.019 1 0 "[ . 1]" 1
559 1 116 SER HA 1 117 THR H 3.000 . 3.500 2.179 2.146 2.212 . 0 0 "[ . 1]" 1
560 1 116 SER H 1 136 ALA MB 4.000 . 4.500 2.308 1.800 2.681 . 0 0 "[ . 1]" 1
561 1 116 SER QB 1 137 GLU H 5.000 . 5.500 3.375 2.895 3.810 . 0 0 "[ . 1]" 1
562 1 117 THR H 1 117 THR HB 3.000 . 3.500 2.723 2.533 3.610 0.110 1 0 "[ . 1]" 1
563 1 117 THR H 1 117 THR MG 4.000 . 4.500 3.781 3.368 3.872 . 0 0 "[ . 1]" 1
564 1 117 THR HA 1 118 VAL H 3.000 . 3.500 2.203 2.144 2.280 . 0 0 "[ . 1]" 1
565 1 117 THR MG 1 118 VAL H 4.000 . 5.000 2.388 2.048 3.378 . 0 0 "[ . 1]" 1
566 1 117 THR HA 1 125 PHE H 5.000 . 5.500 5.101 4.468 5.421 . 0 0 "[ . 1]" 1
567 1 117 THR MG 1 125 PHE H 4.000 . 4.500 3.546 2.386 4.501 0.001 1 0 "[ . 1]" 1
568 1 117 THR HA 1 127 GLY H 3.000 . 3.500 3.378 2.996 3.521 0.021 6 0 "[ . 1]" 1
569 1 118 VAL H 1 118 VAL QG 3.000 . 3.500 1.980 1.869 2.054 . 0 0 "[ . 1]" 1
570 1 118 VAL QG 1 119 GLU H . . 3.500 2.337 2.026 2.828 . 0 0 "[ . 1]" 1
571 1 118 VAL QG 1 125 PHE H 4.000 . 4.500 2.588 2.385 3.324 . 0 0 "[ . 1]" 1
572 1 118 VAL H 1 140 ALA MB 4.000 . 4.500 3.437 2.992 3.701 . 0 0 "[ . 1]" 1
573 1 118 VAL HA 1 119 GLU H 3.000 . 3.500 2.213 2.134 2.289 . 0 0 "[ . 1]" 1
574 1 118 VAL HB 1 119 GLU H 4.000 . 4.500 4.145 3.974 4.417 . 0 0 "[ . 1]" 1
575 1 119 GLU H 1 119 GLU QG 4.000 . 4.500 4.107 4.005 4.272 . 0 0 "[ . 1]" 1
576 1 119 GLU HA 1 120 PHE H 3.000 . 3.500 2.138 2.100 2.175 . 0 0 "[ . 1]" 1
577 1 119 GLU QG 1 120 PHE H 4.000 . 4.500 3.134 2.498 3.785 . 0 0 "[ . 1]" 1
578 1 119 GLU HA 1 123 LYS H 4.000 . 4.500 4.524 4.439 4.616 0.116 6 0 "[ . 1]" 1
579 1 119 GLU QG 1 123 LYS H 4.000 . 4.500 3.751 3.516 4.464 . 0 0 "[ . 1]" 1
580 1 119 GLU HA 1 125 PHE H 4.000 . 5.000 3.546 3.375 3.707 . 0 0 "[ . 1]" 1
581 1 120 PHE H 1 120 PHE HA 3.000 . 3.500 2.939 2.827 2.972 . 0 0 "[ . 1]" 1
582 1 120 PHE H 1 120 PHE QD 4.000 . 4.500 2.729 2.456 3.185 . 0 0 "[ . 1]" 1
583 1 120 PHE HA 1 121 ALA H 4.000 . 5.000 2.317 2.162 2.435 . 0 0 "[ . 1]" 1
584 1 120 PHE QB 1 121 ALA H 4.000 . 5.000 2.791 2.495 3.208 . 0 0 "[ . 1]" 1
585 1 120 PHE H 1 124 VAL HA 3.000 . 3.500 3.559 3.460 3.666 0.166 8 0 "[ . 1]" 1
586 1 120 PHE H 1 125 PHE HD1 4.000 . 5.000 3.677 3.341 4.223 . 0 0 "[ . 1]" 1
587 1 120 PHE H 1 125 PHE HE1 4.000 . 5.000 3.939 3.389 4.672 . 0 0 "[ . 1]" 1
588 1 121 ALA HA 1 122 GLY H 4.000 . 5.000 3.096 3.008 3.144 . 0 0 "[ . 1]" 1
589 1 121 ALA MB 1 122 GLY H 4.000 . 5.000 3.505 3.464 3.568 . 0 0 "[ . 1]" 1
590 1 121 ALA HA 1 123 LYS H 4.000 . 5.000 4.382 4.294 4.480 . 0 0 "[ . 1]" 1
591 1 122 GLY QA 1 123 LYS H 4.000 . 5.000 2.910 2.859 2.952 . 0 0 "[ . 1]" 1
592 1 123 LYS H 1 123 LYS QD 4.000 . 5.000 4.255 4.012 4.908 . 0 0 "[ . 1]" 1
593 1 123 LYS H 1 123 LYS QG 4.000 . 5.000 3.044 2.726 4.046 . 0 0 "[ . 1]" 1
594 1 123 LYS HA 1 124 VAL H 3.000 . 3.500 2.221 2.157 2.299 . 0 0 "[ . 1]" 1
595 1 123 LYS QB 1 124 VAL H 3.000 . 3.500 2.959 2.694 3.408 . 0 0 "[ . 1]" 1
596 1 123 LYS QG 1 124 VAL H 4.000 . 4.500 3.635 1.995 3.927 . 0 0 "[ . 1]" 1
597 1 124 VAL HA 1 124 VAL HB 3.000 . 3.500 2.483 2.418 2.523 . 0 0 "[ . 1]" 1
598 1 124 VAL H 1 124 VAL HB 3.000 . 3.500 2.922 2.727 3.177 . 0 0 "[ . 1]" 1
599 1 124 VAL H 1 124 VAL MG1 4.000 . 4.500 1.909 1.799 1.999 0.001 2 0 "[ . 1]" 1
600 1 124 VAL H 1 124 VAL MG2 4.000 . 4.500 3.825 3.797 3.843 . 0 0 "[ . 1]" 1
601 1 124 VAL MG2 1 125 PHE H 3.000 . 3.500 2.721 1.955 2.891 . 0 0 "[ . 1]" 1
602 1 124 VAL H 1 125 PHE HD1 4.000 . 5.000 4.498 4.233 4.703 . 0 0 "[ . 1]" 1
603 1 125 PHE HA 1 126 SER H 3.000 . 3.500 2.194 2.125 2.277 . 0 0 "[ . 1]" 1
604 1 125 PHE HD2 1 126 SER H 4.000 . 5.000 4.518 3.925 4.907 . 0 0 "[ . 1]" 1
605 1 125 PHE HD2 1 147 SER H 4.000 . 5.000 5.070 5.015 5.131 0.131 6 0 "[ . 1]" 1
606 1 125 PHE HE2 1 147 SER H 4.000 . 5.000 4.722 4.430 5.029 0.029 4 0 "[ . 1]" 1
607 1 125 PHE HE2 1 148 ILE H 4.000 . 5.000 4.925 4.770 5.058 0.058 8 0 "[ . 1]" 1
608 1 126 SER H 1 126 SER HA 3.000 . 3.500 2.928 2.891 2.975 . 0 0 "[ . 1]" 1
609 1 126 SER H 1 143 VAL MG1 4.000 . 4.500 3.830 3.389 4.270 . 0 0 "[ . 1]" 1
610 1 126 SER H 1 143 VAL MG2 4.000 . 4.500 4.268 3.805 4.569 0.069 7 0 "[ . 1]" 1
611 1 127 GLY H 1 140 ALA HA 4.000 . 4.500 3.612 3.333 3.953 . 0 0 "[ . 1]" 1
612 1 127 GLY H 1 140 ALA MB 4.000 . 5.000 3.109 2.820 3.558 . 0 0 "[ . 1]" 1
613 1 128 GLU H 1 128 GLU HA 3.000 . 3.500 2.871 2.810 2.911 . 0 0 "[ . 1]" 1
614 1 128 GLU H 1 128 GLU QB 3.000 . 3.500 2.262 2.184 2.326 . 0 0 "[ . 1]" 1
615 1 128 GLU H 1 128 GLU QG 3.000 . 3.500 3.323 2.463 3.888 0.388 7 0 "[ . 1]" 1
616 1 128 GLU HA 1 129 GLU H 3.000 . 3.500 2.311 2.123 2.555 . 0 0 "[ . 1]" 1
617 1 128 GLU QB 1 129 GLU H 3.000 . 3.500 3.175 2.423 3.758 0.258 6 0 "[ . 1]" 1
618 1 128 GLU QG 1 129 GLU H 4.000 . 4.500 2.601 1.795 3.722 0.005 7 0 "[ . 1]" 1
619 1 128 GLU HA 1 139 SER QB 3.000 . 3.500 3.852 3.748 3.936 0.436 10 0 "[ . 1]" 1
620 1 129 GLU H 1 129 GLU QB 3.000 . 3.500 2.507 2.411 2.852 . 0 0 "[ . 1]" 1
621 1 129 GLU H 1 129 GLU QG 3.000 . 3.500 2.378 1.928 2.796 . 0 0 "[ . 1]" 1
622 1 129 GLU HA 1 130 ALA H 3.000 . 3.500 2.244 2.168 2.320 . 0 0 "[ . 1]" 1
623 1 129 GLU QB 1 130 ALA H 4.000 . 4.500 2.775 2.554 2.973 . 0 0 "[ . 1]" 1
624 1 129 GLU QG 1 130 ALA H 4.000 . 4.500 3.800 3.626 3.904 . 0 0 "[ . 1]" 1
625 1 130 ALA H 1 130 ALA HA 3.000 . 3.500 2.856 2.834 2.890 . 0 0 "[ . 1]" 1
626 1 130 ALA H 1 130 ALA MB 3.000 . 3.500 2.828 2.751 2.883 . 0 0 "[ . 1]" 1
627 1 130 ALA MB 1 131 LYS H 3.000 . 3.500 2.460 2.277 2.594 . 0 0 "[ . 1]" 1
628 1 130 ALA H 1 135 LEU MD2 5.000 . 5.500 5.442 5.202 5.573 0.073 3 0 "[ . 1]" 1
629 1 130 ALA MB 1 136 ALA H 4.000 . 4.500 3.349 2.873 3.985 . 0 0 "[ . 1]" 1
630 1 130 ALA H 1 136 ALA MB 4.000 . 4.500 3.639 3.129 3.883 . 0 0 "[ . 1]" 1
631 1 131 LYS QB 1 132 THR H 4.000 . 4.500 3.874 3.809 4.052 . 0 0 "[ . 1]" 1
632 1 130 ALA MB 1 132 THR H 3.000 . 3.500 2.665 2.530 2.771 . 0 0 "[ . 1]" 1
633 1 132 THR HA 1 133 LYS H 4.000 . 5.000 2.247 2.194 2.369 . 0 0 "[ . 1]" 1
634 1 132 THR MG 1 135 LEU H 4.000 . 4.500 2.751 1.826 4.256 . 0 0 "[ . 1]" 1
635 1 132 THR MG 1 136 ALA H 5.000 . 5.500 3.626 2.642 5.570 0.070 2 0 "[ . 1]" 1
636 1 133 LYS H 1 133 LYS HA 3.000 . 3.500 2.896 2.861 2.912 . 0 0 "[ . 1]" 1
637 1 133 LYS H 1 133 LYS QB 3.000 . 3.500 2.290 2.123 2.386 . 0 0 "[ . 1]" 1
638 1 133 LYS H 1 133 LYS QG 4.000 . 4.500 3.064 2.409 3.989 . 0 0 "[ . 1]" 1
639 1 133 LYS HA 1 134 LYS H 3.000 . 3.500 3.502 3.428 3.546 0.046 6 0 "[ . 1]" 1
640 1 133 LYS HA 1 136 ALA MB 4.000 . 4.500 2.488 2.373 2.648 . 0 0 "[ . 1]" 1
641 1 133 LYS HA 1 137 GLU H 4.000 . 4.500 3.865 3.697 4.144 . 0 0 "[ . 1]" 1
642 1 133 LYS QG 1 137 GLU H 5.000 . 5.500 5.017 3.784 5.498 . 0 0 "[ . 1]" 1
643 1 133 LYS QB 1 134 LYS H 3.000 . 3.500 2.769 2.502 3.106 . 0 0 "[ . 1]" 1
644 1 134 LYS H 1 134 LYS HA 3.000 . 3.500 2.810 2.761 2.858 . 0 0 "[ . 1]" 1
645 1 134 LYS H 1 134 LYS QB 3.000 . 3.500 2.460 2.341 2.642 . 0 0 "[ . 1]" 1
646 1 134 LYS H 1 134 LYS QD 4.000 . 4.500 3.769 3.116 4.290 . 0 0 "[ . 1]" 1
647 1 134 LYS H 1 134 LYS QG 3.000 . 3.500 2.063 1.781 2.335 0.019 7 0 "[ . 1]" 1
648 1 134 LYS HA 1 135 LEU H 4.000 . 4.500 3.586 3.565 3.602 . 0 0 "[ . 1]" 1
649 1 134 LYS QB 1 135 LEU H 3.000 . 3.500 2.492 2.222 3.221 . 0 0 "[ . 1]" 1
650 1 134 LYS HA 1 137 GLU H 4.000 . 4.500 3.910 3.778 4.065 . 0 0 "[ . 1]" 1
651 1 134 LYS HA 1 138 MET H 4.000 . 4.500 4.051 3.859 4.171 . 0 0 "[ . 1]" 1
