NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568527 |
2mdk   |
19489 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mdk
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 460
_Distance_constraint_stats_list.Viol_count 601
_Distance_constraint_stats_list.Viol_total 333.522
_Distance_constraint_stats_list.Viol_max 0.433
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0555
_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 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 LYS 0.145 0.038 8 0 "[ . 1]"
1 4 VAL 0.278 0.074 10 0 "[ . 1]"
1 5 GLU 0.199 0.074 10 0 "[ . 1]"
1 6 GLN 0.065 0.032 8 0 "[ . 1]"
1 7 VAL 0.000 0.000 . 0 "[ . 1]"
1 8 LEU 0.000 0.000 . 0 "[ . 1]"
1 9 SER 0.827 0.144 1 0 "[ . 1]"
1 10 LEU 1.892 0.290 9 0 "[ . 1]"
1 11 GLU 0.000 0.000 . 0 "[ . 1]"
1 12 PRO 0.000 0.000 . 0 "[ . 1]"
1 13 GLN 1.827 0.290 9 0 "[ . 1]"
1 14 HIS 0.239 0.104 4 0 "[ . 1]"
1 15 GLU 0.270 0.104 4 0 "[ . 1]"
1 16 LEU 0.222 0.092 9 0 "[ . 1]"
1 17 LYS 0.205 0.092 9 0 "[ . 1]"
1 18 PHE 0.101 0.052 9 0 "[ . 1]"
1 19 ARG 0.045 0.030 8 0 "[ . 1]"
1 20 GLY 1.271 0.187 9 0 "[ . 1]"
1 21 PRO 0.315 0.082 9 0 "[ . 1]"
1 22 PHE 0.315 0.082 9 0 "[ . 1]"
1 23 THR 0.064 0.020 6 0 "[ . 1]"
1 24 ASP 0.140 0.046 5 0 "[ . 1]"
1 25 VAL 1.418 0.187 9 0 "[ . 1]"
1 26 VAL 1.228 0.423 10 0 "[ . 1]"
1 27 THR 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.960 0.423 10 0 "[ . 1]"
1 29 ASN 0.116 0.086 10 0 "[ . 1]"
1 30 LEU 0.482 0.072 10 0 "[ . 1]"
1 31 LYS 0.401 0.168 10 0 "[ . 1]"
1 32 LEU 1.298 0.168 10 0 "[ . 1]"
1 33 GLY 0.617 0.129 10 0 "[ . 1]"
1 34 ASN 0.063 0.024 2 0 "[ . 1]"
1 35 PRO 0.000 0.000 . 0 "[ . 1]"
1 36 THR 0.226 0.041 1 0 "[ . 1]"
1 37 ASP 0.053 0.012 8 0 "[ . 1]"
1 38 ARG 0.152 0.063 8 0 "[ . 1]"
1 39 ASN 0.303 0.130 3 0 "[ . 1]"
1 40 VAL 0.137 0.130 3 0 "[ . 1]"
1 41 CYS 0.005 0.005 6 0 "[ . 1]"
1 42 PHE 0.212 0.065 5 0 "[ . 1]"
1 43 LYS 0.913 0.182 10 0 "[ . 1]"
1 44 VAL 1.065 0.128 10 0 "[ . 1]"
1 45 LYS 0.981 0.182 10 0 "[ . 1]"
1 46 THR 0.109 0.055 2 0 "[ . 1]"
1 47 THR 0.083 0.035 6 0 "[ . 1]"
1 48 ALA 0.129 0.046 9 0 "[ . 1]"
1 49 PRO 0.046 0.046 9 0 "[ . 1]"
1 52 TYR 0.000 0.000 . 0 "[ . 1]"
1 53 CYS 0.257 0.086 6 0 "[ . 1]"
1 54 VAL 0.530 0.113 4 0 "[ . 1]"
1 55 ARG 0.469 0.119 9 0 "[ . 1]"
1 56 SER 1.027 0.119 9 0 "[ . 1]"
1 57 ASN 0.755 0.117 6 0 "[ . 1]"
1 58 SER 0.902 0.141 3 0 "[ . 1]"
1 59 GLY 3.254 0.433 1 0 "[ . 1]"
1 60 ILE 1.063 0.134 2 0 "[ . 1]"
1 61 ILE 2.071 0.125 9 0 "[ . 1]"
1 62 ASP 0.160 0.084 1 0 "[ . 1]"
1 63 ALA 0.974 0.433 1 0 "[ . 1]"
1 64 GLY 0.639 0.178 2 0 "[ . 1]"
1 65 ALA 0.427 0.078 8 0 "[ . 1]"
1 66 SER 0.332 0.135 4 0 "[ . 1]"
1 67 ILE 0.866 0.178 2 0 "[ . 1]"
1 68 ASN 0.017 0.015 2 0 "[ . 1]"
1 69 VAL 0.135 0.038 2 0 "[ . 1]"
1 70 SER 0.135 0.038 2 0 "[ . 1]"
1 71 VAL 0.000 0.000 . 0 "[ . 1]"
1 75 PRO 0.168 0.081 8 0 "[ . 1]"
1 76 PHE 0.211 0.081 8 0 "[ . 1]"
1 77 ASP 0.036 0.019 9 0 "[ . 1]"
1 78 TYR 0.146 0.048 1 0 "[ . 1]"
1 79 ASP 0.688 0.131 5 0 "[ . 1]"
1 80 PRO 0.180 0.066 8 0 "[ . 1]"
1 81 ASN 2.413 0.187 2 0 "[ . 1]"
1 82 GLU 3.169 0.187 2 0 "[ . 1]"
1 83 LYS 0.000 0.000 . 0 "[ . 1]"
1 84 SER 1.796 0.171 4 0 "[ . 1]"
1 85 LYS 2.136 0.163 2 0 "[ . 1]"
1 86 HIS 3.760 0.171 4 0 "[ . 1]"
1 87 LYS 0.586 0.103 1 0 "[ . 1]"
1 88 PHE 0.538 0.103 1 0 "[ . 1]"
1 89 MET 0.000 0.000 . 0 "[ . 1]"
1 90 VAL 1.759 0.245 4 0 "[ . 1]"
1 91 GLN 0.093 0.093 6 0 "[ . 1]"
1 92 SER 0.028 0.019 5 0 "[ . 1]"
1 93 MET 0.043 0.019 5 0 "[ . 1]"
1 94 PHE 2.051 0.245 4 0 "[ . 1]"
1 95 ALA 0.744 0.090 4 0 "[ . 1]"
1 96 PRO 0.418 0.072 7 0 "[ . 1]"
1 97 THR 0.167 0.038 4 0 "[ . 1]"
1 98 ASP 0.525 0.089 9 0 "[ . 1]"
1 99 THR 0.054 0.020 9 0 "[ . 1]"
1 100 SER 0.480 0.089 9 0 "[ . 1]"
1 101 ASP 0.000 0.000 . 0 "[ . 1]"
1 102 MET 0.017 0.014 2 0 "[ . 1]"
1 103 GLU 0.110 0.064 7 0 "[ . 1]"
1 104 ALA 0.168 0.037 6 0 "[ . 1]"
1 105 VAL 0.630 0.132 4 0 "[ . 1]"
1 106 TRP 1.259 0.156 9 0 "[ . 1]"
1 107 LYS 0.037 0.035 9 0 "[ . 1]"
1 108 GLU 0.254 0.074 9 0 "[ . 1]"
1 109 ALA 0.177 0.035 9 0 "[ . 1]"
1 110 LYS 1.791 0.167 6 0 "[ . 1]"
1 111 PRO 0.957 0.133 9 0 "[ . 1]"
1 112 GLU 0.282 0.054 9 0 "[ . 1]"
1 113 ASP 0.381 0.167 6 0 "[ . 1]"
1 114 LEU 0.085 0.053 5 0 "[ . 1]"
1 115 MET 0.002 0.002 9 0 "[ . 1]"
1 116 ASP 0.082 0.053 5 0 "[ . 1]"
1 117 SER 2.145 0.210 8 0 "[ . 1]"
1 118 LYS 0.461 0.099 8 0 "[ . 1]"
1 119 LEU 1.932 0.210 8 0 "[ . 1]"
1 120 ARG 0.025 0.017 1 0 "[ . 1]"
1 121 CYS 0.248 0.101 8 0 "[ . 1]"
1 122 VAL 0.000 0.000 . 0 "[ . 1]"
1 123 PHE 0.025 0.017 1 0 "[ . 1]"
1 124 GLU 0.009 0.009 10 0 "[ . 1]"
1 125 LEU 0.009 0.009 10 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 2 ALA HA 1 3 LYS H 2.800 . 3.600 2.667 2.156 3.548 . 0 0 "[ . 1]" 1
2 1 3 LYS HA 1 4 VAL H 2.800 . 3.600 2.251 2.121 2.516 . 0 0 "[ . 1]" 1
3 1 3 LYS HB2 1 4 VAL H 3.400 2.400 4.400 4.306 3.870 4.438 0.038 8 0 "[ . 1]" 1
4 1 3 LYS HG2 1 4 VAL H 4.200 2.600 5.800 4.938 3.472 5.668 . 0 0 "[ . 1]" 1
5 1 3 LYS H 1 4 VAL H 3.400 2.400 4.400 4.052 3.249 4.403 0.003 5 0 "[ . 1]" 1
6 1 4 VAL MG1 1 5 GLU H 4.200 2.600 5.800 3.825 3.562 4.209 . 0 0 "[ . 1]" 1
7 1 4 VAL MG2 1 5 GLU H 4.200 2.600 5.800 3.257 2.526 3.726 0.074 10 0 "[ . 1]" 1
8 1 4 VAL H 1 5 GLU H 3.400 2.400 4.400 2.722 2.367 2.875 0.033 9 0 "[ . 1]" 1
9 1 4 VAL HA 1 5 GLU H 4.200 2.600 5.800 3.525 3.445 3.565 . 0 0 "[ . 1]" 1
10 1 3 LYS HA 1 5 GLU H 4.200 2.600 5.800 3.634 3.277 3.879 . 0 0 "[ . 1]" 1
11 1 5 GLU QG 1 6 GLN H 4.200 2.600 5.800 4.072 3.500 4.385 . 0 0 "[ . 1]" 1
12 1 5 GLU HA 1 6 GLN H 2.800 . 3.600 3.566 3.554 3.592 . 0 0 "[ . 1]" 1
13 1 3 LYS HA 1 6 GLN H 3.400 2.400 4.400 4.219 3.766 4.432 0.032 8 0 "[ . 1]" 1
14 1 6 GLN H 1 7 VAL H 2.800 . 3.600 2.629 2.472 2.823 . 0 0 "[ . 1]" 1
15 1 8 LEU HA 1 9 SER H 3.400 2.400 4.400 3.565 3.474 3.610 . 0 0 "[ . 1]" 1
16 1 7 VAL HA 1 9 SER H 4.200 2.600 5.800 4.374 4.309 4.458 . 0 0 "[ . 1]" 1
17 1 8 LEU HB2 1 9 SER H 4.200 2.600 5.800 3.176 2.868 3.757 . 0 0 "[ . 1]" 1
18 1 8 LEU MD1 1 9 SER H 4.200 2.600 5.800 4.535 4.275 4.663 . 0 0 "[ . 1]" 1
19 1 8 LEU HG 1 9 SER H 4.200 2.600 5.800 4.697 3.769 5.101 . 0 0 "[ . 1]" 1
20 1 8 LEU MD2 1 10 LEU H 4.200 2.600 5.800 3.576 2.693 5.561 . 0 0 "[ . 1]" 1
21 1 9 SER HA 1 10 LEU H 3.400 2.400 4.400 2.914 2.335 3.368 0.065 1 0 "[ . 1]" 1
22 1 9 SER HB2 1 10 LEU H 4.200 2.600 5.800 4.215 3.682 4.485 . 0 0 "[ . 1]" 1
23 1 10 LEU HA 1 11 GLU H 3.400 2.400 4.400 3.492 3.401 3.622 . 0 0 "[ . 1]" 1
24 1 12 PRO HA 1 13 GLN H 2.800 . 3.600 2.317 2.237 2.438 . 0 0 "[ . 1]" 1
25 1 12 PRO HB2 1 13 GLN H 3.400 2.400 4.400 4.052 3.716 4.305 . 0 0 "[ . 1]" 1
26 1 12 PRO QD 1 13 GLN H 4.200 2.600 5.800 4.440 4.043 4.703 . 0 0 "[ . 1]" 1
27 1 12 PRO HD2 1 13 GLN H 4.200 2.600 5.800 4.742 4.263 5.207 . 0 0 "[ . 1]" 1
28 1 12 PRO QG 1 13 GLN H 4.200 2.600 5.800 4.746 4.692 4.795 . 0 0 "[ . 1]" 1
29 1 12 PRO HA 1 14 HIS H 4.200 2.600 5.800 3.434 3.247 3.928 . 0 0 "[ . 1]" 1
30 1 13 GLN HA 1 14 HIS H 2.800 . 3.600 3.454 3.426 3.560 . 0 0 "[ . 1]" 1
31 1 13 GLN HB2 1 14 HIS H 4.200 2.600 5.800 3.436 3.091 4.103 . 0 0 "[ . 1]" 1
32 1 13 GLN QG 1 14 HIS H 4.200 2.600 5.800 4.375 4.194 4.612 . 0 0 "[ . 1]" 1
33 1 13 GLN HG2 1 14 HIS H 4.200 2.600 5.800 5.050 4.703 5.484 . 0 0 "[ . 1]" 1
34 1 13 GLN H 1 14 HIS H 3.400 2.400 4.400 2.694 2.634 2.779 . 0 0 "[ . 1]" 1
35 1 14 HIS HA 1 15 GLU H 2.800 . 3.600 2.305 2.104 2.855 . 0 0 "[ . 1]" 1
36 1 14 HIS HB2 1 15 GLU H 3.400 2.400 4.400 4.051 2.365 4.504 0.104 4 0 "[ . 1]" 1
37 1 14 HIS HA 1 16 LEU H 4.200 2.600 5.800 4.981 4.276 5.819 0.019 3 0 "[ . 1]" 1
38 1 15 GLU HA 1 16 LEU H 2.800 . 3.600 2.448 2.116 3.555 . 0 0 "[ . 1]" 1
39 1 15 GLU HB2 1 16 LEU H 4.200 2.600 5.800 4.330 3.410 4.602 . 0 0 "[ . 1]" 1
40 1 15 GLU HG2 1 16 LEU H 4.200 2.600 5.800 4.512 2.948 5.213 . 0 0 "[ . 1]" 1
41 1 16 LEU MD1 1 17 LYS H 4.200 2.600 5.800 4.354 3.441 5.511 . 0 0 "[ . 1]" 1
42 1 16 LEU MD2 1 17 LYS H 4.200 2.600 5.800 3.961 2.626 5.408 . 0 0 "[ . 1]" 1
43 1 16 LEU HG 1 17 LYS H 4.200 2.600 5.800 4.232 3.135 5.085 . 0 0 "[ . 1]" 1
44 1 16 LEU H 1 17 LYS H 2.800 . 3.600 3.248 2.391 3.692 0.092 9 0 "[ . 1]" 1
45 1 15 GLU HA 1 17 LYS H 4.200 2.600 5.800 5.222 4.518 5.849 0.049 5 0 "[ . 1]" 1
46 1 16 LEU HB2 1 18 PHE H 4.200 2.600 5.800 4.885 3.583 5.852 0.052 9 0 "[ . 1]" 1
47 1 16 LEU HA 1 18 PHE H 4.200 2.600 5.800 4.561 3.644 5.457 . 0 0 "[ . 1]" 1
48 1 17 LYS HA 1 18 PHE H 2.800 . 3.600 3.104 2.133 3.568 . 0 0 "[ . 1]" 1
49 1 17 LYS HB2 1 18 PHE H 3.400 2.400 4.400 3.519 2.399 4.404 0.004 8 0 "[ . 1]" 1
50 1 17 LYS HG2 1 18 PHE H 4.200 2.600 5.800 4.875 4.212 5.565 . 0 0 "[ . 1]" 1
51 1 18 PHE HA 1 19 ARG H 4.200 2.600 5.800 2.934 2.570 3.577 0.030 8 0 "[ . 1]" 1
52 1 21 PRO HA 1 22 PHE H 2.800 . 3.600 3.179 2.275 3.588 . 0 0 "[ . 1]" 1
53 1 21 PRO HB2 1 22 PHE H 4.200 2.600 5.800 2.877 2.518 3.445 0.082 9 0 "[ . 1]" 1
54 1 21 PRO HD2 1 22 PHE H 4.200 2.600 5.800 3.849 2.593 5.558 0.007 7 0 "[ . 1]" 1
55 1 21 PRO HG2 1 22 PHE H 4.200 2.600 5.800 3.906 2.548 5.351 0.052 9 0 "[ . 1]" 1
56 1 22 PHE HA 1 23 THR H 2.800 . 3.600 3.557 3.525 3.579 . 0 0 "[ . 1]" 1
57 1 22 PHE HB2 1 23 THR H 3.400 2.400 4.400 3.155 2.478 4.041 . 0 0 "[ . 1]" 1
58 1 22 PHE H 1 23 THR H 2.800 . 3.600 2.704 2.557 2.766 . 0 0 "[ . 1]" 1
59 1 23 THR HA 1 24 ASP H 3.400 2.400 4.400 3.561 3.519 3.598 . 0 0 "[ . 1]" 1
60 1 23 THR HB 1 24 ASP H 3.400 2.400 4.400 2.865 2.385 3.537 0.015 3 0 "[ . 1]" 1
61 1 23 THR MG 1 24 ASP H 4.200 2.600 5.800 3.834 3.613 4.073 . 0 0 "[ . 1]" 1
62 1 23 THR H 1 24 ASP H 4.200 2.600 5.800 2.727 2.580 2.888 0.020 6 0 "[ . 1]" 1
63 1 20 GLY HA3 1 25 VAL H 3.400 . 5.000 5.127 5.072 5.187 0.187 9 0 "[ . 1]" 1
64 1 22 PHE HA 1 25 VAL H 4.200 2.600 5.800 4.464 4.095 4.877 . 0 0 "[ . 1]" 1
65 1 23 THR HA 1 25 VAL H 4.200 2.600 5.800 4.968 4.673 5.212 . 0 0 "[ . 1]" 1
66 1 23 THR MG 1 25 VAL H 4.200 2.600 5.800 5.697 5.489 5.803 0.003 3 0 "[ . 1]" 1
67 1 24 ASP HA 1 25 VAL H 3.400 2.400 4.400 3.576 3.517 3.620 . 0 0 "[ . 1]" 1
68 1 24 ASP HB2 1 25 VAL H 3.400 2.400 4.400 3.146 2.466 3.955 . 0 0 "[ . 1]" 1
69 1 24 ASP H 1 25 VAL H 2.800 . 3.600 2.791 2.569 2.988 . 0 0 "[ . 1]" 1
70 1 22 PHE HA 1 26 VAL H 4.200 2.600 5.800 4.046 3.400 4.658 . 0 0 "[ . 1]" 1
71 1 23 THR HA 1 26 VAL H 4.200 2.600 5.800 4.167 3.890 4.501 . 0 0 "[ . 1]" 1
72 1 24 ASP HB2 1 26 VAL H 4.200 2.600 5.800 5.481 5.105 5.846 0.046 5 0 "[ . 1]" 1
73 1 25 VAL MG2 1 26 VAL H 4.200 2.600 5.800 3.716 2.459 4.200 0.141 9 0 "[ . 1]" 1
74 1 24 ASP HA 1 27 THR H 4.200 2.600 5.800 3.950 3.694 4.328 . 0 0 "[ . 1]" 1
75 1 25 VAL HA 1 27 THR H 4.200 2.600 5.800 4.382 3.955 5.093 . 0 0 "[ . 1]" 1
76 1 26 VAL HA 1 27 THR H 4.200 2.600 5.800 3.532 3.508 3.560 . 0 0 "[ . 1]" 1
77 1 26 VAL MG1 1 27 THR H 4.200 2.600 5.800 3.795 3.221 4.188 . 0 0 "[ . 1]" 1
78 1 24 ASP HA 1 28 THR H 4.200 2.600 5.800 4.639 2.687 5.835 0.035 7 0 "[ . 1]" 1
