NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528304 |
2lkg   |
17991 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lkg
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 983
_Distance_constraint_stats_list.Viol_count 1894
_Distance_constraint_stats_list.Viol_total 1130.649
_Distance_constraint_stats_list.Viol_max 0.847
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0398
_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 8 HIS 0.042 0.025 15 0 "[ . 1 .]"
1 9 ALA 0.706 0.039 15 0 "[ . 1 .]"
1 10 MET 0.962 0.090 7 0 "[ . 1 .]"
1 11 VAL 1.534 0.077 10 0 "[ . 1 .]"
1 12 ILE 3.318 0.308 15 0 "[ . 1 .]"
1 13 ASP 3.031 0.308 15 0 "[ . 1 .]"
1 14 HIS 0.001 0.001 15 0 "[ . 1 .]"
1 15 ILE 0.003 0.002 8 0 "[ . 1 .]"
1 16 LEU 0.012 0.005 5 0 "[ . 1 .]"
1 17 LYS 0.223 0.023 14 0 "[ . 1 .]"
1 18 CYS 0.002 0.002 9 0 "[ . 1 .]"
1 19 VAL 1.516 0.123 4 0 "[ . 1 .]"
1 20 PHE 9.146 0.847 9 6 "[* * . * +1 *-]"
1 21 ASP 1.309 0.093 11 0 "[ . 1 .]"
1 22 LYS 0.165 0.039 10 0 "[ . 1 .]"
1 23 ILE 0.009 0.002 9 0 "[ . 1 .]"
1 24 CYS 0.033 0.005 11 0 "[ . 1 .]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 26 ILE 0.562 0.068 10 0 "[ . 1 .]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 28 THR 0.000 0.000 . 0 "[ . 1 .]"
1 29 GLU 0.101 0.064 15 0 "[ . 1 .]"
1 30 SER 0.075 0.064 15 0 "[ . 1 .]"
1 31 VAL 3.158 0.341 9 0 "[ . 1 .]"
1 32 GLU 6.585 0.237 13 0 "[ . 1 .]"
1 33 ALA 3.367 0.128 14 0 "[ . 1 .]"
1 34 GLY 3.321 0.237 13 0 "[ . 1 .]"
1 35 ARG 4.593 0.231 10 0 "[ . 1 .]"
1 36 LEU 6.330 0.254 11 0 "[ . 1 .]"
1 37 ILE 4.831 0.254 11 0 "[ . 1 .]"
1 38 GLU 3.533 0.187 8 0 "[ . 1 .]"
1 39 LEU 2.184 0.187 8 0 "[ . 1 .]"
1 40 SER 1.144 0.080 11 0 "[ . 1 .]"
1 41 GLN 0.286 0.050 12 0 "[ . 1 .]"
1 42 GLU 1.229 0.095 3 0 "[ . 1 .]"
1 43 GLY 0.919 0.095 3 0 "[ . 1 .]"
1 44 GLY 0.041 0.018 3 0 "[ . 1 .]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 48 GLY 0.754 0.058 7 0 "[ . 1 .]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 50 LEU 1.721 0.103 7 0 "[ . 1 .]"
1 51 TYR 1.395 0.103 7 0 "[ . 1 .]"
1 52 PHE 1.677 0.341 9 0 "[ . 1 .]"
1 53 VAL 1.264 0.112 2 0 "[ . 1 .]"
1 54 VAL 0.733 0.112 2 0 "[ . 1 .]"
1 55 ASN 0.343 0.045 5 0 "[ . 1 .]"
1 56 VAL 0.142 0.028 10 0 "[ . 1 .]"
1 57 ILE 0.895 0.103 3 0 "[ . 1 .]"
1 58 GLU 0.385 0.075 10 0 "[ . 1 .]"
1 59 PRO 0.032 0.015 11 0 "[ . 1 .]"
1 60 CYS 0.415 0.046 13 0 "[ . 1 .]"
1 61 LYS 1.010 0.075 10 0 "[ . 1 .]"
1 62 LYS 0.032 0.015 11 0 "[ . 1 .]"
1 63 PHE 1.046 0.407 5 0 "[ . 1 .]"
1 64 SER 6.924 0.847 9 6 "[* * . * +1 *-]"
1 65 GLU 0.091 0.012 7 0 "[ . 1 .]"
1 66 LEU 0.884 0.051 1 0 "[ . 1 .]"
1 67 THR 2.964 0.407 5 0 "[ . 1 .]"
1 68 GLY 2.834 0.107 5 0 "[ . 1 .]"
1 69 LEU 2.147 0.107 5 0 "[ . 1 .]"
1 70 VAL 0.843 0.068 1 0 "[ . 1 .]"
1 71 PHE 0.018 0.005 5 0 "[ . 1 .]"
1 72 TYR 0.266 0.019 10 0 "[ . 1 .]"
1 73 LEU 0.033 0.005 2 0 "[ . 1 .]"
1 74 PRO 0.109 0.013 8 0 "[ . 1 .]"
1 75 THR 0.856 0.077 12 0 "[ . 1 .]"
1 76 ASP 0.996 0.077 12 0 "[ . 1 .]"
1 77 SER 0.000 0.000 . 0 "[ . 1 .]"
1 78 GLY 0.171 0.013 1 0 "[ . 1 .]"
1 79 GLU 0.224 0.041 13 0 "[ . 1 .]"
1 80 LYS 0.463 0.024 4 0 "[ . 1 .]"
1 81 MET 0.266 0.022 2 0 "[ . 1 .]"
1 82 THR 0.102 0.015 10 0 "[ . 1 .]"
1 83 GLU 0.045 0.010 10 0 "[ . 1 .]"
1 84 SER 0.066 0.016 12 0 "[ . 1 .]"
1 85 LYS 0.053 0.016 12 0 "[ . 1 .]"
1 86 SER 0.007 0.002 10 0 "[ . 1 .]"
1 87 VAL 0.156 0.039 1 0 "[ . 1 .]"
1 88 LEU 0.051 0.007 11 0 "[ . 1 .]"
1 89 LYS 0.085 0.016 2 0 "[ . 1 .]"
1 90 SER 0.122 0.023 11 0 "[ . 1 .]"
1 91 LEU 0.747 0.046 2 0 "[ . 1 .]"
1 92 THR 0.814 0.046 2 0 "[ . 1 .]"
1 93 GLU 0.051 0.013 8 0 "[ . 1 .]"
1 94 LYS 0.000 0.000 11 0 "[ . 1 .]"
1 95 LEU 0.866 0.043 11 0 "[ . 1 .]"
1 96 LYS 0.477 0.038 7 0 "[ . 1 .]"
1 97 LYS 4.466 0.219 9 0 "[ . 1 .]"
1 98 ILE 6.143 0.151 9 0 "[ . 1 .]"
1 99 VAL 4.447 0.269 12 0 "[ . 1 .]"
1 100 GLU 3.835 0.219 9 0 "[ . 1 .]"
1 101 LEU 6.952 0.151 9 0 "[ . 1 .]"
1 102 ILE 1.655 0.126 11 0 "[ . 1 .]"
1 103 PRO 1.642 0.124 5 0 "[ . 1 .]"
1 104 SER 1.655 0.126 11 0 "[ . 1 .]"
1 105 THR 0.031 0.009 5 0 "[ . 1 .]"
1 106 SER 0.027 0.009 5 0 "[ . 1 .]"
1 107 SER 1.075 0.091 12 0 "[ . 1 .]"
1 108 ALA 0.024 0.007 11 0 "[ . 1 .]"
1 109 VAL 1.075 0.091 12 0 "[ . 1 .]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 111 LEU 0.066 0.011 1 0 "[ . 1 .]"
1 112 ILE 0.029 0.006 5 0 "[ . 1 .]"
1 113 GLY 0.002 0.002 9 0 "[ . 1 .]"
1 114 LYS 1.409 0.067 5 0 "[ . 1 .]"
1 115 TYR 0.890 0.067 5 0 "[ . 1 .]"
1 116 MET 0.663 0.038 7 0 "[ . 1 .]"
1 117 LEU 0.161 0.013 1 0 "[ . 1 .]"
1 118 PHE 1.026 0.068 10 0 "[ . 1 .]"
1 119 THR 0.000 0.000 . 0 "[ . 1 .]"
1 120 LYS 0.001 0.001 8 0 "[ . 1 .]"
1 121 GLU 0.014 0.002 11 0 "[ . 1 .]"
1 122 PHE 0.707 0.123 4 0 "[ . 1 .]"
1 123 VAL 0.010 0.002 11 0 "[ . 1 .]"
1 124 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 125 SER 0.005 0.002 11 0 "[ . 1 .]"
1 126 SER 0.000 0.000 . 0 "[ . 1 .]"
1 127 ILE 0.007 0.001 4 0 "[ . 1 .]"
1 128 LYS 0.006 0.001 4 0 "[ . 1 .]"
1 129 ILE 0.010 0.004 10 0 "[ . 1 .]"
1 130 THR 1.001 0.067 6 0 "[ . 1 .]"
1 131 GLU 0.002 0.002 10 0 "[ . 1 .]"
1 132 GLU 0.996 0.067 6 0 "[ . 1 .]"
1 133 VAL 0.175 0.032 11 0 "[ . 1 .]"
1 134 ILE 0.335 0.081 11 0 "[ . 1 .]"
1 135 ASN 0.245 0.081 11 0 "[ . 1 .]"
1 136 THR 0.274 0.032 11 0 "[ . 1 .]"
1 137 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 138 HIS 0.254 0.036 1 0 "[ . 1 .]"
1 139 ARG 0.439 0.053 5 0 "[ . 1 .]"