652 1 135 LEU H 1 135 LEU HA 3.000 . 3.500 2.806 2.792 2.820 . 0 0 "[ . 1]" 1
653 1 135 LEU H 1 135 LEU QB 3.000 . 3.500 2.171 2.124 2.232 . 0 0 "[ . 1]" 1
654 1 135 LEU H 1 135 LEU MD1 3.000 . 3.500 2.889 1.781 3.625 0.125 6 0 "[ . 1]" 1
655 1 135 LEU H 1 135 LEU MD2 5.000 . 5.500 4.038 3.559 4.331 . 0 0 "[ . 1]" 1
656 1 135 LEU HA 1 136 ALA H 4.000 . 4.500 3.543 3.535 3.556 . 0 0 "[ . 1]" 1
657 1 135 LEU QB 1 136 ALA H 3.000 . 3.500 2.567 2.490 2.656 . 0 0 "[ . 1]" 1
658 1 135 LEU MD2 1 136 ALA H 5.000 . 5.500 4.429 4.290 4.625 . 0 0 "[ . 1]" 1
659 1 135 LEU HA 1 138 MET H 4.000 . 4.500 3.490 3.347 3.668 . 0 0 "[ . 1]" 1
660 1 135 LEU HA 1 139 SER H 4.000 . 4.500 3.789 3.616 4.073 . 0 0 "[ . 1]" 1
661 1 136 ALA H 1 136 ALA HA 3.000 . 3.500 2.791 2.781 2.799 . 0 0 "[ . 1]" 1
662 1 136 ALA H 1 136 ALA MB 3.000 . 3.500 2.215 2.181 2.235 . 0 0 "[ . 1]" 1
663 1 136 ALA MB 1 137 GLU H 4.000 . 5.000 2.244 2.141 2.336 . 0 0 "[ . 1]" 1
664 1 136 ALA HA 1 139 SER H 4.000 . 4.500 3.749 3.619 3.824 . 0 0 "[ . 1]" 1
665 1 136 ALA HA 1 140 ALA H 4.000 . 4.500 4.410 4.228 4.518 0.018 9 0 "[ . 1]" 1
666 1 137 GLU H 1 137 GLU HA 3.000 . 3.500 2.822 2.800 2.843 . 0 0 "[ . 1]" 1
667 1 137 GLU H 1 137 GLU QB 3.000 . 3.500 2.372 2.157 2.468 . 0 0 "[ . 1]" 1
668 1 137 GLU H 1 137 GLU QG 3.000 . 3.500 2.297 1.990 3.523 0.023 9 0 "[ . 1]" 1
669 1 137 GLU HA 1 138 MET H 4.000 . 4.500 3.540 3.529 3.554 . 0 0 "[ . 1]" 1
670 1 137 GLU HA 1 140 ALA H 4.000 . 4.500 3.370 3.255 3.508 . 0 0 "[ . 1]" 1
671 1 137 GLU HA 1 141 ALA H 4.000 . 4.500 4.024 3.897 4.218 . 0 0 "[ . 1]" 1
672 1 138 MET HA 1 139 SER H 4.000 . 5.000 3.564 3.554 3.584 . 0 0 "[ . 1]" 1
673 1 138 MET HA 1 142 LYS H 4.000 . 5.000 4.293 4.101 4.567 . 0 0 "[ . 1]" 1
674 1 128 GLU H 1 139 SER QB 3.000 . 3.500 1.663 1.579 1.740 0.221 6 0 "[ . 1]" 1
675 1 139 SER HA 1 140 ALA H 4.000 . 5.000 3.509 3.468 3.538 . 0 0 "[ . 1]" 1
676 1 139 SER HA 1 143 VAL H 4.000 . 5.000 4.127 3.986 4.701 . 0 0 "[ . 1]" 1
677 1 140 ALA HA 1 141 ALA H 4.000 . 5.000 3.557 3.547 3.565 . 0 0 "[ . 1]" 1
678 1 140 ALA MB 1 141 ALA H 4.000 . 5.000 2.352 2.284 2.438 . 0 0 "[ . 1]" 1
679 1 140 ALA HA 1 144 ALA H 4.000 . 5.000 4.228 4.097 4.614 . 0 0 "[ . 1]" 1
680 1 141 ALA MB 1 142 LYS H 4.000 . 5.000 2.882 2.829 2.922 . 0 0 "[ . 1]" 1
681 1 141 ALA HA 1 145 PHE H 4.000 . 5.000 3.661 3.469 3.925 . 0 0 "[ . 1]" 1
682 1 144 ALA HA 1 148 ILE H 4.000 . 4.500 4.141 3.838 4.445 . 0 0 "[ . 1]" 1
683 1 145 PHE HA 1 148 ILE H 4.000 . 4.500 3.523 3.330 3.660 . 0 0 "[ . 1]" 1
684 1 145 PHE HA 1 149 LYS H 4.000 . 4.500 4.534 4.500 4.600 0.100 6 0 "[ . 1]" 1
685 1 146 MET HA 1 147 SER H 4.000 . 5.000 3.539 3.516 3.562 . 0 0 "[ . 1]" 1
686 1 146 MET HA 1 149 LYS H 4.000 . 4.500 3.530 3.346 3.723 . 0 0 "[ . 1]" 1
687 1 147 SER QB 1 148 ILE H 3.000 . 3.500 2.677 2.473 3.388 . 0 0 "[ . 1]" 1
688 1 148 ILE H 1 148 ILE HA 3.000 . 3.500 2.811 2.774 2.847 . 0 0 "[ . 1]" 1
689 1 148 ILE H 1 148 ILE HB 3.000 . 3.500 2.411 2.375 2.463 . 0 0 "[ . 1]" 1
690 1 148 ILE H 1 148 ILE MD 3.000 . 3.500 3.453 3.372 3.527 0.027 1 0 "[ . 1]" 1
691 1 148 ILE H 1 148 ILE QG 3.000 . 3.500 2.263 2.172 2.348 . 0 0 "[ . 1]" 1
692 1 148 ILE H 1 148 ILE MG 4.000 . 4.500 3.741 3.732 3.759 . 0 0 "[ . 1]" 1
693 1 148 ILE HB 1 149 LYS H 3.000 . 3.500 2.736 2.632 2.890 . 0 0 "[ . 1]" 1
694 1 148 ILE MG 1 149 LYS H 3.000 . 3.500 3.351 3.161 3.506 0.006 4 0 "[ . 1]" 1
695 1 148 ILE HA 1 150 ASN H 4.000 . 5.000 4.226 3.444 4.532 . 0 0 "[ . 1]" 1
696 1 149 LYS H 1 149 LYS HA 3.000 . 3.500 2.790 2.724 2.827 . 0 0 "[ . 1]" 1
697 1 149 LYS H 1 149 LYS QB 3.000 . 3.500 2.325 2.069 2.630 . 0 0 "[ . 1]" 1
698 1 149 LYS H 1 149 LYS QD 4.000 . 4.500 3.343 2.221 4.148 . 0 0 "[ . 1]" 1
699 1 149 LYS H 1 149 LYS QE 5.000 . 5.500 4.439 3.805 4.769 . 0 0 "[ . 1]" 1
700 1 149 LYS H 1 149 LYS QG 3.000 . 3.500 2.588 1.948 3.601 0.101 4 0 "[ . 1]" 1
701 1 149 LYS HA 1 150 ASN H 4.000 . 5.000 3.529 3.332 3.559 . 0 0 "[ . 1]" 1
702 1 149 LYS QB 1 150 ASN H 3.000 . 3.500 2.631 2.398 3.264 . 0 0 "[ . 1]" 1
703 1 3 HIS HA 1 4 VAL MG2 4.000 . 4.500 3.778 3.286 4.171 . 0 0 "[ . 1]" 1
704 1 4 VAL HA 1 4 VAL HB 3.000 . 3.500 2.426 2.384 2.528 . 0 0 "[ . 1]" 1
705 1 4 VAL HA 1 4 VAL MG2 3.000 . 3.500 3.206 3.194 3.237 . 0 0 "[ . 1]" 1
706 1 4 VAL MG2 1 5 TYR HD1 3.000 . 4.000 2.282 2.149 2.628 . 0 0 "[ . 1]" 1
707 1 4 VAL MG2 1 5 TYR HD2 3.000 . 4.000 4.378 4.253 4.543 0.543 7 2 "[ -. + 1]" 1
708 1 5 TYR HA 1 8 GLN QB 4.000 . 4.500 2.932 2.718 3.495 . 0 0 "[ . 1]" 1
709 1 5 TYR HD1 1 61 HIS HA 4.000 . 4.500 3.205 2.630 4.632 0.132 4 0 "[ . 1]" 1
710 1 5 TYR QB 1 65 LYS HA 4.000 . 4.500 4.089 3.896 4.327 . 0 0 "[ . 1]" 1
711 1 5 TYR HD2 1 65 LYS HA 3.000 . 3.500 2.656 2.477 2.856 . 0 0 "[ . 1]" 1
712 1 5 TYR HD2 1 65 LYS QB 4.000 . 4.500 2.998 2.454 3.212 . 0 0 "[ . 1]" 1
713 1 5 TYR HE2 1 65 LYS HA 3.000 . 3.500 3.403 2.884 3.510 0.010 8 0 "[ . 1]" 1
714 1 5 TYR HE2 1 65 LYS QB 4.000 . 4.500 2.678 2.289 2.911 . 0 0 "[ . 1]" 1
715 1 6 LYS HA 1 23 TYR HE1 5.000 . 5.500 4.038 3.730 4.212 . 0 0 "[ . 1]" 1
716 1 6 LYS HA 1 23 TYR HE2 5.000 . 5.500 4.774 4.362 5.217 . 0 0 "[ . 1]" 1
717 1 6 LYS HA 1 64 ALA MB 3.000 . 3.500 3.509 3.374 3.562 0.062 10 0 "[ . 1]" 1
718 1 7 GLY QA 1 8 GLN HA 4.000 . 4.500 4.041 4.031 4.050 . 0 0 "[ . 1]" 1
719 1 7 GLY QA 1 10 GLN QB 4.000 . 4.500 2.695 2.561 2.820 . 0 0 "[ . 1]" 1
720 1 8 GLN HA 1 9 LEU HA 5.000 . 5.500 4.758 4.741 4.778 . 0 0 "[ . 1]" 1
721 1 8 GLN QB 1 9 LEU HA 5.000 . 5.500 3.879 3.734 3.991 . 0 0 "[ . 1]" 1
722 1 8 GLN HA 1 11 ALA MB 4.000 . 4.500 2.765 2.578 2.876 . 0 0 "[ . 1]" 1
723 1 8 GLN QB 1 68 VAL MG1 5.000 . 5.500 3.997 3.527 4.717 . 0 0 "[ . 1]" 1
724 1 8 GLN QB 1 68 VAL MG2 5.000 . 5.500 3.069 2.276 3.801 . 0 0 "[ . 1]" 1
725 1 9 LEU HA 1 9 LEU MD1 3.000 . 3.500 2.122 2.054 2.193 . 0 0 "[ . 1]" 1
726 1 9 LEU HA 1 9 LEU MD2 4.000 . 4.500 3.799 3.774 3.824 . 0 0 "[ . 1]" 1
727 1 9 LEU QB 1 9 LEU MD1 3.000 . 3.500 2.217 2.148 2.266 . 0 0 "[ . 1]" 1
728 1 9 LEU QB 1 9 LEU MD2 3.000 . 3.500 2.106 2.097 2.113 . 0 0 "[ . 1]" 1
729 1 9 LEU HA 1 10 GLN HA 4.000 . 4.500 4.722 4.681 4.775 0.275 6 0 "[ . 1]" 1
730 1 9 LEU HG 1 10 GLN HA 4.000 . 4.500 3.768 3.509 4.258 . 0 0 "[ . 1]" 1
731 1 9 LEU HA 1 12 TYR QB 3.000 . 4.000 2.722 2.566 2.875 . 0 0 "[ . 1]" 1
732 1 9 LEU MD2 1 40 VAL HB 5.000 . 5.500 4.656 4.354 4.919 . 0 0 "[ . 1]" 1
733 1 9 LEU MD2 1 40 VAL MG1 4.000 . 5.000 4.018 3.946 4.102 . 0 0 "[ . 1]" 1
734 1 9 LEU MD2 1 40 VAL MG2 3.000 . 4.000 2.502 2.317 2.715 . 0 0 "[ . 1]" 1
735 1 9 LEU QB 1 64 ALA HA 4.000 . 4.500 4.479 4.239 4.553 0.053 8 0 "[ . 1]" 1
736 1 9 LEU QB 1 64 ALA MB 4.000 . 5.000 3.131 2.926 3.237 . 0 0 "[ . 1]" 1
737 1 9 LEU MD1 1 64 ALA HA 4.000 . 5.000 4.763 4.207 5.010 0.010 6 0 "[ . 1]" 1
738 1 9 LEU MD2 1 64 ALA HA 3.000 . 3.500 3.481 3.329 3.531 0.031 3 0 "[ . 1]" 1
739 1 9 LEU MD2 1 64 ALA MB 3.000 . 4.000 3.179 2.794 3.466 . 0 0 "[ . 1]" 1
740 1 9 LEU MD1 1 67 ALA MB 3.000 . 4.000 3.051 2.776 3.306 . 0 0 "[ . 1]" 1
741 1 9 LEU MD2 1 67 ALA MB 3.000 . 4.000 2.985 2.776 3.391 . 0 0 "[ . 1]" 1
742 1 9 LEU MD1 1 68 VAL HA 4.000 . 4.500 3.438 2.979 4.423 . 0 0 "[ . 1]" 1
743 1 9 LEU MD1 1 68 VAL HB 4.000 . 4.500 4.089 3.417 4.544 0.044 2 0 "[ . 1]" 1
744 1 9 LEU MD1 1 71 LEU MD1 3.000 . 4.000 2.371 2.014 3.170 . 0 0 "[ . 1]" 1
745 1 10 GLN HA 1 10 GLN QG 3.000 . 3.500 2.513 2.363 2.871 . 0 0 "[ . 1]" 1