79 1 25 VAL H 1 28 THR H 4.200 2.600 5.800 5.167 4.518 5.695 . 0 0 "[ . 1]" 1
80 1 26 VAL HA 1 28 THR H 3.400 2.400 4.400 4.492 4.431 4.823 0.423 10 0 "[ . 1]" 1
81 1 26 VAL HB 1 28 THR H 4.200 2.600 5.800 5.467 4.850 5.808 0.008 8 0 "[ . 1]" 1
82 1 26 VAL MG1 1 28 THR H 4.200 2.600 5.800 5.386 4.894 5.724 . 0 0 "[ . 1]" 1
83 1 27 THR H 1 28 THR H 2.800 . 3.600 2.730 2.595 2.839 . 0 0 "[ . 1]" 1
84 1 26 VAL HB 1 29 ASN H 4.200 2.600 5.800 5.470 5.059 5.886 0.086 10 0 "[ . 1]" 1
85 1 30 LEU MD1 1 31 LYS H 4.200 2.600 5.800 2.665 2.547 2.935 0.053 10 0 "[ . 1]" 1
86 1 31 LYS H 1 32 LEU H 2.800 . 3.600 3.245 2.422 3.768 0.168 10 0 "[ . 1]" 1
87 1 30 LEU MD1 1 33 GLY H 4.200 2.600 5.800 5.760 5.295 5.872 0.072 10 0 "[ . 1]" 1
88 1 32 LEU HA 1 33 GLY H 2.800 . 3.600 2.644 2.492 2.835 . 0 0 "[ . 1]" 1
89 1 32 LEU MD1 1 33 GLY H 4.200 2.600 5.800 5.100 3.903 5.639 . 0 0 "[ . 1]" 1
90 1 32 LEU HG 1 33 GLY H 4.200 2.600 5.800 5.418 5.043 5.886 0.086 4 0 "[ . 1]" 1
91 1 32 LEU H 1 33 GLY H 4.200 2.600 5.800 3.255 2.471 3.593 0.129 10 0 "[ . 1]" 1
92 1 33 GLY HA2 1 34 ASN H 2.800 . 3.600 3.127 2.159 3.591 . 0 0 "[ . 1]" 1
93 1 34 ASN HA 1 36 THR H 4.200 2.600 5.800 4.533 3.615 5.824 0.024 2 0 "[ . 1]" 1
94 1 34 ASN HB2 1 36 THR H 4.200 2.600 5.800 5.005 3.815 5.811 0.011 7 0 "[ . 1]" 1
95 1 35 PRO HA 1 36 THR H 2.800 . 3.600 2.769 2.166 3.565 . 0 0 "[ . 1]" 1
96 1 35 PRO HB2 1 36 THR H 3.400 2.400 4.400 3.902 2.821 4.364 . 0 0 "[ . 1]" 1
97 1 35 PRO QD 1 36 THR H 4.200 2.600 5.800 3.792 2.685 4.780 . 0 0 "[ . 1]" 1
98 1 35 PRO HD2 1 36 THR H 4.200 2.600 5.800 4.037 2.739 5.266 . 0 0 "[ . 1]" 1
99 1 36 THR HA 1 37 ASP H 2.800 . 3.600 3.015 2.309 3.568 . 0 0 "[ . 1]" 1
100 1 36 THR MG 1 38 ARG H 4.200 2.600 5.800 4.762 3.678 5.818 0.018 8 0 "[ . 1]" 1
101 1 37 ASP HA 1 38 ARG H 2.800 . 3.600 2.968 2.156 3.546 . 0 0 "[ . 1]" 1
102 1 38 ARG HA 1 39 ASN H 2.800 . 3.600 2.848 2.139 3.577 . 0 0 "[ . 1]" 1
103 1 38 ARG HB2 1 39 ASN H 3.400 2.400 4.400 3.697 2.383 4.463 0.063 8 0 "[ . 1]" 1
104 1 38 ARG HD2 1 39 ASN H 4.200 2.600 5.800 4.714 2.882 5.584 . 0 0 "[ . 1]" 1
105 1 38 ARG HG2 1 39 ASN H 4.200 2.600 5.800 4.529 2.722 5.811 0.011 5 0 "[ . 1]" 1
106 1 38 ARG H 1 39 ASN H 4.200 2.600 5.800 3.458 2.586 4.527 0.014 9 0 "[ . 1]" 1
107 1 39 ASN HA 1 40 VAL H 2.800 . 3.600 2.654 2.136 3.568 . 0 0 "[ . 1]" 1
108 1 39 ASN HB2 1 40 VAL H 4.200 2.600 5.800 3.726 3.288 4.493 . 0 0 "[ . 1]" 1
109 1 39 ASN H 1 40 VAL H 3.400 2.400 4.400 4.166 2.557 4.530 0.130 3 0 "[ . 1]" 1
110 1 41 CYS HA 1 42 PHE H 2.800 . 3.600 2.623 2.337 3.556 . 0 0 "[ . 1]" 1
111 1 41 CYS HB2 1 42 PHE H 3.400 2.400 4.400 3.805 3.430 4.405 0.005 6 0 "[ . 1]" 1
112 1 42 PHE HA 1 43 LYS H 3.400 2.400 4.400 3.057 2.335 3.583 0.065 5 0 "[ . 1]" 1
113 1 42 PHE HB2 1 43 LYS H 4.200 2.600 5.800 3.531 2.574 4.657 0.026 10 0 "[ . 1]" 1
114 1 42 PHE H 1 44 VAL MG2 4.200 2.600 5.800 5.439 4.785 5.850 0.050 2 0 "[ . 1]" 1
115 1 43 LYS H 1 44 VAL MG2 4.200 2.600 5.800 4.747 3.625 5.533 . 0 0 "[ . 1]" 1
116 1 43 LYS HA 1 44 VAL H 2.800 . 3.600 2.710 2.149 3.591 . 0 0 "[ . 1]" 1
117 1 43 LYS HB2 1 44 VAL H 4.200 2.600 5.800 3.057 2.472 4.461 0.128 10 0 "[ . 1]" 1
118 1 43 LYS HB2 1 45 LYS H 3.400 2.400 4.400 4.180 3.093 4.582 0.182 10 0 "[ . 1]" 1
119 1 44 VAL HA 1 45 LYS H 2.800 . 3.600 3.144 2.291 3.615 0.015 1 0 "[ . 1]" 1
120 1 44 VAL HB 1 45 LYS H 4.200 2.600 5.800 3.700 2.484 4.558 0.116 1 0 "[ . 1]" 1
121 1 44 VAL MG2 1 45 LYS H 4.200 2.600 5.800 3.705 2.545 4.248 0.055 8 0 "[ . 1]" 1
122 1 44 VAL H 1 45 LYS H 4.200 2.600 5.800 2.890 2.506 3.691 0.094 1 0 "[ . 1]" 1
123 1 44 VAL MG2 1 46 THR H 4.200 2.600 5.800 5.547 4.998 5.855 0.055 2 0 "[ . 1]" 1
124 1 45 LYS HB2 1 46 THR H 4.200 2.600 5.800 3.265 2.593 4.433 0.007 2 0 "[ . 1]" 1
125 1 45 LYS H 1 46 THR H 4.200 2.600 5.800 3.553 2.596 4.645 0.004 7 0 "[ . 1]" 1
126 1 46 THR HA 1 47 THR H 2.800 . 3.600 2.778 2.121 3.570 . 0 0 "[ . 1]" 1
127 1 47 THR H 1 48 ALA HA 4.200 2.600 5.800 5.128 4.157 5.803 0.003 2 0 "[ . 1]" 1
128 1 47 THR HA 1 48 ALA H 2.800 . 3.600 2.666 2.135 3.566 . 0 0 "[ . 1]" 1
129 1 47 THR HB 1 48 ALA H 3.400 2.400 4.400 3.173 2.394 4.226 0.006 1 0 "[ . 1]" 1
130 1 47 THR MG 1 48 ALA H 4.200 2.600 5.800 3.324 2.600 4.239 0.000 4 0 "[ . 1]" 1
131 1 47 THR H 1 48 ALA H 4.200 2.600 5.800 4.099 2.565 4.642 0.035 6 0 "[ . 1]" 1
132 1 48 ALA H 1 49 PRO QD 4.200 2.600 5.800 4.018 2.554 4.414 0.046 9 0 "[ . 1]" 1
133 1 48 ALA H 1 49 PRO HD2 4.200 2.600 5.800 4.672 3.290 5.198 . 0 0 "[ . 1]" 1
134 1 52 TYR HA 1 53 CYS H 2.800 . 3.600 2.658 2.127 3.581 . 0 0 "[ . 1]" 1
135 1 52 TYR HB2 1 53 CYS H 4.200 2.600 5.800 4.003 2.875 4.661 . 0 0 "[ . 1]" 1
136 1 53 CYS HA 1 54 VAL H 2.800 . 3.600 2.500 2.122 3.519 . 0 0 "[ . 1]" 1
137 1 53 CYS HB2 1 54 VAL H 3.400 2.400 4.400 4.252 3.523 4.486 0.086 6 0 "[ . 1]" 1
138 1 54 VAL HA 1 55 ARG H 2.800 . 3.600 2.399 2.129 2.973 . 0 0 "[ . 1]" 1
139 1 54 VAL HB 1 55 ARG H 3.400 2.400 4.400 3.531 2.387 4.513 0.113 4 0 "[ . 1]" 1
140 1 54 VAL MG2 1 55 ARG H 4.200 2.600 5.800 3.839 3.392 4.218 . 0 0 "[ . 1]" 1
141 1 54 VAL H 1 55 ARG H 4.200 2.600 5.800 4.001 2.595 4.580 0.005 7 0 "[ . 1]" 1
142 1 54 VAL MG2 1 56 SER H 4.200 2.600 5.800 4.540 2.861 5.827 0.027 5 0 "[ . 1]" 1
143 1 55 ARG HB2 1 56 SER H 3.400 2.400 4.400 3.805 2.332 4.519 0.119 9 0 "[ . 1]" 1
144 1 55 ARG HG2 1 56 SER H 4.200 2.600 5.800 4.592 2.632 5.397 . 0 0 "[ . 1]" 1
145 1 56 SER HA 1 57 ASN H 2.800 . 3.600 2.689 2.094 3.102 . 0 0 "[ . 1]" 1
146 1 56 SER HG 1 57 ASN H 3.400 2.400 4.400 4.411 4.173 4.517 0.117 6 0 "[ . 1]" 1
147 1 56 SER HB2 1 57 ASN H 3.400 2.400 4.400 4.359 4.155 4.492 0.092 1 0 "[ . 1]" 1
148 1 56 SER H 1 57 ASN H 3.400 2.400 4.400 2.830 2.358 4.337 0.042 3 0 "[ . 1]" 1
149 1 57 ASN HA 1 58 SER H 3.400 2.400 4.400 3.520 3.460 3.558 . 0 0 "[ . 1]" 1
150 1 57 ASN H 1 58 SER H 2.800 . 3.600 2.412 2.334 2.534 . 0 0 "[ . 1]" 1
151 1 57 ASN HA 1 59 GLY H 4.200 2.600 5.800 4.426 3.625 4.792 . 0 0 "[ . 1]" 1
152 1 58 SER HA 1 59 GLY H 2.800 . 3.600 3.519 3.407 3.568 . 0 0 "[ . 1]" 1
153 1 58 SER HG 1 59 GLY H 3.400 2.400 4.400 3.859 2.684 4.400 0.000 9 0 "[ . 1]" 1
154 1 58 SER HB2 1 59 GLY H 3.400 2.400 4.400 3.638 2.822 4.068 . 0 0 "[ . 1]" 1
155 1 58 SER H 1 59 GLY H 4.200 2.600 5.800 2.533 2.459 2.766 0.141 3 0 "[ . 1]" 1
156 1 59 GLY H 1 60 ILE HA 4.200 2.600 5.800 4.258 3.763 5.635 . 0 0 "[ . 1]" 1
157 1 59 GLY HA2 1 60 ILE H 3.400 2.400 4.400 2.924 2.266 3.552 0.134 2 0 "[ . 1]" 1
158 1 59 GLY H 1 60 ILE H 2.800 . 3.600 2.223 1.900 3.605 0.100 4 0 "[ . 1]" 1
159 1 59 GLY H 1 61 ILE HB 4.200 2.600 5.800 5.818 5.295 5.925 0.125 9 0 "[ . 1]" 1
160 1 59 GLY H 1 61 ILE MG 4.200 2.600 5.800 5.848 5.828 5.875 0.075 3 0 "[ . 1]" 1
161 1 59 GLY HA2 1 61 ILE H 4.200 2.600 5.800 4.353 3.479 5.425 . 0 0 "[ . 1]" 1
162 1 60 ILE H 1 61 ILE H 2.800 . 3.600 3.240 1.957 3.683 0.083 2 0 "[ . 1]" 1
163 1 60 ILE HA 1 61 ILE H 3.400 2.400 4.400 3.434 2.383 3.586 0.017 1 0 "[ . 1]" 1
164 1 61 ILE HA 1 62 ASP H 3.400 2.400 4.400 3.485 3.371 3.524 . 0 0 "[ . 1]" 1
165 1 60 ILE HA 1 62 ASP H 4.200 2.600 5.800 4.387 3.047 4.797 . 0 0 "[ . 1]" 1
166 1 59 GLY HA2 1 62 ASP H 4.200 2.600 5.800 5.062 4.030 5.884 0.084 1 0 "[ . 1]" 1
167 1 61 ILE HB 1 62 ASP H 3.400 2.400 4.400 3.177 2.907 4.227 . 0 0 "[ . 1]" 1
168 1 61 ILE MG 1 62 ASP H 4.200 2.600 5.800 2.765 2.560 3.664 0.040 1 0 "[ . 1]" 1
169 1 58 SER HG 1 63 ALA H 4.200 2.600 5.800 4.565 2.684 5.869 0.069 1 0 "[ . 1]" 1
170 1 61 ILE HA 1 63 ALA H 3.400 2.400 4.400 4.199 3.472 4.486 0.086 4 0 "[ . 1]" 1
171 1 60 ILE HA 1 63 ALA H 4.200 2.600 5.800 3.733 3.088 4.112 . 0 0 "[ . 1]" 1
172 1 59 GLY HA2 1 63 ALA H 4.200 2.600 5.800 5.473 4.961 6.233 0.433 1 0 "[ . 1]" 1
173 1 61 ILE MG 1 63 ALA H 4.200 2.600 5.800 4.455 4.312 4.601 . 0 0 "[ . 1]" 1
174 1 62 ASP HA 1 63 ALA H 3.400 2.400 4.400 3.461 3.391 3.499 . 0 0 "[ . 1]" 1
175 1 62 ASP HB2 1 63 ALA H 3.400 2.400 4.400 3.320 2.773 4.178 . 0 0 "[ . 1]" 1
176 1 62 ASP HA 1 64 GLY H 4.200 2.600 5.800 4.190 3.660 4.581 . 0 0 "[ . 1]" 1
177 1 60 ILE HA 1 64 GLY H 4.200 2.600 5.800 4.158 3.348 5.850 0.050 2 0 "[ . 1]" 1
178 1 61 ILE HA 1 64 GLY H 4.200 2.600 5.800 3.672 2.714 4.157 . 0 0 "[ . 1]" 1
179 1 62 ASP HB2 1 64 GLY H 4.200 2.600 5.800 5.287 4.895 5.803 0.003 1 0 "[ . 1]" 1
180 1 63 ALA HA 1 64 GLY H 2.800 . 3.600 3.475 3.402 3.560 . 0 0 "[ . 1]" 1
181 1 63 ALA H 1 64 GLY H 2.800 . 3.600 2.470 2.300 2.746 . 0 0 "[ . 1]" 1
182 1 63 ALA HA 1 65 ALA H 3.400 2.400 4.400 3.816 3.300 4.419 0.019 9 0 "[ . 1]" 1
183 1 61 ILE HA 1 65 ALA H 4.200 2.600 5.800 5.828 5.748 5.878 0.078 8 0 "[ . 1]" 1
184 1 64 GLY HA2 1 65 ALA H 2.800 . 3.600 3.098 2.499 3.494 . 0 0 "[ . 1]" 1
185 1 64 GLY H 1 65 ALA H 2.800 . 3.600 2.915 2.321 3.628 0.028 1 0 "[ . 1]" 1
186 1 63 ALA HA 1 66 SER H 4.200 2.600 5.800 5.063 4.232 5.729 . 0 0 "[ . 1]" 1
187 1 64 GLY HA2 1 66 SER H 3.400 2.400 4.400 3.533 3.137 4.272 . 0 0 "[ . 1]" 1
188 1 65 ALA HA 1 66 SER H 3.400 2.400 4.400 3.268 2.947 3.566 . 0 0 "[ . 1]" 1
189 1 65 ALA H 1 66 SER H 2.800 . 3.600 2.575 1.958 2.994 0.042 9 0 "[ . 1]" 1
190 1 65 ALA HA 1 67 ILE H 4.200 2.600 5.800 4.024 3.288 5.802 0.002 4 0 "[ . 1]" 1
191 1 64 GLY HA2 1 67 ILE H 3.400 2.400 4.400 4.400 3.975 4.578 0.178 2 0 "[ . 1]" 1
192 1 66 SER H 1 67 ILE HA 4.200 2.600 5.800 4.582 4.150 5.313 . 0 0 "[ . 1]" 1
193 1 66 SER HA 1 67 ILE H 4.200 2.600 5.800 2.906 2.465 3.251 0.135 4 0 "[ . 1]" 1
194 1 66 SER HB2 1 67 ILE H 3.400 2.400 4.400 4.196 3.732 4.363 . 0 0 "[ . 1]" 1
195 1 66 SER H 1 67 ILE H 3.400 2.400 4.400 2.695 2.355 3.380 0.045 9 0 "[ . 1]" 1
196 1 67 ILE HA 1 68 ASN H 2.800 . 3.600 3.449 3.369 3.569 . 0 0 "[ . 1]" 1
197 1 67 ILE HB 1 68 ASN H 3.400 2.400 4.400 3.823 3.250 4.216 . 0 0 "[ . 1]" 1
198 1 67 ILE MD 1 68 ASN H 4.200 2.600 5.800 4.352 2.585 5.249 0.015 2 0 "[ . 1]" 1
199 1 67 ILE H 1 68 ASN H 3.400 2.400 4.400 2.584 2.398 2.871 0.002 6 0 "[ . 1]" 1
200 1 68 ASN H 1 69 VAL MG2 4.200 2.600 5.800 4.776 4.056 5.800 0.000 2 0 "[ . 1]" 1
201 1 68 ASN HA 1 69 VAL H 3.400 2.400 4.400 3.488 3.355 3.579 . 0 0 "[ . 1]" 1
202 1 67 ILE MD 1 70 SER H 4.200 2.600 5.800 4.811 2.600 5.597 . 0 0 "[ . 1]" 1
203 1 68 ASN HA 1 70 SER H 4.200 2.600 5.800 4.401 3.833 4.717 . 0 0 "[ . 1]" 1
204 1 69 VAL HB 1 70 SER H 3.400 2.400 4.400 3.553 2.809 4.102 . 0 0 "[ . 1]" 1
205 1 69 VAL HA 1 70 SER H 3.400 2.400 4.400 3.477 3.402 3.526 . 0 0 "[ . 1]" 1
206 1 69 VAL MG2 1 70 SER H 4.200 2.600 5.800 3.312 2.568 3.828 0.032 6 0 "[ . 1]" 1
207 1 69 VAL H 1 70 SER H 3.400 2.400 4.400 2.442 2.362 2.598 0.038 2 0 "[ . 1]" 1
208 1 69 VAL HA 1 71 VAL H 4.200 2.600 5.800 4.408 3.856 4.875 . 0 0 "[ . 1]" 1
209 1 75 PRO HA 1 76 PHE H 3.400 2.400 4.400 2.865 2.319 3.565 0.081 8 0 "[ . 1]" 1
210 1 75 PRO HB2 1 76 PHE H 4.200 2.600 5.800 3.348 2.578 4.319 0.022 3 0 "[ . 1]" 1
211 1 75 PRO HG2 1 76 PHE H 4.200 2.600 5.800 4.653 3.556 5.577 . 0 0 "[ . 1]" 1