1 140 SER 0.038 0.010 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 27 GLY H 1 60 CYS HG . . 15.000 10.972 9.407 12.049 . 0 0 "[ . 1 .]" 1
2 1 20 PHE QR 1 68 GLY H . . 5.130 4.839 4.147 5.128 . 0 0 "[ . 1 .]" 1
3 1 20 PHE QR 1 68 GLY QA . . 4.150 4.221 4.204 4.243 0.093 10 0 "[ . 1 .]" 1
4 1 16 LEU HA 1 71 PHE QB . . 4.240 3.967 3.252 4.245 0.005 5 0 "[ . 1 .]" 1
5 1 12 ILE MG 1 72 TYR QR . . 4.500 4.142 3.539 4.499 . 0 0 "[ . 1 .]" 1
6 1 31 VAL QG 1 52 PHE QR . . 3.480 3.439 2.384 3.821 0.341 9 0 "[ . 1 .]" 1
7 1 20 PHE QR 1 64 SER QB . . 5.000 5.314 4.005 5.847 0.847 9 6 "[* * . * +1 *-]" 1
8 1 13 ASP QB 1 72 TYR QE . . 4.500 4.446 3.834 4.507 0.007 5 0 "[ . 1 .]" 1
9 1 63 PHE QR 1 87 VAL MG2 . . 3.500 3.438 2.714 3.539 0.039 1 0 "[ . 1 .]" 1
10 1 69 LEU QD 1 80 LYS QG . . 3.810 2.753 2.550 3.190 . 0 0 "[ . 1 .]" 1
11 1 51 TYR QE 1 95 LEU QD . . 3.500 3.292 2.733 3.510 0.010 7 0 "[ . 1 .]" 1
12 1 51 TYR QE 1 98 ILE QG . . 3.500 3.517 3.498 3.538 0.038 8 0 "[ . 1 .]" 1
13 1 47 GLY H 1 102 ILE MD . . 4.000 2.915 1.991 3.991 . 0 0 "[ . 1 .]" 1
14 1 63 PHE QR 1 84 SER QB . . 4.380 2.063 1.817 2.479 . 0 0 "[ . 1 .]" 1
15 1 95 LEU QD 1 116 MET ME . . 3.500 3.279 2.732 3.500 . 0 0 "[ . 1 .]" 1
16 1 88 LEU QD 1 123 VAL MG1 . . 2.560 2.416 1.840 2.562 0.002 11 0 "[ . 1 .]" 1
17 1 96 LYS QG 1 116 MET ME . . 3.130 3.161 3.158 3.168 0.038 7 0 "[ . 1 .]" 1
18 1 96 LYS QE 1 116 MET ME . . 3.060 2.656 2.365 2.969 . 0 0 "[ . 1 .]" 1
19 1 92 THR MG 1 116 MET ME . . 3.500 3.415 3.069 3.504 0.004 5 0 "[ . 1 .]" 1
20 1 23 ILE QG 1 122 PHE QD . . 4.200 3.870 3.357 4.197 . 0 0 "[ . 1 .]" 1
21 1 12 ILE MD 1 133 VAL MG1 . . 3.000 2.985 2.940 3.007 0.007 6 0 "[ . 1 .]" 1
22 1 41 GLN HE22 1 111 LEU QD . . 3.980 2.599 1.882 3.980 . 0 0 "[ . 1 .]" 1
23 1 41 GLN HE22 1 108 ALA MB . . 4.940 3.613 2.384 4.947 0.007 11 0 "[ . 1 .]" 1
24 1 41 GLN HG3 1 108 ALA MB . . 3.230 2.960 1.958 3.235 0.005 11 0 "[ . 1 .]" 1
25 1 33 ALA MB 1 115 TYR QB . . 4.220 4.140 3.728 4.225 0.005 1 0 "[ . 1 .]" 1
26 1 19 VAL QG 1 125 SER QB . . 2.730 2.707 2.482 2.732 0.002 11 0 "[ . 1 .]" 1
27 1 19 VAL HB 1 129 ILE MD . . 2.900 2.799 2.314 2.901 0.001 15 0 "[ . 1 .]" 1
28 1 19 VAL QG 1 129 ILE HB . . 4.160 3.273 2.524 4.164 0.004 10 0 "[ . 1 .]" 1
29 1 15 ILE MG 1 129 ILE HB . . 4.160 4.048 3.538 4.162 0.002 8 0 "[ . 1 .]" 1
30 1 37 ILE QG 1 115 TYR QE . . 4.500 3.111 2.542 3.917 . 0 0 "[ . 1 .]" 1
31 1 26 ILE MG 1 118 PHE QR . . 4.500 4.525 4.397 4.568 0.068 10 0 "[ . 1 .]" 1
32 1 26 ILE MD 1 118 PHE QR . . 3.670 3.239 2.720 3.695 0.025 4 0 "[ . 1 .]" 1
33 1 37 ILE MG 1 108 ALA MB . . 4.500 2.505 1.837 3.110 . 0 0 "[ . 1 .]" 1
34 1 19 VAL QG 1 122 PHE QR . . 3.830 3.836 3.369 3.953 0.123 4 0 "[ . 1 .]" 1
35 1 43 GLY H 1 105 THR MG . . 4.000 3.949 3.752 4.004 0.004 3 0 "[ . 1 .]" 1
36 1 30 SER HA 1 115 TYR QR . . 4.030 4.010 3.853 4.030 . 0 0 "[ . 1 .]" 1
37 1 48 GLY H 1 51 TYR QR . . 4.670 4.665 4.576 4.678 0.008 4 0 "[ . 1 .]" 1
38 1 48 GLY H 1 51 TYR QB . . 3.790 3.224 2.951 3.405 . 0 0 "[ . 1 .]" 1
39 1 48 GLY H 1 50 LEU QD . . 4.000 4.019 4.001 4.037 0.037 7 0 "[ . 1 .]" 1
40 1 114 LYS QE 1 115 TYR H . . 4.330 4.106 3.887 4.338 0.008 9 0 "[ . 1 .]" 1
41 1 114 LYS QE 1 118 PHE QR . . 4.010 4.041 4.032 4.061 0.051 9 0 "[ . 1 .]" 1
42 1 114 LYS QE 1 115 TYR QR . . 4.090 2.464 1.948 3.420 . 0 0 "[ . 1 .]" 1
43 1 111 LEU QD 1 115 TYR QR . . 3.980 3.354 3.065 3.879 . 0 0 "[ . 1 .]" 1
44 1 111 LEU QD 1 114 LYS QE . . 3.720 3.724 3.722 3.731 0.011 1 0 "[ . 1 .]" 1
45 1 36 LEU H 1 37 ILE HA . . 4.930 5.111 5.080 5.184 0.254 11 0 "[ . 1 .]" 1
46 1 130 THR HA 1 132 GLU H . . 3.420 3.486 3.483 3.487 0.067 6 0 "[ . 1 .]" 1
47 1 9 ALA H 1 12 ILE MD . . 4.540 4.456 4.384 4.566 0.026 15 0 "[ . 1 .]" 1
48 1 108 ALA MB 1 111 LEU H . . 4.430 4.023 4.016 4.047 . 0 0 "[ . 1 .]" 1
49 1 134 ILE QG 1 135 ASN H . . 4.060 3.264 2.143 4.141 0.081 11 0 "[ . 1 .]" 1
50 1 92 THR MG 1 96 LYS QE . . 3.310 2.792 2.247 3.309 . 0 0 "[ . 1 .]" 1
51 1 35 ARG HE 1 38 GLU QG . . 5.000 3.591 2.651 5.027 0.027 10 0 "[ . 1 .]" 1
52 1 118 PHE HA 1 119 THR H . . 3.930 3.563 3.537 3.569 . 0 0 "[ . 1 .]" 1
53 1 70 VAL HA 1 71 PHE H . . 3.760 3.500 3.495 3.547 . 0 0 "[ . 1 .]" 1
54 1 55 ASN HA 1 56 VAL H . . 3.980 3.454 3.450 3.456 . 0 0 "[ . 1 .]" 1
55 1 126 SER HA 1 127 ILE H . . 4.030 3.541 3.503 3.568 . 0 0 "[ . 1 .]" 1
56 1 91 LEU HA 1 92 THR H . . 3.690 3.550 3.537 3.556 . 0 0 "[ . 1 .]" 1
57 1 19 VAL HA 1 20 PHE H . . 4.460 3.480 3.475 3.500 . 0 0 "[ . 1 .]" 1
58 1 77 SER HA 1 78 GLY H . . 3.600 3.407 3.386 3.434 . 0 0 "[ . 1 .]" 1
59 1 123 VAL HA 1 124 GLU H . . 4.650 3.457 3.447 3.479 . 0 0 "[ . 1 .]" 1
60 1 15 ILE HA 1 16 LEU H . . 4.400 3.462 3.458 3.479 . 0 0 "[ . 1 .]" 1
61 1 112 ILE HA 1 113 GLY H . . 3.750 3.444 3.442 3.445 . 0 0 "[ . 1 .]" 1
62 1 49 PRO HA 1 50 LEU H . . 3.820 3.402 3.396 3.407 . 0 0 "[ . 1 .]" 1
63 1 104 SER HA 1 105 THR H . . 3.790 3.481 3.359 3.513 . 0 0 "[ . 1 .]" 1
64 1 84 SER HA 1 85 LYS H . . 3.460 3.451 3.429 3.476 0.016 12 0 "[ . 1 .]" 1
65 1 36 LEU HA 1 37 ILE H . . 3.510 3.521 3.510 3.529 0.019 7 0 "[ . 1 .]" 1
66 1 54 VAL HA 1 55 ASN H . . 3.910 3.501 3.476 3.529 . 0 0 "[ . 1 .]" 1
67 1 66 LEU HA 1 67 THR H . . 3.720 3.523 3.491 3.556 . 0 0 "[ . 1 .]" 1
68 1 99 VAL HA 1 100 GLU H . . 4.370 3.426 3.424 3.429 . 0 0 "[ . 1 .]" 1
69 1 69 LEU HA 1 70 VAL H . . 3.560 3.357 3.330 3.434 . 0 0 "[ . 1 .]" 1
70 1 101 LEU HA 1 102 ILE H . . 3.810 3.567 3.567 3.568 . 0 0 "[ . 1 .]" 1
71 1 96 LYS HA 1 97 LYS H . . 4.290 3.475 3.445 3.504 . 0 0 "[ . 1 .]" 1
72 1 110 PRO HA 1 111 LEU H . . 4.420 3.429 3.425 3.431 . 0 0 "[ . 1 .]" 1
73 1 30 SER HA 1 31 VAL H . . 3.890 3.437 3.409 3.483 . 0 0 "[ . 1 .]" 1
74 1 97 LYS HA 1 98 ILE H . . 3.720 3.367 3.351 3.373 . 0 0 "[ . 1 .]" 1
75 1 120 LYS HA 1 121 GLU H . . 4.150 3.492 3.446 3.544 . 0 0 "[ . 1 .]" 1
76 1 134 ILE HA 1 135 ASN H . . 4.020 3.457 3.445 3.493 . 0 0 "[ . 1 .]" 1
77 1 137 HIS HA 1 138 HIS H . . 3.630 3.514 3.340 3.567 . 0 0 "[ . 1 .]" 1
78 1 12 ILE HA 1 13 ASP H . . 3.770 3.479 3.478 3.480 . 0 0 "[ . 1 .]" 1
79 1 108 ALA HA 1 109 VAL H . . 4.010 3.386 3.384 3.392 . 0 0 "[ . 1 .]" 1
80 1 69 LEU HG 1 80 LYS QG . . 2.660 2.676 2.669 2.684 0.024 4 0 "[ . 1 .]" 1
81 1 57 ILE HA 1 60 CYS HB3 . . 4.410 3.162 2.950 3.545 . 0 0 "[ . 1 .]" 1
82 1 80 LYS HA 1 83 GLU QB . . 3.320 2.949 2.587 3.304 . 0 0 "[ . 1 .]" 1
83 1 90 SER HA 1 93 GLU QB . . 3.480 2.894 2.814 2.970 . 0 0 "[ . 1 .]" 1
84 1 118 PHE HA 1 121 GLU HB3 . . 4.110 3.983 3.375 4.111 0.001 11 0 "[ . 1 .]" 1
85 1 81 MET HA 1 84 SER QB . . 3.010 2.622 2.143 3.010 0.000 2 0 "[ . 1 .]" 1
86 1 130 THR HA 1 133 VAL HB . . 3.390 3.061 2.926 3.395 0.005 1 0 "[ . 1 .]" 1
87 1 51 TYR HA 1 54 VAL HB . . 3.610 2.296 2.063 2.510 . 0 0 "[ . 1 .]" 1
88 1 85 LYS HA 1 88 LEU QB . . 4.020 3.526 2.729 3.884 . 0 0 "[ . 1 .]" 1