746 1 10 GLN HA 1 11 ALA HA 5.000 . 5.500 4.792 4.774 4.814 . 0 0 "[ . 1]" 1
747 1 10 GLN QG 1 11 ALA HA 4.000 . 4.500 3.680 3.572 3.835 . 0 0 "[ . 1]" 1
748 1 10 GLN HA 1 21 PRO QD 4.000 . 4.500 3.085 2.354 4.493 . 0 0 "[ . 1]" 1
749 1 10 GLN HA 1 21 PRO QG 4.000 . 4.500 2.425 2.302 2.728 . 0 0 "[ . 1]" 1
750 1 11 ALA HA 1 12 TYR HA 4.000 . 5.000 4.822 4.801 4.837 . 0 0 "[ . 1]" 1
751 1 11 ALA MB 1 12 TYR HA 4.000 . 5.000 3.819 3.794 3.835 . 0 0 "[ . 1]" 1
752 1 11 ALA HA 1 14 LEU QB 4.000 . 4.500 2.706 2.508 2.801 . 0 0 "[ . 1]" 1
753 1 11 ALA HA 1 14 LEU MD2 4.000 . 4.500 3.556 3.326 3.758 . 0 0 "[ . 1]" 1
754 1 12 TYR HA 1 12 TYR HD1 3.000 . 3.500 2.649 2.514 2.916 . 0 0 "[ . 1]" 1
755 1 12 TYR HD2 1 13 ALA HA 3.000 . 3.500 3.283 2.885 3.512 0.012 2 0 "[ . 1]" 1
756 1 12 TYR HD2 1 13 ALA MB 4.000 . 4.500 3.744 3.522 4.136 . 0 0 "[ . 1]" 1
757 1 12 TYR HA 1 15 GLN QB 3.000 . 3.500 2.992 2.641 3.540 0.040 1 0 "[ . 1]" 1
758 1 12 TYR HD2 1 71 LEU MD1 4.000 . 4.500 3.348 2.811 3.963 . 0 0 "[ . 1]" 1
759 1 12 TYR HE2 1 71 LEU MD1 4.000 . 4.500 3.383 2.600 4.116 . 0 0 "[ . 1]" 1
760 1 12 TYR HE2 1 71 LEU MD2 3.500 . 4.000 3.845 3.092 4.048 0.048 4 0 "[ . 1]" 1
761 1 13 ALA HA 1 14 LEU HA 4.000 . 5.000 4.802 4.761 4.838 . 0 0 "[ . 1]" 1
762 1 13 ALA HA 1 18 LEU QB 4.000 . 4.500 3.078 2.152 4.533 0.033 2 0 "[ . 1]" 1
763 1 13 ALA HA 1 18 LEU MD1 4.000 . 4.500 3.099 2.402 4.118 . 0 0 "[ . 1]" 1
764 1 13 ALA HA 1 18 LEU HG 4.000 . 4.500 3.625 2.516 4.626 0.126 3 0 "[ . 1]" 1
765 1 13 ALA HA 1 42 PHE HE1 4.000 . 5.000 4.898 4.401 5.044 0.044 9 0 "[ . 1]" 1
766 1 13 ALA MB 1 42 PHE HE1 4.000 . 5.000 2.694 2.469 2.822 . 0 0 "[ . 1]" 1
767 1 14 LEU HA 1 14 LEU MD1 4.000 . 4.500 2.174 2.125 2.244 . 0 0 "[ . 1]" 1
768 1 14 LEU HA 1 14 LEU MD2 4.000 . 4.500 3.827 3.787 3.843 . 0 0 "[ . 1]" 1
769 1 14 LEU HA 1 14 LEU HG 3.000 . 3.500 2.863 2.515 2.998 . 0 0 "[ . 1]" 1
770 1 14 LEU QB 1 14 LEU MD1 3.000 . 3.500 2.190 2.162 2.222 . 0 0 "[ . 1]" 1
771 1 14 LEU QB 1 14 LEU MD2 3.000 . 3.500 2.108 2.102 2.112 . 0 0 "[ . 1]" 1
772 1 14 LEU MD2 1 15 GLN HA 4.000 . 4.500 4.527 4.425 4.568 0.068 6 0 "[ . 1]" 1
773 1 15 GLN QG 1 16 HIS HA 4.000 . 4.500 3.730 3.121 4.440 . 0 0 "[ . 1]" 1
774 1 16 HIS QB 1 18 LEU MD1 4.000 . 4.500 2.565 1.949 3.793 . 0 0 "[ . 1]" 1
775 1 18 LEU HA 1 18 LEU MD1 4.000 . 4.500 3.741 2.294 4.113 . 0 0 "[ . 1]" 1
776 1 18 LEU HA 1 18 LEU MD2 3.000 . 3.500 2.695 2.109 3.710 0.210 3 0 "[ . 1]" 1
777 1 18 LEU QB 1 18 LEU MD1 3.000 . 3.500 2.127 2.099 2.307 . 0 0 "[ . 1]" 1
778 1 18 LEU QB 1 18 LEU MD2 3.000 . 3.500 2.198 2.089 2.257 . 0 0 "[ . 1]" 1
779 1 18 LEU HA 1 19 GLU HA 4.000 . 4.500 4.317 4.292 4.369 . 0 0 "[ . 1]" 1
780 1 18 LEU MD2 1 43 CYS QB 4.000 . 4.500 4.498 4.399 4.534 0.034 2 0 "[ . 1]" 1
781 1 19 GLU HA 1 19 GLU QG 3.000 . 3.500 2.513 2.301 3.280 . 0 0 "[ . 1]" 1
782 1 21 PRO HA 1 22 VAL HA 4.000 . 4.500 4.469 4.459 4.479 . 0 0 "[ . 1]" 1
783 1 21 PRO HA 1 42 PHE HA 3.000 . 3.500 3.584 3.549 3.625 0.125 3 0 "[ . 1]" 1
784 1 22 VAL HA 1 22 VAL HB 3.000 . 3.500 3.029 3.023 3.033 . 0 0 "[ . 1]" 1
785 1 22 VAL HA 1 22 VAL MG1 3.000 . 3.500 2.390 2.381 2.410 . 0 0 "[ . 1]" 1
786 1 22 VAL HA 1 22 VAL MG2 3.000 . 3.500 2.288 2.265 2.319 . 0 0 "[ . 1]" 1
787 1 22 VAL HA 1 23 TYR HD1 3.000 . 3.500 2.945 2.883 2.988 . 0 0 "[ . 1]" 1
788 1 22 VAL HA 1 23 TYR HE1 4.000 . 4.500 4.579 4.558 4.621 0.121 10 0 "[ . 1]" 1
789 1 22 VAL HB 1 41 THR HB 4.000 . 5.000 2.346 2.297 2.409 . 0 0 "[ . 1]" 1
790 1 22 VAL HB 1 41 THR MG . . 3.500 3.343 3.213 3.448 . 0 0 "[ . 1]" 1
791 1 22 VAL MG1 1 41 THR HB 3.000 . 3.500 3.196 3.072 3.476 . 0 0 "[ . 1]" 1
792 1 23 TYR HA 1 23 TYR QB 2.000 . 2.200 2.371 2.353 2.389 0.189 6 0 "[ . 1]" 1
793 1 23 TYR HA 1 23 TYR HD1 3.000 . 3.500 3.476 3.394 3.524 0.024 8 0 "[ . 1]" 1
794 1 23 TYR HA 1 23 TYR HD2 3.000 . 3.500 3.383 3.326 3.436 . 0 0 "[ . 1]" 1
795 1 23 TYR QB 1 23 TYR HD1 3.000 . 3.500 2.598 2.568 2.638 . 0 0 "[ . 1]" 1
796 1 23 TYR QB 1 23 TYR HD2 3.000 . 3.500 2.280 2.264 2.301 . 0 0 "[ . 1]" 1
797 1 23 TYR HA 1 24 ALA MB 4.000 . 5.000 3.873 3.822 3.948 . 0 0 "[ . 1]" 1
798 1 23 TYR HD2 1 38 CYS QB 4.000 . 4.500 4.368 3.904 4.568 0.068 6 0 "[ . 1]" 1
799 1 23 TYR HA 1 40 VAL HA 2.500 . 3.000 2.356 2.316 2.459 . 0 0 "[ . 1]" 1
800 1 23 TYR HA 1 40 VAL HB 4.000 . 4.500 4.157 4.025 4.287 . 0 0 "[ . 1]" 1
801 1 23 TYR HE1 1 40 VAL HB 5.000 . 5.500 5.551 5.534 5.575 0.075 3 0 "[ . 1]" 1
802 1 23 TYR HE1 1 40 VAL MG2 5.000 . 5.500 3.619 3.479 3.825 . 0 0 "[ . 1]" 1
803 1 23 TYR HE2 1 40 VAL HB 3.000 . 3.500 3.046 2.774 3.338 . 0 0 "[ . 1]" 1
804 1 23 TYR HE2 1 40 VAL MG2 3.000 . 3.500 3.200 2.955 3.516 0.016 4 0 "[ . 1]" 1
805 1 23 TYR QB 1 60 GLU HA 4.000 . 4.500 4.545 4.469 4.580 0.080 5 0 "[ . 1]" 1
806 1 23 TYR QB 1 60 GLU QB 4.000 . 4.500 4.411 4.189 4.511 0.011 4 0 "[ . 1]" 1
807 1 23 TYR HD2 1 60 GLU HA 3.000 . 3.500 3.007 2.935 3.047 . 0 0 "[ . 1]" 1
808 1 23 TYR HD2 1 60 GLU QG 3.500 . 4.000 2.792 2.657 2.918 . 0 0 "[ . 1]" 1
809 1 23 TYR HE2 1 60 GLU HA 3.000 . 3.500 3.553 3.525 3.591 0.091 9 0 "[ . 1]" 1
810 1 23 TYR HD2 1 63 ALA MB 4.000 . 4.500 3.392 3.272 3.537 . 0 0 "[ . 1]" 1
811 1 23 TYR HE2 1 63 ALA MB 4.000 . 4.500 3.100 2.805 3.315 . 0 0 "[ . 1]" 1
812 1 23 TYR HE2 1 64 ALA HA 3.500 . 4.000 3.852 3.611 4.035 0.035 10 0 "[ . 1]" 1
813 1 23 TYR HE2 1 64 ALA MB 3.500 . 4.000 2.353 2.280 2.610 . 0 0 "[ . 1]" 1
814 1 24 ALA HA 1 25 ASN HA 4.000 . 5.000 4.421 4.403 4.445 . 0 0 "[ . 1]" 1
815 1 24 ALA MB 1 39 ASN QB 3.000 . 4.000 2.210 1.897 2.387 . 0 0 "[ . 1]" 1
816 1 25 ASN HA 1 38 CYS HA 2.500 . 3.000 2.870 2.542 3.057 0.057 9 0 "[ . 1]" 1
817 1 25 ASN QB 1 38 CYS QB 5.000 . 5.500 4.397 3.676 4.885 . 0 0 "[ . 1]" 1
818 1 25 ASN QB 1 56 LEU MD1 3.000 . 4.000 3.342 3.093 3.665 . 0 0 "[ . 1]" 1
819 1 25 ASN QD 1 56 LEU MD1 4.000 . 4.500 4.309 3.729 4.529 0.029 2 0 "[ . 1]" 1
820 1 25 ASN QD 1 60 GLU QG 4.500 . 5.000 4.387 2.772 5.006 0.006 10 0 "[ . 1]" 1
821 1 27 ARG QB 1 28 GLU HA 5.000 . 6.000 4.475 4.413 4.629 . 0 0 "[ . 1]" 1
822 1 27 ARG QG 1 28 GLU HA 4.000 . 5.000 3.416 3.261 3.496 . 0 0 "[ . 1]" 1
823 1 27 ARG QG 1 34 PRO QB 3.500 . 4.000 3.843 3.730 3.951 . 0 0 "[ . 1]" 1
824 1 27 ARG HA 1 36 PHE HA 2.500 . 3.000 2.865 2.753 2.961 . 0 0 "[ . 1]" 1
825 1 27 ARG HA 1 36 PHE HD1 4.000 . 4.500 3.544 3.314 3.650 . 0 0 "[ . 1]" 1
826 1 27 ARG HA 1 36 PHE HE1 . . 4.500 4.525 4.400 4.579 0.079 4 0 "[ . 1]" 1
827 1 27 ARG QB 1 36 PHE HD1 4.000 . 4.500 3.047 2.928 3.162 . 0 0 "[ . 1]" 1
828 1 27 ARG QB 1 36 PHE HE1 3.500 . 4.000 3.329 3.268 3.386 . 0 0 "[ . 1]" 1
829 1 27 ARG QD 1 36 PHE HE1 3.500 . 4.000 2.323 2.156 2.724 . 0 0 "[ . 1]" 1
830 1 28 GLU HA 1 28 GLU QG 3.000 . 3.500 2.504 2.270 3.299 . 0 0 "[ . 1]" 1
831 1 28 GLU QB 1 35 ARG QB 5.000 . 5.500 4.030 3.895 4.797 . 0 0 "[ . 1]" 1
832 1 29 GLY QA 1 30 PRO QD 3.000 . 3.500 2.000 1.957 2.034 . 0 0 "[ . 1]" 1
833 1 29 GLY QA 1 34 PRO HA 3.000 . 4.000 2.586 2.508 2.657 . 0 0 "[ . 1]" 1
834 1 30 PRO QD 1 33 ALA MB 4.000 . 4.500 2.282 2.229 2.403 . 0 0 "[ . 1]" 1
835 1 31 PRO HA 1 31 PRO QD 3.000 . 3.500 3.296 3.210 3.382 . 0 0 "[ . 1]" 1
836 1 31 PRO HA 1 31 PRO QG 3.000 . 3.500 3.215 2.864 3.500 . 0 0 "[ . 1]" 1
837 1 31 PRO QB 1 31 PRO QD 3.000 . 3.500 2.768 2.691 2.835 . 0 0 "[ . 1]" 1
838 1 31 PRO QB 1 32 HIS HA 5.000 . 6.000 3.954 3.879 4.032 . 0 0 "[ . 1]" 1