212 1 75 PRO HA 1 77 ASP H 4.200 2.600 5.800 4.620 3.632 5.265 . 0 0 "[ . 1]" 1
213 1 76 PHE HA 1 77 ASP H 2.800 . 3.600 3.298 2.484 3.576 . 0 0 "[ . 1]" 1
214 1 76 PHE HB2 1 77 ASP H 4.200 2.600 5.800 3.396 2.603 4.627 . 0 0 "[ . 1]" 1
215 1 76 PHE H 1 77 ASP H 3.400 2.400 4.400 2.885 2.381 3.766 0.019 9 0 "[ . 1]" 1
216 1 76 PHE HB2 1 78 TYR H 4.200 2.600 5.800 4.444 2.687 5.815 0.015 5 0 "[ . 1]" 1
217 1 77 ASP HA 1 78 TYR H 3.400 2.400 4.400 2.994 2.487 3.473 . 0 0 "[ . 1]" 1
218 1 77 ASP HB2 1 78 TYR H 3.400 2.400 4.400 4.155 3.344 4.405 0.005 4 0 "[ . 1]" 1
219 1 77 ASP H 1 78 TYR H 2.800 . 3.600 2.595 2.128 3.205 . 0 0 "[ . 1]" 1
220 1 78 TYR HA 1 79 ASP H 3.400 2.400 4.400 3.124 2.365 3.568 0.035 2 0 "[ . 1]" 1
221 1 78 TYR HB2 1 79 ASP H 3.400 2.400 4.400 3.971 3.062 4.448 0.048 1 0 "[ . 1]" 1
222 1 78 TYR H 1 79 ASP H 3.400 2.400 4.400 2.724 2.385 3.623 0.015 5 0 "[ . 1]" 1
223 1 79 ASP H 1 80 PRO QD 4.200 2.600 5.800 3.452 2.563 4.325 0.037 9 0 "[ . 1]" 1
224 1 79 ASP H 1 80 PRO HD2 4.200 2.600 5.800 3.922 2.630 5.336 . 0 0 "[ . 1]" 1
225 1 79 ASP HA 1 81 ASN H 3.400 2.400 4.400 4.422 4.136 4.531 0.131 5 0 "[ . 1]" 1
226 1 80 PRO HA 1 81 ASN H 2.800 . 3.600 2.681 2.381 3.570 . 0 0 "[ . 1]" 1
227 1 80 PRO QD 1 81 ASN H 3.400 2.400 4.400 3.990 2.645 4.466 0.066 8 0 "[ . 1]" 1
228 1 80 PRO HD2 1 81 ASN H 4.200 2.600 5.800 4.301 2.683 4.965 . 0 0 "[ . 1]" 1
229 1 80 PRO HG2 1 81 ASN H 4.200 2.600 5.800 4.872 3.808 5.789 . 0 0 "[ . 1]" 1
230 1 81 ASN HA 1 82 GLU H 3.400 2.400 4.400 2.367 2.213 2.620 0.187 2 0 "[ . 1]" 1
231 1 81 ASN HB2 1 82 GLU H 3.400 2.400 4.400 4.423 4.346 4.471 0.071 9 0 "[ . 1]" 1
232 1 81 ASN H 1 82 GLU H 2.800 . 3.600 3.216 2.138 3.777 0.177 5 0 "[ . 1]" 1
233 1 82 GLU H 1 83 LYS H 2.800 . 3.600 2.669 2.559 2.810 . 0 0 "[ . 1]" 1
234 1 82 GLU HA 1 83 LYS H 3.400 2.400 4.400 3.546 3.520 3.566 . 0 0 "[ . 1]" 1
235 1 81 ASN HA 1 83 LYS H 3.400 2.400 4.400 3.793 3.358 4.235 . 0 0 "[ . 1]" 1
236 1 82 GLU HA 1 84 SER H 3.400 2.400 4.400 4.475 4.428 4.521 0.121 5 0 "[ . 1]" 1
237 1 81 ASN HA 1 84 SER H 4.200 2.600 5.800 4.010 3.584 4.411 . 0 0 "[ . 1]" 1
238 1 83 LYS HA 1 84 SER H 3.400 2.400 4.400 3.526 3.509 3.554 . 0 0 "[ . 1]" 1
239 1 83 LYS HB2 1 84 SER H 3.400 2.400 4.400 3.225 2.451 3.811 . 0 0 "[ . 1]" 1
240 1 83 LYS H 1 84 SER H 2.800 . 3.600 2.612 2.531 2.681 . 0 0 "[ . 1]" 1
241 1 84 SER HA 1 85 LYS H 2.800 2.400 3.600 3.436 3.414 3.535 . 0 0 "[ . 1]" 1
242 1 81 ASN HA 1 85 LYS H 4.200 2.600 5.800 4.880 4.511 5.133 . 0 0 "[ . 1]" 1
243 1 82 GLU HA 1 85 LYS H 4.200 2.600 5.800 3.130 2.952 3.419 . 0 0 "[ . 1]" 1
244 1 84 SER HB2 1 85 LYS H 3.400 2.400 4.400 3.386 2.988 3.904 . 0 0 "[ . 1]" 1
245 1 84 SER HA 1 86 HIS H 4.200 2.600 5.800 5.904 5.831 5.971 0.171 4 0 "[ . 1]" 1
246 1 85 LYS HA 1 86 HIS H 3.400 2.400 4.400 2.868 2.267 3.500 0.133 4 0 "[ . 1]" 1
247 1 82 GLU HA 1 86 HIS H 3.400 2.400 4.400 4.403 3.837 4.567 0.167 8 0 "[ . 1]" 1
248 1 85 LYS HB2 1 86 HIS H 3.400 2.400 4.400 3.826 2.370 4.510 0.110 9 0 "[ . 1]" 1
249 1 85 LYS H 1 86 HIS H 2.800 . 3.600 3.696 3.625 3.763 0.163 2 0 "[ . 1]" 1
250 1 85 LYS QG 1 87 LYS H 4.200 2.600 5.800 5.298 4.943 5.831 0.031 8 0 "[ . 1]" 1
251 1 86 HIS HA 1 87 LYS H 2.800 . 3.600 2.451 2.393 2.518 . 0 0 "[ . 1]" 1
252 1 86 HIS HB2 1 87 LYS H 3.400 2.400 4.400 3.470 2.383 3.975 0.017 10 0 "[ . 1]" 1
253 1 87 LYS HA 1 88 PHE H 3.400 2.400 4.400 2.387 2.297 2.526 0.103 1 0 "[ . 1]" 1
254 1 87 LYS HB2 1 88 PHE H 3.400 2.400 4.400 4.161 3.368 4.457 0.057 1 0 "[ . 1]" 1
255 1 87 LYS HB2 1 89 MET H 4.200 2.600 5.800 5.216 3.987 5.639 . 0 0 "[ . 1]" 1
256 1 87 LYS HA 1 89 MET H 4.200 2.600 5.800 4.820 4.347 5.057 . 0 0 "[ . 1]" 1
257 1 88 PHE HB2 1 89 MET H 4.200 2.600 5.800 3.558 3.290 3.877 . 0 0 "[ . 1]" 1
258 1 88 PHE HA 1 89 MET H 3.400 2.400 4.400 3.650 3.639 3.671 . 0 0 "[ . 1]" 1
259 1 89 MET HA 1 90 VAL H 3.400 2.400 4.400 3.460 3.411 3.483 . 0 0 "[ . 1]" 1
260 1 87 LYS HA 1 90 VAL H 4.200 2.600 5.800 4.739 3.988 4.973 . 0 0 "[ . 1]" 1
261 1 87 LYS HA 1 91 GLN H 4.200 2.600 5.800 5.113 4.514 5.539 . 0 0 "[ . 1]" 1
262 1 90 VAL HA 1 91 GLN H 3.400 2.400 4.400 3.389 3.364 3.415 . 0 0 "[ . 1]" 1
263 1 90 VAL HB 1 91 GLN H 3.400 2.400 4.400 3.520 3.327 4.493 0.093 6 0 "[ . 1]" 1
264 1 90 VAL MG2 1 91 GLN H 4.200 2.600 5.800 3.930 3.567 4.418 . 0 0 "[ . 1]" 1
265 1 90 VAL H 1 91 GLN H 2.800 . 3.600 2.628 2.581 2.678 . 0 0 "[ . 1]" 1
266 1 90 VAL MG2 1 92 SER H 4.200 2.600 5.800 5.046 4.112 5.282 . 0 0 "[ . 1]" 1
267 1 90 VAL HA 1 92 SER H 4.200 2.600 5.800 3.450 3.312 3.645 . 0 0 "[ . 1]" 1
268 1 91 GLN HA 1 92 SER H 2.800 . 3.600 3.427 3.400 3.454 . 0 0 "[ . 1]" 1
269 1 91 GLN HG2 1 92 SER H 4.200 2.600 5.800 4.871 3.040 5.227 . 0 0 "[ . 1]" 1
270 1 91 GLN H 1 92 SER H 2.800 . 3.600 2.904 2.799 3.048 . 0 0 "[ . 1]" 1
271 1 92 SER HA 1 93 MET H 2.800 2.400 3.600 3.453 3.408 3.516 . 0 0 "[ . 1]" 1
272 1 90 VAL HA 1 93 MET H 4.200 2.600 5.800 4.341 4.170 4.539 . 0 0 "[ . 1]" 1
273 1 91 GLN HA 1 93 MET H 4.200 2.600 5.800 3.558 3.447 3.920 . 0 0 "[ . 1]" 1
274 1 92 SER HG 1 93 MET H 3.400 2.400 4.400 3.927 2.904 4.419 0.019 5 0 "[ . 1]" 1
275 1 92 SER HB2 1 93 MET H 3.400 2.400 4.400 3.773 3.084 4.219 . 0 0 "[ . 1]" 1
276 1 92 SER HA 1 94 PHE H 4.200 2.600 5.800 4.491 4.239 4.833 . 0 0 "[ . 1]" 1
277 1 90 VAL HA 1 94 PHE H 4.500 2.900 6.100 6.267 6.125 6.345 0.245 4 0 "[ . 1]" 1
278 1 93 MET HA 1 94 PHE H 3.400 2.400 4.400 3.521 3.496 3.557 . 0 0 "[ . 1]" 1
279 1 93 MET HB2 1 94 PHE H 4.200 2.600 5.800 3.371 2.585 3.762 0.015 3 0 "[ . 1]" 1
280 1 93 MET HG2 1 94 PHE H 4.200 2.600 5.800 4.372 3.766 4.976 . 0 0 "[ . 1]" 1
281 1 93 MET H 1 94 PHE H 2.800 . 3.600 2.437 2.330 2.603 . 0 0 "[ . 1]" 1
282 1 92 SER HA 1 95 ALA H 4.200 2.600 5.800 3.520 3.314 4.151 . 0 0 "[ . 1]" 1
283 1 91 GLN HA 1 95 ALA H 4.200 2.600 5.800 5.022 4.878 5.217 . 0 0 "[ . 1]" 1
284 1 93 MET HA 1 95 ALA H 4.200 2.600 5.800 3.747 3.546 4.042 . 0 0 "[ . 1]" 1
285 1 94 PHE HA 1 95 ALA H 3.400 2.400 4.400 3.389 3.259 3.479 . 0 0 "[ . 1]" 1
286 1 94 PHE HB2 1 95 ALA H 4.200 2.600 5.800 4.208 3.616 4.517 . 0 0 "[ . 1]" 1
287 1 94 PHE HE1 1 95 ALA H 4.200 2.600 5.800 5.757 5.135 5.890 0.090 4 0 "[ . 1]" 1
288 1 94 PHE H 1 95 ALA H 4.200 2.600 5.800 2.648 2.537 2.903 0.063 4 0 "[ . 1]" 1
289 1 95 ALA H 1 96 PRO QD 4.200 2.600 5.800 2.883 2.528 3.632 0.072 7 0 "[ . 1]" 1
290 1 95 ALA H 1 96 PRO HD2 4.200 2.600 5.800 3.342 2.558 4.314 0.042 1 0 "[ . 1]" 1
291 1 96 PRO HA 1 97 THR H 3.400 2.400 4.400 3.069 2.386 3.558 0.014 7 0 "[ . 1]" 1
292 1 96 PRO HB2 1 97 THR H 4.200 2.600 5.800 3.611 2.589 4.390 0.011 4 0 "[ . 1]" 1
293 1 96 PRO HD2 1 97 THR H 4.200 2.600 5.800 4.002 2.834 5.176 . 0 0 "[ . 1]" 1
294 1 96 PRO HG2 1 97 THR H 4.200 2.600 5.800 4.152 2.607 5.815 0.015 7 0 "[ . 1]" 1
295 1 96 PRO HA 1 98 ASP H 3.400 2.400 4.400 3.535 2.949 3.985 . 0 0 "[ . 1]" 1
296 1 97 THR HA 1 98 ASP H 2.800 . 3.600 3.425 3.378 3.456 . 0 0 "[ . 1]" 1
297 1 97 THR HA 1 99 THR H 3.400 2.400 4.400 4.011 3.484 4.420 0.020 9 0 "[ . 1]" 1
298 1 97 THR MG 1 98 ASP H 4.200 2.600 5.800 3.765 2.562 4.322 0.038 4 0 "[ . 1]" 1
299 1 97 THR H 1 98 ASP H 2.800 . 3.600 2.534 2.411 2.657 . 0 0 "[ . 1]" 1
300 1 98 ASP HA 1 99 THR H 3.400 2.400 4.400 3.518 3.449 3.570 . 0 0 "[ . 1]" 1
301 1 98 ASP HB2 1 99 THR H 3.400 2.400 4.400 3.445 2.668 4.163 . 0 0 "[ . 1]" 1
302 1 98 ASP HA 1 100 SER H 3.400 2.400 4.400 4.421 4.288 4.489 0.089 9 0 "[ . 1]" 1
303 1 98 ASP HB2 1 100 SER H 4.200 2.600 5.800 5.568 5.069 5.829 0.029 7 0 "[ . 1]" 1
304 1 99 THR HA 1 100 SER H 2.800 2.400 3.600 3.549 3.522 3.586 . 0 0 "[ . 1]" 1
305 1 99 THR MG 1 100 SER H 4.200 2.600 5.800 3.875 3.417 4.135 . 0 0 "[ . 1]" 1
306 1 99 THR H 1 100 SER H 2.800 . 3.600 2.786 2.667 2.929 . 0 0 "[ . 1]" 1
307 1 98 ASP HA 1 101 ASP H 4.200 2.600 5.800 3.131 2.928 3.276 . 0 0 "[ . 1]" 1
308 1 99 THR HA 1 101 ASP H 4.200 2.600 5.800 4.057 3.995 4.171 . 0 0 "[ . 1]" 1
309 1 100 SER HA 1 101 ASP H 3.400 2.400 4.400 3.436 3.407 3.457 . 0 0 "[ . 1]" 1
310 1 100 SER HG 1 101 ASP H 3.400 2.400 4.400 4.028 2.757 4.399 . 0 0 "[ . 1]" 1
311 1 98 ASP HA 1 102 MET H 4.200 2.600 5.800 4.630 4.268 5.198 . 0 0 "[ . 1]" 1
312 1 99 THR HA 1 102 MET H 4.200 2.600 5.800 3.818 3.467 4.089 . 0 0 "[ . 1]" 1
313 1 100 SER HA 1 102 MET H 3.400 2.400 4.400 3.961 3.677 4.391 . 0 0 "[ . 1]" 1
314 1 101 ASP HA 1 102 MET H 4.200 2.600 5.800 3.507 3.442 3.570 . 0 0 "[ . 1]" 1
315 1 101 ASP HB2 1 102 MET H 3.400 2.400 4.400 3.746 3.162 4.084 . 0 0 "[ . 1]" 1
316 1 101 ASP H 1 102 MET H 2.800 . 3.600 2.733 2.617 2.863 . 0 0 "[ . 1]" 1
317 1 100 SER HA 1 103 GLU H 4.200 2.600 5.800 3.935 3.562 4.415 . 0 0 "[ . 1]" 1
318 1 102 MET HA 1 103 GLU H 3.400 2.400 4.400 3.566 3.504 3.587 . 0 0 "[ . 1]" 1
319 1 100 SER HA 1 104 ALA H 4.200 2.600 5.800 4.371 3.462 5.824 0.024 7 0 "[ . 1]" 1
320 1 102 MET HA 1 104 ALA H 4.200 2.600 5.800 4.803 4.451 5.229 . 0 0 "[ . 1]" 1
321 1 103 GLU HA 1 104 ALA H 3.400 2.400 4.400 3.519 3.479 3.545 . 0 0 "[ . 1]" 1
322 1 103 GLU HB2 1 104 ALA H 3.400 2.400 4.400 3.207 2.481 3.736 . 0 0 "[ . 1]" 1
323 1 103 GLU H 1 104 ALA H 2.800 . 3.600 2.565 2.425 2.692 . 0 0 "[ . 1]" 1
324 1 102 MET HA 1 105 VAL H 3.400 2.400 4.400 3.976 3.621 4.391 . 0 0 "[ . 1]" 1
325 1 103 GLU HA 1 105 VAL H 4.200 2.600 5.800 4.194 3.954 4.498 . 0 0 "[ . 1]" 1
326 1 104 ALA H 1 105 VAL HA 4.200 2.600 5.800 5.255 5.145 5.401 . 0 0 "[ . 1]" 1
327 1 104 ALA HA 1 105 VAL H 3.400 2.400 4.400 3.503 3.469 3.560 . 0 0 "[ . 1]" 1
328 1 104 ALA H 1 105 VAL H 2.800 . 3.600 2.780 2.669 2.924 . 0 0 "[ . 1]" 1
329 1 103 GLU HA 1 106 TRP H 3.400 2.400 4.400 4.321 4.116 4.464 0.064 7 0 "[ . 1]" 1
330 1 105 VAL H 1 106 TRP HA 4.200 2.600 5.800 5.444 5.383 5.480 . 0 0 "[ . 1]" 1
331 1 105 VAL H 1 106 TRP HB2 4.200 2.600 5.800 5.054 4.742 5.272 . 0 0 "[ . 1]" 1
332 1 105 VAL HA 1 106 TRP H 3.400 2.400 4.400 3.559 3.487 3.587 . 0 0 "[ . 1]" 1
333 1 102 MET HA 1 106 TRP H 4.200 2.600 5.800 5.527 5.026 5.814 0.014 2 0 "[ . 1]" 1
334 1 104 ALA HA 1 106 TRP H 4.200 2.600 5.800 4.377 3.775 4.776 . 0 0 "[ . 1]" 1
335 1 105 VAL HB 1 106 TRP H 3.400 2.400 4.400 2.969 2.368 4.172 0.032 2 0 "[ . 1]" 1
336 1 105 VAL MG1 1 106 TRP H 4.200 2.600 5.800 3.324 2.468 4.239 0.132 4 0 "[ . 1]" 1
337 1 105 VAL MG2 1 106 TRP H 4.200 2.600 5.800 3.452 2.473 3.981 0.127 6 0 "[ . 1]" 1
338 1 105 VAL H 1 106 TRP H 2.800 . 3.600 2.915 2.827 2.979 . 0 0 "[ . 1]" 1
339 1 104 ALA HA 1 107 LYS H 3.400 2.400 4.400 3.405 3.151 3.790 . 0 0 "[ . 1]" 1
340 1 103 GLU HA 1 107 LYS H 4.200 2.600 5.800 4.809 4.197 5.730 . 0 0 "[ . 1]" 1
341 1 105 VAL HA 1 107 LYS H 4.200 2.600 5.800 4.701 4.292 5.165 . 0 0 "[ . 1]" 1
342 1 106 TRP HA 1 107 LYS H 3.400 2.400 4.400 3.506 3.426 3.559 . 0 0 "[ . 1]" 1
343 1 106 TRP HB2 1 107 LYS H 3.400 2.400 4.400 3.216 2.483 4.045 . 0 0 "[ . 1]" 1