89 1 68 GLY QA 1 71 PHE QB . . 4.190 3.253 3.025 3.362 . 0 0 "[ . 1 .]" 1
90 1 108 ALA HA 1 111 LEU HB3 . . 4.160 2.893 2.791 3.297 . 0 0 "[ . 1 .]" 1
91 1 110 PRO HA 1 113 GLY H . . 4.080 3.802 3.556 3.866 . 0 0 "[ . 1 .]" 1
92 1 67 THR HA 1 70 VAL HB . . 3.280 3.331 3.312 3.348 0.068 1 0 "[ . 1 .]" 1
93 1 95 LEU HA 1 98 ILE HB . . 3.740 3.188 2.977 3.539 . 0 0 "[ . 1 .]" 1
94 1 70 VAL HA 1 74 PRO HA . . 3.070 2.852 2.639 3.083 0.013 8 0 "[ . 1 .]" 1
95 1 59 PRO HA 1 62 LYS QB . . 3.500 3.492 3.388 3.515 0.015 11 0 "[ . 1 .]" 1
96 1 21 ASP HA 1 24 CYS QB . . 3.510 3.272 2.998 3.511 0.001 10 0 "[ . 1 .]" 1
97 1 110 PRO QB 1 111 LEU H . . 4.740 3.501 3.498 3.509 . 0 0 "[ . 1 .]" 1
98 1 9 ALA HA 1 10 MET H . . 3.560 3.557 3.554 3.562 0.002 7 0 "[ . 1 .]" 1
99 1 9 ALA HA 1 13 ASP H . . 4.470 3.787 3.745 4.355 . 0 0 "[ . 1 .]" 1
100 1 10 MET HA 1 13 ASP H . . 3.900 3.923 3.912 3.925 0.025 8 0 "[ . 1 .]" 1
101 1 9 ALA H 1 10 MET HA . . 4.510 4.521 4.516 4.549 0.039 15 0 "[ . 1 .]" 1
102 1 10 MET QB 1 12 ILE H . . 4.560 4.370 4.347 4.542 . 0 0 "[ . 1 .]" 1
103 1 12 ILE HA 1 15 ILE H . . 4.040 3.621 3.159 3.849 . 0 0 "[ . 1 .]" 1
104 1 11 VAL H 1 12 ILE HB . . 4.180 4.246 4.104 4.257 0.077 10 0 "[ . 1 .]" 1
105 1 11 VAL H 1 12 ILE MG . . 4.570 4.140 4.106 4.555 . 0 0 "[ . 1 .]" 1
106 1 11 VAL H 1 13 ASP H . . 4.240 3.938 3.927 4.045 . 0 0 "[ . 1 .]" 1
107 1 17 LYS HA 1 19 VAL H . . 4.400 4.298 4.106 4.361 . 0 0 "[ . 1 .]" 1
108 1 20 PHE QD 1 24 CYS H . . 4.480 4.280 3.694 4.481 0.001 2 0 "[ . 1 .]" 1
109 1 20 PHE H 1 21 ASP HA . . 4.900 4.973 4.964 4.993 0.093 11 0 "[ . 1 .]" 1
110 1 17 LYS HA 1 21 ASP QB . . 4.100 4.114 4.100 4.123 0.023 14 0 "[ . 1 .]" 1
111 1 22 LYS HA 1 22 LYS QE . . 2.560 2.414 1.915 2.599 0.039 10 0 "[ . 1 .]" 1
112 1 22 LYS HA 1 23 ILE H . . 4.030 3.533 3.514 3.551 . 0 0 "[ . 1 .]" 1
113 1 26 ILE HA 1 27 GLY H . . 3.540 3.432 3.430 3.456 . 0 0 "[ . 1 .]" 1
114 1 25 LYS H 1 26 ILE H . . 4.230 2.790 2.669 2.901 . 0 0 "[ . 1 .]" 1
115 1 30 SER HA 1 33 ALA H . . 3.500 3.435 3.291 3.501 0.001 14 0 "[ . 1 .]" 1
116 1 31 VAL HA 1 32 GLU H . . 3.320 3.432 3.430 3.433 0.113 13 0 "[ . 1 .]" 1
117 1 31 VAL HB 1 32 GLU HA . . 4.460 4.358 4.251 4.408 . 0 0 "[ . 1 .]" 1
118 1 30 SER HA 1 32 GLU H . . 4.400 3.666 3.491 3.787 . 0 0 "[ . 1 .]" 1
119 1 32 GLU H 1 34 GLY H . . 3.370 3.542 3.500 3.607 0.237 13 0 "[ . 1 .]" 1
120 1 32 GLU QB 1 36 LEU H . . 4.530 4.661 4.648 4.672 0.142 8 0 "[ . 1 .]" 1
121 1 33 ALA H 1 35 ARG H . . 4.370 4.465 4.429 4.498 0.128 14 0 "[ . 1 .]" 1
122 1 33 ALA H 1 34 GLY QA . . 4.530 4.572 4.556 4.603 0.073 10 0 "[ . 1 .]" 1
123 1 35 ARG HA 1 35 ARG HE . . 4.160 2.421 1.938 3.783 . 0 0 "[ . 1 .]" 1
124 1 35 ARG HA 1 36 LEU H . . 4.180 3.442 3.425 3.467 . 0 0 "[ . 1 .]" 1
125 1 35 ARG QD 1 38 GLU QB . . 4.190 4.242 4.135 4.325 0.135 6 0 "[ . 1 .]" 1
126 1 33 ALA H 1 36 LEU H . . 4.710 4.696 4.685 4.706 . 0 0 "[ . 1 .]" 1
127 1 34 GLY QA 1 37 ILE H . . 4.380 3.801 3.782 3.851 . 0 0 "[ . 1 .]" 1
128 1 37 ILE MG 1 41 GLN HE21 . . 3.450 2.991 2.016 3.450 0.000 11 0 "[ . 1 .]" 1
129 1 40 SER H 1 41 GLN QG . . 3.940 3.954 3.942 3.990 0.050 12 0 "[ . 1 .]" 1
130 1 35 ARG HA 1 39 LEU H . . 3.720 3.648 3.566 3.766 0.046 11 0 "[ . 1 .]" 1
131 1 37 ILE H 1 39 LEU H . . 5.110 4.333 4.115 4.435 . 0 0 "[ . 1 .]" 1
132 1 39 LEU QD 1 40 SER H . . 3.860 3.891 3.861 3.940 0.080 11 0 "[ . 1 .]" 1
133 1 40 SER QB 1 42 GLU H . . 4.690 4.711 4.695 4.763 0.073 12 0 "[ . 1 .]" 1
134 1 37 ILE MG 1 41 GLN HE22 . . 3.900 3.647 3.127 3.895 . 0 0 "[ . 1 .]" 1
135 1 40 SER H 1 41 GLN QB . . 5.080 4.955 4.635 5.087 0.007 1 0 "[ . 1 .]" 1
136 1 41 GLN QB 1 43 GLY H . . 4.810 3.537 3.233 4.414 . 0 0 "[ . 1 .]" 1
137 1 42 GLU HA 1 44 GLY H . . 4.210 3.988 3.141 4.217 0.007 10 0 "[ . 1 .]" 1
138 1 42 GLU QB 1 43 GLY H . . 4.020 2.951 2.442 3.952 . 0 0 "[ . 1 .]" 1
139 1 42 GLU QG 1 43 GLY H . . 4.260 4.010 3.488 4.303 0.043 11 0 "[ . 1 .]" 1
140 1 42 GLU H 1 43 GLY QA . . 3.600 3.551 3.520 3.629 0.029 12 0 "[ . 1 .]" 1
141 1 43 GLY H 1 43 GLY QA . . 2.400 2.212 2.191 2.332 . 0 0 "[ . 1 .]" 1
142 1 50 LEU H 1 51 TYR QB . . 4.070 4.119 4.071 4.173 0.103 7 0 "[ . 1 .]" 1
143 1 52 PHE QE 1 53 VAL H . . 4.870 4.748 4.414 4.874 0.004 10 0 "[ . 1 .]" 1
144 1 55 ASN H 1 55 ASN HD22 . . 4.490 3.963 3.803 4.500 0.010 4 0 "[ . 1 .]" 1
145 1 54 VAL HA 1 58 GLU H . . 4.060 3.900 3.792 3.963 . 0 0 "[ . 1 .]" 1
146 1 54 VAL H 1 54 VAL HB . . 3.370 2.305 2.259 2.375 . 0 0 "[ . 1 .]" 1
147 1 52 PHE HA 1 54 VAL H . . 4.360 4.371 4.354 4.388 0.028 10 0 "[ . 1 .]" 1
148 1 56 VAL H 1 56 VAL QG . . 2.670 2.530 2.192 2.670 0.000 1 0 "[ . 1 .]" 1
149 1 53 VAL HA 1 57 ILE HB . . 4.510 4.555 4.518 4.613 0.103 3 0 "[ . 1 .]" 1
150 1 58 GLU HA 1 61 LYS H . . 3.940 3.966 3.947 4.015 0.075 10 0 "[ . 1 .]" 1
151 1 56 VAL H 1 58 GLU H . . 4.640 3.578 3.542 3.663 . 0 0 "[ . 1 .]" 1
152 1 62 LYS H 1 63 PHE H . . 4.490 2.704 2.697 2.715 . 0 0 "[ . 1 .]" 1
153 1 60 CYS HA 1 63 PHE QB . . 3.680 2.304 2.181 2.558 . 0 0 "[ . 1 .]" 1
154 1 64 SER QB 1 66 LEU H . . 4.490 4.502 4.494 4.510 0.020 6 0 "[ . 1 .]" 1
155 1 63 PHE H 1 65 GLU H . . 4.300 4.268 4.187 4.306 0.006 7 0 "[ . 1 .]" 1
156 1 68 GLY H 1 69 LEU HA . . 4.740 4.835 4.814 4.847 0.107 5 0 "[ . 1 .]" 1
157 1 67 THR H 1 69 LEU H . . 4.120 4.053 4.017 4.110 . 0 0 "[ . 1 .]" 1
158 1 75 THR HA 1 76 ASP QB . . 4.350 4.384 4.364 4.427 0.077 12 0 "[ . 1 .]" 1
159 1 75 THR HB 1 76 ASP QB . . 3.740 3.631 3.484 3.760 0.020 10 0 "[ . 1 .]" 1
160 1 75 THR H 1 75 THR MG . . 3.880 3.570 2.575 3.896 0.016 12 0 "[ . 1 .]" 1
161 1 76 ASP QB 1 77 SER HA . . 4.830 4.502 4.456 4.591 . 0 0 "[ . 1 .]" 1
162 1 78 GLY H 1 79 GLU H . . 3.050 2.021 1.963 2.125 . 0 0 "[ . 1 .]" 1
163 1 76 ASP QB 1 79 GLU HA . . 3.740 3.573 3.285 3.746 0.006 3 0 "[ . 1 .]" 1
164 1 78 GLY H 1 79 GLU QB . . 3.790 3.641 3.522 3.801 0.011 8 0 "[ . 1 .]" 1
165 1 79 GLU HA 1 79 GLU QG . . 2.600 2.469 2.179 2.558 . 0 0 "[ . 1 .]" 1
166 1 80 LYS HA 1 80 LYS QE . . 4.000 2.746 2.060 3.392 . 0 0 "[ . 1 .]" 1
167 1 82 THR MG 1 85 LYS H . . 5.180 4.913 4.804 5.028 . 0 0 "[ . 1 .]" 1
168 1 82 THR H 1 83 GLU H . . 3.100 2.737 2.693 2.778 . 0 0 "[ . 1 .]" 1
169 1 86 SER HA 1 88 LEU H . . 4.400 3.939 3.738 4.085 . 0 0 "[ . 1 .]" 1
170 1 87 VAL HA 1 88 LEU H . . 3.500 3.473 3.447 3.498 . 0 0 "[ . 1 .]" 1
171 1 84 SER HA 1 87 VAL HB . . 3.890 3.415 2.562 3.891 0.001 1 0 "[ . 1 .]" 1
172 1 85 LYS HA 1 88 LEU HG . . 3.760 3.488 2.062 3.761 0.001 12 0 "[ . 1 .]" 1
173 1 89 LYS HA 1 89 LYS QE . . 4.100 3.399 2.172 4.066 . 0 0 "[ . 1 .]" 1
174 1 88 LEU HA 1 91 LEU HB2 . . 3.740 3.742 3.740 3.747 0.007 11 0 "[ . 1 .]" 1
175 1 90 SER H 1 91 LEU HB3 . . 4.230 4.238 4.232 4.253 0.023 11 0 "[ . 1 .]" 1
176 1 89 LYS H 1 91 LEU H . . 3.720 3.726 3.721 3.736 0.016 2 0 "[ . 1 .]" 1
177 1 92 THR MG 1 95 LEU H . . 4.490 4.516 4.502 4.528 0.038 2 0 "[ . 1 .]" 1