839 1 31 PRO QG 1 32 HIS HA 5.000 . 6.000 5.163 4.588 5.760 . 0 0 "[ . 1]" 1
840 1 32 HIS HA 1 33 ALA HA 4.000 . 5.000 4.469 4.456 4.488 . 0 0 "[ . 1]" 1
841 1 32 HIS HA 1 34 PRO QD 4.000 . 4.500 3.090 3.014 3.146 . 0 0 "[ . 1]" 1
842 1 34 PRO QB 1 36 PHE HE2 4.000 . 4.500 2.738 2.511 2.892 . 0 0 "[ . 1]" 1
843 1 34 PRO QG 1 36 PHE HE2 3.000 . 3.500 3.000 2.701 3.191 . 0 0 "[ . 1]" 1
844 1 35 ARG HA 1 35 ARG QD 4.000 . 5.000 3.962 3.939 3.995 . 0 0 "[ . 1]" 1
845 1 35 ARG HA 1 35 ARG QG 3.000 . 3.500 2.343 2.316 2.368 . 0 0 "[ . 1]" 1
846 1 35 ARG QB 1 52 PHE QB 4.000 . 5.000 2.608 2.477 2.725 . 0 0 "[ . 1]" 1
847 1 35 ARG QB 1 52 PHE HD1 4.000 . 5.000 4.920 4.812 4.984 . 0 0 "[ . 1]" 1
848 1 35 ARG QB 1 52 PHE HD2 4.000 . 5.000 3.747 3.414 4.175 . 0 0 "[ . 1]" 1
849 1 36 PHE HD2 1 55 THR HA 3.000 . 3.500 3.273 3.141 3.397 . 0 0 "[ . 1]" 1
850 1 36 PHE HD1 1 55 THR HA 5.000 . 5.500 5.600 5.590 5.621 0.121 9 0 "[ . 1]" 1
851 1 36 PHE HE2 1 55 THR HA 3.000 . 3.500 3.130 2.987 3.256 . 0 0 "[ . 1]" 1
852 1 36 PHE HE1 1 55 THR HA 5.000 . 5.500 5.503 5.484 5.522 0.022 6 0 "[ . 1]" 1
853 1 36 PHE QB 1 56 LEU HA 3.000 . 3.500 2.253 2.230 2.277 . 0 0 "[ . 1]" 1
854 1 36 PHE HD1 1 56 LEU HA 3.000 . 3.500 3.331 3.136 3.558 0.058 2 0 "[ . 1]" 1
855 1 36 PHE HD1 1 56 LEU MD1 3.000 . 3.500 3.488 3.309 3.556 0.056 3 0 "[ . 1]" 1
856 1 36 PHE HD1 1 56 LEU HG 3.000 . 3.500 2.295 2.250 2.326 . 0 0 "[ . 1]" 1
857 1 36 PHE HE1 1 56 LEU HA 5.000 . 5.500 4.849 4.637 5.120 . 0 0 "[ . 1]" 1
858 1 36 PHE HE1 1 56 LEU MD1 3.000 . 3.500 3.488 3.433 3.514 0.014 8 0 "[ . 1]" 1
859 1 36 PHE HE1 1 56 LEU HG 3.000 . 3.500 3.648 3.591 3.725 0.225 2 0 "[ . 1]" 1
860 1 37 ARG HA 1 53 PHE HD1 3.000 . 3.500 3.576 3.544 3.608 0.108 2 0 "[ . 1]" 1
861 1 37 ARG HA 1 53 PHE HE1 3.000 . 3.500 3.139 2.910 3.265 . 0 0 "[ . 1]" 1
862 1 37 ARG HA 1 59 ALA MB 3.000 . 3.500 3.388 3.138 3.474 . 0 0 "[ . 1]" 1
863 1 38 CYS QB 1 60 GLU HA 3.000 . 3.200 3.145 2.975 3.243 0.043 7 0 "[ . 1]" 1
864 1 39 ASN HA 1 48 GLN HA 3.500 . 4.000 3.713 3.590 3.829 . 0 0 "[ . 1]" 1
865 1 39 ASN HA 1 63 ALA MB 4.000 . 5.000 3.104 2.961 3.234 . 0 0 "[ . 1]" 1
866 1 40 VAL MG1 1 64 ALA HA 3.500 . 4.000 2.929 2.738 3.170 . 0 0 "[ . 1]" 1
867 1 40 VAL MG2 1 64 ALA HA 4.000 . 4.400 2.958 2.748 3.220 . 0 0 "[ . 1]" 1
868 1 40 VAL MG1 1 67 ALA MB 4.000 . 5.000 2.629 2.473 2.743 . 0 0 "[ . 1]" 1
869 1 22 VAL MG2 1 41 THR HB 4.000 . 5.000 3.988 3.836 4.080 . 0 0 "[ . 1]" 1
870 1 41 THR HA 1 46 THR HA 2.500 . 3.000 2.557 2.375 2.890 . 0 0 "[ . 1]" 1
871 1 41 THR HA 1 46 THR HG1 4.000 . 4.500 2.774 2.396 4.301 . 0 0 "[ . 1]" 1
872 1 41 THR MG 1 46 THR MG 4.000 . 4.500 2.878 2.630 4.263 . 0 0 "[ . 1]" 1
873 1 42 PHE HD2 1 71 LEU MD1 4.000 . 4.500 3.280 2.319 4.393 . 0 0 "[ . 1]" 1
874 1 42 PHE HD2 1 71 LEU MD2 4.000 . 4.500 3.519 2.987 4.297 . 0 0 "[ . 1]" 1
875 1 42 PHE HE2 1 71 LEU MD1 4.000 . 4.500 3.133 2.411 3.889 . 0 0 "[ . 1]" 1
876 1 42 PHE HE2 1 71 LEU MD2 4.000 . 4.500 3.883 3.114 4.507 0.007 4 0 "[ . 1]" 1
877 1 45 GLN HA 1 47 PHE HE1 4.000 . 4.500 4.508 3.803 4.612 0.112 2 0 "[ . 1]" 1
878 1 45 GLN QB 1 47 PHE HD1 4.000 . 4.500 3.199 2.668 3.681 . 0 0 "[ . 1]" 1
879 1 45 GLN QB 1 47 PHE HE1 3.000 . 3.500 2.080 2.039 2.293 . 0 0 "[ . 1]" 1
880 1 41 THR HA 1 46 THR MG 4.000 . 4.500 2.795 2.398 4.473 . 0 0 "[ . 1]" 1
881 1 46 THR HA 1 47 PHE HD1 3.000 . 3.500 3.547 3.183 3.629 0.129 4 0 "[ . 1]" 1
882 1 47 PHE HA 1 47 PHE HD1 3.000 . 3.500 3.580 2.895 3.714 0.214 8 0 "[ . 1]" 1
883 1 48 GLN HA 1 66 ILE MD 4.000 . 4.500 3.222 2.712 3.438 . 0 0 "[ . 1]" 1
884 1 53 PHE HD1 1 59 ALA HA 3.000 . 3.500 3.048 2.872 3.264 . 0 0 "[ . 1]" 1
885 1 53 PHE HD1 1 59 ALA MB 3.000 . 3.500 2.182 2.119 2.217 . 0 0 "[ . 1]" 1
886 1 53 PHE HD2 1 59 ALA HA 4.000 . 4.500 4.110 3.677 4.458 . 0 0 "[ . 1]" 1
887 1 53 PHE HE1 1 59 ALA HA 3.000 . 3.500 3.007 2.853 3.182 . 0 0 "[ . 1]" 1
888 1 53 PHE HE1 1 59 ALA MB 3.000 . 3.500 2.449 2.330 2.632 . 0 0 "[ . 1]" 1
889 1 53 PHE HE2 1 59 ALA HA 4.000 . 4.500 4.061 3.612 4.437 . 0 0 "[ . 1]" 1
890 1 56 LEU HA 1 56 LEU MD1 3.000 . 3.500 3.681 3.668 3.697 0.197 4 0 "[ . 1]" 1
891 1 56 LEU HA 1 56 LEU MD2 4.000 . 4.500 2.265 2.235 2.311 . 0 0 "[ . 1]" 1
892 1 56 LEU HA 1 56 LEU HG 4.000 . 5.000 2.318 2.268 2.343 . 0 0 "[ . 1]" 1
893 1 56 LEU HA 1 59 ALA MB 4.000 . 4.500 3.207 3.141 3.250 . 0 0 "[ . 1]" 1
894 1 56 LEU MD2 1 60 GLU QG 3.500 . 4.000 2.713 2.499 2.941 . 0 0 "[ . 1]" 1
895 1 57 LYS HA 1 57 LYS QD 4.000 . 5.000 3.807 2.184 4.107 . 0 0 "[ . 1]" 1
896 1 57 LYS HA 1 60 GLU QB 3.500 . 4.000 2.604 2.486 2.684 . 0 0 "[ . 1]" 1
897 1 57 LYS HA 1 60 GLU QG 3.500 . 4.000 3.516 3.356 3.762 . 0 0 "[ . 1]" 1
898 1 59 ALA HA 1 62 ALA MB 4.000 . 5.000 2.687 2.457 2.853 . 0 0 "[ . 1]" 1
899 1 60 GLU QB 1 61 HIS HA 3.500 . 4.000 3.900 3.886 3.925 . 0 0 "[ . 1]" 1
900 1 60 GLU HA 1 63 ALA MB 4.000 . 5.000 2.555 2.398 2.724 . 0 0 "[ . 1]" 1
901 1 61 HIS HA 1 64 ALA MB 4.000 . 5.000 3.152 2.948 3.261 . 0 0 "[ . 1]" 1
902 1 63 ALA HA 1 66 ILE MD 3.000 . 3.500 2.498 2.280 2.702 . 0 0 "[ . 1]" 1
903 1 63 ALA HA 1 66 ILE MG 4.000 . 4.500 4.599 4.541 4.657 0.157 6 0 "[ . 1]" 1
904 1 63 ALA MB 1 66 ILE MD 4.000 . 4.500 3.889 3.507 4.084 . 0 0 "[ . 1]" 1
905 1 64 ALA HA 1 67 ALA MB 3.500 . 4.000 2.581 2.313 2.882 . 0 0 "[ . 1]" 1
906 1 65 LYS HA 1 68 VAL HB 4.000 . 5.000 3.390 2.314 4.174 . 0 0 "[ . 1]" 1
907 1 65 LYS HA 1 68 VAL MG1 3.000 . 3.500 2.676 2.009 3.625 0.125 2 0 "[ . 1]" 1
908 1 66 ILE HA 1 66 ILE MD 4.000 . 4.500 3.813 3.796 3.866 . 0 0 "[ . 1]" 1
909 1 66 ILE HA 1 69 ALA MB 3.500 . 4.000 2.872 2.641 3.066 . 0 0 "[ . 1]" 1
910 1 67 ALA HA 1 70 SER QB 4.000 . 5.000 2.711 2.398 3.465 . 0 0 "[ . 1]" 1
911 1 68 VAL HA 1 68 VAL HB 3.000 . 3.500 2.703 2.440 3.019 . 0 0 "[ . 1]" 1
912 1 68 VAL MG1 1 69 ALA HA 4.000 . 4.500 3.217 3.134 3.310 . 0 0 "[ . 1]" 1
913 1 68 VAL HA 1 71 LEU MD1 3.000 . 3.500 2.662 2.289 3.243 . 0 0 "[ . 1]" 1
914 1 69 ALA MB 1 70 SER HA 4.000 . 5.000 3.870 3.833 3.913 . 0 0 "[ . 1]" 1
915 1 47 PHE HD2 1 70 SER QB 4.000 . 4.500 4.271 3.954 4.531 0.031 7 0 "[ . 1]" 1
916 1 47 PHE HE2 1 70 SER QB 3.000 . 3.500 3.433 3.200 3.541 0.041 5 0 "[ . 1]" 1
917 1 70 SER HA 1 71 LEU HA 4.000 . 5.000 4.760 4.728 4.810 . 0 0 "[ . 1]" 1
918 1 71 LEU HA 1 71 LEU MD1 4.000 . 4.500 3.810 3.795 3.822 . 0 0 "[ . 1]" 1
919 1 71 LEU HA 1 71 LEU MD2 3.000 . 3.500 2.108 2.087 2.127 . 0 0 "[ . 1]" 1
920 1 71 LEU HA 1 71 LEU HG 3.000 . 3.500 2.995 2.807 3.136 . 0 0 "[ . 1]" 1
921 1 71 LEU QB 1 71 LEU MD1 3.000 . 3.500 2.106 2.091 2.115 . 0 0 "[ . 1]" 1
922 1 71 LEU QB 1 71 LEU MD2 3.000 . 3.500 2.216 2.169 2.243 . 0 0 "[ . 1]" 1
923 1 72 THR HA 1 72 THR HB 3.000 . 3.500 2.699 2.330 3.019 . 0 0 "[ . 1]" 1
924 1 72 THR HA 1 72 THR MG 3.000 . 3.500 2.337 2.161 3.159 . 0 0 "[ . 1]" 1
925 1 83 TYR HA 1 86 LEU MD1 4.000 . 4.500 4.126 2.734 4.574 0.074 10 0 "[ . 1]" 1
926 1 83 TYR HA 1 87 LEU HG 4.000 . 4.500 4.323 3.676 4.656 0.156 9 0 "[ . 1]" 1
927 1 83 TYR QB 1 141 ALA MB 4.000 . 4.500 2.446 2.092 3.053 . 0 0 "[ . 1]" 1
928 1 84 LYS HA 1 84 LYS QD 4.000 . 4.500 3.939 3.912 3.952 . 0 0 "[ . 1]" 1
929 1 84 LYS HA 1 84 LYS QG 3.000 . 3.500 2.295 2.164 2.328 . 0 0 "[ . 1]" 1
930 1 84 LYS QB 1 84 LYS QD 3.000 . 3.500 2.129 2.122 2.136 . 0 0 "[ . 1]" 1
931 1 84 LYS HA 1 85 ASN HA 5.000 . 5.500 4.799 4.737 4.838 . 0 0 "[ . 1]" 1
932 1 84 LYS QB 1 85 ASN HA 4.000 . 4.500 3.905 3.701 3.991 . 0 0 "[ . 1]" 1