344 1 104 ALA HA 1 108 GLU H 4.200 2.600 5.800 2.904 2.563 3.883 0.037 6 0 "[ . 1]" 1
345 1 105 VAL HA 1 108 GLU H 3.400 2.400 4.400 4.242 3.527 4.474 0.074 9 0 "[ . 1]" 1
346 1 106 TRP HA 1 108 GLU H 4.200 2.600 5.800 4.674 4.057 5.061 . 0 0 "[ . 1]" 1
347 1 107 LYS HA 1 108 GLU H 3.400 2.400 4.400 3.547 3.507 3.574 . 0 0 "[ . 1]" 1
348 1 107 LYS HB2 1 108 GLU H 3.400 2.400 4.400 3.198 2.624 3.861 . 0 0 "[ . 1]" 1
349 1 107 LYS HD2 1 108 GLU H 4.200 2.600 5.800 5.036 3.971 5.782 . 0 0 "[ . 1]" 1
350 1 107 LYS HG2 1 108 GLU H 4.200 2.600 5.800 4.553 2.599 5.130 0.001 6 0 "[ . 1]" 1
351 1 107 LYS H 1 108 GLU H 2.800 . 3.600 2.596 2.236 2.910 . 0 0 "[ . 1]" 1
352 1 105 VAL HA 1 109 ALA H 4.200 2.600 5.800 4.176 3.970 4.347 . 0 0 "[ . 1]" 1
353 1 105 VAL MG1 1 109 ALA H 4.200 2.600 5.800 5.133 4.516 5.814 0.014 7 0 "[ . 1]" 1
354 1 105 VAL MG2 1 109 ALA H 4.200 2.600 5.800 5.654 4.962 5.816 0.016 6 0 "[ . 1]" 1
355 1 106 TRP HA 1 109 ALA H 3.400 2.400 4.400 3.809 3.294 4.376 . 0 0 "[ . 1]" 1
356 1 107 LYS HA 1 109 ALA H 4.200 2.600 5.800 4.197 3.652 5.835 0.035 9 0 "[ . 1]" 1
357 1 107 LYS HB2 1 109 ALA H 4.200 2.600 5.800 5.057 4.697 5.355 . 0 0 "[ . 1]" 1
358 1 108 GLU HA 1 109 ALA H 3.400 2.400 4.400 3.271 2.496 3.432 . 0 0 "[ . 1]" 1
359 1 108 GLU HB2 1 109 ALA H 4.200 2.600 5.800 3.752 3.282 4.580 . 0 0 "[ . 1]" 1
360 1 108 GLU HG2 1 109 ALA H 4.200 2.600 5.800 4.955 2.584 5.794 0.016 3 0 "[ . 1]" 1
361 1 108 GLU H 1 109 ALA H 2.800 . 3.600 2.475 2.261 2.670 . 0 0 "[ . 1]" 1
362 1 109 ALA HA 1 110 LYS H 3.400 2.400 4.400 2.559 2.371 2.890 0.029 4 0 "[ . 1]" 1
363 1 109 ALA H 1 110 LYS H 4.200 2.600 5.800 4.315 2.598 4.638 0.002 9 0 "[ . 1]" 1
364 1 106 TRP HA 1 110 LYS H 4.200 2.600 5.800 5.862 5.822 5.956 0.156 9 0 "[ . 1]" 1
365 1 110 LYS H 1 111 PRO QD 4.000 2.400 5.600 2.377 2.353 2.422 0.047 6 0 "[ . 1]" 1
366 1 110 LYS H 1 111 PRO HD2 4.200 2.600 5.800 2.552 2.467 2.594 0.133 9 0 "[ . 1]" 1
367 1 110 LYS HA 1 112 GLU H 4.200 2.600 5.800 4.291 3.930 4.815 . 0 0 "[ . 1]" 1
368 1 110 LYS HD2 1 112 GLU H 4.200 2.600 5.800 5.152 4.750 5.853 0.053 6 0 "[ . 1]" 1
369 1 110 LYS HG2 1 112 GLU H 4.200 2.600 5.800 5.445 4.919 5.803 0.003 6 0 "[ . 1]" 1
370 1 111 PRO HA 1 112 GLU H 3.400 2.400 4.400 3.548 3.473 3.578 . 0 0 "[ . 1]" 1
371 1 111 PRO HB2 1 112 GLU H 4.200 2.600 5.800 2.755 2.554 3.537 0.046 5 0 "[ . 1]" 1
372 1 111 PRO QD 1 112 GLU H 4.200 2.600 5.800 2.923 2.546 3.104 0.054 9 0 "[ . 1]" 1
373 1 111 PRO HD2 1 112 GLU H 4.200 2.600 5.800 2.990 2.585 3.183 0.015 9 0 "[ . 1]" 1
374 1 109 ALA HA 1 113 ASP H 4.200 2.600 5.800 5.422 4.854 5.833 0.033 7 0 "[ . 1]" 1
375 1 110 LYS HB2 1 113 ASP H 4.200 2.600 5.800 5.554 4.590 5.845 0.045 9 0 "[ . 1]" 1
376 1 110 LYS HD2 1 113 ASP H 4.200 2.600 5.800 5.492 5.093 5.853 0.053 3 0 "[ . 1]" 1
377 1 110 LYS HG2 1 113 ASP H 4.200 2.600 5.800 5.037 4.373 5.967 0.167 6 0 "[ . 1]" 1
378 1 111 PRO HB2 1 113 ASP H 4.200 2.600 5.800 5.058 4.822 5.397 . 0 0 "[ . 1]" 1
379 1 112 GLU HA 1 113 ASP H 3.400 2.400 4.400 3.526 3.500 3.573 . 0 0 "[ . 1]" 1
380 1 112 GLU QG 1 113 ASP H 4.200 2.600 5.800 4.397 3.968 4.591 . 0 0 "[ . 1]" 1
381 1 112 GLU H 1 113 ASP H 3.400 2.400 4.400 2.523 2.423 2.650 . 0 0 "[ . 1]" 1
382 1 112 GLU HA 1 114 LEU H 4.200 2.600 5.800 4.364 4.091 4.673 . 0 0 "[ . 1]" 1
383 1 113 ASP HA 1 114 LEU H 3.400 2.400 4.400 3.525 3.499 3.573 . 0 0 "[ . 1]" 1
384 1 113 ASP HB2 1 114 LEU H 3.400 2.400 4.400 3.222 2.398 3.925 0.002 9 0 "[ . 1]" 1
385 1 113 ASP H 1 114 LEU H 3.400 2.400 4.400 2.662 2.542 2.800 . 0 0 "[ . 1]" 1
386 1 112 GLU HA 1 115 MET H 4.200 2.600 5.800 3.699 3.477 4.048 . 0 0 "[ . 1]" 1
387 1 113 ASP HB2 1 115 MET H 4.200 2.600 5.800 5.233 4.686 5.674 . 0 0 "[ . 1]" 1
388 1 113 ASP HA 1 115 MET H 4.200 2.600 5.800 4.040 3.870 4.300 . 0 0 "[ . 1]" 1
389 1 114 LEU HA 1 115 MET H 3.400 2.400 4.400 3.507 3.477 3.545 . 0 0 "[ . 1]" 1
390 1 114 LEU HG 1 115 MET H 4.200 2.600 5.800 3.648 2.598 4.253 0.002 9 0 "[ . 1]" 1
391 1 114 LEU HB2 1 115 MET H 4.200 2.600 5.800 3.713 2.723 4.011 . 0 0 "[ . 1]" 1
392 1 114 LEU MD2 1 115 MET H 4.200 2.600 5.800 4.097 3.532 4.710 . 0 0 "[ . 1]" 1
393 1 112 GLU HA 1 116 ASP H 4.200 2.600 5.800 4.901 4.204 5.551 . 0 0 "[ . 1]" 1
394 1 113 ASP HA 1 116 ASP H 3.400 2.400 4.400 3.251 3.032 3.452 . 0 0 "[ . 1]" 1
395 1 114 LEU HA 1 116 ASP H 4.200 2.600 5.800 4.441 4.083 4.785 . 0 0 "[ . 1]" 1
396 1 114 LEU HB2 1 116 ASP H 4.500 2.900 6.100 5.724 5.004 6.113 0.013 8 0 "[ . 1]" 1
397 1 114 LEU HG 1 116 ASP H 4.200 2.600 5.800 5.548 4.961 5.853 0.053 5 0 "[ . 1]" 1
398 1 115 MET HA 1 116 ASP H 3.400 2.400 4.400 3.537 3.506 3.561 . 0 0 "[ . 1]" 1
399 1 115 MET HB2 1 116 ASP H 3.400 2.400 4.400 3.357 2.528 3.986 . 0 0 "[ . 1]" 1
400 1 115 MET QG 1 116 ASP H 4.200 2.600 5.800 4.173 3.695 4.464 . 0 0 "[ . 1]" 1
401 1 115 MET HG2 1 116 ASP H 4.200 2.600 5.800 4.636 4.001 4.916 . 0 0 "[ . 1]" 1
402 1 114 LEU HA 1 117 SER H 4.200 2.600 5.800 3.512 3.214 3.725 . 0 0 "[ . 1]" 1
403 1 116 ASP HA 1 117 SER H 3.400 2.400 4.400 3.494 3.466 3.529 . 0 0 "[ . 1]" 1
404 1 117 SER HA 1 118 LYS H 3.400 2.400 4.400 3.550 3.516 3.577 . 0 0 "[ . 1]" 1
405 1 117 SER HB2 1 118 LYS H 3.400 2.400 4.400 2.367 2.301 2.533 0.099 8 0 "[ . 1]" 1
406 1 115 MET HA 1 118 LYS H 4.200 2.600 5.800 3.693 3.524 3.930 . 0 0 "[ . 1]" 1
407 1 116 ASP HA 1 118 LYS H 4.200 2.600 5.800 4.577 4.240 4.725 . 0 0 "[ . 1]" 1
408 1 115 MET HA 1 119 LEU H 4.200 2.600 5.800 4.406 4.054 4.941 . 0 0 "[ . 1]" 1
409 1 117 SER HB2 1 119 LEU H 3.400 2.400 4.400 4.568 4.536 4.610 0.210 8 0 "[ . 1]" 1
410 1 116 ASP HA 1 119 LEU H 3.400 2.400 4.400 3.471 3.368 3.604 . 0 0 "[ . 1]" 1
411 1 118 LYS HA 1 119 LEU H 3.400 2.400 4.400 3.455 3.438 3.482 . 0 0 "[ . 1]" 1
412 1 118 LYS HB2 1 119 LEU H 3.400 2.400 4.400 3.291 2.865 3.854 . 0 0 "[ . 1]" 1
413 1 118 LYS H 1 119 LEU H 3.400 2.400 4.400 2.538 2.476 2.610 . 0 0 "[ . 1]" 1
414 1 119 LEU HA 1 120 ARG H 3.400 2.400 4.400 3.554 3.532 3.570 . 0 0 "[ . 1]" 1
415 1 119 LEU HB2 1 120 ARG H 3.400 2.400 4.400 3.653 3.323 3.881 . 0 0 "[ . 1]" 1
416 1 119 LEU MD1 1 120 ARG H 4.200 2.600 5.800 4.744 4.595 4.822 . 0 0 "[ . 1]" 1
417 1 119 LEU MD2 1 120 ARG H 4.200 2.600 5.800 3.726 2.846 4.111 . 0 0 "[ . 1]" 1
418 1 119 LEU HG 1 120 ARG H 4.200 2.600 5.800 4.152 3.933 4.614 . 0 0 "[ . 1]" 1
419 1 119 LEU H 1 120 ARG H 3.400 2.400 4.400 2.637 2.563 2.738 . 0 0 "[ . 1]" 1
420 1 118 LYS HA 1 121 CYS H 3.400 2.400 4.400 3.569 3.346 3.881 . 0 0 "[ . 1]" 1
421 1 119 LEU HA 1 121 CYS H 4.200 2.600 5.800 4.417 4.215 4.565 . 0 0 "[ . 1]" 1
422 1 119 LEU HB2 1 121 CYS H 4.200 2.600 5.800 5.556 5.253 5.721 . 0 0 "[ . 1]" 1
423 1 119 LEU MD2 1 121 CYS H 4.200 2.600 5.800 5.678 4.680 5.877 0.077 3 0 "[ . 1]" 1
424 1 119 LEU HG 1 121 CYS H 4.200 2.600 5.800 5.776 5.529 5.901 0.101 8 0 "[ . 1]" 1
425 1 120 ARG HA 1 121 CYS H 3.400 2.400 4.400 3.500 3.473 3.515 . 0 0 "[ . 1]" 1
426 1 120 ARG H 1 121 CYS H 3.400 2.400 4.400 2.525 2.486 2.577 . 0 0 "[ . 1]" 1
427 1 119 LEU HA 1 122 VAL H 3.400 2.400 4.400 3.724 3.456 3.874 . 0 0 "[ . 1]" 1
428 1 120 ARG HA 1 122 VAL H 4.200 2.600 5.800 4.254 3.989 4.489 . 0 0 "[ . 1]" 1
429 1 121 CYS HA 1 122 VAL H 3.400 2.400 4.400 3.520 3.502 3.534 . 0 0 "[ . 1]" 1
430 1 121 CYS HB2 1 122 VAL H 3.400 2.400 4.400 2.804 2.717 2.920 . 0 0 "[ . 1]" 1
431 1 121 CYS H 1 122 VAL H 3.400 2.400 4.400 2.633 2.577 2.705 . 0 0 "[ . 1]" 1
432 1 122 VAL HA 1 123 PHE H 3.400 2.400 4.400 3.534 3.519 3.557 . 0 0 "[ . 1]" 1
433 1 119 LEU HA 1 123 PHE H 4.200 2.600 5.800 4.502 3.583 5.460 . 0 0 "[ . 1]" 1
434 1 120 ARG HA 1 123 PHE H 3.400 2.400 4.400 3.518 3.353 3.712 . 0 0 "[ . 1]" 1
435 1 121 CYS HA 1 123 PHE H 4.200 2.600 5.800 4.489 4.155 4.865 . 0 0 "[ . 1]" 1
436 1 122 VAL MG2 1 123 PHE H 4.200 2.600 5.800 3.718 3.497 3.923 . 0 0 "[ . 1]" 1
437 1 122 VAL H 1 123 PHE H 3.400 2.400 4.400 2.585 2.511 2.723 . 0 0 "[ . 1]" 1
438 1 121 CYS HA 1 124 GLU H 3.400 2.400 4.400 3.679 3.456 4.005 . 0 0 "[ . 1]" 1
439 1 120 ARG HA 1 124 GLU H 4.200 2.600 5.800 4.273 3.592 5.258 . 0 0 "[ . 1]" 1
440 1 122 VAL HA 1 124 GLU H 4.200 2.600 5.800 4.351 4.075 4.515 . 0 0 "[ . 1]" 1
441 1 122 VAL MG1 1 124 GLU H 4.200 2.600 5.800 4.504 4.074 5.115 . 0 0 "[ . 1]" 1
442 1 123 PHE HA 1 124 GLU H 3.400 2.400 4.400 3.523 3.495 3.551 . 0 0 "[ . 1]" 1
443 1 123 PHE HB2 1 124 GLU H 3.400 2.400 4.400 3.300 2.949 4.044 . 0 0 "[ . 1]" 1
444 1 123 PHE H 1 124 GLU H 2.800 . 3.600 2.654 2.540 2.781 . 0 0 "[ . 1]" 1
445 1 122 VAL HA 1 125 LEU H 3.400 2.400 4.400 3.605 3.385 3.712 . 0 0 "[ . 1]" 1
446 1 121 CYS HA 1 125 LEU H 4.200 2.600 5.800 4.262 3.791 4.768 . 0 0 "[ . 1]" 1
447 1 123 PHE HA 1 125 LEU H 4.200 2.600 5.800 4.675 4.446 4.885 . 0 0 "[ . 1]" 1
448 1 124 GLU HA 1 125 LEU H 3.400 2.400 4.400 3.554 3.536 3.566 . 0 0 "[ . 1]" 1
449 1 124 GLU HB2 1 125 LEU H 3.400 2.400 4.400 3.073 2.391 3.776 0.009 10 0 "[ . 1]" 1
450 1 124 GLU HG2 1 125 LEU H 4.200 2.600 5.800 4.576 3.791 4.997 . 0 0 "[ . 1]" 1
451 1 124 GLU H 1 125 LEU H 2.800 . 3.600 2.701 2.612 2.805 . 0 0 "[ . 1]" 1
452 1 8 LEU HA 1 32 LEU HG 4.200 2.600 5.800 4.517 3.923 5.256 . 0 0 "[ . 1]" 1
453 1 9 SER HG 1 32 LEU HG 4.200 2.600 5.800 5.876 5.856 5.944 0.144 1 0 "[ . 1]" 1
454 1 36 THR HB 1 60 ILE MD 4.200 2.600 5.800 5.127 3.185 5.841 0.041 1 0 "[ . 1]" 1
455 1 37 ASP QB 1 60 ILE MD 4.200 2.600 5.800 4.886 2.588 5.811 0.012 8 0 "[ . 1]" 1
456 1 39 ASN QB 1 60 ILE MD 4.200 2.600 5.800 4.732 3.080 5.826 0.026 8 0 "[ . 1]" 1
457 1 10 LEU QB 1 13 GLN HA 4.200 2.600 5.800 5.867 5.557 5.958 0.158 2 0 "[ . 1]" 1
458 1 10 LEU HG 1 13 GLN HA 4.200 2.600 5.800 5.892 5.806 6.090 0.290 9 0 "[ . 1]" 1
459 1 106 TRP HA 1 109 ALA MB 4.200 2.600 5.800 5.161 4.374 5.811 0.011 4 0 "[ . 1]" 1
460 1 120 ARG HA 1 123 PHE QB 4.200 2.600 5.800 2.883 2.583 3.289 0.017 1 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 464
_Distance_constraint_stats_list.Viol_count 612
_Distance_constraint_stats_list.Viol_total 421.756
_Distance_constraint_stats_list.Viol_max 0.457
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0689
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.057 0.016 2 0 "[ . 1]"
1 3 LYS 0.095 0.057 2 0 "[ . 1]"
1 4 VAL 0.247 0.036 10 0 "[ . 1]"
1 5 GLU 0.558 0.098 2 0 "[ . 1]"
1 6 GLN 3.451 0.229 4 0 "[ . 1]"
1 9 SER 0.040 0.040 1 0 "[ . 1]"
1 10 LEU 0.081 0.081 1 0 "[ . 1]"
1 11 GLU 0.061 0.031 9 0 "[ . 1]"
1 13 GLN 1.425 0.229 4 0 "[ . 1]"
1 14 HIS 0.945 0.077 1 0 "[ . 1]"
1 15 GLU 0.222 0.045 8 0 "[ . 1]"
1 16 LEU 0.000 0.000 . 0 "[ . 1]"
1 17 LYS 1.865 0.217 10 0 "[ . 1]"
1 18 PHE 0.024 0.024 4 0 "[ . 1]"
1 20 GLY 0.867 0.135 10 0 "[ . 1]"
1 22 PHE 0.496 0.221 6 0 "[ . 1]"
1 23 THR 0.855 0.196 8 0 "[ . 1]"
1 24 ASP 8.560 0.423 10 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 27 THR 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.056 0.042 8 0 "[ . 1]"