178 1 94 LYS HA 1 94 LYS QE . . 2.560 2.271 2.027 2.447 . 0 0 "[ . 1 .]" 1
179 1 94 LYS QB 1 95 LEU H . . 3.740 2.915 2.719 3.036 . 0 0 "[ . 1 .]" 1
180 1 94 LYS H 1 95 LEU H . . 3.750 2.421 2.337 2.730 . 0 0 "[ . 1 .]" 1
181 1 96 LYS H 1 98 ILE H . . 4.470 4.050 3.941 4.174 . 0 0 "[ . 1 .]" 1
182 1 97 LYS QB 1 100 GLU H . . 4.310 4.323 4.209 4.341 0.031 8 0 "[ . 1 .]" 1
183 1 98 ILE H 1 99 VAL H . . 4.040 2.758 2.754 2.777 . 0 0 "[ . 1 .]" 1
184 1 100 GLU H 1 101 LEU HB2 . . 4.040 4.155 4.149 4.173 0.133 9 0 "[ . 1 .]" 1
185 1 101 LEU H 1 102 ILE MD . . 4.510 4.255 4.221 4.310 . 0 0 "[ . 1 .]" 1
186 1 99 VAL H 1 101 LEU H . . 4.040 4.145 4.142 4.155 0.115 9 0 "[ . 1 .]" 1
187 1 107 SER H 1 109 VAL H . . 4.640 4.056 3.629 4.167 . 0 0 "[ . 1 .]" 1
188 1 107 SER QB 1 109 VAL H . . 4.520 4.568 4.357 4.611 0.091 12 0 "[ . 1 .]" 1
189 1 112 ILE QG 1 116 MET QG . . 3.310 3.312 3.309 3.316 0.006 5 0 "[ . 1 .]" 1
190 1 97 LYS QE 1 100 GLU HA . . 3.860 3.963 3.937 4.079 0.219 9 0 "[ . 1 .]" 1
191 1 114 LYS H 1 115 TYR H . . 2.600 2.658 2.642 2.667 0.067 5 0 "[ . 1 .]" 1
192 1 123 VAL QG 1 126 SER H . . 4.010 3.814 3.705 4.001 . 0 0 "[ . 1 .]" 1
193 1 127 ILE HB 1 130 THR HG1 . . 4.540 4.317 3.941 4.541 0.001 3 0 "[ . 1 .]" 1
194 1 125 SER HA 1 128 LYS QB . . 4.340 2.174 1.946 2.507 . 0 0 "[ . 1 .]" 1
195 1 135 ASN HA 1 136 THR H . . 4.000 3.478 3.433 3.515 . 0 0 "[ . 1 .]" 1
196 1 136 THR H 1 136 THR HB . . 4.000 3.380 3.283 3.403 . 0 0 "[ . 1 .]" 1
197 1 138 HIS HB2 1 139 ARG H . . 3.700 3.686 3.504 3.736 0.036 1 0 "[ . 1 .]" 1
198 1 134 ILE MD 1 138 HIS HB3 . . 3.770 3.728 3.546 3.797 0.027 1 0 "[ . 1 .]" 1
199 1 138 HIS HB3 1 139 ARG H . . 3.340 2.595 2.285 3.346 0.006 5 0 "[ . 1 .]" 1
200 1 139 ARG H 1 139 ARG QD . . 3.340 3.334 3.246 3.393 0.053 5 0 "[ . 1 .]" 1
201 1 57 ILE MG 1 60 CYS HB2 . . 3.250 3.199 2.763 3.296 0.046 13 0 "[ . 1 .]" 1
202 1 10 MET HA 1 12 ILE H . . 4.960 4.293 4.171 4.303 . 0 0 "[ . 1 .]" 1
203 1 134 ILE HA 1 136 THR H . . 4.140 3.867 3.664 4.079 . 0 0 "[ . 1 .]" 1
204 1 19 VAL QG 1 20 PHE QD . . 4.140 3.805 3.467 4.141 0.001 10 0 "[ . 1 .]" 1
205 1 8 HIS H 1 8 HIS QB . . 3.700 3.078 2.350 3.438 . 0 0 "[ . 1 .]" 1
206 1 8 HIS HA 1 8 HIS QB . . 2.640 2.250 2.153 2.405 . 0 0 "[ . 1 .]" 1
207 1 8 HIS HA 1 9 ALA H . . 3.320 2.192 2.156 2.623 . 0 0 "[ . 1 .]" 1
208 1 8 HIS HA 1 9 ALA HA . . 4.610 4.370 4.348 4.635 0.025 15 0 "[ . 1 .]" 1
209 1 8 HIS QB 1 8 HIS HD2 . . 3.350 2.823 2.626 3.142 . 0 0 "[ . 1 .]" 1
210 1 8 HIS QB 1 9 ALA H . . 3.540 3.445 2.098 3.545 0.005 7 0 "[ . 1 .]" 1
211 1 8 HIS QB 1 9 ALA MB . . 4.380 4.253 4.098 4.343 . 0 0 "[ . 1 .]" 1
212 1 9 ALA HA 1 12 ILE H . . 4.410 3.785 3.025 3.843 . 0 0 "[ . 1 .]" 1
213 1 9 ALA MB 1 10 MET H . . 3.920 2.530 2.494 2.540 . 0 0 "[ . 1 .]" 1
214 1 9 ALA MB 1 10 MET QG . . 4.000 3.293 2.946 3.992 . 0 0 "[ . 1 .]" 1
215 1 9 ALA MB 1 11 VAL H . . 4.690 4.485 4.330 4.503 . 0 0 "[ . 1 .]" 1
216 1 9 ALA MB 1 13 ASP H . . 4.710 4.742 4.730 4.744 0.034 5 0 "[ . 1 .]" 1
217 1 9 ALA MB 1 13 ASP QB . . 4.810 4.199 4.134 4.713 . 0 0 "[ . 1 .]" 1
218 1 10 MET H 1 10 MET QB . . 3.440 2.372 2.102 2.688 . 0 0 "[ . 1 .]" 1
219 1 10 MET H 1 10 MET ME . . 3.760 3.089 2.268 3.850 0.090 7 0 "[ . 1 .]" 1
220 1 10 MET H 1 10 MET QG . . 3.550 2.610 1.948 3.503 . 0 0 "[ . 1 .]" 1
221 1 10 MET H 1 11 VAL H . . 3.920 2.488 2.467 2.752 . 0 0 "[ . 1 .]" 1
222 1 10 MET H 1 11 VAL QG . . 4.670 3.611 3.456 3.784 . 0 0 "[ . 1 .]" 1
223 1 10 MET HA 1 10 MET ME . . 3.500 2.896 1.950 3.471 . 0 0 "[ . 1 .]" 1
224 1 10 MET HA 1 10 MET QG . . 3.360 2.652 2.058 3.222 . 0 0 "[ . 1 .]" 1
225 1 10 MET HA 1 11 VAL H . . 3.520 3.543 3.499 3.547 0.027 8 0 "[ . 1 .]" 1
226 1 10 MET HA 1 13 ASP QB . . 3.840 3.348 3.251 3.533 . 0 0 "[ . 1 .]" 1
227 1 10 MET ME 1 10 MET QG . . 2.930 2.163 1.987 2.539 . 0 0 "[ . 1 .]" 1
228 1 10 MET QG 1 11 VAL H . . 4.700 4.090 3.554 4.491 . 0 0 "[ . 1 .]" 1
229 1 10 MET QG 1 11 VAL QG . . 4.780 4.209 3.791 4.608 . 0 0 "[ . 1 .]" 1
230 1 11 VAL H 1 11 VAL HB . . 3.630 3.195 2.753 3.645 0.015 6 0 "[ . 1 .]" 1
231 1 11 VAL H 1 11 VAL QG . . 3.010 1.991 1.880 2.152 . 0 0 "[ . 1 .]" 1
232 1 11 VAL H 1 12 ILE H . . 3.970 2.259 2.258 2.265 . 0 0 "[ . 1 .]" 1
233 1 11 VAL HA 1 14 HIS QB . . 4.260 2.717 2.531 3.197 . 0 0 "[ . 1 .]" 1
234 1 11 VAL HB 1 11 VAL MG2 . . 2.400 2.118 2.098 2.129 . 0 0 "[ . 1 .]" 1
235 1 11 VAL HB 1 14 HIS H . . 5.500 5.377 5.224 5.499 . 0 0 "[ . 1 .]" 1
236 1 12 ILE H 1 12 ILE HB . . 4.120 2.394 2.189 2.409 . 0 0 "[ . 1 .]" 1
237 1 12 ILE H 1 12 ILE QG . . 4.210 4.052 3.972 4.064 . 0 0 "[ . 1 .]" 1
238 1 12 ILE H 1 12 ILE MG . . 3.660 2.477 2.447 2.855 . 0 0 "[ . 1 .]" 1
239 1 12 ILE H 1 13 ASP H . . 3.940 2.355 2.344 2.499 . 0 0 "[ . 1 .]" 1
240 1 12 ILE H 1 13 ASP QB . . 4.770 4.140 4.085 4.239 . 0 0 "[ . 1 .]" 1
241 1 12 ILE HA 1 12 ILE MD . . 2.760 2.761 2.745 2.780 0.020 15 0 "[ . 1 .]" 1
242 1 12 ILE HA 1 12 ILE MG . . 3.660 3.155 3.085 3.160 . 0 0 "[ . 1 .]" 1
243 1 12 ILE HB 1 12 ILE MD . . 2.650 2.135 2.027 2.217 . 0 0 "[ . 1 .]" 1
244 1 12 ILE QG 1 13 ASP H . . 4.110 4.256 4.243 4.418 0.308 15 0 "[ . 1 .]" 1
245 1 12 ILE QG 1 12 ILE MG . . 2.630 2.079 2.073 2.098 . 0 0 "[ . 1 .]" 1
246 1 12 ILE MG 1 13 ASP H . . 2.780 2.128 2.118 2.257 . 0 0 "[ . 1 .]" 1
247 1 12 ILE MG 1 13 ASP QB . . 4.500 2.898 2.814 3.103 . 0 0 "[ . 1 .]" 1
248 1 13 ASP H 1 13 ASP QB . . 3.480 2.235 2.172 2.278 . 0 0 "[ . 1 .]" 1
249 1 13 ASP HA 1 16 LEU H . . 3.960 3.739 3.470 3.961 0.001 15 0 "[ . 1 .]" 1
250 1 13 ASP QB 1 14 HIS H . . 3.860 3.040 2.798 3.143 . 0 0 "[ . 1 .]" 1
251 1 14 HIS H 1 14 HIS QB . . 3.570 2.146 2.073 2.260 . 0 0 "[ . 1 .]" 1
252 1 14 HIS H 1 16 LEU H . . 4.530 3.867 3.720 4.104 . 0 0 "[ . 1 .]" 1
253 1 14 HIS QB 1 15 ILE H . . 3.900 2.661 2.523 3.026 . 0 0 "[ . 1 .]" 1
254 1 14 HIS QB 1 15 ILE QG . . 4.690 3.361 3.141 3.674 . 0 0 "[ . 1 .]" 1
255 1 14 HIS QB 1 15 ILE MG . . 5.220 5.096 4.999 5.221 0.001 15 0 "[ . 1 .]" 1
256 1 14 HIS QB 1 16 LEU H . . 4.960 4.436 4.360 4.704 . 0 0 "[ . 1 .]" 1
257 1 14 HIS QB 1 17 LYS H . . 5.170 4.986 4.747 5.170 . 0 0 "[ . 1 .]" 1
258 1 15 ILE H 1 15 ILE QG . . 3.620 2.071 1.938 2.219 . 0 0 "[ . 1 .]" 1
259 1 15 ILE H 1 15 ILE MG . . 4.020 3.762 3.756 3.768 . 0 0 "[ . 1 .]" 1
260 1 15 ILE H 1 16 LEU H . . 3.810 2.692 2.425 2.746 . 0 0 "[ . 1 .]" 1
261 1 16 LEU H 1 16 LEU HG . . 4.600 4.467 4.442 4.504 . 0 0 "[ . 1 .]" 1
262 1 16 LEU H 1 16 LEU QB . . 3.360 2.204 2.153 2.232 . 0 0 "[ . 1 .]" 1
263 1 16 LEU H 1 16 LEU QD . . 3.660 3.613 3.479 3.661 0.001 12 0 "[ . 1 .]" 1
264 1 16 LEU H 1 17 LYS H . . 3.800 2.837 2.728 2.920 . 0 0 "[ . 1 .]" 1
265 1 16 LEU H 1 18 CYS H . . 4.210 3.978 3.872 4.212 0.002 9 0 "[ . 1 .]" 1
266 1 16 LEU HA 1 16 LEU QD . . 3.910 2.858 1.940 3.240 . 0 0 "[ . 1 .]" 1