933 1 84 LYS HA 1 87 LEU QB 4.000 . 4.500 2.869 2.647 3.296 . 0 0 "[ . 1]" 1
934 1 84 LYS HA 1 87 LEU HG 4.000 . 4.500 3.518 2.549 4.366 . 0 0 "[ . 1]" 1
935 1 84 LYS HA 1 101 TYR QE 4.000 . 4.500 3.708 3.501 4.012 . 0 0 "[ . 1]" 1
936 1 84 LYS QG 1 101 TYR QE 4.000 . 4.500 3.097 2.576 3.812 . 0 0 "[ . 1]" 1
937 1 85 ASN HA 1 88 GLN QB 4.000 . 4.500 3.033 2.482 4.220 . 0 0 "[ . 1]" 1
938 1 85 ASN HA 1 88 GLN QG 3.000 . 3.500 3.235 2.061 3.555 0.055 2 0 "[ . 1]" 1
939 1 86 LEU HA 1 86 LEU MD1 4.000 . 4.500 3.039 2.273 3.596 . 0 0 "[ . 1]" 1
940 1 86 LEU HA 1 86 LEU MD2 3.000 . 3.500 3.509 3.099 3.726 0.226 1 0 "[ . 1]" 1
941 1 86 LEU HA 1 90 ILE MG 5.000 . 5.500 4.293 3.757 4.709 . 0 0 "[ . 1]" 1
942 1 86 LEU QB 1 145 PHE QD 4.000 . 4.500 4.246 3.418 4.529 0.029 3 0 "[ . 1]" 1
943 1 86 LEU QB 1 145 PHE QE 4.000 . 4.500 4.161 2.829 4.512 0.012 2 0 "[ . 1]" 1
944 1 87 LEU HA 1 87 LEU QD . . 3.500 2.122 2.075 2.160 . 0 0 "[ . 1]" 1
945 1 87 LEU HA 1 90 ILE MD 3.000 . 3.500 2.410 2.210 2.970 . 0 0 "[ . 1]" 1
946 1 87 LEU HA 1 90 ILE QG 3.000 . 3.500 2.311 2.196 2.546 . 0 0 "[ . 1]" 1
947 1 87 LEU HA 1 90 ILE MG 4.000 . 4.500 3.700 3.548 3.877 . 0 0 "[ . 1]" 1
948 1 87 LEU QD 1 90 ILE MD 3.000 . 4.000 2.493 2.130 3.230 . 0 0 "[ . 1]" 1
949 1 87 LEU QD 1 101 TYR QE 4.000 . 4.500 2.301 2.112 2.549 . 0 0 "[ . 1]" 1
950 1 87 LEU QD 1 118 VAL QG 3.000 . 4.000 2.548 2.172 2.794 . 0 0 "[ . 1]" 1
951 1 87 LEU QD 1 141 ALA MB 3.000 . 4.000 2.383 1.977 2.793 . 0 0 "[ . 1]" 1
952 1 87 LEU QD 1 144 ALA MB 3.000 . 4.000 2.972 2.732 3.170 . 0 0 "[ . 1]" 1
953 1 87 LEU QD 1 145 PHE HA 4.000 . 4.500 3.891 3.398 4.227 . 0 0 "[ . 1]" 1
954 1 87 LEU QD 1 145 PHE QD 3.000 . 3.500 3.130 2.695 3.473 . 0 0 "[ . 1]" 1
955 1 87 LEU QD 1 148 ILE MD 3.000 . 4.000 3.080 2.673 3.600 . 0 0 "[ . 1]" 1
956 1 88 GLN HA 1 88 GLN QG 3.000 . 3.500 2.588 2.282 3.400 . 0 0 "[ . 1]" 1
957 1 88 GLN HA 1 98 LEU HA 4.000 . 4.500 3.953 3.635 4.353 . 0 0 "[ . 1]" 1
958 1 88 GLN HA 1 98 LEU HG 4.000 . 4.500 3.476 3.080 3.982 . 0 0 "[ . 1]" 1
959 1 88 GLN HA 1 99 PRO QD 3.500 . 4.000 2.745 2.080 3.235 . 0 0 "[ . 1]" 1
960 1 88 GLN HA 1 99 PRO QG 4.000 . 4.000 3.429 2.544 4.016 0.016 5 0 "[ . 1]" 1
961 1 88 GLN QG 1 99 PRO QG 3.500 . 4.000 3.276 2.638 4.094 0.094 10 0 "[ . 1]" 1
962 1 86 LEU QB 1 89 GLU H 4.000 . 4.500 4.663 4.436 4.718 0.218 2 0 "[ . 1]" 1
963 1 86 LEU HG 1 89 GLU H 4.000 . 4.500 4.622 4.289 5.153 0.653 4 1 "[ +. 1]" 1
964 1 89 GLU QB 1 90 ILE HA 4.000 . 4.500 3.902 3.790 4.117 . 0 0 "[ . 1]" 1
965 1 89 GLU HA 1 92 GLN QB 4.000 . 4.500 3.280 2.865 3.563 . 0 0 "[ . 1]" 1
966 1 90 ILE HA 1 90 ILE HB 3.000 . 3.500 2.499 2.470 2.518 . 0 0 "[ . 1]" 1
967 1 90 ILE HA 1 90 ILE MD 4.000 . 5.000 4.082 3.689 4.131 . 0 0 "[ . 1]" 1
968 1 90 ILE HA 1 90 ILE MG 3.000 . 3.500 2.279 2.253 2.351 . 0 0 "[ . 1]" 1
969 1 90 ILE HA 1 93 LYS QB 3.000 . 3.500 2.384 2.260 2.634 . 0 0 "[ . 1]" 1
970 1 90 ILE HA 1 94 GLU QG 3.500 . 4.000 3.408 3.036 3.820 . 0 0 "[ . 1]" 1
971 1 90 ILE MG 1 145 PHE QE 5.000 . 5.500 3.857 2.347 4.864 . 0 0 "[ . 1]" 1
972 1 90 ILE HB 1 148 ILE MG 4.000 . 4.500 4.301 3.776 4.534 0.034 6 0 "[ . 1]" 1
973 1 90 ILE MD 1 148 ILE MD 3.000 . 3.500 2.187 1.991 2.696 . 0 0 "[ . 1]" 1
974 1 90 ILE MG 1 148 ILE MG 3.000 . 4.000 3.648 2.932 4.004 0.004 10 0 "[ . 1]" 1
975 1 91 ALA MB 1 98 LEU HA 3.000 . 3.500 2.199 2.043 2.606 . 0 0 "[ . 1]" 1
976 1 91 ALA MB 1 99 PRO QD 4.000 . 5.000 2.201 2.013 2.320 . 0 0 "[ . 1]" 1
977 1 92 GLN HA 1 95 SER HA 3.000 . 3.500 3.320 3.116 3.523 0.023 10 0 "[ . 1]" 1
978 1 92 GLN HA 1 98 LEU MD1 5.000 . 5.500 3.828 2.790 4.624 . 0 0 "[ . 1]" 1
979 1 94 GLU QB 1 96 SER QB 4.000 . 4.500 2.962 2.500 3.928 . 0 0 "[ . 1]" 1
980 1 96 SER HA 1 121 ALA HA 4.000 . 4.500 4.529 4.503 4.544 0.044 2 0 "[ . 1]" 1
981 1 96 SER QB 1 121 ALA HA 3.000 . 3.500 2.639 2.348 2.887 . 0 0 "[ . 1]" 1
982 1 97 LEU HA 1 98 LEU MD1 4.000 . 4.500 3.171 3.019 3.426 . 0 0 "[ . 1]" 1
983 1 98 LEU QB 1 99 PRO QD 3.000 . 4.000 2.335 2.214 3.019 . 0 0 "[ . 1]" 1
984 1 99 PRO HA 1 120 PHE HA 3.000 . 3.500 2.968 2.699 3.440 . 0 0 "[ . 1]" 1
985 1 99 PRO HA 1 120 PHE QB 4.000 . 4.500 2.504 2.322 2.737 . 0 0 "[ . 1]" 1
986 1 100 PHE QB 1 100 PHE HD1 3.000 . 3.500 2.504 2.444 2.568 . 0 0 "[ . 1]" 1
987 1 100 PHE QB 1 100 PHE HD2 3.000 . 3.500 2.341 2.318 2.378 . 0 0 "[ . 1]" 1
988 1 100 PHE HE2 1 102 ALA HA 4.000 . 4.500 4.232 3.902 4.475 . 0 0 "[ . 1]" 1
989 1 100 PHE HE2 1 102 ALA MB 4.000 . 4.500 2.468 2.224 2.905 . 0 0 "[ . 1]" 1
990 1 101 TYR HA 1 102 ALA MB 4.000 . 4.500 4.001 3.963 4.065 . 0 0 "[ . 1]" 1
991 1 101 TYR HA 1 118 VAL HA 3.000 . 3.500 2.959 2.760 3.255 . 0 0 "[ . 1]" 1
992 1 101 TYR HA 1 118 VAL QG 4.000 . 4.500 3.517 3.326 3.777 . 0 0 "[ . 1]" 1
993 1 101 TYR QE 1 118 VAL QG 4.000 . 4.500 2.867 2.157 3.446 . 0 0 "[ . 1]" 1
994 1 101 TYR QE 1 141 ALA MB 4.000 . 4.500 3.928 3.343 4.314 . 0 0 "[ . 1]" 1
995 1 102 ALA MB 1 117 THR HB 3.000 . 3.500 3.013 2.549 3.516 0.016 1 0 "[ . 1]" 1
996 1 103 THR HA 1 103 THR HB 3.000 . 3.500 2.885 2.315 3.026 . 0 0 "[ . 1]" 1
997 1 103 THR HA 1 103 THR MG 3.000 . 3.500 2.473 2.266 3.167 . 0 0 "[ . 1]" 1
998 1 103 THR MG 1 104 ALA HA 4.000 . 4.500 3.883 3.578 4.500 . 5 0 "[ . 1]" 1
999 1 103 THR HA 1 116 SER HA 3.000 . 3.500 2.379 2.225 2.779 . 0 0 "[ . 1]" 1
1000 1 103 THR MG 1 116 SER HA 4.000 . 4.500 3.780 3.333 4.537 0.037 2 0 "[ . 1]" 1
1001 1 103 THR MG 1 133 LYS QE 4.000 . 4.500 2.695 2.170 4.455 . 0 0 "[ . 1]" 1
1002 1 103 THR MG 1 133 LYS QG 5.000 . 5.500 2.704 2.234 3.837 . 0 0 "[ . 1]" 1
1003 1 105 THR HA 1 105 THR HB 3.000 . 3.500 2.384 2.346 2.492 . 0 0 "[ . 1]" 1
1004 1 105 THR HA 1 105 THR MG 3.000 . 3.500 2.378 2.246 2.414 . 0 0 "[ . 1]" 1
1005 1 105 THR HB 1 106 SER HA 4.000 . 4.500 4.470 4.279 4.515 0.015 4 0 "[ . 1]" 1
1006 1 105 THR HA 1 114 PHE HA 3.000 . 3.500 2.501 2.329 2.651 . 0 0 "[ . 1]" 1
1007 1 105 THR HA 1 114 PHE HD1 3.000 . 3.500 2.488 2.325 2.602 . 0 0 "[ . 1]" 1
1008 1 105 THR HA 1 114 PHE HE1 4.000 . 4.500 4.516 4.479 4.552 0.052 4 0 "[ . 1]" 1
1009 1 105 THR HB 1 114 PHE HD1 3.500 . 4.000 2.872 2.468 3.209 . 0 0 "[ . 1]" 1
1010 1 105 THR HB 1 114 PHE HE1 3.500 . 4.000 3.571 3.303 3.934 . 0 0 "[ . 1]" 1
1011 1 105 THR MG 1 114 PHE HD1 3.000 . 3.500 2.294 2.255 2.324 . 0 0 "[ . 1]" 1
1012 1 105 THR MG 1 114 PHE HE1 4.000 . 4.500 3.532 3.431 3.685 . 0 0 "[ . 1]" 1
1013 1 105 THR MG 1 133 LYS QE 4.000 . 4.500 3.808 2.698 4.504 0.004 8 0 "[ . 1]" 1
1014 1 107 GLY QA 1 108 PRO HA 4.000 . 4.500 4.043 4.035 4.054 . 0 0 "[ . 1]" 1
1015 1 107 GLY QA 1 112 PRO HA 4.000 . 4.500 2.742 2.596 2.872 . 0 0 "[ . 1]" 1
1016 1 107 GLY QA 1 113 THR MG 4.000 . 4.500 3.216 2.892 3.466 . 0 0 "[ . 1]" 1
1017 1 108 PRO HA 1 109 SER HA 4.000 . 4.500 4.356 4.347 4.363 . 0 0 "[ . 1]" 1
1018 1 108 PRO QB 1 110 HIS QB 5.000 . 5.500 2.782 2.724 2.829 . 0 0 "[ . 1]" 1
1019 1 108 PRO QB 1 111 ALA MB 4.000 . 4.500 3.349 3.247 3.423 . 0 0 "[ . 1]" 1
1020 1 108 PRO QG 1 111 ALA MB 4.000 . 4.500 2.145 2.056 2.183 . 0 0 "[ . 1]" 1
1021 1 108 PRO QD 1 112 PRO HA 4.000 . 4.500 3.348 3.061 3.632 . 0 0 "[ . 1]" 1
1022 1 109 SER HA 1 112 PRO QB 4.000 . 4.500 3.740 3.521 4.538 0.038 7 0 "[ . 1]" 1
1023 1 109 SER HA 1 112 PRO QD 4.000 . 4.500 4.127 3.982 4.385 . 0 0 "[ . 1]" 1
1024 1 109 SER HA 1 112 PRO QG 4.000 . 4.500 4.028 3.237 4.406 . 0 0 "[ . 1]" 1
1025 1 110 HIS HA 1 112 PRO QG 5.000 . 5.500 5.118 4.779 5.187 . 0 0 "[ . 1]" 1