1 30 LEU 0.961 0.302 10 0 "[ . 1]"
1 32 LEU 0.547 0.087 3 0 "[ . 1]"
1 33 GLY 0.323 0.093 1 0 "[ . 1]"
1 34 ASN 0.521 0.073 8 0 "[ . 1]"
1 36 THR 0.062 0.023 7 0 "[ . 1]"
1 37 ASP 0.204 0.064 10 0 "[ . 1]"
1 38 ARG 0.000 0.000 . 0 "[ . 1]"
1 39 ASN 0.043 0.022 8 0 "[ . 1]"
1 42 PHE 0.080 0.080 8 0 "[ . 1]"
1 43 LYS 0.184 0.050 2 0 "[ . 1]"
1 44 VAL 0.802 0.152 1 0 "[ . 1]"
1 45 LYS 0.340 0.088 2 0 "[ . 1]"
1 46 THR 0.294 0.095 1 0 "[ . 1]"
1 47 THR 0.568 0.106 9 0 "[ . 1]"
1 48 ALA 0.045 0.045 9 0 "[ . 1]"
1 53 CYS 11.775 0.423 10 0 "[ . 1]"
1 54 VAL 0.051 0.044 8 0 "[ . 1]"
1 55 ARG 0.000 0.000 . 0 "[ . 1]"
1 56 SER 0.015 0.015 1 0 "[ . 1]"
1 57 ASN 0.327 0.135 2 0 "[ . 1]"
1 58 SER 0.000 0.000 . 0 "[ . 1]"
1 59 GLY 0.183 0.091 8 0 "[ . 1]"
1 60 ILE 0.271 0.112 1 0 "[ . 1]"
1 62 ASP 1.302 0.219 9 0 "[ . 1]"
1 63 ALA 1.399 0.293 2 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 66 SER 0.106 0.064 4 0 "[ . 1]"
1 67 ILE 0.093 0.063 10 0 "[ . 1]"
1 68 ASN 6.336 0.293 2 0 "[ . 1]"
1 69 VAL 0.309 0.070 9 0 "[ . 1]"
1 70 SER 0.000 0.000 . 0 "[ . 1]"
1 71 VAL 0.219 0.044 9 0 "[ . 1]"
1 74 GLN 0.005 0.005 6 0 "[ . 1]"
1 76 PHE 0.144 0.062 2 0 "[ . 1]"
1 78 TYR 0.000 0.000 . 0 "[ . 1]"
1 79 ASP 0.656 0.113 7 0 "[ . 1]"
1 81 ASN 0.942 0.139 4 0 "[ . 1]"
1 82 GLU 1.218 0.174 9 0 "[ . 1]"
1 84 SER 2.877 0.308 4 0 "[ . 1]"
1 85 LYS 1.973 0.248 2 0 "[ . 1]"
1 86 HIS 0.806 0.117 4 0 "[ . 1]"
1 87 LYS 0.056 0.030 8 0 "[ . 1]"
1 88 PHE 0.670 0.138 4 0 "[ . 1]"
1 89 MET 12.810 0.457 10 0 "[ . 1]"
1 90 VAL 0.000 0.000 . 0 "[ . 1]"
1 91 GLN 0.000 0.000 . 0 "[ . 1]"
1 92 SER 0.000 0.000 . 0 "[ . 1]"
1 93 MET 4.726 0.457 10 0 "[ . 1]"
1 94 PHE 0.282 0.087 9 0 "[ . 1]"
1 95 ALA 0.360 0.099 4 0 "[ . 1]"
1 97 THR 0.101 0.030 9 0 "[ . 1]"
1 98 ASP 0.000 0.000 . 0 "[ . 1]"
1 99 THR 0.492 0.129 7 0 "[ . 1]"
1 100 SER 0.051 0.033 5 0 "[ . 1]"
1 101 ASP 0.000 0.000 . 0 "[ . 1]"
1 102 MET 2.895 0.196 9 0 "[ . 1]"
1 103 GLU 0.449 0.124 7 0 "[ . 1]"
1 104 ALA 0.035 0.035 7 0 "[ . 1]"
1 105 VAL 0.000 0.000 . 0 "[ . 1]"
1 106 TRP 0.000 0.000 . 0 "[ . 1]"
1 107 LYS 0.000 0.000 . 0 "[ . 1]"
1 108 GLU 0.594 0.110 7 0 "[ . 1]"
1 109 ALA 0.000 0.000 . 0 "[ . 1]"
1 110 LYS 1.754 0.196 9 0 "[ . 1]"
1 112 GLU 0.024 0.024 3 0 "[ . 1]"
1 113 ASP 0.000 0.000 . 0 "[ . 1]"
1 114 LEU 0.022 0.022 7 0 "[ . 1]"
1 115 MET 0.074 0.057 9 0 "[ . 1]"
1 116 ASP 0.623 0.122 7 0 "[ . 1]"
1 117 SER 0.304 0.101 7 0 "[ . 1]"
1 118 LYS 1.062 0.103 7 0 "[ . 1]"
1 119 LEU 0.000 0.000 . 0 "[ . 1]"
1 120 ARG 0.014 0.014 10 0 "[ . 1]"
1 121 CYS 0.492 0.048 3 0 "[ . 1]"
1 122 VAL 0.326 0.082 8 0 "[ . 1]"
1 123 PHE 0.008 0.004 9 0 "[ . 1]"
1 124 GLU 0.193 0.071 10 0 "[ . 1]"
1 125 LEU 0.044 0.018 10 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 2 ALA H 1 6 GLN QE 14.710 9.710 19.710 10.132 9.695 11.016 0.014 4 0 "[ . 1]" 2
2 1 6 GLN QE 1 13 GLN H 20.890 15.890 25.890 15.747 15.661 15.809 0.229 4 0 "[ . 1]" 2
3 1 6 GLN QE 1 15 GLU H 20.773 15.773 25.773 16.594 15.734 17.826 0.038 2 0 "[ . 1]" 2
4 1 6 GLN QE 1 16 LEU H 19.391 14.391 24.391 16.839 16.142 17.679 . 0 0 "[ . 1]" 2
5 1 6 GLN QE 1 17 LYS H 20.254 15.254 25.254 17.841 16.409 19.839 . 0 0 "[ . 1]" 2
6 1 6 GLN QE 1 20 GLY H 20.814 15.814 25.814 22.397 20.410 23.877 . 0 0 "[ . 1]" 2
7 1 6 GLN QE 1 22 PHE H 19.509 14.509 24.509 21.150 18.118 23.868 . 0 0 "[ . 1]" 2
8 1 6 GLN QE 1 23 THR H 18.984 13.984 23.984 22.298 20.053 24.024 0.040 10 0 "[ . 1]" 2
9 1 6 GLN QE 1 26 VAL H 20.453 15.453 25.453 19.479 17.515 21.349 . 0 0 "[ . 1]" 2
10 1 6 GLN QE 1 32 LEU H 21.022 16.022 26.022 16.216 15.967 16.599 0.054 3 0 "[ . 1]" 2
11 1 6 GLN QE 1 33 GLY H 19.441 14.441 24.441 16.453 15.771 17.295 . 0 0 "[ . 1]" 2
12 1 6 GLN QE 1 34 ASN H 23.050 18.050 28.050 18.284 17.993 19.212 0.057 1 0 "[ . 1]" 2
13 1 6 GLN QE 1 36 THR H 23.600 18.600 28.600 21.614 18.584 22.973 0.016 8 0 "[ . 1]" 2
14 1 6 GLN QE 1 38 ARG H 24.090 19.090 29.090 24.684 21.408 28.246 . 0 0 "[ . 1]" 2
15 1 6 GLN QE 1 43 LYS H 24.521 19.521 29.521 20.978 19.472 25.574 0.050 2 0 "[ . 1]" 2
16 1 6 GLN QE 1 48 ALA H 24.227 19.227 29.227 25.674 22.445 28.332 . 0 0 "[ . 1]" 2
17 1 6 GLN QE 1 53 CYS H 22.671 17.671 27.671 26.116 25.484 26.670 . 0 0 "[ . 1]" 2
18 1 6 GLN QE 1 55 ARG H 20.954 15.954 25.954 24.714 23.285 25.648 . 0 0 "[ . 1]" 2
19 1 6 GLN QE 1 56 SER H 23.926 18.926 28.926 24.853 24.126 25.516 . 0 0 "[ . 1]" 2
20 1 6 GLN QE 1 57 ASN H 21.509 16.509 26.509 26.446 26.252 26.645 0.135 2 0 "[ . 1]" 2
21 1 6 GLN QE 1 58 SER H 26.077 21.077 31.077 27.304 26.949 27.799 . 0 0 "[ . 1]" 2
22 1 6 GLN QE 1 59 GLY H 25.750 20.750 30.750 27.344 26.660 28.026 . 0 0 "[ . 1]" 2
23 1 6 GLN QE 1 60 ILE H 22.263 17.263 27.263 26.607 25.518 27.304 0.041 4 0 "[ . 1]" 2
24 1 6 GLN QE 1 62 ASP H 24.756 19.756 29.756 25.612 24.874 26.823 . 0 0 "[ . 1]" 2
25 1 6 GLN QE 1 63 ALA H 23.023 18.023 28.023 24.765 23.651 25.814 . 0 0 "[ . 1]" 2
26 1 6 GLN QE 1 64 GLY H 23.158 18.158 28.158 22.847 21.693 24.047 . 0 0 "[ . 1]" 2
27 1 6 GLN QE 1 65 ALA H 23.216 18.216 28.216 21.357 20.400 22.171 . 0 0 "[ . 1]" 2
28 1 6 GLN QE 1 66 SER H 24.635 19.635 29.635 19.967 19.571 20.812 0.064 4 0 "[ . 1]" 2
29 1 6 GLN QE 1 68 ASN H 21.157 16.157 26.157 16.150 15.992 16.592 0.165 2 0 "[ . 1]" 2
30 1 6 GLN QE 1 74 GLN H 21.229 16.229 26.229 17.398 16.223 19.043 0.005 6 0 "[ . 1]" 2
31 1 6 GLN QE 1 76 PHE H 18.524 13.524 23.524 19.629 18.037 21.046 . 0 0 "[ . 1]" 2
32 1 6 GLN QE 1 78 TYR H 22.558 17.558 27.558 23.402 22.411 23.990 . 0 0 "[ . 1]" 2
33 1 6 GLN QE 1 79 ASP H 23.601 18.601 28.601 25.000 24.229 25.504 . 0 0 "[ . 1]" 2
34 1 6 GLN QE 1 84 SER H 25.455 20.455 30.455 30.029 29.543 30.445 . 0 0 "[ . 1]" 2
35 1 6 GLN QE 1 86 HIS H 23.769 18.769 28.769 25.662 25.198 26.093 . 0 0 "[ . 1]" 2
36 1 6 GLN QE 1 87 LYS H 20.294 15.294 25.294 22.036 21.474 22.365 . 0 0 "[ . 1]" 2
37 1 6 GLN QE 1 88 PHE H 20.557 15.557 25.557 18.806 18.086 19.620 . 0 0 "[ . 1]" 2
38 1 6 GLN QE 1 89 MET H 20.288 15.288 25.288 17.514 16.872 18.010 . 0 0 "[ . 1]" 2
39 1 6 GLN QE 1 90 VAL H 20.095 15.095 25.095 19.265 18.656 19.726 . 0 0 "[ . 1]" 2
40 1 6 GLN QE 1 91 GLN H 21.848 16.848 26.848 19.680 19.140 20.209 . 0 0 "[ . 1]" 2
41 1 6 GLN QE 1 92 SER H 22.526 17.526 27.526 20.467 20.138 20.951 . 0 0 "[ . 1]" 2
42 1 6 GLN QE 1 93 MET H 18.731 13.731 23.731 22.943 22.515 23.436 . 0 0 "[ . 1]" 2
43 1 6 GLN QE 1 95 ALA H 19.789 14.789 24.789 24.027 23.666 24.749 . 0 0 "[ . 1]" 2
44 1 6 GLN QE 1 97 THR H 18.586 13.586 23.586 23.277 22.229 23.616 0.030 9 0 "[ . 1]" 2
45 1 6 GLN QE 1 98 ASP H 20.468 15.468 25.468 21.215 20.173 21.570 . 0 0 "[ . 1]" 2
46 1 6 GLN QE 1 99 THR H 20.041 15.041 25.041 19.673 18.695 20.162 . 0 0 "[ . 1]" 2
47 1 6 GLN QE 1 100 SER H 21.222 16.222 26.222 19.609 18.911 20.293 . 0 0 "[ . 1]" 2
48 1 6 GLN QE 1 101 ASP H 18.861 13.861 23.861 18.669 18.222 19.319 . 0 0 "[ . 1]" 2
49 1 6 GLN QE 1 102 MET H 18.244 13.244 23.244 16.249 15.904 16.998 . 0 0 "[ . 1]" 2
50 1 6 GLN QE 1 103 GLU H 19.862 14.862 24.862 15.455 15.052 16.006 . 0 0 "[ . 1]" 2
51 1 6 GLN QE 1 104 ALA H 18.889 13.889 23.889 16.973 16.497 17.465 . 0 0 "[ . 1]" 2
52 1 6 GLN QE 1 105 VAL H 17.837 12.837 22.837 16.288 15.800 16.755 . 0 0 "[ . 1]" 2
53 1 6 GLN QE 1 106 TRP H 19.332 14.332 24.332 15.027 14.467 15.338 . 0 0 "[ . 1]" 2
54 1 6 GLN QE 1 107 LYS H 19.638 14.638 24.638 16.219 15.499 16.618 . 0 0 "[ . 1]" 2
55 1 6 GLN QE 1 108 GLU H 20.334 15.334 25.334 18.358 17.638 18.839 . 0 0 "[ . 1]" 2
56 1 6 GLN QE 1 109 ALA H 19.946 14.946 24.946 18.626 18.073 19.028 . 0 0 "[ . 1]" 2
57 1 6 GLN QE 1 112 GLU H 20.630 15.630 25.630 22.175 21.215 23.110 . 0 0 "[ . 1]" 2
58 1 6 GLN QE 1 113 ASP H 18.688 13.688 23.688 20.807 20.165 21.467 . 0 0 "[ . 1]" 2
59 1 6 GLN QE 1 114 LEU H 22.876 17.876 27.876 22.034 21.757 22.454 . 0 0 "[ . 1]" 2
60 1 6 GLN QE 1 115 MET H 18.796 13.796 23.796 23.633 23.296 23.853 0.057 9 0 "[ . 1]" 2
61 1 6 GLN QE 1 117 SER H 21.054 16.054 26.054 22.093 21.969 22.180 . 0 0 "[ . 1]" 2
62 1 6 GLN QE 1 118 LYS H 19.075 14.075 24.075 24.121 24.085 24.154 0.079 7 0 "[ . 1]" 2
63 1 6 GLN QE 1 124 GLU H 21.697 16.697 26.697 26.028 25.759 26.593 . 0 0 "[ . 1]" 2
64 1 2 ALA H 1 24 ASP OD1 15.394 10.394 20.394 19.479 17.998 20.392 . 0 0 "[ . 1]" 2
65 1 3 LYS H 1 24 ASP OD1 18.713 13.713 23.713 19.763 18.150 20.918 . 0 0 "[ . 1]" 2
66 1 4 VAL H 1 24 ASP OD1 15.683 10.683 20.683 19.763 18.541 20.691 0.008 7 0 "[ . 1]" 2
67 1 5 GLU H 1 24 ASP OD1 16.728 11.728 21.728 19.785 18.445 20.875 . 0 0 "[ . 1]" 2
68 1 9 SER H 1 24 ASP OD1 15.810 10.810 20.810 15.254 14.397 16.318 . 0 0 "[ . 1]" 2
69 1 10 LEU H 1 24 ASP OD1 16.553 11.553 21.553 14.496 11.472 16.778 0.081 1 0 "[ . 1]" 2
70 1 11 GLU H 1 24 ASP OD1 16.027 11.027 21.027 15.532 11.709 17.740 . 0 0 "[ . 1]" 2
71 1 14 HIS H 1 24 ASP OD1 18.578 13.578 23.578 13.525 13.509 13.548 0.069 3 0 "[ . 1]" 2
72 1 15 GLU H 1 24 ASP OD1 16.638 11.638 21.638 12.725 11.677 13.758 . 0 0 "[ . 1]" 2
73 1 16 LEU H 1 24 ASP OD1 14.903 9.903 19.903 11.121 9.925 12.728 . 0 0 "[ . 1]" 2
74 1 17 LYS H 1 24 ASP OD1 15.056 10.056 20.056 9.962 9.839 10.023 0.217 10 0 "[ . 1]" 2
75 1 24 ASP OD1 1 32 LEU H 17.283 12.283 22.283 12.307 12.196 12.777 0.087 3 0 "[ . 1]" 2
76 1 24 ASP OD1 1 34 ASN H 17.416 12.416 22.416 14.582 12.855 15.560 . 0 0 "[ . 1]" 2
77 1 24 ASP OD1 1 36 THR H 16.643 11.643 21.643 14.901 12.695 17.868 . 0 0 "[ . 1]" 2
78 1 24 ASP OD1 1 38 ARG H 17.707 12.707 22.707 17.800 15.969 21.053 . 0 0 "[ . 1]" 2
79 1 24 ASP OD1 1 39 ASN H 18.115 13.115 23.115 20.001 18.061 21.481 . 0 0 "[ . 1]" 2
80 1 24 ASP OD1 1 43 LYS H 15.518 10.518 20.518 19.039 17.901 20.558 0.040 10 0 "[ . 1]" 2
81 1 24 ASP OD1 1 45 LYS H 15.761 10.761 20.761 18.189 16.879 19.592 . 0 0 "[ . 1]" 2
82 1 24 ASP OD1 1 46 THR H 20.764 15.764 25.764 20.274 18.943 21.577 . 0 0 "[ . 1]" 2
83 1 24 ASP OD1 1 47 THR H 17.122 12.122 22.122 18.363 16.394 20.557 . 0 0 "[ . 1]" 2
84 1 24 ASP OD1 1 48 ALA H 16.047 11.047 21.047 16.551 12.815 19.365 . 0 0 "[ . 1]" 2
85 1 24 ASP OD1 1 53 CYS H 17.564 12.564 22.564 12.288 12.141 12.389 0.423 10 0 "[ . 1]" 2
86 1 24 ASP OD1 1 54 VAL H 16.247 11.247 21.247 11.762 11.203 13.018 0.044 8 0 "[ . 1]" 2
87 1 24 ASP OD1 1 55 ARG H 16.184 11.184 21.184 13.074 11.644 15.079 . 0 0 "[ . 1]" 2
88 1 24 ASP OD1 1 56 SER H 17.533 12.533 22.533 14.399 12.517 15.893 0.015 1 0 "[ . 1]" 2
89 1 24 ASP OD1 1 57 ASN H 17.802 12.802 22.802 16.251 12.769 18.494 0.033 1 0 "[ . 1]" 2
90 1 24 ASP OD1 1 58 SER H 19.375 14.375 24.375 18.278 14.756 20.293 . 0 0 "[ . 1]" 2
91 1 24 ASP OD1 1 59 GLY H 18.730 13.730 23.730 18.854 15.343 20.681 . 0 0 "[ . 1]" 2
92 1 24 ASP OD1 1 60 ILE H 16.061 11.061 21.061 18.510 16.504 20.672 . 0 0 "[ . 1]" 2
93 1 24 ASP OD1 1 62 ASP H 19.442 14.442 24.442 20.169 18.685 22.254 . 0 0 "[ . 1]" 2
94 1 24 ASP OD1 1 63 ALA H 17.784 12.784 22.784 18.634 17.382 20.620 . 0 0 "[ . 1]" 2