267 1 16 LEU HA 1 18 CYS H . . 4.600 3.841 3.646 4.082 . 0 0 "[ . 1 .]" 1
268 1 16 LEU HG 1 17 LYS H . . 4.500 3.880 3.437 4.419 . 0 0 "[ . 1 .]" 1
269 1 16 LEU QB 1 17 LYS H . . 3.750 2.538 2.343 2.743 . 0 0 "[ . 1 .]" 1
270 1 16 LEU QD 1 17 LYS H . . 4.090 2.905 2.353 3.998 . 0 0 "[ . 1 .]" 1
271 1 17 LYS H 1 17 LYS QB . . 3.910 2.304 2.041 2.625 . 0 0 "[ . 1 .]" 1
272 1 17 LYS H 1 17 LYS QE . . 4.850 4.241 3.463 4.728 . 0 0 "[ . 1 .]" 1
273 1 17 LYS H 1 18 CYS H . . 4.330 2.639 2.587 2.759 . 0 0 "[ . 1 .]" 1
274 1 17 LYS HA 1 17 LYS QE . . 4.730 3.882 1.996 4.594 . 0 0 "[ . 1 .]" 1
275 1 17 LYS HA 1 20 PHE H . . 4.310 3.328 3.189 3.427 . 0 0 "[ . 1 .]" 1
276 1 17 LYS HA 1 20 PHE QB . . 5.000 2.653 2.513 2.839 . 0 0 "[ . 1 .]" 1
277 1 17 LYS QB 1 18 CYS H . . 3.420 3.016 2.736 3.106 . 0 0 "[ . 1 .]" 1
278 1 17 LYS QB 1 20 PHE H . . 4.950 4.877 4.723 4.959 0.009 10 0 "[ . 1 .]" 1
279 1 18 CYS H 1 18 CYS QB . . 3.710 2.168 2.078 2.262 . 0 0 "[ . 1 .]" 1
280 1 18 CYS H 1 19 VAL H . . 3.960 2.484 2.378 2.624 . 0 0 "[ . 1 .]" 1
281 1 18 CYS QB 1 19 VAL H . . 3.860 2.685 2.597 2.763 . 0 0 "[ . 1 .]" 1
282 1 18 CYS QB 1 19 VAL HA . . 4.730 3.965 3.878 4.095 . 0 0 "[ . 1 .]" 1
283 1 18 CYS QB 1 21 ASP H . . 5.090 5.028 5.003 5.058 . 0 0 "[ . 1 .]" 1
284 1 19 VAL H 1 19 VAL HB . . 3.690 2.247 2.238 2.287 . 0 0 "[ . 1 .]" 1
285 1 19 VAL H 1 19 VAL MG1 . . 4.110 3.048 2.933 3.643 . 0 0 "[ . 1 .]" 1
286 1 19 VAL H 1 19 VAL MG2 . . 4.110 3.480 2.824 3.586 . 0 0 "[ . 1 .]" 1
287 1 19 VAL H 1 19 VAL QG . . 3.150 2.816 2.732 2.830 . 0 0 "[ . 1 .]" 1
288 1 19 VAL H 1 20 PHE H . . 3.960 2.280 2.278 2.289 . 0 0 "[ . 1 .]" 1
289 1 19 VAL H 1 21 ASP H . . 4.330 3.730 3.659 3.747 . 0 0 "[ . 1 .]" 1
290 1 19 VAL HB 1 19 VAL MG2 . . 2.440 2.111 2.085 2.130 . 0 0 "[ . 1 .]" 1
291 1 19 VAL HB 1 20 PHE H . . 4.010 3.434 2.946 3.529 . 0 0 "[ . 1 .]" 1
292 1 19 VAL QG 1 20 PHE H . . 3.350 2.486 2.379 3.134 . 0 0 "[ . 1 .]" 1
293 1 20 PHE H 1 20 PHE QB . . 3.370 2.154 2.101 2.232 . 0 0 "[ . 1 .]" 1
294 1 20 PHE H 1 20 PHE QD . . 4.140 4.040 3.882 4.114 . 0 0 "[ . 1 .]" 1
295 1 20 PHE HA 1 20 PHE QD . . 3.720 2.447 2.275 3.052 . 0 0 "[ . 1 .]" 1
296 1 20 PHE HA 1 23 ILE H . . 3.920 3.553 3.393 3.741 . 0 0 "[ . 1 .]" 1
297 1 20 PHE HA 1 23 ILE HB . . 4.280 2.787 2.310 3.440 . 0 0 "[ . 1 .]" 1
298 1 20 PHE HA 1 23 ILE MD . . 3.690 1.962 1.912 2.061 . 0 0 "[ . 1 .]" 1
299 1 19 VAL HB 1 20 PHE QB . . 4.820 4.799 4.250 4.886 0.066 3 0 "[ . 1 .]" 1
300 1 20 PHE QB 1 21 ASP H . . 3.900 3.088 3.058 3.110 . 0 0 "[ . 1 .]" 1
301 1 20 PHE QB 1 21 ASP HA . . 4.390 3.921 3.901 3.975 . 0 0 "[ . 1 .]" 1
302 1 20 PHE QB 1 23 ILE MD . . 3.770 3.723 3.543 3.772 0.002 9 0 "[ . 1 .]" 1
303 1 20 PHE QD 1 21 ASP H . . 4.870 4.567 4.421 4.721 . 0 0 "[ . 1 .]" 1
304 1 20 PHE QD 1 23 ILE MD . . 3.290 2.880 2.262 3.291 0.001 3 0 "[ . 1 .]" 1
305 1 20 PHE HA 1 21 ASP H . . 4.300 3.414 3.414 3.415 . 0 0 "[ . 1 .]" 1
306 1 21 ASP H 1 22 LYS H . . 4.550 2.632 2.455 2.724 . 0 0 "[ . 1 .]" 1
307 1 21 ASP H 1 23 ILE H . . 5.240 3.978 3.820 4.266 . 0 0 "[ . 1 .]" 1
308 1 21 ASP HA 1 24 CYS H . . 4.120 3.717 3.442 3.936 . 0 0 "[ . 1 .]" 1
309 1 21 ASP QB 1 22 LYS H . . 4.720 2.463 2.260 2.616 . 0 0 "[ . 1 .]" 1
310 1 22 LYS H 1 22 LYS QB . . 3.540 2.104 2.041 2.583 . 0 0 "[ . 1 .]" 1
311 1 22 LYS H 1 22 LYS QE . . 3.330 2.477 1.930 3.352 0.022 8 0 "[ . 1 .]" 1
312 1 22 LYS H 1 23 ILE H . . 3.830 2.698 2.523 2.861 . 0 0 "[ . 1 .]" 1
313 1 22 LYS H 1 24 CYS H . . 4.250 4.252 4.251 4.255 0.005 11 0 "[ . 1 .]" 1
314 1 22 LYS QB 1 22 LYS QE . . 2.400 2.242 1.924 2.414 0.014 8 0 "[ . 1 .]" 1
315 1 22 LYS QB 1 23 ILE H . . 3.450 2.678 2.438 2.807 . 0 0 "[ . 1 .]" 1
316 1 23 ILE H 1 23 ILE HB . . 3.740 2.473 2.346 2.600 . 0 0 "[ . 1 .]" 1
317 1 23 ILE H 1 23 ILE QG . . 3.670 2.247 1.959 2.633 . 0 0 "[ . 1 .]" 1
318 1 23 ILE H 1 23 ILE MG . . 3.830 3.747 3.713 3.766 . 0 0 "[ . 1 .]" 1
319 1 23 ILE HA 1 23 ILE MG . . 3.160 2.432 2.309 2.546 . 0 0 "[ . 1 .]" 1
320 1 23 ILE HB 1 24 CYS H . . 4.230 2.740 2.571 2.914 . 0 0 "[ . 1 .]" 1
321 1 23 ILE MG 1 24 CYS H . . 4.030 3.331 3.072 3.522 . 0 0 "[ . 1 .]" 1
322 1 24 CYS H 1 25 LYS H . . 3.870 2.373 2.370 2.376 . 0 0 "[ . 1 .]" 1
323 1 24 CYS HA 1 26 ILE H . . 5.220 4.858 4.735 5.061 . 0 0 "[ . 1 .]" 1
324 1 24 CYS QB 1 25 LYS H . . 4.760 2.991 2.851 3.065 . 0 0 "[ . 1 .]" 1
325 1 26 ILE H 1 26 ILE HB . . 3.760 2.613 2.217 3.661 . 0 0 "[ . 1 .]" 1
326 1 26 ILE H 1 26 ILE QG . . 4.090 3.610 2.028 4.080 . 0 0 "[ . 1 .]" 1
327 1 26 ILE H 1 26 ILE MG . . 3.370 2.482 2.113 2.727 . 0 0 "[ . 1 .]" 1
328 1 26 ILE H 1 27 GLY H . . 4.020 2.384 2.317 2.695 . 0 0 "[ . 1 .]" 1
329 1 26 ILE HA 1 26 ILE QG . . 3.980 2.372 2.015 3.309 . 0 0 "[ . 1 .]" 1
330 1 26 ILE HA 1 29 GLU QB . . 3.320 2.793 2.137 3.321 0.001 2 0 "[ . 1 .]" 1
331 1 26 ILE HA 1 29 GLU QG . . 3.300 3.014 2.188 3.301 0.001 2 0 "[ . 1 .]" 1
332 1 26 ILE MD 1 27 GLY H . . 5.480 4.939 4.148 5.223 . 0 0 "[ . 1 .]" 1
333 1 26 ILE QG 1 27 GLY H . . 4.640 3.992 2.442 4.388 . 0 0 "[ . 1 .]" 1
334 1 26 ILE QG 1 27 GLY QA . . 5.310 4.102 2.911 4.453 . 0 0 "[ . 1 .]" 1
335 1 26 ILE MG 1 27 GLY H . . 4.570 2.711 2.248 4.046 . 0 0 "[ . 1 .]" 1
336 1 27 GLY H 1 28 THR H . . 4.270 2.581 2.396 2.814 . 0 0 "[ . 1 .]" 1
337 1 28 THR H 1 28 THR HB . . 4.160 3.099 2.376 3.629 . 0 0 "[ . 1 .]" 1
338 1 28 THR H 1 28 THR MG . . 4.260 3.019 2.082 3.795 . 0 0 "[ . 1 .]" 1
339 1 29 GLU H 1 29 GLU QB . . 2.780 2.393 2.237 2.591 . 0 0 "[ . 1 .]" 1
340 1 29 GLU H 1 29 GLU QG . . 2.810 2.451 2.151 2.837 0.027 15 0 "[ . 1 .]" 1
341 1 29 GLU H 1 30 SER H . . 2.550 2.527 2.338 2.552 0.002 10 0 "[ . 1 .]" 1
342 1 29 GLU QB 1 30 SER H . . 3.330 2.870 2.520 3.394 0.064 15 0 "[ . 1 .]" 1
343 1 29 GLU QG 1 30 SER H . . 4.280 4.032 2.283 4.280 . 1 0 "[ . 1 .]" 1
344 1 30 SER H 1 30 SER QB . . 2.840 2.275 2.119 2.648 . 0 0 "[ . 1 .]" 1
345 1 30 SER H 1 31 VAL QG . . 4.190 3.632 3.422 3.896 . 0 0 "[ . 1 .]" 1
346 1 30 SER QB 1 31 VAL H . . 4.160 3.167 2.841 3.683 . 0 0 "[ . 1 .]" 1
347 1 31 VAL H 1 31 VAL HB . . 3.100 2.587 2.521 2.698 . 0 0 "[ . 1 .]" 1
348 1 31 VAL H 1 31 VAL QG . . 3.510 2.124 1.907 2.266 . 0 0 "[ . 1 .]" 1
349 1 28 THR HA 1 31 VAL HB . . 4.180 3.472 2.516 4.115 . 0 0 "[ . 1 .]" 1
350 1 32 GLU H 1 32 GLU QB . . 2.970 2.265 2.194 2.695 . 0 0 "[ . 1 .]" 1
351 1 32 GLU H 1 32 GLU QG . . 3.770 3.374 2.177 3.604 . 0 0 "[ . 1 .]" 1
352 1 32 GLU QB 1 33 ALA H . . 2.870 2.346 2.147 2.405 . 0 0 "[ . 1 .]" 1
353 1 32 GLU QB 1 33 ALA HA . . 4.300 3.741 3.724 3.748 . 0 0 "[ . 1 .]" 1
354 1 32 GLU QB 1 33 ALA MB . . 3.790 3.651 3.500 3.750 . 0 0 "[ . 1 .]" 1
355 1 32 GLU QB 1 36 LEU HB2 . . 3.980 3.937 3.869 4.006 0.026 12 0 "[ . 1 .]" 1
356 1 32 GLU QG 1 33 ALA HA . . 5.500 5.523 5.507 5.527 0.027 5 0 "[ . 1 .]" 1
357 1 33 ALA H 1 33 ALA MB . . 2.690 2.140 2.029 2.234 . 0 0 "[ . 1 .]" 1