1026 1 108 PRO QB 1 111 ALA HA 4.000 . 4.500 4.923 4.885 4.958 0.458 10 0 "[ . 1]" 1
1027 1 108 PRO QG 1 111 ALA HA 4.000 . 4.500 3.831 3.745 3.936 . 0 0 "[ . 1]" 1
1028 1 111 ALA HA 1 112 PRO QB 5.000 . 5.500 4.816 4.763 4.832 . 0 0 "[ . 1]" 1
1029 1 111 ALA HA 1 112 PRO QD 3.000 . 3.500 2.148 2.116 2.167 . 0 0 "[ . 1]" 1
1030 1 111 ALA MB 1 112 PRO HA 4.000 . 5.000 4.444 4.412 4.559 . 0 0 "[ . 1]" 1
1031 1 111 ALA MB 1 113 THR MG 5.000 . 5.500 3.482 3.324 3.691 . 0 0 "[ . 1]" 1
1032 1 112 PRO QB 1 114 PHE HD1 5.000 . 5.500 4.518 4.364 4.655 . 0 0 "[ . 1]" 1
1033 1 112 PRO QB 1 114 PHE HE1 3.000 . 3.500 3.102 2.709 3.377 . 0 0 "[ . 1]" 1
1034 1 112 PRO QD 1 131 LYS QD 5.000 . 5.500 4.067 3.226 4.831 . 0 0 "[ . 1]" 1
1035 1 113 THR HA 1 114 PHE HD2 4.000 . 4.500 4.053 4.015 4.236 . 0 0 "[ . 1]" 1
1036 1 113 THR HA 1 114 PHE HD1 4.000 . 4.500 4.579 4.548 4.605 0.105 6 0 "[ . 1]" 1
1037 1 113 THR HA 1 114 PHE HE2 5.000 . 5.500 4.125 4.058 4.414 . 0 0 "[ . 1]" 1
1038 1 113 THR HA 1 114 PHE HE1 5.000 . 5.500 4.672 4.604 4.746 . 0 0 "[ . 1]" 1
1039 1 113 THR HB 1 114 PHE H 3.000 . 3.500 2.372 2.240 2.760 . 0 0 "[ . 1]" 1
1040 1 113 THR HA 1 131 LYS HA 3.000 . 3.500 2.336 2.281 2.425 . 0 0 "[ . 1]" 1
1041 1 113 THR HB 1 131 LYS HA 4.000 . 4.500 3.527 3.054 4.325 . 0 0 "[ . 1]" 1
1042 1 113 THR MG 1 131 LYS HA 4.000 . 4.500 3.237 2.954 3.590 . 0 0 "[ . 1]" 1
1043 1 113 THR MG 1 131 LYS QG 4.000 . 4.500 3.074 2.199 4.524 0.024 7 0 "[ . 1]" 1
1044 1 114 PHE HD2 1 131 LYS HA 3.000 . 3.500 3.506 3.375 3.549 0.049 7 0 "[ . 1]" 1
1045 1 114 PHE HE2 1 131 LYS HA 3.000 . 3.500 3.114 2.770 3.311 . 0 0 "[ . 1]" 1
1046 1 114 PHE HE2 1 131 LYS QG 4.000 . 4.500 3.845 3.056 4.558 0.058 6 0 "[ . 1]" 1
1047 1 114 PHE HD2 1 132 THR HA 3.000 . 3.500 3.027 2.605 3.505 0.005 1 0 "[ . 1]" 1
1048 1 114 PHE HE2 1 132 THR HA 3.000 . 3.500 2.573 2.367 3.020 . 0 0 "[ . 1]" 1
1049 1 114 PHE QB 1 133 LYS HA 3.500 . 4.000 3.305 3.020 3.735 . 0 0 "[ . 1]" 1
1050 1 114 PHE QB 1 136 ALA MB 5.000 . 5.500 3.194 2.852 3.553 . 0 0 "[ . 1]" 1
1051 1 115 THR MG 1 116 SER HA 5.000 . 5.500 3.846 3.774 3.958 . 0 0 "[ . 1]" 1
1052 1 115 THR HA 1 129 GLU HA 3.000 . 3.500 3.308 2.976 3.542 0.042 1 0 "[ . 1]" 1
1053 1 115 THR HA 1 136 ALA MB 4.000 . 4.500 2.974 2.700 3.343 . 0 0 "[ . 1]" 1
1054 1 116 SER QB 1 136 ALA MB 4.000 . 4.500 2.333 2.026 2.984 . 0 0 "[ . 1]" 1
1055 1 116 SER QB 1 137 GLU HA 3.000 . 3.500 2.657 2.316 2.936 . 0 0 "[ . 1]" 1
1056 1 117 THR HA 1 117 THR HB 3.000 . 3.500 2.993 2.670 3.032 . 0 0 "[ . 1]" 1
1057 1 117 THR MG 1 124 VAL MG2 3.000 . 3.500 1.890 1.774 2.649 0.026 6 0 "[ . 1]" 1
1058 1 117 THR HA 1 126 SER HA 3.000 . 3.500 3.056 2.783 3.264 . 0 0 "[ . 1]" 1
1059 1 117 THR MG 1 126 SER HA 3.500 . 4.000 2.946 2.281 3.549 . 0 0 "[ . 1]" 1
1060 1 101 TYR QD 1 118 VAL QG 4.000 . 4.500 3.245 2.693 3.649 . 0 0 "[ . 1]" 1
1061 1 118 VAL QG 1 120 PHE QE 4.000 . 4.500 2.638 2.351 3.016 . 0 0 "[ . 1]" 1
1062 1 118 VAL QG 1 125 PHE QB 4.000 . 4.500 2.092 2.008 2.195 . 0 0 "[ . 1]" 1
1063 1 118 VAL QG 1 125 PHE HD1 4.000 . 4.500 2.818 2.611 3.135 . 0 0 "[ . 1]" 1
1064 1 118 VAL HB 1 140 ALA MB 4.000 . 5.000 3.164 2.524 3.833 . 0 0 "[ . 1]" 1
1065 1 118 VAL QG 1 140 ALA MB 4.000 . 4.500 2.825 2.514 3.035 . 0 0 "[ . 1]" 1
1066 1 118 VAL QG 1 141 ALA HA 4.000 . 4.500 3.437 3.004 3.741 . 0 0 "[ . 1]" 1
1067 1 118 VAL HB 1 144 ALA MB 4.000 . 4.500 4.507 4.267 4.610 0.110 8 0 "[ . 1]" 1
1068 1 118 VAL QG 1 144 ALA MB 4.000 . 4.500 2.352 2.143 2.412 . 0 0 "[ . 1]" 1
1069 1 119 GLU HA 1 119 GLU QG 3.000 . 3.500 2.305 2.271 2.326 . 0 0 "[ . 1]" 1
1070 1 119 GLU QG 1 120 PHE HA 5.000 . 5.500 3.881 3.363 5.034 . 0 0 "[ . 1]" 1
1071 1 119 GLU HA 1 124 VAL HA 3.000 . 3.500 2.242 2.163 2.295 . 0 0 "[ . 1]" 1
1072 1 119 GLU HA 1 124 VAL HB 4.000 . 4.500 3.706 3.308 4.192 . 0 0 "[ . 1]" 1
1073 1 119 GLU HA 1 124 VAL MG2 4.000 . 4.500 3.331 3.226 3.487 . 0 0 "[ . 1]" 1
1074 1 119 GLU QB 1 124 VAL HA 4.000 . 4.500 3.538 3.160 3.865 . 0 0 "[ . 1]" 1
1075 1 119 GLU QG 1 124 VAL HA 4.000 . 4.500 3.086 2.836 3.281 . 0 0 "[ . 1]" 1
1076 1 119 GLU HA 1 125 PHE HD1 4.000 . 4.500 3.883 3.417 4.253 . 0 0 "[ . 1]" 1
1077 1 120 PHE QD 1 121 ALA MB 3.000 . 3.500 2.170 2.068 2.298 . 0 0 "[ . 1]" 1
1078 1 120 PHE QE 1 121 ALA MB 3.000 . 3.500 2.995 2.740 3.399 . 0 0 "[ . 1]" 1
1079 1 120 PHE QE 1 144 ALA HA 3.000 . 3.500 3.454 2.950 3.530 0.030 6 0 "[ . 1]" 1
1080 1 120 PHE QE 1 144 ALA MB 3.000 . 3.500 2.064 2.027 2.132 . 0 0 "[ . 1]" 1
1081 1 120 PHE QE 1 148 ILE QG 3.000 . 3.500 2.387 2.271 2.526 . 0 0 "[ . 1]" 1
1082 1 123 LYS HA 1 123 LYS QG 3.000 . 3.500 2.295 2.264 2.314 . 0 0 "[ . 1]" 1
1083 1 123 LYS QB 1 125 PHE HE1 3.000 . 3.500 2.159 2.042 2.285 . 0 0 "[ . 1]" 1
1084 1 123 LYS QD 1 125 PHE HE1 3.000 . 3.500 3.449 3.125 3.594 0.094 6 0 "[ . 1]" 1
1085 1 124 VAL MG1 1 125 PHE HA 4.000 . 4.500 3.976 3.519 4.105 . 0 0 "[ . 1]" 1
1086 1 125 PHE HA 1 143 VAL MG1 4.000 . 4.500 4.170 3.269 4.388 . 0 0 "[ . 1]" 1
1087 1 125 PHE HA 1 143 VAL MG2 4.000 . 4.500 4.479 4.263 4.639 0.139 8 0 "[ . 1]" 1
1088 1 125 PHE HD2 1 143 VAL MG1 4.000 . 4.500 3.175 2.092 3.698 . 0 0 "[ . 1]" 1
1089 1 125 PHE HD2 1 143 VAL MG2 4.000 . 4.500 2.672 2.312 4.121 . 0 0 "[ . 1]" 1
1090 1 125 PHE HD2 1 144 ALA HA 3.000 . 3.500 2.863 2.695 3.053 . 0 0 "[ . 1]" 1
1091 1 125 PHE HE2 1 144 ALA HA 3.500 . 4.000 3.552 3.282 3.939 . 0 0 "[ . 1]" 1
1092 1 125 PHE HD2 1 147 SER QB 4.000 . 4.500 3.254 2.929 3.661 . 0 0 "[ . 1]" 1
1093 1 125 PHE HE2 1 147 SER QB 3.000 . 3.500 2.177 2.091 2.279 . 0 0 "[ . 1]" 1
1094 1 127 GLY QA 1 140 ALA HA 4.000 . 4.500 2.174 2.094 2.389 . 0 0 "[ . 1]" 1
1095 1 128 GLU QG 1 135 LEU MD2 4.000 . 5.000 3.875 2.587 4.804 . 0 0 "[ . 1]" 1
1096 1 128 GLU QG 1 136 ALA HA 4.000 . 4.500 3.934 2.329 4.573 0.073 9 0 "[ . 1]" 1
1097 1 130 ALA MB 1 135 LEU QB 4.000 . 4.500 2.313 1.895 2.851 . 0 0 "[ . 1]" 1
1098 1 130 ALA MB 1 135 LEU MD2 3.000 . 4.000 2.246 2.083 2.614 . 0 0 "[ . 1]" 1
1099 1 132 THR MG 1 135 LEU QB 4.000 . 4.500 2.537 1.866 4.084 . 0 0 "[ . 1]" 1
1100 1 132 THR MG 1 135 LEU MD1 3.000 . 3.500 3.138 2.004 3.539 0.039 6 0 "[ . 1]" 1
1101 1 132 THR MG 1 135 LEU MD2 3.000 . 3.500 2.914 2.357 3.499 . 0 0 "[ . 1]" 1
1102 1 133 LYS HA 1 133 LYS QE 5.000 . 5.500 4.301 3.865 4.621 . 0 0 "[ . 1]" 1
1103 1 133 LYS HA 1 133 LYS QG 3.000 . 3.500 2.277 2.205 2.341 . 0 0 "[ . 1]" 1
1104 1 133 LYS QB 1 133 LYS QE 4.000 . 4.500 3.166 2.122 3.796 . 0 0 "[ . 1]" 1
1105 1 133 LYS QG 1 137 GLU QG 4.000 . 4.500 4.122 2.576 4.553 0.053 4 0 "[ . 1]" 1
1106 1 134 LYS HA 1 134 LYS QD 4.000 . 4.500 3.668 2.160 4.461 . 0 0 "[ . 1]" 1
1107 1 134 LYS HA 1 134 LYS QG 3.000 . 3.500 2.616 2.268 3.294 . 0 0 "[ . 1]" 1
1108 1 134 LYS QB 1 134 LYS QD 3.000 . 3.500 2.183 2.127 2.256 . 0 0 "[ . 1]" 1
1109 1 134 LYS HA 1 137 GLU QB 3.000 . 3.500 3.268 3.030 3.462 . 0 0 "[ . 1]" 1
1110 1 135 LEU HA 1 135 LEU MD1 3.000 . 3.500 2.265 2.133 2.420 . 0 0 "[ . 1]" 1
1111 1 135 LEU HA 1 135 LEU MD2 4.000 . 4.500 3.762 3.741 3.772 . 0 0 "[ . 1]" 1
1112 1 135 LEU HA 1 135 LEU HG 3.000 . 3.500 2.461 2.378 2.645 . 0 0 "[ . 1]" 1
1113 1 135 LEU QB 1 135 LEU MD1 3.000 . 3.500 2.236 2.136 2.333 . 0 0 "[ . 1]" 1
1114 1 135 LEU QB 1 135 LEU MD2 3.000 . 3.500 2.105 2.078 2.125 . 0 0 "[ . 1]" 1
1115 1 135 LEU HA 1 138 MET QB 4.000 . 4.500 2.326 2.244 2.556 . 0 0 "[ . 1]" 1