95 1 24 ASP OD1 1 64 GLY H 17.656 12.656 22.656 17.327 15.635 19.472 . 0 0 "[ . 1]" 2
96 1 24 ASP OD1 1 65 ALA H 17.055 12.055 22.055 16.700 15.279 18.079 . 0 0 "[ . 1]" 2
97 1 24 ASP OD1 1 66 SER H 17.609 12.609 22.609 15.144 13.629 17.259 . 0 0 "[ . 1]" 2
98 1 24 ASP OD1 1 67 ILE H 17.675 12.675 22.675 13.911 12.612 15.653 0.063 10 0 "[ . 1]" 2
99 1 24 ASP OD1 1 68 ASN H 16.110 11.110 21.110 13.489 12.612 14.548 . 0 0 "[ . 1]" 2
100 1 24 ASP OD1 1 69 VAL H 17.621 12.621 22.621 12.789 12.552 14.080 0.070 9 0 "[ . 1]" 2
101 1 24 ASP OD1 1 76 PHE H 14.463 9.463 19.463 18.932 17.305 19.526 0.062 2 0 "[ . 1]" 2
102 1 24 ASP OD1 1 78 TYR H 18.514 13.514 23.514 21.601 19.491 23.506 . 0 0 "[ . 1]" 2
103 1 24 ASP OD1 1 79 ASP H 19.119 14.119 24.119 22.393 21.661 23.633 . 0 0 "[ . 1]" 2
104 1 24 ASP OD1 1 81 ASN H 19.845 14.845 24.845 24.438 24.189 24.772 . 0 0 "[ . 1]" 2
105 1 24 ASP OD1 1 82 GLU H 19.904 14.904 24.904 25.025 24.968 25.077 0.174 9 0 "[ . 1]" 2
106 1 24 ASP OD1 1 84 SER H 18.082 13.082 23.082 22.030 21.548 22.669 . 0 0 "[ . 1]" 2
107 1 24 ASP OD1 1 85 LYS H 19.398 14.398 24.398 21.871 21.135 22.743 . 0 0 "[ . 1]" 2
108 1 24 ASP OD1 1 86 HIS H 19.403 14.403 24.403 21.082 20.801 21.388 . 0 0 "[ . 1]" 2
109 1 24 ASP OD1 1 87 LYS H 18.647 13.647 23.647 18.665 17.918 19.664 . 0 0 "[ . 1]" 2
110 1 24 ASP OD1 1 88 PHE H 17.242 12.242 22.242 18.794 18.204 19.411 . 0 0 "[ . 1]" 2
111 1 24 ASP OD1 1 89 MET H 16.965 11.965 21.965 19.640 19.085 20.094 . 0 0 "[ . 1]" 2
112 1 24 ASP OD1 1 90 VAL H 16.826 11.826 21.826 20.436 20.135 20.824 . 0 0 "[ . 1]" 2
113 1 24 ASP OD1 1 91 GLN H 17.930 12.930 22.930 18.659 18.472 18.943 . 0 0 "[ . 1]" 2
114 1 24 ASP OD1 1 92 SER H 18.394 13.394 23.394 19.094 18.793 19.413 . 0 0 "[ . 1]" 2
115 1 24 ASP OD1 1 93 MET H 15.103 10.103 20.103 20.212 20.144 20.255 0.153 8 0 "[ . 1]" 2
116 1 24 ASP OD1 1 95 ALA H 17.932 12.932 22.932 18.395 18.067 18.640 . 0 0 "[ . 1]" 2
117 1 24 ASP OD1 1 97 THR H 16.939 11.939 21.939 17.476 15.931 18.948 . 0 0 "[ . 1]" 2
118 1 24 ASP OD1 1 99 THR H 17.855 12.855 22.855 17.565 16.069 18.662 . 0 0 "[ . 1]" 2
119 1 24 ASP OD1 1 100 SER H 17.927 12.927 22.927 18.857 18.302 19.311 . 0 0 "[ . 1]" 2
120 1 24 ASP OD1 1 101 ASP H 17.185 12.185 22.185 17.281 16.391 18.238 . 0 0 "[ . 1]" 2
121 1 24 ASP OD1 1 102 MET H 17.197 12.197 22.197 16.895 16.333 17.828 . 0 0 "[ . 1]" 2
122 1 24 ASP OD1 1 103 GLU H 17.554 12.554 22.554 18.724 18.138 19.575 . 0 0 "[ . 1]" 2
123 1 24 ASP OD1 1 104 ALA H 17.790 12.790 22.790 18.863 18.292 19.573 . 0 0 "[ . 1]" 2
124 1 24 ASP OD1 1 105 VAL H 16.653 11.653 21.653 16.850 16.272 17.560 . 0 0 "[ . 1]" 2
125 1 24 ASP OD1 1 106 TRP H 17.419 12.419 22.419 17.327 16.666 17.658 . 0 0 "[ . 1]" 2
126 1 24 ASP OD1 1 107 LYS H 17.460 12.460 22.460 19.192 18.577 19.482 . 0 0 "[ . 1]" 2
127 1 24 ASP OD1 1 108 GLU H 18.062 13.062 23.062 19.202 18.774 19.390 . 0 0 "[ . 1]" 2
128 1 24 ASP OD1 1 109 ALA H 17.292 12.292 22.292 18.167 17.365 18.609 . 0 0 "[ . 1]" 2
129 1 24 ASP OD1 1 110 LYS H 15.495 10.495 20.495 16.049 15.743 16.364 . 0 0 "[ . 1]" 2
130 1 24 ASP OD1 1 112 GLU H 16.783 11.783 21.783 16.844 15.866 17.722 . 0 0 "[ . 1]" 2
131 1 24 ASP OD1 1 113 ASP H 17.491 12.491 22.491 15.067 14.371 16.006 . 0 0 "[ . 1]" 2
132 1 24 ASP OD1 1 114 LEU H 16.988 11.988 21.988 13.554 12.219 14.217 . 0 0 "[ . 1]" 2
133 1 24 ASP OD1 1 115 MET H 17.072 12.072 22.072 14.566 13.457 14.973 . 0 0 "[ . 1]" 2
134 1 24 ASP OD1 1 116 ASP H 16.577 11.577 21.577 14.344 14.199 14.480 . 0 0 "[ . 1]" 2
135 1 24 ASP OD1 1 118 LYS H 16.945 11.945 21.945 11.885 11.842 11.933 0.103 7 0 "[ . 1]" 2
136 1 24 ASP OD1 1 119 LEU H 16.863 11.863 21.863 13.211 12.974 13.488 . 0 0 "[ . 1]" 2
137 1 24 ASP OD1 1 120 ARG H 16.976 11.976 21.976 12.621 12.202 13.324 . 0 0 "[ . 1]" 2
138 1 24 ASP OD1 1 123 PHE H 17.420 12.420 22.420 13.592 13.193 14.201 . 0 0 "[ . 1]" 2
139 1 24 ASP OD1 1 124 GLU H 17.287 12.287 22.287 12.457 12.216 12.832 0.071 10 0 "[ . 1]" 2
140 1 13 GLN H 1 24 ASP OD1 10.000 5.000 15.000 14.005 12.233 14.750 . 0 0 "[ . 1]" 2
141 1 24 ASP OD1 1 33 GLY H 10.000 5.000 15.000 12.377 11.171 13.059 . 0 0 "[ . 1]" 2
142 1 24 ASP OD1 1 44 VAL H 12.800 7.800 17.800 16.806 14.538 17.952 0.152 1 0 "[ . 1]" 2
143 1 2 ALA H 1 53 CYS HG 19.614 14.614 24.614 21.545 19.757 22.972 . 0 0 "[ . 1]" 2
144 1 5 GLU H 1 53 CYS HG 20.412 15.412 25.412 24.295 23.081 25.313 . 0 0 "[ . 1]" 2
145 1 9 SER H 1 53 CYS HG 23.072 18.072 28.072 20.677 19.809 21.701 . 0 0 "[ . 1]" 2
146 1 11 GLU H 1 53 CYS HG 21.125 16.125 26.125 22.661 18.877 24.978 . 0 0 "[ . 1]" 2
147 1 13 GLN H 1 53 CYS HG 17.941 12.941 22.941 22.128 20.569 22.854 . 0 0 "[ . 1]" 2
148 1 15 GLU H 1 53 CYS HG 21.077 16.077 26.077 19.778 18.730 21.035 . 0 0 "[ . 1]" 2
149 1 16 LEU H 1 53 CYS HG 16.561 11.561 21.561 17.226 16.033 18.386 . 0 0 "[ . 1]" 2
150 1 20 GLY H 1 53 CYS HG 20.098 15.098 25.098 15.721 15.005 17.565 0.093 9 0 "[ . 1]" 2
151 1 23 THR H 1 53 CYS HG 17.085 12.085 22.085 14.346 12.009 15.766 0.076 10 0 "[ . 1]" 2
152 1 32 LEU H 1 53 CYS HG 21.448 16.448 26.448 16.475 16.371 16.632 0.077 6 0 "[ . 1]" 2
153 1 34 ASN H 1 53 CYS HG 19.701 14.701 24.701 16.577 14.695 17.574 0.006 2 0 "[ . 1]" 2
154 1 36 THR H 1 53 CYS HG 18.794 13.794 23.794 15.288 13.772 17.473 0.023 7 0 "[ . 1]" 2
155 1 38 ARG H 1 53 CYS HG 19.714 14.714 24.714 17.117 15.699 18.485 . 0 0 "[ . 1]" 2
156 1 39 ASN H 1 53 CYS HG 16.508 11.508 21.508 19.344 17.377 21.475 . 0 0 "[ . 1]" 2
157 1 43 LYS H 1 53 CYS HG 22.439 17.439 27.439 17.591 17.416 17.981 0.022 8 0 "[ . 1]" 2
158 1 46 THR H 1 53 CYS HG 21.741 16.741 26.741 16.725 16.646 16.831 0.095 1 0 "[ . 1]" 2
159 1 53 CYS HG 1 60 ILE H 17.138 12.138 22.138 14.475 13.121 16.856 . 0 0 "[ . 1]" 2
160 1 53 CYS HG 1 62 ASP H 21.078 16.078 26.078 16.090 15.907 16.870 0.171 10 0 "[ . 1]" 2
161 1 53 CYS HG 1 67 ILE H 12.957 7.957 17.957 10.046 9.199 10.922 . 0 0 "[ . 1]" 2
162 1 53 CYS HG 1 68 ASN H 13.971 8.971 18.971 10.262 9.714 10.813 . 0 0 "[ . 1]" 2
163 1 53 CYS HG 1 74 GLN H 17.079 12.079 22.079 18.557 16.709 21.174 . 0 0 "[ . 1]" 2
164 1 53 CYS HG 1 78 TYR H 17.392 12.392 22.392 16.575 13.203 18.926 . 0 0 "[ . 1]" 2
165 1 53 CYS HG 1 79 ASP H 19.480 14.480 24.480 17.197 15.589 18.428 . 0 0 "[ . 1]" 2
166 1 53 CYS HG 1 81 ASN H 24.199 19.199 29.199 19.105 19.060 19.169 0.139 4 0 "[ . 1]" 2
167 1 53 CYS HG 1 82 GLU H 23.274 18.274 28.274 19.894 19.536 20.132 . 0 0 "[ . 1]" 2
168 1 53 CYS HG 1 84 SER H 21.260 16.260 26.260 16.592 16.202 17.266 0.058 2 0 "[ . 1]" 2
169 1 53 CYS HG 1 86 HIS H 21.151 16.151 26.151 16.070 16.034 16.100 0.117 4 0 "[ . 1]" 2
170 1 53 CYS HG 1 90 VAL H 17.344 12.344 22.344 17.560 17.254 17.800 . 0 0 "[ . 1]" 2
171 1 53 CYS HG 1 91 GLN H 18.586 13.586 23.586 15.718 15.421 15.909 . 0 0 "[ . 1]" 2
172 1 53 CYS HG 1 92 SER H 19.003 14.003 24.003 16.913 16.525 17.187 . 0 0 "[ . 1]" 2
173 1 53 CYS HG 1 93 MET H 15.506 10.506 20.506 17.748 17.386 18.107 . 0 0 "[ . 1]" 2
174 1 53 CYS HG 1 95 ALA H 16.427 11.427 21.427 16.175 15.604 16.688 . 0 0 "[ . 1]" 2
175 1 53 CYS HG 1 97 THR H 18.153 13.153 23.153 17.272 15.190 19.092 . 0 0 "[ . 1]" 2
176 1 53 CYS HG 1 99 THR H 19.012 14.012 24.012 17.343 15.889 18.511 . 0 0 "[ . 1]" 2
177 1 53 CYS HG 1 100 SER H 21.421 16.421 26.421 19.536 18.624 20.233 . 0 0 "[ . 1]" 2
178 1 53 CYS HG 1 101 ASP H 18.944 13.944 23.944 18.553 17.585 19.339 . 0 0 "[ . 1]" 2
179 1 53 CYS HG 1 102 MET H 17.234 12.234 22.234 18.401 17.852 19.216 . 0 0 "[ . 1]" 2
180 1 53 CYS HG 1 103 GLU H 19.349 14.349 24.349 20.974 20.378 21.817 . 0 0 "[ . 1]" 2
181 1 53 CYS HG 1 104 ALA H 20.662 15.662 25.662 21.801 21.076 22.318 . 0 0 "[ . 1]" 2
182 1 53 CYS HG 1 105 VAL H 16.735 11.735 21.735 20.352 19.828 20.964 . 0 0 "[ . 1]" 2
183 1 53 CYS HG 1 106 TRP H 19.274 14.274 24.274 21.717 20.624 22.305 . 0 0 "[ . 1]" 2
184 1 53 CYS HG 1 107 LYS H 20.577 15.577 25.577 23.904 22.889 24.225 . 0 0 "[ . 1]" 2
185 1 53 CYS HG 1 108 GLU H 21.034 16.034 26.034 24.069 23.744 24.470 . 0 0 "[ . 1]" 2
186 1 53 CYS HG 1 109 ALA H 19.546 14.546 24.546 23.725 22.958 24.144 . 0 0 "[ . 1]" 2
187 1 53 CYS HG 1 110 LYS H 17.601 12.601 22.601 22.653 22.624 22.684 0.083 5 0 "[ . 1]" 2
188 1 53 CYS HG 1 112 GLU H 18.925 13.925 23.925 22.383 21.538 23.207 . 0 0 "[ . 1]" 2
189 1 53 CYS HG 1 113 ASP H 18.151 13.151 23.151 20.029 19.309 20.877 . 0 0 "[ . 1]" 2
190 1 53 CYS HG 1 114 LEU H 16.326 11.326 21.326 18.635 17.228 19.268 . 0 0 "[ . 1]" 2
191 1 53 CYS HG 1 115 MET H 18.385 13.385 23.385 18.853 17.881 19.376 . 0 0 "[ . 1]" 2
192 1 53 CYS HG 1 117 SER H 18.753 13.753 23.753 15.202 15.022 15.573 . 0 0 "[ . 1]" 2
193 1 53 CYS HG 1 118 LYS H 18.761 13.761 23.761 14.806 14.248 15.521 . 0 0 "[ . 1]" 2
194 1 17 LYS H 1 53 CYS HG 10.000 5.000 15.000 15.083 15.003 15.172 0.172 10 0 "[ . 1]" 2
195 1 30 LEU H 1 53 CYS HG 10.000 5.000 15.000 15.062 14.767 15.302 0.302 10 0 "[ . 1]" 2
196 1 33 GLY H 1 53 CYS HG 10.000 5.000 15.000 14.876 14.084 15.093 0.093 1 0 "[ . 1]" 2
197 1 37 ASP H 1 53 CYS HG 10.000 5.000 15.000 14.856 14.246 15.064 0.064 10 0 "[ . 1]" 2
198 1 44 VAL H 1 53 CYS HG 10.000 5.000 15.000 14.373 13.210 15.050 0.050 1 0 "[ . 1]" 2
199 1 45 LYS H 1 53 CYS HG 10.000 5.000 15.000 14.984 14.583 15.088 0.088 2 0 "[ . 1]" 2
200 1 47 THR H 1 53 CYS HG 10.000 5.000 15.000 14.177 13.487 14.834 . 0 0 "[ . 1]" 2
201 1 48 ALA H 1 53 CYS HG 10.000 5.000 15.000 12.155 10.263 13.704 . 0 0 "[ . 1]" 2
202 1 53 CYS HG 1 58 SER H 10.000 5.000 15.000 13.335 12.360 14.538 . 0 0 "[ . 1]" 2
203 1 53 CYS HG 1 59 GLY H 10.000 5.000 15.000 14.518 13.496 15.091 0.091 8 0 "[ . 1]" 2
204 1 53 CYS HG 1 63 ALA H 10.000 5.000 15.000 14.205 13.764 15.132 0.132 2 0 "[ . 1]" 2
205 1 53 CYS HG 1 64 GLY H 10.000 5.000 15.000 13.130 12.175 14.632 . 0 0 "[ . 1]" 2
206 1 53 CYS HG 1 65 ALA H 10.000 5.000 15.000 12.198 11.063 13.176 . 0 0 "[ . 1]" 2
207 1 53 CYS HG 1 66 SER H 10.000 5.000 15.000 10.543 9.333 12.996 . 0 0 "[ . 1]" 2
208 1 53 CYS HG 1 69 VAL H 10.000 5.000 15.000 11.068 9.253 12.116 . 0 0 "[ . 1]" 2
209 1 53 CYS HG 1 70 SER H 10.000 5.000 15.000 12.566 10.848 13.716 . 0 0 "[ . 1]" 2
210 1 53 CYS HG 1 71 VAL H 10.000 5.000 15.000 13.832 13.040 14.907 . 0 0 "[ . 1]" 2
211 1 53 CYS HG 1 76 PHE H 10.000 5.000 15.000 14.409 11.570 15.027 0.027 1 0 "[ . 1]" 2
212 1 53 CYS HG 1 87 LYS H 10.000 5.000 15.000 14.231 13.607 15.030 0.030 8 0 "[ . 1]" 2
213 1 53 CYS HG 1 88 PHE H 10.000 5.000 15.000 15.059 14.920 15.138 0.138 4 0 "[ . 1]" 2
214 1 53 CYS HG 1 89 MET H 12.000 7.000 17.000 16.852 16.552 17.029 0.029 3 0 "[ . 1]" 2
215 1 53 CYS HG 1 98 ASP H 12.800 7.800 17.800 16.164 14.966 17.344 . 0 0 "[ . 1]" 2
216 1 53 CYS HG 1 116 ASP H 12.500 7.500 17.500 17.521 17.406 17.583 0.083 8 0 "[ . 1]" 2
217 1 9 SER H 1 68 ASN QD 15.930 10.930 20.930 11.847 10.891 12.942 0.040 1 0 "[ . 1]" 2