358 1 33 ALA HA 1 36 LEU H . . 4.490 3.382 3.245 3.458 . 0 0 "[ . 1 .]" 1
359 1 33 ALA HA 1 36 LEU HB2 . . 4.000 2.387 2.281 2.475 . 0 0 "[ . 1 .]" 1
360 1 33 ALA HA 1 36 LEU QD . . 4.090 3.378 3.000 3.893 . 0 0 "[ . 1 .]" 1
361 1 33 ALA HA 1 37 ILE H . . 3.530 3.593 3.563 3.628 0.098 11 0 "[ . 1 .]" 1
362 1 33 ALA HA 1 37 ILE QG . . 4.690 4.562 4.484 4.639 . 0 0 "[ . 1 .]" 1
363 1 33 ALA MB 1 34 GLY H . . 3.300 2.935 2.852 3.005 . 0 0 "[ . 1 .]" 1
364 1 34 GLY H 1 35 ARG H . . 3.350 2.552 2.483 2.650 . 0 0 "[ . 1 .]" 1
365 1 34 GLY H 1 35 ARG QB . . 5.500 4.613 4.278 5.075 . 0 0 "[ . 1 .]" 1
366 1 34 GLY QA 1 35 ARG H . . 2.810 2.721 2.713 2.733 . 0 0 "[ . 1 .]" 1
367 1 34 GLY QA 1 35 ARG HE . . 5.500 4.257 2.256 5.402 . 0 0 "[ . 1 .]" 1
368 1 34 GLY QA 1 38 GLU QB . . 4.790 4.650 4.140 4.817 0.027 13 0 "[ . 1 .]" 1
369 1 35 ARG H 1 35 ARG HA . . 2.880 2.906 2.904 2.908 0.028 13 0 "[ . 1 .]" 1
370 1 35 ARG H 1 35 ARG HE . . 4.340 4.058 2.337 4.423 0.083 6 0 "[ . 1 .]" 1
371 1 35 ARG H 1 35 ARG QB . . 3.020 2.393 2.134 2.761 . 0 0 "[ . 1 .]" 1
372 1 35 ARG H 1 35 ARG QD . . 3.580 2.804 2.513 3.149 . 0 0 "[ . 1 .]" 1
373 1 35 ARG HA 1 35 ARG QD . . 3.980 2.318 2.131 2.632 . 0 0 "[ . 1 .]" 1
374 1 35 ARG HA 1 38 GLU H . . 3.860 3.603 3.403 3.739 . 0 0 "[ . 1 .]" 1
375 1 35 ARG HA 1 38 GLU QB . . 2.850 2.733 2.459 2.863 0.013 2 0 "[ . 1 .]" 1
376 1 35 ARG QB 1 35 ARG HE . . 4.110 3.408 2.086 4.137 0.027 14 0 "[ . 1 .]" 1
377 1 35 ARG QD 1 35 ARG QH1 . . 3.400 1.919 1.863 1.976 . 0 0 "[ . 1 .]" 1
378 1 35 ARG QD 1 36 LEU H . . 4.420 4.495 4.380 4.651 0.231 10 0 "[ . 1 .]" 1
379 1 36 LEU H 1 36 LEU HA . . 2.960 2.872 2.850 2.882 . 0 0 "[ . 1 .]" 1
380 1 36 LEU H 1 36 LEU HB2 . . 2.660 2.104 2.085 2.117 . 0 0 "[ . 1 .]" 1
381 1 36 LEU H 1 36 LEU HB3 . . 3.390 3.381 3.326 3.404 0.014 7 0 "[ . 1 .]" 1
382 1 36 LEU H 1 36 LEU QD . . 2.670 2.585 2.358 2.666 . 0 0 "[ . 1 .]" 1
383 1 36 LEU H 1 38 GLU QB . . 5.340 4.941 4.707 5.117 . 0 0 "[ . 1 .]" 1
384 1 36 LEU HA 1 36 LEU HB3 . . 2.780 2.743 2.725 2.780 0.000 13 0 "[ . 1 .]" 1
385 1 36 LEU HA 1 36 LEU QD . . 2.860 2.303 1.911 2.664 . 0 0 "[ . 1 .]" 1
386 1 36 LEU HB2 1 37 ILE H . . 4.350 2.997 2.929 3.104 . 0 0 "[ . 1 .]" 1
387 1 36 LEU HB3 1 36 LEU QD . . 2.890 2.231 2.102 2.404 . 0 0 "[ . 1 .]" 1
388 1 36 LEU HB3 1 37 ILE H . . 3.520 3.196 3.134 3.249 . 0 0 "[ . 1 .]" 1
389 1 37 ILE H 1 37 ILE HB . . 3.070 2.208 2.200 2.216 . 0 0 "[ . 1 .]" 1
390 1 37 ILE H 1 37 ILE QG . . 3.830 3.607 3.586 3.654 . 0 0 "[ . 1 .]" 1
391 1 37 ILE H 1 37 ILE MD . . 3.280 2.214 2.149 2.408 . 0 0 "[ . 1 .]" 1
392 1 37 ILE HA 1 37 ILE MD . . 2.990 2.212 2.085 2.349 . 0 0 "[ . 1 .]" 1
393 1 37 ILE HA 1 37 ILE QG . . 3.950 2.462 2.404 2.524 . 0 0 "[ . 1 .]" 1
394 1 37 ILE HA 1 38 GLU H . . 3.490 3.545 3.524 3.562 0.072 13 0 "[ . 1 .]" 1
395 1 37 ILE HB 1 38 GLU H . . 3.860 2.776 2.646 2.913 . 0 0 "[ . 1 .]" 1
396 1 37 ILE QG 1 38 GLU H . . 4.790 4.510 4.414 4.597 . 0 0 "[ . 1 .]" 1
397 1 37 ILE MG 1 38 GLU H . . 2.820 2.740 2.563 2.881 0.061 11 0 "[ . 1 .]" 1
398 1 37 ILE MG 1 38 GLU HA . . 2.980 2.902 2.824 2.966 . 0 0 "[ . 1 .]" 1
399 1 38 GLU H 1 38 GLU QB . . 2.860 2.339 2.052 2.480 . 0 0 "[ . 1 .]" 1
400 1 38 GLU HA 1 38 GLU QB . . 2.720 2.350 2.167 2.425 . 0 0 "[ . 1 .]" 1
401 1 38 GLU HA 1 38 GLU QG . . 2.930 2.622 2.449 2.937 0.007 11 0 "[ . 1 .]" 1
402 1 38 GLU QB 1 39 LEU H . . 2.880 2.356 2.191 2.895 0.015 9 0 "[ . 1 .]" 1
403 1 38 GLU H 1 38 GLU QG . . 3.460 2.567 2.108 3.556 0.096 11 0 "[ . 1 .]" 1
404 1 38 GLU QG 1 39 LEU H . . 3.840 3.635 2.396 4.027 0.187 8 0 "[ . 1 .]" 1
405 1 39 LEU H 1 39 LEU HA . . 2.920 2.754 2.745 2.758 . 0 0 "[ . 1 .]" 1
406 1 39 LEU H 1 39 LEU HB2 . . 2.660 2.183 2.128 2.231 . 0 0 "[ . 1 .]" 1
407 1 39 LEU H 1 39 LEU HB3 . . 3.510 3.493 3.451 3.522 0.012 14 0 "[ . 1 .]" 1
408 1 39 LEU H 1 39 LEU QD . . 2.760 1.964 1.918 2.130 . 0 0 "[ . 1 .]" 1
409 1 39 LEU HA 1 39 LEU QD . . 2.900 1.998 1.909 2.189 . 0 0 "[ . 1 .]" 1
410 1 39 LEU HB2 1 40 SER H . . 3.140 2.972 2.807 3.132 . 0 0 "[ . 1 .]" 1
411 1 39 LEU HB2 1 40 SER HA . . 5.060 4.757 4.658 4.935 . 0 0 "[ . 1 .]" 1
412 1 36 LEU HA 1 39 LEU HB3 . . 4.500 4.452 4.041 4.543 0.043 6 0 "[ . 1 .]" 1
413 1 39 LEU HA 1 39 LEU HB3 . . 2.950 2.690 2.653 2.734 . 0 0 "[ . 1 .]" 1
414 1 39 LEU HB3 1 39 LEU QD . . 3.090 2.326 2.098 2.444 . 0 0 "[ . 1 .]" 1
415 1 39 LEU HB3 1 40 SER H . . 3.390 3.368 3.084 3.426 0.036 12 0 "[ . 1 .]" 1
416 1 40 SER H 1 40 SER QB . . 2.640 2.155 2.050 2.381 . 0 0 "[ . 1 .]" 1
417 1 40 SER QB 1 41 GLN H . . 3.390 2.564 2.262 2.819 . 0 0 "[ . 1 .]" 1
418 1 41 GLN H 1 41 GLN QB . . 3.220 2.674 2.620 2.728 . 0 0 "[ . 1 .]" 1
419 1 41 GLN H 1 41 GLN QG . . 3.180 2.033 1.912 2.114 . 0 0 "[ . 1 .]" 1
420 1 41 GLN HA 1 41 GLN QE . . 4.940 4.268 2.970 4.932 . 0 0 "[ . 1 .]" 1
421 1 41 GLN HA 1 41 GLN QG . . 3.300 2.690 2.495 3.152 . 0 0 "[ . 1 .]" 1
422 1 41 GLN QB 1 41 GLN HE22 . . 4.790 4.039 3.603 4.459 . 0 0 "[ . 1 .]" 1
423 1 41 GLN HE22 1 41 GLN QG . . 3.790 3.229 3.216 3.300 . 0 0 "[ . 1 .]" 1
424 1 41 GLN QG 1 43 GLY H . . 5.350 4.670 4.303 5.375 0.025 11 0 "[ . 1 .]" 1
425 1 42 GLU H 1 42 GLU QB . . 3.480 2.968 2.958 2.978 . 0 0 "[ . 1 .]" 1
426 1 42 GLU H 1 43 GLY H . . 2.870 2.031 1.895 2.372 . 0 0 "[ . 1 .]" 1
427 1 42 GLU HA 1 42 GLU QB . . 2.560 2.426 2.280 2.518 . 0 0 "[ . 1 .]" 1
428 1 42 GLU HA 1 42 GLU QG . . 3.340 2.307 2.049 2.788 . 0 0 "[ . 1 .]" 1
429 1 42 GLU HA 1 43 GLY H . . 3.460 3.349 2.641 3.555 0.095 3 0 "[ . 1 .]" 1
430 1 42 GLU QB 1 43 GLY QA . . 4.440 4.077 3.819 4.335 . 0 0 "[ . 1 .]" 1
431 1 42 GLU QB 1 44 GLY H . . 5.210 2.947 2.168 4.772 . 0 0 "[ . 1 .]" 1
432 1 43 GLY H 1 44 GLY H . . 2.840 2.685 2.333 2.797 . 0 0 "[ . 1 .]" 1
433 1 44 GLY H 1 44 GLY QA . . 2.400 2.334 2.258 2.418 0.018 3 0 "[ . 1 .]" 1
434 1 48 GLY QA 1 50 LEU H . . 3.320 3.003 2.977 3.031 . 0 0 "[ . 1 .]" 1
435 1 48 GLY QA 1 50 LEU QB . . 4.150 4.178 4.145 4.208 0.058 7 0 "[ . 1 .]" 1
436 1 48 GLY QA 1 50 LEU QD . . 4.010 3.066 2.647 3.527 . 0 0 "[ . 1 .]" 1
437 1 49 PRO HA 1 52 PHE H . . 4.240 3.555 3.287 4.014 . 0 0 "[ . 1 .]" 1
438 1 49 PRO HA 1 52 PHE QB . . 4.440 3.146 2.565 4.115 . 0 0 "[ . 1 .]" 1
439 1 49 PRO HB2 1 50 LEU H . . 4.460 3.761 3.750 3.774 . 0 0 "[ . 1 .]" 1
440 1 49 PRO HB3 1 50 LEU H . . 4.460 4.389 4.382 4.397 . 0 0 "[ . 1 .]" 1
441 1 49 PRO QB 1 50 LEU H . . 3.720 3.558 3.548 3.568 . 0 0 "[ . 1 .]" 1
442 1 49 PRO QB 1 52 PHE H . . 5.100 4.891 4.683 5.076 . 0 0 "[ . 1 .]" 1
443 1 49 PRO QB 1 52 PHE QB . . 5.300 4.186 3.852 4.625 . 0 0 "[ . 1 .]" 1
444 1 48 GLY H 1 49 PRO QD . . 4.460 4.181 4.093 4.273 . 0 0 "[ . 1 .]" 1
445 1 50 LEU H 1 50 LEU QB . . 2.710 2.483 2.456 2.506 . 0 0 "[ . 1 .]" 1
446 1 50 LEU H 1 50 LEU QD . . 3.140 2.362 1.850 2.941 . 0 0 "[ . 1 .]" 1
447 1 50 LEU H 1 51 TYR H . . 3.250 2.428 2.376 2.496 . 0 0 "[ . 1 .]" 1