1116 1 136 ALA HA 1 139 SER QB 3.000 . 3.500 3.091 2.894 3.178 . 0 0 "[ . 1]" 1
1117 1 137 GLU HA 1 137 GLU QG 3.000 . 3.500 2.427 2.260 2.865 . 0 0 "[ . 1]" 1
1118 1 137 GLU HA 1 140 ALA MB 4.000 . 4.500 2.559 2.409 2.708 . 0 0 "[ . 1]" 1
1119 1 127 GLY QA 1 140 ALA MB 4.000 . 4.500 2.391 2.239 2.654 . 0 0 "[ . 1]" 1
1120 1 145 PHE HA 1 145 PHE QD 3.000 . 3.500 2.839 2.688 3.044 . 0 0 "[ . 1]" 1
1121 1 145 PHE HA 1 148 ILE HB 4.000 . 4.500 2.888 2.794 2.996 . 0 0 "[ . 1]" 1
1122 1 145 PHE HA 1 148 ILE MD 3.000 . 3.500 2.330 2.249 2.498 . 0 0 "[ . 1]" 1
1123 1 145 PHE QD 1 149 LYS QD 4.000 . 4.500 2.980 2.586 3.657 . 0 0 "[ . 1]" 1
1124 1 145 PHE QD 1 149 LYS QG 4.000 . 4.500 3.674 2.988 4.259 . 0 0 "[ . 1]" 1
1125 1 145 PHE QE 1 149 LYS QD 3.000 . 3.500 2.733 2.315 3.150 . 0 0 "[ . 1]" 1
1126 1 145 PHE QE 1 149 LYS QG 3.000 . 3.500 3.367 2.894 3.489 . 0 0 "[ . 1]" 1
1127 1 146 MET HA 1 149 LYS QB 4.000 . 4.500 3.074 2.497 3.736 . 0 0 "[ . 1]" 1
1128 1 146 MET HA 1 149 LYS QD 3.000 . 3.500 2.822 2.152 3.322 . 0 0 "[ . 1]" 1
1129 1 146 MET HA 1 149 LYS QG 3.000 . 3.500 3.208 2.299 3.630 0.130 6 0 "[ . 1]" 1
1130 1 149 LYS HA 1 149 LYS QD 4.000 . 4.500 3.508 2.303 4.144 . 0 0 "[ . 1]" 1
1131 1 149 LYS HA 1 149 LYS QE 5.000 . 5.500 3.903 3.238 4.640 . 0 0 "[ . 1]" 1
1132 1 149 LYS HA 1 149 LYS QG 3.000 . 3.500 2.300 2.235 2.366 . 0 0 "[ . 1]" 1
1133 1 149 LYS QB 1 149 LYS QD 3.000 . 3.500 2.280 2.087 2.376 . 0 0 "[ . 1]" 1
1134 1 149 LYS QB 1 149 LYS QE 3.000 . 3.500 2.767 2.016 3.681 0.181 6 0 "[ . 1]" 1
1135 1 149 LYS QE 1 149 LYS QG 3.000 . 3.500 2.207 2.098 2.390 . 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 126
_Distance_constraint_stats_list.Viol_count 215
_Distance_constraint_stats_list.Viol_total 135.381
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0311
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_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 5 TYR 0.000 0.000 . 0 "[ . 1]"
1 6 LYS 0.008 0.008 7 0 "[ . 1]"
1 7 GLY 0.078 0.044 4 0 "[ . 1]"
1 8 GLN 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.000 0.000 . 0 "[ . 1]"
1 10 GLN 0.012 0.008 7 0 "[ . 1]"
1 11 ALA 0.125 0.047 2 0 "[ . 1]"
1 12 TYR 0.121 0.069 10 0 "[ . 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.004 0.004 5 0 "[ . 1]"
1 15 GLN 0.047 0.047 2 0 "[ . 1]"
1 16 HIS 0.121 0.069 10 0 "[ . 1]"
1 22 VAL 0.520 0.072 9 0 "[ . 1]"
1 24 ALA 0.352 0.081 7 0 "[ . 1]"
1 26 GLU 1.427 0.193 7 0 "[ . 1]"
1 28 GLU 1.545 0.149 8 0 "[ . 1]"
1 35 ARG 1.545 0.149 8 0 "[ . 1]"
1 36 PHE 0.108 0.062 5 0 "[ . 1]"
1 37 ARG 1.427 0.193 7 0 "[ . 1]"
1 39 ASN 0.352 0.081 7 0 "[ . 1]"
1 40 VAL 1.064 0.135 9 0 "[ . 1]"
1 41 THR 0.520 0.072 9 0 "[ . 1]"
1 47 PHE 1.064 0.135 9 0 "[ . 1]"
1 53 PHE 0.108 0.062 5 0 "[ . 1]"
1 56 LEU 0.278 0.074 7 0 "[ . 1]"
1 57 LYS 0.244 0.077 10 0 "[ . 1]"
1 58 SER 0.000 0.000 . 0 "[ . 1]"
1 59 ALA 0.332 0.077 4 0 "[ . 1]"
1 60 GLU 0.278 0.074 7 0 "[ . 1]"
1 61 HIS 0.286 0.077 10 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 ALA 0.732 0.099 8 0 "[ . 1]"
1 64 ALA 0.880 0.161 2 0 "[ . 1]"
1 65 LYS 0.082 0.042 9 0 "[ . 1]"
1 66 ILE 0.258 0.085 1 0 "[ . 1]"
1 67 ALA 0.412 0.099 8 0 "[ . 1]"
1 68 VAL 1.680 0.170 10 0 "[ . 1]"
1 69 ALA 0.040 0.018 10 0 "[ . 1]"
1 70 SER 0.258 0.085 1 0 "[ . 1]"
1 71 LEU 0.012 0.012 7 0 "[ . 1]"
1 72 THR 0.800 0.170 10 0 "[ . 1]"
1 83 TYR 0.100 0.066 4 0 "[ . 1]"
1 84 LYS 0.069 0.033 4 0 "[ . 1]"
1 85 ASN 0.033 0.017 5 0 "[ . 1]"
1 86 LEU 0.000 0.000 . 0 "[ . 1]"
1 87 LEU 0.217 0.073 3 0 "[ . 1]"
1 88 GLN 0.124 0.044 2 0 "[ . 1]"
1 89 GLU 0.159 0.075 8 0 "[ . 1]"
1 90 ILE 0.926 0.149 10 0 "[ . 1]"
1 91 ALA 0.118 0.073 3 0 "[ . 1]"
1 92 GLN 0.055 0.044 2 0 "[ . 1]"
1 93 LYS 0.126 0.075 8 0 "[ . 1]"
1 94 GLU 0.926 0.149 10 0 "[ . 1]"
1 100 PHE 1.310 0.197 7 0 "[ . 1]"
1 102 ALA 0.007 0.007 3 0 "[ . 1]"
1 104 ALA 0.022 0.015 1 0 "[ . 1]"
1 115 THR 0.022 0.015 1 0 "[ . 1]"
1 117 THR 0.007 0.007 3 0 "[ . 1]"
1 118 VAL 0.773 0.149 10 0 "[ . 1]"
1 119 GLU 1.310 0.197 7 0 "[ . 1]"
1 120 PHE 0.957 0.139 2 0 "[ . 1]"
1 123 LYS 0.957 0.139 2 0 "[ . 1]"
1 125 PHE 0.773 0.149 10 0 "[ . 1]"
1 133 LYS 0.000 0.000 . 0 "[ . 1]"
1 134 LYS 0.000 0.000 . 0 "[ . 1]"
1 135 LEU 0.158 0.066 10 0 "[ . 1]"
1 136 ALA 0.000 0.000 . 0 "[ . 1]"
1 137 GLU 0.000 0.000 . 0 "[ . 1]"
1 138 MET 0.002 0.002 8 0 "[ . 1]"
1 139 SER 0.332 0.130 8 0 "[ . 1]"
1 140 ALA 0.019 0.019 8 0 "[ . 1]"
1 141 ALA 0.000 0.000 . 0 "[ . 1]"
1 142 LYS 0.002 0.002 8 0 "[ . 1]"
1 143 VAL 0.174 0.130 8 0 "[ . 1]"
1 144 ALA 0.051 0.032 8 0 "[ . 1]"
1 145 PHE 0.098 0.066 8 0 "[ . 1]"
1 146 MET 0.000 0.000 . 0 "[ . 1]"
1 147 SER 0.000 0.000 . 0 "[ . 1]"
1 148 ILE 0.032 0.032 8 0 "[ . 1]"
1 149 LYS 0.098 0.066 8 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 5 TYR O 1 9 LEU H 2.150 . 2.500 2.075 1.907 2.203 . 0 0 "[ . 1]" 2
2 1 5 TYR O 1 9 LEU N 2.900 2.500 3.300 3.040 2.872 3.154 . 0 0 "[ . 1]" 2
3 1 6 LYS O 1 10 GLN H 2.150 . 2.500 1.916 1.792 2.014 0.008 7 0 "[ . 1]" 2
4 1 6 LYS O 1 10 GLN N 2.900 2.500 3.300 2.836 2.693 2.937 . 0 0 "[ . 1]" 2
5 1 7 GLY O 1 11 ALA H 2.150 . 2.500 2.446 2.317 2.544 0.044 4 0 "[ . 1]" 2
6 1 7 GLY O 1 11 ALA N 2.900 2.500 3.300 3.256 3.157 3.325 0.025 9 0 "[ . 1]" 2
7 1 8 GLN O 1 12 TYR H 2.150 . 2.500 2.167 1.891 2.432 . 0 0 "[ . 1]" 2
8 1 8 GLN O 1 12 TYR N 2.900 2.500 3.300 3.064 2.799 3.283 . 0 0 "[ . 1]" 2
9 1 9 LEU O 1 13 ALA H 2.150 . 2.500 2.116 1.901 2.233 . 0 0 "[ . 1]" 2
10 1 9 LEU O 1 13 ALA N 2.900 2.500 3.300 3.080 2.879 3.182 . 0 0 "[ . 1]" 2
11 1 10 GLN O 1 14 LEU H 2.150 . 2.500 2.271 1.921 2.436 . 0 0 "[ . 1]" 2
12 1 10 GLN O 1 14 LEU N 2.900 2.500 3.300 3.156 2.804 3.304 0.004 5 0 "[ . 1]" 2
13 1 11 ALA O 1 15 GLN H 2.150 . 2.500 2.203 1.829 2.496 . 0 0 "[ . 1]" 2
14 1 11 ALA O 1 15 GLN N 2.900 2.500 3.300 3.105 2.750 3.347 0.047 2 0 "[ . 1]" 2
15 1 12 TYR O 1 16 HIS H 2.150 . 2.500 1.903 1.731 2.288 0.069 10 0 "[ . 1]" 2
16 1 12 TYR O 1 16 HIS N 2.900 2.500 3.300 2.838 2.665 3.180 . 0 0 "[ . 1]" 2
17 1 22 VAL O 1 41 THR H 2.150 . 2.500 1.756 1.728 1.806 0.072 9 0 "[ . 1]" 2
18 1 22 VAL O 1 41 THR N 2.900 2.500 3.300 2.706 2.681 2.763 . 0 0 "[ . 1]" 2
19 1 24 ALA O 1 39 ASN H 2.150 . 2.500 2.188 1.804 2.534 0.034 9 0 "[ . 1]" 2
20 1 24 ALA O 1 39 ASN N 2.900 2.500 3.300 3.022 2.730 3.308 0.008 9 0 "[ . 1]" 2
21 1 26 GLU O 1 37 ARG H 2.150 . 2.500 2.349 2.156 2.497 . 0 0 "[ . 1]" 2
22 1 26 GLU O 1 37 ARG N 2.900 2.500 3.300 3.104 2.983 3.225 . 0 0 "[ . 1]" 2
23 1 28 GLU O 1 35 ARG H 2.150 . 2.500 2.634 2.613 2.649 0.149 8 0 "[ . 1]" 2
24 1 28 GLU O 1 35 ARG N 2.900 2.500 3.300 3.319 3.292 3.346 0.046 5 0 "[ . 1]" 2
25 1 28 GLU H 1 35 ARG O 2.150 . 2.500 2.263 2.193 2.305 . 0 0 "[ . 1]" 2
26 1 28 GLU N 1 35 ARG O 2.900 2.500 3.300 3.236 3.171 3.270 . 0 0 "[ . 1]" 2
27 1 26 GLU H 1 37 ARG O 2.150 . 2.500 2.643 2.556 2.693 0.193 7 0 "[ . 1]" 2
28 1 26 GLU N 1 37 ARG O 2.900 2.500 3.300 3.187 3.136 3.261 . 0 0 "[ . 1]" 2
29 1 24 ALA H 1 39 ASN O 2.150 . 2.500 1.783 1.719 1.876 0.081 7 0 "[ . 1]" 2
30 1 24 ALA N 1 39 ASN O 2.900 2.500 3.300 2.718 2.622 2.804 . 0 0 "[ . 1]" 2
31 1 22 VAL H 1 41 THR O 2.150 . 2.500 2.324 2.278 2.415 . 0 0 "[ . 1]" 2
32 1 22 VAL N 1 41 THR O 2.900 2.500 3.300 3.289 3.256 3.369 0.069 9 0 "[ . 1]" 2
33 1 40 VAL O 1 47 PHE H 2.150 . 2.500 2.262 2.134 2.436 . 0 0 "[ . 1]" 2
34 1 40 VAL O 1 47 PHE N 2.900 2.500 3.300 3.160 3.032 3.345 0.045 4 0 "[ . 1]" 2