218 1 10 LEU H 1 68 ASN QD 15.297 10.297 20.297 13.298 10.530 14.993 . 0 0 "[ . 1]" 2
219 1 13 GLN H 1 68 ASN QD 15.628 10.628 20.628 15.895 14.650 16.477 . 0 0 "[ . 1]" 2
220 1 14 HIS H 1 68 ASN QD 16.885 11.885 21.885 14.847 14.124 15.922 . 0 0 "[ . 1]" 2
221 1 15 GLU H 1 68 ASN QD 14.632 9.632 19.632 14.089 12.845 15.195 . 0 0 "[ . 1]" 2
222 1 18 PHE H 1 68 ASN QD 16.298 11.298 21.298 12.692 11.274 14.690 0.024 4 0 "[ . 1]" 2
223 1 20 GLY H 1 68 ASN QD 20.510 15.510 25.510 15.467 15.376 15.626 0.135 10 0 "[ . 1]" 2
224 1 26 VAL H 1 68 ASN QD 16.572 11.572 21.572 12.976 12.164 14.651 . 0 0 "[ . 1]" 2
225 1 27 THR H 1 68 ASN QD 16.953 11.953 21.953 13.128 12.553 14.270 . 0 0 "[ . 1]" 2
226 1 28 THR H 1 68 ASN QD 15.608 10.608 20.608 11.164 10.566 12.053 0.042 8 0 "[ . 1]" 2
227 1 32 LEU H 1 68 ASN QD 16.467 11.467 21.467 12.589 11.641 13.577 . 0 0 "[ . 1]" 2
228 1 34 ASN H 1 68 ASN QD 18.576 13.576 23.576 13.614 13.503 14.029 0.073 8 0 "[ . 1]" 2
229 1 36 THR H 1 68 ASN QD 18.044 13.044 23.044 14.739 13.571 16.628 . 0 0 "[ . 1]" 2
230 1 37 ASP H 1 68 ASN QD 16.453 11.453 21.453 15.341 11.703 17.234 . 0 0 "[ . 1]" 2
231 1 38 ARG H 1 68 ASN QD 18.743 13.743 23.743 17.319 15.418 19.391 . 0 0 "[ . 1]" 2
232 1 39 ASN H 1 68 ASN QD 18.698 13.698 23.698 18.413 16.336 20.811 . 0 0 "[ . 1]" 2
233 1 42 PHE H 1 68 ASN QD 17.240 12.240 22.240 16.016 13.967 18.223 . 0 0 "[ . 1]" 2
234 1 43 LYS H 1 68 ASN QD 17.034 12.034 22.034 14.694 13.032 18.061 . 0 0 "[ . 1]" 2
235 1 44 VAL H 1 68 ASN QD 14.363 9.363 19.363 12.005 10.944 13.982 . 0 0 "[ . 1]" 2
236 1 46 THR H 1 68 ASN QD 17.879 12.879 22.879 15.311 14.505 16.642 . 0 0 "[ . 1]" 2
237 1 48 ALA H 1 68 ASN QD 15.467 10.467 20.467 14.766 11.880 16.705 . 0 0 "[ . 1]" 2
238 1 53 CYS H 1 68 ASN QD 18.085 13.085 23.085 13.054 12.978 13.385 0.107 10 0 "[ . 1]" 2
239 1 58 SER H 1 68 ASN QD 15.578 10.578 20.578 16.291 15.592 16.737 . 0 0 "[ . 1]" 2
240 1 59 GLY H 1 68 ASN QD 21.444 16.444 26.444 16.958 16.430 17.450 0.014 1 0 "[ . 1]" 2
241 1 60 ILE H 1 68 ASN QD 19.184 14.184 24.184 16.592 15.544 17.777 . 0 0 "[ . 1]" 2
242 1 62 ASP H 1 68 ASN QD 15.339 10.339 20.339 16.360 15.989 16.662 . 0 0 "[ . 1]" 2
243 1 63 ALA H 1 68 ASN QD 20.067 15.067 25.067 14.941 14.775 15.049 0.293 2 0 "[ . 1]" 2
244 1 68 ASN QD 1 81 ASN H 17.728 12.728 22.728 18.706 18.028 19.846 . 0 0 "[ . 1]" 2
245 1 68 ASN QD 1 82 GLU H 17.973 12.973 22.973 19.866 18.966 21.027 . 0 0 "[ . 1]" 2
246 1 68 ASN QD 1 84 SER H 17.977 12.977 22.977 18.141 17.372 18.597 . 0 0 "[ . 1]" 2
247 1 68 ASN QD 1 85 LYS H 17.574 12.574 22.574 16.935 15.668 17.642 . 0 0 "[ . 1]" 2
248 1 68 ASN QD 1 86 HIS H 16.455 11.455 21.455 14.728 13.643 15.549 . 0 0 "[ . 1]" 2
249 1 68 ASN QD 1 92 SER H 14.241 9.241 19.241 11.546 10.516 12.275 . 0 0 "[ . 1]" 2
250 1 68 ASN QD 1 97 THR H 13.804 8.804 18.804 14.199 13.161 15.050 . 0 0 "[ . 1]" 2
251 1 68 ASN QD 1 99 THR H 16.597 11.597 21.597 11.724 11.468 12.319 0.129 7 0 "[ . 1]" 2
252 1 68 ASN QD 1 100 SER H 16.083 11.083 21.083 13.129 12.711 13.440 . 0 0 "[ . 1]" 2
253 1 68 ASN QD 1 101 ASP H 15.278 10.278 20.278 12.213 11.539 13.107 . 0 0 "[ . 1]" 2
254 1 68 ASN QD 1 102 MET H 14.700 9.700 19.700 10.737 9.911 11.755 . 0 0 "[ . 1]" 2
255 1 68 ASN QD 1 103 GLU H 15.742 10.742 20.742 12.249 11.539 13.293 . 0 0 "[ . 1]" 2
256 1 68 ASN QD 1 104 ALA H 17.002 12.002 22.002 13.779 12.917 14.478 . 0 0 "[ . 1]" 2
257 1 68 ASN QD 1 105 VAL H 14.160 9.160 19.160 12.775 12.281 13.412 . 0 0 "[ . 1]" 2
258 1 68 ASN QD 1 106 TRP H 16.773 11.773 21.773 13.422 12.343 14.133 . 0 0 "[ . 1]" 2
259 1 68 ASN QD 1 107 LYS H 16.535 11.535 21.535 15.441 14.298 16.164 . 0 0 "[ . 1]" 2
260 1 68 ASN QD 1 108 GLU H 16.150 11.150 21.150 16.517 16.094 17.223 . 0 0 "[ . 1]" 2
261 1 68 ASN QD 1 109 ALA H 15.835 10.835 20.835 16.695 16.210 17.189 . 0 0 "[ . 1]" 2
262 1 68 ASN QD 1 110 LYS H 16.928 11.928 21.928 17.101 16.825 17.445 . 0 0 "[ . 1]" 2
263 1 68 ASN QD 1 112 GLU H 15.344 10.344 20.344 17.670 16.877 18.782 . 0 0 "[ . 1]" 2
264 1 68 ASN QD 1 113 ASP H 16.454 11.454 21.454 15.521 14.848 16.618 . 0 0 "[ . 1]" 2
265 1 68 ASN QD 1 114 LEU H 15.660 10.660 20.660 15.577 14.616 16.379 . 0 0 "[ . 1]" 2
266 1 68 ASN QD 1 115 MET H 15.210 10.210 20.210 16.413 15.906 16.908 . 0 0 "[ . 1]" 2
267 1 68 ASN QD 1 118 LYS H 15.437 10.437 20.437 14.729 14.007 15.463 . 0 0 "[ . 1]" 2
268 1 68 ASN QD 1 119 LEU H 16.798 11.798 21.798 14.911 14.371 15.724 . 0 0 "[ . 1]" 2
269 1 68 ASN QD 1 120 ARG H 17.517 12.517 22.517 13.102 12.503 13.792 0.014 10 0 "[ . 1]" 2
270 1 68 ASN QD 1 124 GLU H 17.921 12.921 22.921 13.684 13.024 14.213 . 0 0 "[ . 1]" 2
271 1 2 ALA H 1 68 ASN QD 10.000 5.000 15.000 12.497 11.541 13.718 . 0 0 "[ . 1]" 2
272 1 5 GLU H 1 68 ASN QD 10.000 5.000 15.000 14.261 13.791 15.030 0.030 3 0 "[ . 1]" 2
273 1 11 GLU H 1 68 ASN QD 12.000 7.000 17.000 14.993 12.253 17.031 0.031 9 0 "[ . 1]" 2
274 1 16 LEU H 1 68 ASN QD 10.000 5.000 15.000 12.255 11.524 13.108 . 0 0 "[ . 1]" 2
275 1 17 LYS H 1 68 ASN QD 10.000 5.000 15.000 11.249 10.346 13.071 . 0 0 "[ . 1]" 2
276 1 22 PHE H 1 68 ASN QD 10.000 5.000 15.000 14.405 13.546 15.221 0.221 6 0 "[ . 1]" 2
277 1 23 THR H 1 68 ASN QD 10.000 5.000 15.000 15.043 14.715 15.196 0.196 8 0 "[ . 1]" 2
278 1 33 GLY H 1 68 ASN QD 10.000 5.000 15.000 11.398 10.780 12.717 . 0 0 "[ . 1]" 2
279 1 45 LYS H 1 68 ASN QD 10.000 5.000 15.000 13.034 12.058 14.583 . 0 0 "[ . 1]" 2
280 1 47 THR H 1 68 ASN QD 10.000 5.000 15.000 14.578 13.292 15.106 0.106 9 0 "[ . 1]" 2
281 1 55 ARG H 1 68 ASN QD 10.000 5.000 15.000 12.510 11.362 13.682 . 0 0 "[ . 1]" 2
282 1 56 SER H 1 68 ASN QD 10.000 5.000 15.000 13.348 12.237 14.558 . 0 0 "[ . 1]" 2
283 1 57 ASN H 1 68 ASN QD 11.000 6.000 16.000 14.976 14.131 15.410 . 0 0 "[ . 1]" 2
284 1 68 ASN QD 1 74 GLN H 10.000 5.000 15.000 11.446 9.277 14.081 . 0 0 "[ . 1]" 2
285 1 68 ASN QD 1 78 TYR H 10.000 5.000 15.000 13.732 13.086 14.581 . 0 0 "[ . 1]" 2
286 1 68 ASN QD 1 79 ASP H 10.000 5.000 15.000 15.057 15.004 15.113 0.113 7 0 "[ . 1]" 2
287 1 68 ASN QD 1 87 LYS H 10.000 5.000 15.000 11.263 10.503 12.520 . 0 0 "[ . 1]" 2
288 1 68 ASN QD 1 88 PHE H 10.000 5.000 15.000 9.259 7.452 10.045 . 0 0 "[ . 1]" 2
289 1 68 ASN QD 1 89 MET H 10.000 5.000 15.000 9.405 7.719 10.044 . 0 0 "[ . 1]" 2
290 1 68 ASN QD 1 90 VAL H 10.000 5.000 15.000 10.977 9.451 11.623 . 0 0 "[ . 1]" 2
291 1 68 ASN QD 1 91 GLN H 10.000 5.000 15.000 10.242 8.945 10.830 . 0 0 "[ . 1]" 2
292 1 68 ASN QD 1 93 MET H 10.000 5.000 15.000 13.628 12.583 14.312 . 0 0 "[ . 1]" 2
293 1 68 ASN QD 1 94 PHE H 10.000 5.000 15.000 13.859 12.742 14.775 . 0 0 "[ . 1]" 2
294 1 68 ASN QD 1 95 ALA H 10.000 5.000 15.000 13.819 13.126 14.677 . 0 0 "[ . 1]" 2
295 1 68 ASN QD 1 116 ASP H 10.000 5.000 15.000 14.869 14.537 15.122 0.122 7 0 "[ . 1]" 2
296 1 68 ASN QD 1 117 SER H 10.000 5.000 15.000 13.447 12.983 13.962 . 0 0 "[ . 1]" 2
297 1 68 ASN QD 1 121 CYS H 10.000 5.000 15.000 12.984 12.497 13.539 . 0 0 "[ . 1]" 2
298 1 68 ASN QD 1 125 LEU H 10.000 5.000 15.000 14.899 14.614 15.018 0.018 10 0 "[ . 1]" 2
299 1 2 ALA H 1 89 MET ME 21.287 16.287 26.287 16.747 16.271 17.635 0.016 2 0 "[ . 1]" 2
300 1 5 GLU H 1 89 MET ME 23.050 18.050 28.050 17.997 17.951 18.053 0.098 2 0 "[ . 1]" 2
301 1 10 LEU H 1 89 MET ME 20.842 15.842 25.842 19.465 17.757 20.718 . 0 0 "[ . 1]" 2
302 1 11 GLU H 1 89 MET ME 24.266 19.266 29.266 20.611 19.235 22.473 0.031 3 0 "[ . 1]" 2
303 1 13 GLN H 1 89 MET ME 20.490 15.490 25.490 21.563 20.754 22.316 . 0 0 "[ . 1]" 2
304 1 14 HIS H 1 89 MET ME 24.448 19.448 29.448 20.152 19.530 20.623 . 0 0 "[ . 1]" 2
305 1 15 GLU H 1 89 MET ME 23.893 18.893 28.893 18.968 18.848 19.381 0.045 8 0 "[ . 1]" 2
306 1 16 LEU H 1 89 MET ME 16.902 11.902 21.902 17.438 16.657 18.138 . 0 0 "[ . 1]" 2
307 1 17 LYS H 1 89 MET ME 17.323 12.323 22.323 16.692 16.331 17.864 . 0 0 "[ . 1]" 2
308 1 20 GLY H 1 89 MET ME 24.133 19.133 29.133 22.767 21.874 23.535 . 0 0 "[ . 1]" 2
309 1 22 PHE H 1 89 MET ME 18.970 13.970 23.970 22.414 20.373 23.972 0.001 10 0 "[ . 1]" 2
310 1 23 THR H 1 89 MET ME 21.093 16.093 26.093 23.539 22.274 24.331 . 0 0 "[ . 1]" 2
311 1 26 VAL H 1 89 MET ME 23.566 18.566 28.566 22.067 20.267 24.004 . 0 0 "[ . 1]" 2
312 1 27 THR H 1 89 MET ME 24.503 19.503 29.503 22.607 21.689 23.879 . 0 0 "[ . 1]" 2
313 1 32 LEU H 1 89 MET ME 22.201 17.201 27.201 21.198 20.708 21.781 . 0 0 "[ . 1]" 2
314 1 33 GLY H 1 89 MET ME 18.713 13.713 23.713 20.088 19.065 21.286 . 0 0 "[ . 1]" 2
315 1 34 ASN H 1 89 MET ME 25.628 20.628 30.628 21.749 20.912 22.595 . 0 0 "[ . 1]" 2
316 1 36 THR H 1 89 MET ME 25.685 20.685 30.685 22.879 20.666 24.326 0.019 8 0 "[ . 1]" 2
317 1 37 ASP H 1 89 MET ME 19.443 14.443 24.443 23.192 18.268 24.478 0.035 2 0 "[ . 1]" 2
318 1 38 ARG H 1 89 MET ME 25.236 20.236 30.236 24.547 20.528 27.192 . 0 0 "[ . 1]" 2
319 1 39 ASN H 1 89 MET ME 27.077 22.077 32.077 24.921 22.055 27.337 0.022 8 0 "[ . 1]" 2
320 1 42 PHE H 1 89 MET ME 19.922 14.922 24.922 21.207 18.571 25.001 0.080 8 0 "[ . 1]" 2
321 1 43 LYS H 1 89 MET ME 20.972 15.972 25.972 20.362 16.302 25.798 . 0 0 "[ . 1]" 2
322 1 44 VAL H 1 89 MET ME 21.349 16.349 26.349 18.108 16.225 22.319 0.124 9 0 "[ . 1]" 2
323 1 45 LYS H 1 89 MET ME 19.482 14.482 24.482 18.273 15.557 22.036 . 0 0 "[ . 1]" 2
324 1 46 THR H 1 89 MET ME 16.314 11.314 21.314 19.675 16.722 21.357 0.043 8 0 "[ . 1]" 2
325 1 47 THR H 1 89 MET ME 23.523 18.523 28.523 19.784 18.424 21.579 0.099 9 0 "[ . 1]" 2
326 1 48 ALA H 1 89 MET ME 23.101 18.101 28.101 20.891 18.056 23.498 0.045 9 0 "[ . 1]" 2
327 1 53 CYS H 1 89 MET ME 24.498 19.498 29.498 19.603 19.447 20.167 0.052 1 0 "[ . 1]" 2
328 1 55 ARG H 1 89 MET ME 18.756 13.756 23.756 19.384 16.593 21.238 . 0 0 "[ . 1]" 2
329 1 56 SER H 1 89 MET ME 21.108 16.108 26.108 20.143 18.107 21.454 . 0 0 "[ . 1]" 2
330 1 57 ASN H 1 89 MET ME 21.470 16.470 26.470 20.901 18.951 23.012 . 0 0 "[ . 1]" 2
331 1 58 SER H 1 89 MET ME 24.232 19.232 29.232 21.485 19.665 24.426 . 0 0 "[ . 1]" 2
332 1 59 GLY H 1 89 MET ME 21.802 16.802 26.802 22.387 20.545 24.009 . 0 0 "[ . 1]" 2
333 1 60 ILE H 1 89 MET ME 18.290 13.290 23.290 22.334 20.154 23.402 0.112 1 0 "[ . 1]" 2
334 1 62 ASP H 1 89 MET ME 16.441 11.441 21.441 20.982 18.918 21.660 0.219 9 0 "[ . 1]" 2
335 1 63 ALA H 1 89 MET ME 19.983 14.983 24.983 19.966 18.095 20.993 . 0 0 "[ . 1]" 2
336 1 64 GLY H 1 89 MET ME 19.925 14.925 24.925 18.663 16.594 20.127 . 0 0 "[ . 1]" 2
337 1 65 ALA H 1 89 MET ME 19.170 14.170 24.170 16.695 16.051 17.525 . 0 0 "[ . 1]" 2
338 1 66 SER H 1 89 MET ME 18.908 13.908 23.908 15.298 14.509 16.053 . 0 0 "[ . 1]" 2
339 1 67 ILE H 1 89 MET ME 16.173 11.173 21.173 14.230 12.418 15.231 . 0 0 "[ . 1]" 2
340 1 69 VAL H 1 89 MET ME 14.183 9.183 19.183 12.747 10.778 13.968 . 0 0 "[ . 1]" 2
341 1 70 SER H 1 89 MET ME 13.685 8.685 18.685 13.278 12.077 14.331 . 0 0 "[ . 1]" 2