448 1 50 LEU HA 1 50 LEU QD . . 2.400 2.204 1.985 2.437 0.037 7 0 "[ . 1 .]" 1
449 1 50 LEU HA 1 51 TYR QB . . 5.500 5.180 5.147 5.226 . 0 0 "[ . 1 .]" 1
450 1 50 LEU HA 1 52 PHE QB . . 5.060 4.807 4.185 5.033 . 0 0 "[ . 1 .]" 1
451 1 50 LEU HA 1 54 VAL H . . 5.060 4.054 3.802 4.290 . 0 0 "[ . 1 .]" 1
452 1 50 LEU QB 1 50 LEU QD . . 2.400 1.899 1.866 1.930 . 0 0 "[ . 1 .]" 1
453 1 50 LEU QB 1 51 TYR H . . 3.140 2.822 2.654 2.962 . 0 0 "[ . 1 .]" 1
454 1 50 LEU QB 1 52 PHE H . . 5.020 4.736 4.583 4.865 . 0 0 "[ . 1 .]" 1
455 1 50 LEU QB 1 53 VAL H . . 4.950 4.835 4.636 4.967 0.017 10 0 "[ . 1 .]" 1
456 1 50 LEU QB 1 54 VAL H . . 4.940 4.476 4.108 4.776 . 0 0 "[ . 1 .]" 1
457 1 51 TYR H 1 51 TYR QB . . 2.720 2.098 2.060 2.144 . 0 0 "[ . 1 .]" 1
458 1 51 TYR H 1 51 TYR QD . . 4.270 3.643 2.760 4.065 . 0 0 "[ . 1 .]" 1
459 1 51 TYR HA 1 51 TYR QD . . 3.960 3.102 2.568 3.607 . 0 0 "[ . 1 .]" 1
460 1 51 TYR HA 1 54 VAL H . . 3.670 3.342 3.146 3.677 0.007 4 0 "[ . 1 .]" 1
461 1 51 TYR HA 1 55 ASN H . . 3.730 3.744 3.663 3.775 0.045 5 0 "[ . 1 .]" 1
462 1 51 TYR QD 1 52 PHE H . . 4.570 3.008 2.525 3.618 . 0 0 "[ . 1 .]" 1
463 1 51 TYR HA 1 52 PHE H . . 3.630 3.506 3.442 3.528 . 0 0 "[ . 1 .]" 1
464 1 52 PHE H 1 52 PHE QB . . 3.210 2.140 2.095 2.209 . 0 0 "[ . 1 .]" 1
465 1 52 PHE H 1 52 PHE QD . . 4.280 3.914 3.782 4.093 . 0 0 "[ . 1 .]" 1
466 1 52 PHE HA 1 52 PHE QD . . 3.890 3.041 2.866 3.130 . 0 0 "[ . 1 .]" 1
467 1 52 PHE HA 1 55 ASN H . . 4.070 3.722 3.596 3.846 . 0 0 "[ . 1 .]" 1
468 1 52 PHE HA 1 55 ASN QB . . 4.450 3.343 2.902 3.928 . 0 0 "[ . 1 .]" 1
469 1 52 PHE HA 1 55 ASN QD . . 4.610 3.461 1.872 4.617 0.007 13 0 "[ . 1 .]" 1
470 1 52 PHE HA 1 56 VAL H . . 5.320 4.154 4.027 4.280 . 0 0 "[ . 1 .]" 1
471 1 52 PHE QB 1 53 VAL H . . 3.720 2.757 2.425 3.016 . 0 0 "[ . 1 .]" 1
472 1 52 PHE QB 1 54 VAL H . . 4.970 4.673 4.477 4.829 . 0 0 "[ . 1 .]" 1
473 1 52 PHE QD 1 53 VAL H . . 4.310 2.789 2.410 3.183 . 0 0 "[ . 1 .]" 1
474 1 52 PHE QD 1 56 VAL HB . . 5.500 4.287 4.039 4.627 . 0 0 "[ . 1 .]" 1
475 1 53 VAL H 1 53 VAL HB . . 3.740 2.541 2.311 3.605 . 0 0 "[ . 1 .]" 1
476 1 53 VAL H 1 53 VAL QG . . 3.730 2.459 1.844 2.642 . 0 0 "[ . 1 .]" 1
477 1 53 VAL H 1 54 VAL HB . . 4.830 4.439 4.276 4.651 . 0 0 "[ . 1 .]" 1
478 1 53 VAL HA 1 56 VAL H . . 3.920 3.370 3.307 3.443 . 0 0 "[ . 1 .]" 1
479 1 53 VAL HA 1 56 VAL HB . . 4.100 2.794 2.391 3.748 . 0 0 "[ . 1 .]" 1
480 1 53 VAL HA 1 56 VAL QG . . 3.300 2.885 1.878 3.280 . 0 0 "[ . 1 .]" 1
481 1 53 VAL HA 1 57 ILE H . . 4.370 3.437 3.253 3.809 . 0 0 "[ . 1 .]" 1
482 1 53 VAL HB 1 54 VAL H . . 3.640 3.230 2.819 3.752 0.112 2 0 "[ . 1 .]" 1
483 1 53 VAL QG 1 54 VAL H . . 3.310 2.860 2.110 3.320 0.010 1 0 "[ . 1 .]" 1
484 1 53 VAL QG 1 54 VAL HA . . 3.320 3.224 2.930 3.364 0.044 2 0 "[ . 1 .]" 1
485 1 54 VAL H 1 54 VAL QG . . 2.770 2.628 2.477 2.728 . 0 0 "[ . 1 .]" 1
486 1 54 VAL HA 1 54 VAL MG1 . . 3.260 2.528 2.471 2.583 . 0 0 "[ . 1 .]" 1
487 1 54 VAL HA 1 57 ILE H . . 3.960 3.789 3.592 3.902 . 0 0 "[ . 1 .]" 1
488 1 54 VAL HA 1 57 ILE HB . . 4.470 3.241 3.029 3.369 . 0 0 "[ . 1 .]" 1
489 1 54 VAL HB 1 55 ASN H . . 3.950 2.908 2.746 2.979 . 0 0 "[ . 1 .]" 1
490 1 54 VAL QG 1 55 ASN H . . 3.310 3.147 3.060 3.298 . 0 0 "[ . 1 .]" 1
491 1 54 VAL QG 1 55 ASN HA . . 3.330 3.240 3.184 3.335 0.005 13 0 "[ . 1 .]" 1
492 1 55 ASN H 1 55 ASN HD21 . . 4.610 2.422 2.148 4.070 . 0 0 "[ . 1 .]" 1
493 1 55 ASN H 1 55 ASN QB . . 3.310 2.275 2.217 2.364 . 0 0 "[ . 1 .]" 1
494 1 55 ASN HA 1 55 ASN QD . . 4.570 3.298 2.590 4.150 . 0 0 "[ . 1 .]" 1
495 1 55 ASN HA 1 58 GLU H . . 4.730 3.660 3.569 3.722 . 0 0 "[ . 1 .]" 1
496 1 55 ASN QB 1 56 VAL H . . 3.930 3.166 2.927 3.519 . 0 0 "[ . 1 .]" 1
497 1 56 VAL H 1 56 VAL HB . . 3.300 2.382 2.301 2.579 . 0 0 "[ . 1 .]" 1
498 1 56 VAL H 1 57 ILE HB . . 4.610 4.555 4.426 4.620 0.010 2 0 "[ . 1 .]" 1
499 1 56 VAL H 1 57 ILE QG . . 4.220 4.102 4.076 4.147 . 0 0 "[ . 1 .]" 1
500 1 56 VAL HA 1 56 VAL QG . . 3.090 2.133 2.095 2.241 . 0 0 "[ . 1 .]" 1
501 1 56 VAL HA 1 58 GLU H . . 4.450 4.191 4.130 4.323 . 0 0 "[ . 1 .]" 1
502 1 56 VAL HA 1 60 CYS H . . 4.930 4.893 4.752 4.958 0.028 10 0 "[ . 1 .]" 1
503 1 56 VAL HB 1 57 ILE H . . 4.050 2.981 2.622 3.912 . 0 0 "[ . 1 .]" 1
504 1 56 VAL QG 1 57 ILE H . . 4.100 2.709 2.072 2.962 . 0 0 "[ . 1 .]" 1
505 1 57 ILE H 1 57 ILE HB . . 3.750 2.465 2.415 2.497 . 0 0 "[ . 1 .]" 1
506 1 57 ILE H 1 57 ILE MD . . 3.890 3.608 3.411 3.889 . 0 0 "[ . 1 .]" 1
507 1 57 ILE H 1 57 ILE QG . . 3.630 2.341 2.214 2.606 . 0 0 "[ . 1 .]" 1
508 1 57 ILE H 1 58 GLU H . . 3.810 2.401 2.235 2.472 . 0 0 "[ . 1 .]" 1
509 1 57 ILE HA 1 57 ILE QG . . 3.080 2.771 2.442 2.872 . 0 0 "[ . 1 .]" 1
510 1 57 ILE HB 1 58 GLU H . . 4.220 3.038 2.997 3.062 . 0 0 "[ . 1 .]" 1
511 1 57 ILE QG 1 58 GLU H . . 4.260 4.181 4.148 4.238 . 0 0 "[ . 1 .]" 1
512 1 57 ILE MG 1 58 GLU H . . 3.870 3.720 3.604 3.790 . 0 0 "[ . 1 .]" 1
513 1 58 GLU H 1 58 GLU QB . . 3.410 2.072 2.056 2.140 . 0 0 "[ . 1 .]" 1
514 1 58 GLU H 1 58 GLU QG . . 4.000 3.252 3.124 3.813 . 0 0 "[ . 1 .]" 1
515 1 58 GLU H 1 60 CYS H . . 4.240 3.907 3.830 3.996 . 0 0 "[ . 1 .]" 1
516 1 60 CYS H 1 61 LYS H . . 3.940 2.591 2.566 2.631 . 0 0 "[ . 1 .]" 1
517 1 60 CYS H 1 61 LYS QB . . 4.520 4.523 4.521 4.524 0.004 13 0 "[ . 1 .]" 1
518 1 60 CYS HA 1 61 LYS H . . 3.520 3.494 3.474 3.519 . 0 0 "[ . 1 .]" 1
519 1 60 CYS HA 1 63 PHE H . . 3.390 3.382 3.324 3.403 0.013 1 0 "[ . 1 .]" 1
520 1 61 LYS H 1 61 LYS QB . . 3.820 2.345 2.306 2.376 . 0 0 "[ . 1 .]" 1
521 1 61 LYS H 1 62 LYS H . . 3.920 2.952 2.894 3.008 . 0 0 "[ . 1 .]" 1
522 1 61 LYS QB 1 64 SER H . . 4.500 4.539 4.509 4.565 0.065 10 0 "[ . 1 .]" 1
523 1 63 PHE H 1 63 PHE QB . . 3.490 2.133 2.116 2.246 . 0 0 "[ . 1 .]" 1
524 1 63 PHE H 1 63 PHE QD . . 4.420 3.678 3.568 4.136 . 0 0 "[ . 1 .]" 1
525 1 63 PHE HA 1 63 PHE QD . . 4.070 3.147 3.045 3.169 . 0 0 "[ . 1 .]" 1
526 1 63 PHE HA 1 66 LEU H . . 4.150 3.180 2.964 3.657 . 0 0 "[ . 1 .]" 1
527 1 63 PHE HA 1 66 LEU HG . . 3.880 2.130 1.998 2.696 . 0 0 "[ . 1 .]" 1
528 1 63 PHE QB 1 64 SER H . . 3.990 3.127 2.938 3.174 . 0 0 "[ . 1 .]" 1
529 1 63 PHE QD 1 64 SER H . . 4.320 3.211 3.106 4.322 0.002 1 0 "[ . 1 .]" 1
530 1 63 PHE QD 1 66 LEU H . . 5.360 4.577 4.125 4.825 . 0 0 "[ . 1 .]" 1
531 1 63 PHE QD 1 66 LEU HG . . 4.430 4.045 2.940 4.432 0.002 1 0 "[ . 1 .]" 1
532 1 63 PHE QR 1 67 THR MG . . 4.200 3.845 2.709 4.607 0.407 5 0 "[ . 1 .]" 1
533 1 64 SER H 1 64 SER QB . . 3.350 2.205 2.050 2.502 . 0 0 "[ . 1 .]" 1
534 1 64 SER H 1 66 LEU H . . 4.270 4.015 3.923 4.272 0.002 8 0 "[ . 1 .]" 1
535 1 64 SER HA 1 66 LEU H . . 4.400 3.984 3.648 4.137 . 0 0 "[ . 1 .]" 1
536 1 65 GLU H 1 65 GLU QB . . 3.200 2.434 2.337 2.578 . 0 0 "[ . 1 .]" 1
537 1 65 GLU H 1 65 GLU QG . . 3.040 2.356 1.993 2.648 . 0 0 "[ . 1 .]" 1