35 1 40 VAL H 1 47 PHE O 2.150 . 2.500 2.459 2.400 2.512 0.012 9 0 "[ . 1]" 2
36 1 40 VAL N 1 47 PHE O 2.900 2.500 3.300 3.401 3.353 3.435 0.135 9 0 "[ . 1]" 2
37 1 36 PHE H 1 53 PHE O 2.150 . 2.500 2.326 2.247 2.418 . 0 0 "[ . 1]" 2
38 1 36 PHE N 1 53 PHE O 2.900 2.500 3.300 3.253 3.180 3.362 0.062 5 0 "[ . 1]" 2
39 1 56 LEU O 1 60 GLU H 2.150 . 2.500 2.383 2.269 2.462 . 0 0 "[ . 1]" 2
40 1 56 LEU O 1 60 GLU N 2.900 2.500 3.300 3.310 3.208 3.374 0.074 7 0 "[ . 1]" 2
41 1 57 LYS O 1 61 HIS H 2.150 . 2.500 1.791 1.723 1.883 0.077 10 0 "[ . 1]" 2
42 1 57 LYS O 1 61 HIS N 2.900 2.500 3.300 2.742 2.670 2.844 . 0 0 "[ . 1]" 2
43 1 58 SER O 1 62 ALA H 2.150 . 2.500 2.008 1.813 2.125 . 0 0 "[ . 1]" 2
44 1 58 SER O 1 62 ALA N 2.900 2.500 3.300 2.926 2.737 3.064 . 0 0 "[ . 1]" 2
45 1 59 ALA O 1 63 ALA H 2.150 . 2.500 1.767 1.723 1.801 0.077 4 0 "[ . 1]" 2
46 1 59 ALA O 1 63 ALA N 2.900 2.500 3.300 2.691 2.671 2.730 . 0 0 "[ . 1]" 2
47 1 60 GLU O 1 64 ALA H 2.150 . 2.500 2.103 1.990 2.192 . 0 0 "[ . 1]" 2
48 1 60 GLU O 1 64 ALA N 2.900 2.500 3.300 3.077 2.965 3.169 . 0 0 "[ . 1]" 2
49 1 61 HIS O 1 65 LYS H 2.150 . 2.500 2.002 1.758 2.248 0.042 9 0 "[ . 1]" 2
50 1 61 HIS O 1 65 LYS N 2.900 2.500 3.300 2.882 2.655 3.079 . 0 0 "[ . 1]" 2
51 1 62 ALA O 1 66 ILE H 2.150 . 2.500 2.140 1.947 2.235 . 0 0 "[ . 1]" 2
52 1 62 ALA O 1 66 ILE N 2.900 2.500 3.300 3.022 2.888 3.146 . 0 0 "[ . 1]" 2
53 1 63 ALA O 1 67 ALA H 2.150 . 2.500 2.442 2.382 2.481 . 0 0 "[ . 1]" 2
54 1 63 ALA O 1 67 ALA N 2.900 2.500 3.300 3.336 3.274 3.399 0.099 8 0 "[ . 1]" 2
55 1 64 ALA O 1 68 VAL H 2.150 . 2.500 1.712 1.639 1.793 0.161 2 0 "[ . 1]" 2
56 1 64 ALA O 1 68 VAL N 2.900 2.500 3.300 2.682 2.601 2.766 . 0 0 "[ . 1]" 2
57 1 65 LYS O 1 69 ALA H 2.150 . 2.500 2.101 1.784 2.416 0.016 7 0 "[ . 1]" 2
58 1 65 LYS O 1 69 ALA N 2.900 2.500 3.300 2.976 2.708 3.318 0.018 10 0 "[ . 1]" 2
59 1 66 ILE O 1 70 SER H 2.150 . 2.500 2.506 2.387 2.585 0.085 1 0 "[ . 1]" 2
60 1 66 ILE O 1 70 SER N 2.900 2.500 3.300 3.132 3.028 3.230 . 0 0 "[ . 1]" 2
61 1 67 ALA O 1 71 LEU H 2.150 . 2.500 2.081 1.788 2.463 0.012 7 0 "[ . 1]" 2
62 1 67 ALA O 1 71 LEU N 2.900 2.500 3.300 2.959 2.697 3.267 . 0 0 "[ . 1]" 2
63 1 68 VAL O 1 72 THR H 2.150 . 2.500 2.437 2.155 2.665 0.165 10 0 "[ . 1]" 2
64 1 68 VAL O 1 72 THR N 2.900 2.500 3.300 3.275 3.001 3.470 0.170 10 0 "[ . 1]" 2
65 1 83 TYR O 1 87 LEU H 2.150 . 2.500 1.940 1.734 2.095 0.066 4 0 "[ . 1]" 2
66 1 83 TYR O 1 87 LEU N 2.900 2.500 3.300 2.898 2.657 3.038 . 0 0 "[ . 1]" 2
67 1 84 LYS O 1 88 GLN H 2.150 . 2.500 2.313 2.035 2.533 0.033 4 0 "[ . 1]" 2
68 1 84 LYS O 1 88 GLN N 2.900 2.500 3.300 3.158 2.995 3.322 0.022 3 0 "[ . 1]" 2
69 1 85 ASN O 1 89 GLU H 2.150 . 2.500 2.213 1.797 2.517 0.017 5 0 "[ . 1]" 2
70 1 85 ASN O 1 89 GLU N 2.900 2.500 3.300 2.963 2.555 3.251 . 0 0 "[ . 1]" 2
71 1 86 LEU O 1 90 ILE H 2.150 . 2.500 2.153 1.923 2.313 . 0 0 "[ . 1]" 2
72 1 86 LEU O 1 90 ILE N 2.900 2.500 3.300 3.096 2.897 3.241 . 0 0 "[ . 1]" 2
73 1 87 LEU O 1 91 ALA H 2.150 . 2.500 2.334 2.190 2.443 . 0 0 "[ . 1]" 2
74 1 87 LEU O 1 91 ALA N 2.900 2.500 3.300 3.234 3.101 3.373 0.073 3 0 "[ . 1]" 2
75 1 88 GLN O 1 92 GLN H 2.150 . 2.500 2.190 1.865 2.395 . 0 0 "[ . 1]" 2
76 1 88 GLN O 1 92 GLN N 2.900 2.500 3.300 3.139 2.809 3.344 0.044 2 0 "[ . 1]" 2
77 1 89 GLU O 1 93 LYS H 2.150 . 2.500 2.020 1.725 2.297 0.075 8 0 "[ . 1]" 2
78 1 89 GLU O 1 93 LYS N 2.900 2.500 3.300 2.949 2.637 3.228 . 0 0 "[ . 1]" 2
79 1 90 ILE O 1 94 GLU H 2.150 . 2.500 1.707 1.651 1.779 0.149 10 0 "[ . 1]" 2
80 1 90 ILE O 1 94 GLU N 2.900 2.500 3.300 2.659 2.581 2.714 . 0 0 "[ . 1]" 2
81 1 100 PHE O 1 119 GLU H 2.150 . 2.500 2.441 2.306 2.544 0.044 2 0 "[ . 1]" 2
82 1 100 PHE O 1 119 GLU N 2.900 2.500 3.300 3.262 3.147 3.346 0.046 3 0 "[ . 1]" 2
83 1 102 ALA O 1 117 THR H 2.150 . 2.500 1.980 1.793 2.196 0.007 3 0 "[ . 1]" 2
84 1 102 ALA O 1 117 THR N 2.900 2.500 3.300 2.912 2.725 3.174 . 0 0 "[ . 1]" 2
85 1 104 ALA O 1 115 THR H 2.150 . 2.500 1.933 1.793 2.038 0.007 9 0 "[ . 1]" 2
86 1 104 ALA O 1 115 THR N 2.900 2.500 3.300 2.880 2.755 3.007 . 0 0 "[ . 1]" 2
87 1 100 PHE H 1 119 GLU O 2.150 . 2.500 2.573 2.276 2.697 0.197 7 0 "[ . 1]" 2
88 1 100 PHE N 1 119 GLU O 2.900 2.500 3.300 3.144 2.918 3.259 . 0 0 "[ . 1]" 2
89 1 102 ALA H 1 117 THR O 2.150 . 2.500 2.164 1.984 2.472 . 0 0 "[ . 1]" 2
90 1 102 ALA N 1 117 THR O 2.900 2.500 3.300 3.069 2.941 3.280 . 0 0 "[ . 1]" 2
91 1 104 ALA H 1 115 THR O 2.150 . 2.500 1.910 1.785 2.082 0.015 1 0 "[ . 1]" 2
92 1 104 ALA N 1 115 THR O 2.900 2.500 3.300 2.878 2.758 3.053 . 0 0 "[ . 1]" 2
93 1 120 PHE O 1 123 LYS H 2.150 . 2.500 1.994 1.661 2.470 0.139 2 0 "[ . 1]" 2
94 1 120 PHE O 1 123 LYS N 2.900 2.500 3.300 2.926 2.588 3.396 0.096 5 0 "[ . 1]" 2
95 1 118 VAL O 1 125 PHE H 2.150 . 2.500 2.162 2.047 2.515 0.015 8 0 "[ . 1]" 2
96 1 118 VAL O 1 125 PHE N 2.900 2.500 3.300 3.011 2.945 3.099 . 0 0 "[ . 1]" 2
97 1 120 PHE H 1 123 LYS O 2.150 . 2.500 2.030 1.778 2.162 0.022 3 0 "[ . 1]" 2
98 1 120 PHE N 1 123 LYS O 2.900 2.500 3.300 2.892 2.748 2.989 . 0 0 "[ . 1]" 2
99 1 118 VAL H 1 125 PHE O 2.150 . 2.500 2.412 2.343 2.481 . 0 0 "[ . 1]" 2
100 1 118 VAL N 1 125 PHE O 2.900 2.500 3.300 3.376 3.305 3.449 0.149 10 0 "[ . 1]" 2
101 1 133 LYS O 1 137 GLU H 2.150 . 2.500 2.048 1.834 2.308 . 0 0 "[ . 1]" 2
102 1 133 LYS O 1 137 GLU N 2.900 2.500 3.300 3.017 2.811 3.248 . 0 0 "[ . 1]" 2
103 1 134 LYS O 1 138 MET H 2.150 . 2.500 1.965 1.902 2.091 . 0 0 "[ . 1]" 2
104 1 134 LYS O 1 138 MET N 2.900 2.500 3.300 2.883 2.811 3.014 . 0 0 "[ . 1]" 2
105 1 135 LEU O 1 139 SER H 2.150 . 2.500 1.815 1.734 1.981 0.066 10 0 "[ . 1]" 2
106 1 135 LEU O 1 139 SER N 2.900 2.500 3.300 2.761 2.688 2.930 . 0 0 "[ . 1]" 2
107 1 136 ALA O 1 140 ALA H 2.150 . 2.500 2.199 2.040 2.340 . 0 0 "[ . 1]" 2
108 1 136 ALA O 1 140 ALA N 2.900 2.500 3.300 3.045 2.922 3.229 . 0 0 "[ . 1]" 2
109 1 137 GLU O 1 141 ALA H 2.150 . 2.500 1.944 1.841 2.067 . 0 0 "[ . 1]" 2
110 1 137 GLU O 1 141 ALA N 2.900 2.500 3.300 2.908 2.812 3.010 . 0 0 "[ . 1]" 2
111 1 138 MET O 1 142 LYS H 2.150 . 2.500 2.200 1.995 2.502 0.002 8 0 "[ . 1]" 2
112 1 138 MET O 1 142 LYS N 2.900 2.500 3.300 2.956 2.744 3.278 . 0 0 "[ . 1]" 2
113 1 139 SER O 1 143 VAL H 2.150 . 2.500 2.208 2.069 2.544 0.044 8 0 "[ . 1]" 2
114 1 139 SER O 1 143 VAL N 2.900 2.500 3.300 3.156 3.036 3.430 0.130 8 0 "[ . 1]" 2
115 1 140 ALA O 1 144 ALA H 2.150 . 2.500 2.170 2.084 2.365 . 0 0 "[ . 1]" 2
116 1 140 ALA O 1 144 ALA N 2.900 2.500 3.300 3.104 3.027 3.319 0.019 8 0 "[ . 1]" 2
117 1 141 ALA O 1 145 PHE H 2.150 . 2.500 2.064 1.935 2.305 . 0 0 "[ . 1]" 2
118 1 141 ALA O 1 145 PHE N 2.900 2.500 3.300 2.992 2.852 3.270 . 0 0 "[ . 1]" 2
119 1 142 LYS O 1 146 MET H 2.150 . 2.500 2.136 1.895 2.322 . 0 0 "[ . 1]" 2
120 1 142 LYS O 1 146 MET N 2.900 2.500 3.300 3.084 2.833 3.295 . 0 0 "[ . 1]" 2
121 1 143 VAL O 1 147 SER H 2.150 . 2.500 2.095 1.937 2.283 . 0 0 "[ . 1]" 2
122 1 143 VAL O 1 147 SER N 2.900 2.500 3.300 2.951 2.822 3.111 . 0 0 "[ . 1]" 2
123 1 144 ALA O 1 148 ILE H 2.150 . 2.500 1.979 1.768 2.170 0.032 8 0 "[ . 1]" 2
124 1 144 ALA O 1 148 ILE N 2.900 2.500 3.300 2.892 2.706 3.044 . 0 0 "[ . 1]" 2
125 1 145 PHE O 1 149 LYS H 2.150 . 2.500 2.366 2.243 2.446 . 0 0 "[ . 1]" 2
126 1 145 PHE O 1 149 LYS N 2.900 2.500 3.300 3.253 3.155 3.366 0.066 8 0 "[ . 1]" 2
stop_
save_
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