342 1 71 VAL H 1 89 MET ME 16.924 11.924 21.924 12.123 11.896 12.697 0.028 8 0 "[ . 1]" 2
343 1 81 ASN H 1 89 MET ME 16.077 11.077 21.077 18.022 16.839 19.405 . 0 0 "[ . 1]" 2
344 1 82 GLU H 1 89 MET ME 16.998 11.998 21.998 18.821 18.386 19.508 . 0 0 "[ . 1]" 2
345 1 84 SER H 1 89 MET ME 23.918 18.918 28.918 18.649 18.610 18.700 0.308 4 0 "[ . 1]" 2
346 1 85 LYS H 1 89 MET ME 21.969 16.969 26.969 16.772 16.720 16.849 0.248 2 0 "[ . 1]" 2
347 1 89 MET ME 1 93 MET H 16.007 11.007 21.007 10.644 10.550 10.714 0.457 10 0 "[ . 1]" 2
348 1 89 MET ME 1 94 PHE H 17.222 12.222 22.222 12.228 12.136 12.469 0.087 9 0 "[ . 1]" 2
349 1 89 MET ME 1 95 ALA H 17.712 12.712 22.712 12.870 12.613 13.377 0.099 4 0 "[ . 1]" 2
350 1 89 MET ME 1 98 ASP H 16.226 11.226 21.226 12.322 11.966 13.284 . 0 0 "[ . 1]" 2
351 1 89 MET ME 1 99 THR H 15.024 10.024 20.024 10.190 10.004 10.945 0.020 4 0 "[ . 1]" 2
352 1 89 MET ME 1 100 SER H 15.100 10.100 20.100 10.582 10.067 11.258 0.033 5 0 "[ . 1]" 2
353 1 89 MET ME 1 101 ASP H 13.984 8.984 18.984 11.131 10.935 11.333 . 0 0 "[ . 1]" 2
354 1 89 MET ME 1 102 MET H 14.133 9.133 19.133 9.793 9.636 10.155 . 0 0 "[ . 1]" 2
355 1 89 MET ME 1 103 GLU H 14.955 9.955 19.955 9.932 9.831 10.143 0.124 7 0 "[ . 1]" 2
356 1 89 MET ME 1 104 ALA H 16.762 11.762 21.762 12.007 11.728 12.167 0.035 7 0 "[ . 1]" 2
357 1 89 MET ME 1 105 VAL H 13.922 8.922 18.922 12.892 12.583 13.230 . 0 0 "[ . 1]" 2
358 1 89 MET ME 1 106 TRP H 17.411 12.411 22.411 13.785 12.983 14.302 . 0 0 "[ . 1]" 2
359 1 89 MET ME 1 107 LYS H 17.074 12.074 22.074 14.781 13.770 15.091 . 0 0 "[ . 1]" 2
360 1 89 MET ME 1 109 ALA H 17.063 12.063 22.063 17.383 16.913 17.661 . 0 0 "[ . 1]" 2
361 1 89 MET ME 1 110 LYS H 20.660 15.660 25.660 19.704 19.004 20.036 . 0 0 "[ . 1]" 2
362 1 89 MET ME 1 112 GLU H 16.901 11.901 21.901 19.358 18.493 20.261 . 0 0 "[ . 1]" 2
363 1 89 MET ME 1 113 ASP H 17.430 12.430 22.430 17.808 17.388 18.555 . 0 0 "[ . 1]" 2
364 1 89 MET ME 1 114 LEU H 19.907 14.907 24.907 18.876 18.528 19.271 . 0 0 "[ . 1]" 2
365 1 89 MET ME 1 115 MET H 15.777 10.777 20.777 19.064 18.822 19.371 . 0 0 "[ . 1]" 2
366 1 89 MET ME 1 116 ASP H 18.449 13.449 23.449 17.204 16.927 17.610 . 0 0 "[ . 1]" 2
367 1 89 MET ME 1 117 SER H 16.947 11.947 21.947 17.014 16.405 17.327 . 0 0 "[ . 1]" 2
368 1 89 MET ME 1 118 LYS H 17.061 12.061 22.061 18.769 18.041 19.173 . 0 0 "[ . 1]" 2
369 1 89 MET ME 1 124 GLU H 23.017 18.017 28.017 18.022 17.994 18.103 0.023 7 0 "[ . 1]" 2
370 1 3 LYS H 1 89 MET ME 10.000 5.000 15.000 14.719 14.179 15.057 0.057 2 0 "[ . 1]" 2
371 1 18 PHE H 1 89 MET ME 15.000 10.000 20.000 18.625 17.362 19.462 . 0 0 "[ . 1]" 2
372 1 54 VAL H 1 89 MET ME 14.000 9.000 19.000 17.959 16.721 18.905 . 0 0 "[ . 1]" 2
373 1 68 ASN H 1 89 MET ME 10.000 5.000 15.000 12.496 11.517 13.223 . 0 0 "[ . 1]" 2
374 1 78 TYR H 1 89 MET ME 10.000 5.000 15.000 13.517 12.175 14.848 . 0 0 "[ . 1]" 2
375 1 79 ASP H 1 89 MET ME 10.000 5.000 15.000 14.630 13.961 15.047 0.047 3 0 "[ . 1]" 2
376 1 89 MET ME 1 97 THR H 10.000 5.000 15.000 13.780 13.458 14.242 . 0 0 "[ . 1]" 2
377 1 89 MET ME 1 108 GLU H 11.000 6.000 16.000 16.059 16.029 16.110 0.110 7 0 "[ . 1]" 2
378 1 5 GLU H 1 102 MET ME 18.378 13.378 23.378 16.031 15.469 16.543 . 0 0 "[ . 1]" 2
379 1 11 GLU H 1 102 MET ME 19.610 14.610 24.610 16.484 14.861 18.250 . 0 0 "[ . 1]" 2
380 1 13 GLN H 1 102 MET ME 17.861 12.861 22.861 16.623 15.995 17.069 . 0 0 "[ . 1]" 2
381 1 16 LEU H 1 102 MET ME 15.285 10.285 20.285 11.889 11.056 12.545 . 0 0 "[ . 1]" 2
382 1 17 LYS H 1 102 MET ME 15.844 10.844 20.844 11.113 10.805 12.242 0.039 1 0 "[ . 1]" 2
383 1 20 GLY H 1 102 MET ME 20.451 15.451 25.451 17.373 16.324 18.279 . 0 0 "[ . 1]" 2
384 1 22 PHE H 1 102 MET ME 18.382 13.382 23.382 17.217 14.753 19.075 . 0 0 "[ . 1]" 2
385 1 23 THR H 1 102 MET ME 18.472 13.472 23.472 18.510 16.701 19.571 . 0 0 "[ . 1]" 2
386 1 26 VAL H 1 102 MET ME 19.092 14.092 24.092 17.398 15.423 19.337 . 0 0 "[ . 1]" 2
387 1 27 THR H 1 102 MET ME 16.242 11.242 21.242 18.251 16.945 19.565 . 0 0 "[ . 1]" 2
388 1 30 LEU H 1 102 MET ME 15.132 10.132 20.132 18.097 16.941 18.665 . 0 0 "[ . 1]" 2
389 1 32 LEU H 1 102 MET ME 17.095 12.095 22.095 18.165 17.550 18.534 . 0 0 "[ . 1]" 2
390 1 33 GLY H 1 102 MET ME 17.237 12.237 22.237 17.496 16.806 18.329 . 0 0 "[ . 1]" 2
391 1 34 ASN H 1 102 MET ME 21.786 16.786 26.786 19.645 18.856 20.625 . 0 0 "[ . 1]" 2
392 1 36 THR H 1 102 MET ME 20.784 15.784 25.784 21.037 19.824 21.913 . 0 0 "[ . 1]" 2
393 1 37 ASP H 1 102 MET ME 18.226 13.226 23.226 21.586 17.916 23.020 . 0 0 "[ . 1]" 2
394 1 38 ARG H 1 102 MET ME 22.375 17.375 27.375 23.291 20.739 26.082 . 0 0 "[ . 1]" 2
395 1 39 ASN H 1 102 MET ME 21.955 16.955 26.955 24.128 21.497 26.616 . 0 0 "[ . 1]" 2
396 1 42 PHE H 1 102 MET ME 19.618 14.618 24.618 21.155 18.993 24.181 . 0 0 "[ . 1]" 2
397 1 43 LYS H 1 102 MET ME 20.981 15.981 25.981 20.063 17.159 24.485 . 0 0 "[ . 1]" 2
398 1 44 VAL H 1 102 MET ME 18.841 13.841 23.841 17.558 16.119 20.709 . 0 0 "[ . 1]" 2
399 1 45 LYS H 1 102 MET ME 16.460 11.460 21.460 18.161 16.048 21.072 . 0 0 "[ . 1]" 2
400 1 46 THR H 1 102 MET ME 19.919 14.919 24.919 19.960 17.940 21.350 . 0 0 "[ . 1]" 2
401 1 47 THR H 1 102 MET ME 19.909 14.909 24.909 19.480 18.496 20.882 . 0 0 "[ . 1]" 2
402 1 48 ALA H 1 102 MET ME 20.075 15.075 25.075 19.913 17.870 22.332 . 0 0 "[ . 1]" 2
403 1 53 CYS H 1 102 MET ME 18.022 13.022 23.022 17.326 16.990 17.888 . 0 0 "[ . 1]" 2
404 1 55 ARG H 1 102 MET ME 16.239 11.239 21.239 17.623 15.392 19.101 . 0 0 "[ . 1]" 2
405 1 56 SER H 1 102 MET ME 19.060 14.060 24.060 18.740 17.535 19.560 . 0 0 "[ . 1]" 2
406 1 57 ASN H 1 102 MET ME 19.353 14.353 24.353 19.870 18.738 20.960 . 0 0 "[ . 1]" 2
407 1 58 SER H 1 102 MET ME 20.788 15.788 25.788 20.924 20.032 22.644 . 0 0 "[ . 1]" 2
408 1 59 GLY H 1 102 MET ME 19.377 14.377 24.377 21.878 20.830 22.682 . 0 0 "[ . 1]" 2
409 1 60 ILE H 1 102 MET ME 18.844 13.844 23.844 21.753 20.266 22.924 . 0 0 "[ . 1]" 2
410 1 62 ASP H 1 102 MET ME 16.333 11.333 21.333 21.094 19.989 21.365 0.032 9 0 "[ . 1]" 2
411 1 63 ALA H 1 102 MET ME 17.633 12.633 22.633 19.804 18.774 20.343 . 0 0 "[ . 1]" 2
412 1 64 GLY H 1 102 MET ME 17.510 12.510 22.510 18.331 17.058 19.147 . 0 0 "[ . 1]" 2
413 1 65 ALA H 1 102 MET ME 16.962 11.962 21.962 16.413 16.049 16.925 . 0 0 "[ . 1]" 2
414 1 66 SER H 1 102 MET ME 16.659 11.659 21.659 14.625 13.940 15.029 . 0 0 "[ . 1]" 2
415 1 67 ILE H 1 102 MET ME 14.629 9.629 19.629 13.176 11.762 13.795 . 0 0 "[ . 1]" 2
416 1 70 SER H 1 102 MET ME 13.086 8.086 18.086 12.237 11.264 13.065 . 0 0 "[ . 1]" 2
417 1 71 VAL H 1 102 MET ME 16.729 11.729 21.729 11.813 11.684 12.067 0.044 9 0 "[ . 1]" 2
418 1 78 TYR H 1 102 MET ME 15.815 10.815 20.815 15.076 13.658 16.272 . 0 0 "[ . 1]" 2
419 1 79 ASP H 1 102 MET ME 17.204 12.204 22.204 16.163 15.650 16.726 . 0 0 "[ . 1]" 2
420 1 81 ASN H 1 102 MET ME 19.495 14.495 24.495 19.272 18.401 20.400 . 0 0 "[ . 1]" 2
421 1 82 GLU H 1 102 MET ME 20.442 15.442 25.442 19.828 19.347 20.359 . 0 0 "[ . 1]" 2
422 1 84 SER H 1 102 MET ME 16.589 11.589 21.589 18.702 18.094 19.116 . 0 0 "[ . 1]" 2
423 1 85 LYS H 1 102 MET ME 19.193 14.193 24.193 17.085 16.655 17.560 . 0 0 "[ . 1]" 2
424 1 86 HIS H 1 102 MET ME 18.408 13.408 23.408 14.366 13.953 14.735 . 0 0 "[ . 1]" 2
425 1 95 ALA H 1 102 MET ME 15.643 10.643 20.643 10.772 10.588 11.205 0.055 9 0 "[ . 1]" 2
426 1 102 MET ME 1 108 GLU H 14.866 9.866 19.866 11.282 10.941 11.733 . 0 0 "[ . 1]" 2
427 1 102 MET ME 1 110 LYS H 19.415 14.415 24.415 14.292 14.219 14.338 0.196 9 0 "[ . 1]" 2
428 1 102 MET ME 1 113 ASP H 16.222 11.222 21.222 12.459 11.771 13.214 . 0 0 "[ . 1]" 2
429 1 102 MET ME 1 114 LEU H 18.064 13.064 23.064 13.462 13.041 13.814 0.022 7 0 "[ . 1]" 2
430 1 102 MET ME 1 116 ASP H 16.715 11.715 21.715 12.176 11.678 13.082 0.037 8 0 "[ . 1]" 2
431 1 102 MET ME 1 117 SER H 16.860 11.860 21.860 11.888 11.759 12.211 0.101 7 0 "[ . 1]" 2
432 1 102 MET ME 1 119 LEU H 16.380 11.380 21.380 13.496 13.277 13.740 . 0 0 "[ . 1]" 2
433 1 102 MET ME 1 120 ARG H 16.902 11.902 21.902 12.074 11.907 12.284 . 0 0 "[ . 1]" 2
434 1 102 MET ME 1 124 GLU H 17.952 12.952 22.952 14.517 14.043 14.927 . 0 0 "[ . 1]" 2
435 1 14 HIS H 1 102 MET ME 10.000 5.000 15.000 15.041 15.025 15.077 0.077 1 0 "[ . 1]" 2
436 1 15 GLU H 1 102 MET ME 10.000 5.000 15.000 13.542 13.106 14.170 . 0 0 "[ . 1]" 2
437 1 68 ASN H 1 102 MET ME 10.000 5.000 15.000 11.190 9.942 11.808 . 0 0 "[ . 1]" 2
438 1 69 VAL H 1 102 MET ME 10.000 5.000 15.000 10.961 9.357 12.326 . 0 0 "[ . 1]" 2
439 1 76 PHE H 1 102 MET ME 10.000 5.000 15.000 12.367 10.393 14.384 . 0 0 "[ . 1]" 2
440 1 88 PHE H 1 102 MET ME 10.000 5.000 15.000 8.607 8.316 8.905 . 0 0 "[ . 1]" 2
441 1 89 MET H 1 102 MET ME 10.000 5.000 15.000 6.868 6.426 7.198 . 0 0 "[ . 1]" 2
442 1 90 VAL H 1 102 MET ME 10.000 5.000 15.000 7.713 7.313 8.106 . 0 0 "[ . 1]" 2
443 1 91 GLN H 1 102 MET ME 10.000 5.000 15.000 7.435 7.185 7.697 . 0 0 "[ . 1]" 2
444 1 92 SER H 1 102 MET ME 10.000 5.000 15.000 7.456 7.123 7.875 . 0 0 "[ . 1]" 2
445 1 93 MET H 1 102 MET ME 10.000 5.000 15.000 9.747 9.393 10.156 . 0 0 "[ . 1]" 2
446 1 94 PHE H 1 102 MET ME 10.000 5.000 15.000 10.996 10.749 11.222 . 0 0 "[ . 1]" 2
447 1 97 THR H 1 102 MET ME 10.000 5.000 15.000 10.385 9.421 11.046 . 0 0 "[ . 1]" 2
448 1 102 MET ME 1 109 ALA H 10.000 5.000 15.000 12.325 11.940 12.686 . 0 0 "[ . 1]" 2
449 1 102 MET ME 1 112 GLU H 10.000 5.000 15.000 14.118 13.213 15.024 0.024 3 0 "[ . 1]" 2
450 1 102 MET ME 1 118 LYS H 10.000 5.000 15.000 13.775 13.605 14.100 . 0 0 "[ . 1]" 2
451 1 102 MET ME 1 122 VAL H 10.000 5.000 15.000 15.033 15.007 15.082 0.082 8 0 "[ . 1]" 2
452 1 102 MET ME 1 123 PHE H 10.000 5.000 15.000 14.815 14.309 15.004 0.004 9 0 "[ . 1]" 2
453 1 2 ALA H 1 121 CYS HG 22.122 17.122 27.122 26.275 25.462 27.031 . 0 0 "[ . 1]" 2
454 1 4 VAL H 1 121 CYS HG 21.648 16.648 26.648 26.658 26.508 26.684 0.036 10 0 "[ . 1]" 2
455 1 30 LEU H 1 121 CYS HG 23.560 18.560 28.560 18.585 18.512 18.747 0.048 3 0 "[ . 1]" 2
456 1 60 ILE H 1 121 CYS HG 21.571 16.571 26.571 24.067 22.738 26.600 0.028 2 0 "[ . 1]" 2
457 1 63 ALA H 1 121 CYS HG 22.731 17.731 27.731 23.411 22.417 24.874 . 0 0 "[ . 1]" 2
458 1 64 GLY H 1 121 CYS HG 23.972 18.972 28.972 22.184 21.576 23.727 . 0 0 "[ . 1]" 2
459 1 65 ALA H 1 121 CYS HG 23.470 18.470 28.470 20.745 19.991 21.623 . 0 0 "[ . 1]" 2
460 1 66 SER H 1 121 CYS HG 22.907 17.907 27.907 18.687 17.897 20.425 0.010 8 0 "[ . 1]" 2
461 1 67 ILE H 1 121 CYS HG 21.154 16.154 26.154 17.569 16.885 18.300 . 0 0 "[ . 1]" 2
462 1 68 ASN H 1 121 CYS HG 18.937 13.937 23.937 16.566 16.138 17.041 . 0 0 "[ . 1]" 2
463 1 69 VAL H 1 121 CYS HG 21.625 16.625 26.625 16.779 16.579 17.325 0.047 2 0 "[ . 1]" 2
464 1 70 SER H 1 121 CYS HG 20.679 15.679 25.679 18.933 18.317 19.498 . 0 0 "[ . 1]" 2
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