538 1 65 GLU H 1 66 LEU H . . 2.700 2.499 2.374 2.709 0.009 11 0 "[ . 1 .]" 1
539 1 65 GLU HA 1 65 GLU QG . . 2.740 2.429 2.323 2.626 . 0 0 "[ . 1 .]" 1
540 1 65 GLU HA 1 68 GLY H . . 3.580 3.572 3.489 3.592 0.012 7 0 "[ . 1 .]" 1
541 1 65 GLU QB 1 66 LEU H . . 3.140 2.953 2.845 3.006 . 0 0 "[ . 1 .]" 1
542 1 65 GLU QG 1 66 LEU H . . 4.300 4.178 3.961 4.265 . 0 0 "[ . 1 .]" 1
543 1 66 LEU H 1 66 LEU HA . . 2.830 2.845 2.832 2.862 0.032 13 0 "[ . 1 .]" 1
544 1 66 LEU H 1 66 LEU HG . . 3.110 2.282 2.093 2.407 . 0 0 "[ . 1 .]" 1
545 1 66 LEU H 1 66 LEU QB . . 3.040 2.468 2.412 2.559 . 0 0 "[ . 1 .]" 1
546 1 66 LEU H 1 66 LEU QD . . 3.130 2.946 2.509 3.112 . 0 0 "[ . 1 .]" 1
547 1 66 LEU H 1 67 THR H . . 3.240 2.563 2.527 2.632 . 0 0 "[ . 1 .]" 1
548 1 66 LEU HA 1 66 LEU QB . . 2.710 2.339 2.296 2.362 . 0 0 "[ . 1 .]" 1
549 1 66 LEU HA 1 66 LEU QD . . 3.200 2.080 1.935 2.219 . 0 0 "[ . 1 .]" 1
550 1 66 LEU HA 1 68 GLY H . . 4.530 3.729 3.685 3.774 . 0 0 "[ . 1 .]" 1
551 1 66 LEU HG 1 67 THR H . . 4.360 4.247 3.982 4.361 0.001 4 0 "[ . 1 .]" 1
552 1 66 LEU QB 1 66 LEU QD . . 2.570 1.927 1.866 1.954 . 0 0 "[ . 1 .]" 1
553 1 66 LEU QB 1 67 THR H . . 3.980 2.583 2.368 2.757 . 0 0 "[ . 1 .]" 1
554 1 66 LEU QB 1 67 THR HA . . 4.690 3.861 3.813 3.897 . 0 0 "[ . 1 .]" 1
555 1 67 THR H 1 67 THR HB . . 3.740 2.760 2.587 3.619 . 0 0 "[ . 1 .]" 1
556 1 67 THR H 1 67 THR MG . . 3.650 3.300 1.950 3.755 0.105 1 0 "[ . 1 .]" 1
557 1 67 THR H 1 68 GLY H . . 3.240 2.631 2.610 2.640 . 0 0 "[ . 1 .]" 1
558 1 67 THR HA 1 69 LEU H . . 4.390 4.081 4.040 4.121 . 0 0 "[ . 1 .]" 1
559 1 67 THR HB 1 68 GLY H . . 4.270 3.425 3.100 4.271 0.001 12 0 "[ . 1 .]" 1
560 1 67 THR MG 1 68 GLY H . . 3.980 3.711 2.416 4.008 0.028 11 0 "[ . 1 .]" 1
561 1 68 GLY H 1 69 LEU H . . 3.280 2.197 2.170 2.216 . 0 0 "[ . 1 .]" 1
562 1 68 GLY H 1 69 LEU QB . . 5.340 3.864 3.805 3.902 . 0 0 "[ . 1 .]" 1
563 1 68 GLY H 1 70 VAL H . . 4.510 3.838 3.800 3.871 . 0 0 "[ . 1 .]" 1
564 1 68 GLY QA 1 69 LEU H . . 3.190 2.894 2.891 2.897 . 0 0 "[ . 1 .]" 1
565 1 69 LEU H 1 69 LEU HB2 . . 3.550 2.369 2.233 2.447 . 0 0 "[ . 1 .]" 1
566 1 69 LEU H 1 69 LEU HB3 . . 3.550 2.859 2.759 3.058 . 0 0 "[ . 1 .]" 1
567 1 69 LEU H 1 69 LEU QB . . 2.810 2.255 2.181 2.290 . 0 0 "[ . 1 .]" 1
568 1 69 LEU H 1 69 LEU QD . . 3.800 3.544 3.387 3.634 . 0 0 "[ . 1 .]" 1
569 1 69 LEU HA 1 69 LEU QD . . 2.950 1.988 1.882 2.101 . 0 0 "[ . 1 .]" 1
570 1 69 LEU HA 1 71 PHE H . . 4.730 4.331 4.284 4.654 . 0 0 "[ . 1 .]" 1
571 1 69 LEU HA 1 72 TYR QB . . 3.880 2.789 2.505 2.910 . 0 0 "[ . 1 .]" 1
572 1 69 LEU HA 1 72 TYR QD . . 4.280 4.095 3.442 4.281 0.001 4 0 "[ . 1 .]" 1
573 1 66 LEU HA 1 69 LEU HB2 . . 2.840 2.872 2.847 2.891 0.051 1 0 "[ . 1 .]" 1
574 1 69 LEU HB2 1 70 VAL H . . 4.190 3.937 3.671 4.039 . 0 0 "[ . 1 .]" 1
575 1 69 LEU HB3 1 70 VAL H . . 4.190 3.365 3.208 3.423 . 0 0 "[ . 1 .]" 1
576 1 69 LEU QB 1 70 VAL H . . 3.400 3.184 3.017 3.239 . 0 0 "[ . 1 .]" 1
577 1 69 LEU QB 1 70 VAL HA . . 4.440 4.081 3.945 4.140 . 0 0 "[ . 1 .]" 1
578 1 69 LEU QB 1 72 TYR QB . . 5.120 4.688 4.471 4.780 . 0 0 "[ . 1 .]" 1
579 1 69 LEU QD 1 72 TYR QB . . 4.100 3.221 2.831 3.424 . 0 0 "[ . 1 .]" 1
580 1 70 VAL H 1 70 VAL HB . . 3.610 2.296 2.274 2.309 . 0 0 "[ . 1 .]" 1
581 1 70 VAL H 1 70 VAL MG2 . . 3.020 2.941 2.893 3.023 0.003 10 0 "[ . 1 .]" 1
582 1 70 VAL H 1 71 PHE QD . . 4.560 3.733 3.282 3.986 . 0 0 "[ . 1 .]" 1
583 1 70 VAL H 1 72 TYR QB . . 5.180 4.536 4.476 4.597 . 0 0 "[ . 1 .]" 1
584 1 70 VAL HA 1 72 TYR H . . 4.710 3.837 3.730 3.882 . 0 0 "[ . 1 .]" 1
585 1 70 VAL HA 1 73 LEU H . . 4.340 4.317 4.198 4.345 0.005 2 0 "[ . 1 .]" 1
586 1 70 VAL HB 1 71 PHE H . . 4.500 2.953 2.725 2.981 . 0 0 "[ . 1 .]" 1
587 1 70 VAL QG 1 71 PHE H . . 3.200 3.061 2.779 3.112 . 0 0 "[ . 1 .]" 1
588 1 70 VAL QG 1 71 PHE HA . . 3.910 3.209 3.027 3.251 . 0 0 "[ . 1 .]" 1
589 1 70 VAL QG 1 71 PHE QB . . 4.490 3.861 3.807 4.009 . 0 0 "[ . 1 .]" 1
590 1 70 VAL QG 1 71 PHE QD . . 3.760 2.652 2.229 2.973 . 0 0 "[ . 1 .]" 1
591 1 71 PHE H 1 71 PHE QB . . 3.840 2.318 2.222 2.379 . 0 0 "[ . 1 .]" 1
592 1 71 PHE H 1 71 PHE QD . . 4.390 2.563 1.995 2.711 . 0 0 "[ . 1 .]" 1
593 1 71 PHE H 1 72 TYR QB . . 4.570 3.932 3.889 4.083 . 0 0 "[ . 1 .]" 1
594 1 71 PHE QB 1 72 TYR H . . 4.110 3.413 3.410 3.416 . 0 0 "[ . 1 .]" 1
595 1 71 PHE QD 1 72 TYR H . . 4.680 4.619 4.366 4.683 0.003 2 0 "[ . 1 .]" 1
596 1 72 TYR H 1 72 TYR HA . . 2.930 2.946 2.937 2.949 0.019 10 0 "[ . 1 .]" 1
597 1 72 TYR H 1 72 TYR HB3 . . 3.400 2.764 2.501 2.853 . 0 0 "[ . 1 .]" 1
598 1 72 TYR H 1 72 TYR QB . . 2.950 2.495 2.370 2.548 . 0 0 "[ . 1 .]" 1
599 1 72 TYR H 1 72 TYR QD . . 4.890 4.327 4.268 4.371 . 0 0 "[ . 1 .]" 1
600 1 72 TYR H 1 73 LEU H . . 3.040 2.338 2.244 2.507 . 0 0 "[ . 1 .]" 1
601 1 72 TYR H 1 72 TYR HB2 . . 3.310 2.858 2.811 2.940 . 0 0 "[ . 1 .]" 1
602 1 72 TYR HB2 1 73 LEU H . . 4.630 3.497 3.358 3.667 . 0 0 "[ . 1 .]" 1
603 1 72 TYR QB 1 73 LEU H . . 3.320 2.118 1.957 2.175 . 0 0 "[ . 1 .]" 1
604 1 72 TYR QD 1 73 LEU H . . 4.760 3.658 3.307 3.857 . 0 0 "[ . 1 .]" 1
605 1 73 LEU H 1 73 LEU HB2 . . 4.030 2.897 2.410 3.333 . 0 0 "[ . 1 .]" 1
606 1 73 LEU H 1 73 LEU HB3 . . 4.030 3.150 2.637 3.795 . 0 0 "[ . 1 .]" 1
607 1 73 LEU H 1 73 LEU QB . . 3.190 2.602 2.371 2.751 . 0 0 "[ . 1 .]" 1
608 1 73 LEU H 1 73 LEU QD . . 4.060 3.854 3.369 4.040 . 0 0 "[ . 1 .]" 1
609 1 73 LEU H 1 74 PRO QD . . 4.790 3.005 2.705 3.236 . 0 0 "[ . 1 .]" 1
610 1 73 LEU HA 1 74 PRO QD . . 3.690 2.022 1.997 2.049 . 0 0 "[ . 1 .]" 1
611 1 73 LEU HB2 1 74 PRO QD . . 4.390 4.269 4.186 4.366 . 0 0 "[ . 1 .]" 1
612 1 73 LEU HB3 1 74 PRO QD . . 4.390 4.257 4.035 4.352 . 0 0 "[ . 1 .]" 1
613 1 73 LEU QD 1 74 PRO QD . . 3.830 3.329 2.879 3.644 . 0 0 "[ . 1 .]" 1
614 1 74 PRO HA 1 75 THR H . . 3.070 2.153 2.152 2.154 . 0 0 "[ . 1 .]" 1
615 1 74 PRO HB2 1 75 THR H . . 4.000 3.539 3.535 3.544 . 0 0 "[ . 1 .]" 1
616 1 74 PRO HB3 1 75 THR H . . 4.000 4.004 4.001 4.007 0.007 1 0 "[ . 1 .]" 1
617 1 74 PRO QB 1 75 THR H . . 3.320 3.317 3.313 3.320 0.000 4 0 "[ . 1 .]" 1
618 1 74 PRO QB 1 76 ASP H . . 3.580 2.882 2.521 3.397 . 0 0 "[ . 1 .]" 1
619 1 75 THR H 1 75 THR HB . . 3.870 2.843 2.537 3.738 . 0 0 "[ . 1 .]" 1
620 1 75 THR H 1 76 ASP H . . 3.380 2.527 2.018 2.957 . 0 0 "[ . 1 .]" 1
621 1 75 THR HA 1 75 THR MG . . 3.330 2.325 2.245 2.423 . 0 0 "[ . 1 .]" 1
622 1 75 THR HA 1 76 ASP H . . 3.490 3.286 2.760 3.447 . 0 0 "[ . 1 .]" 1
623 1 75 THR MG 1 76 ASP H . . 4.040 3.932 3.770 4.077 0.037 12 0 "[ . 1 .]" 1
624 1 75 THR MG 1 76 ASP QB . . 5.100 3.470 2.726 4.730 . 0 0 "[ . 1 .]" 1
625 1 76 ASP H 1 76 ASP QB . . 3.310 2.979 2.969 2.997 . 0 0 "[ . 1 .]" 1
626 1 76 ASP HA 1 77 SER H . . 2.880 2.618 2.415 2.708 . 0 0 "[ . 1 .]" 1
627 1 76 ASP HA 1 78 GLY H . . 4.160 4.129 3.969 4.173 0.013 1 0 "[ . 1 .]" 1
628 1 76 ASP HA 1 79 GLU H . . 4.570 4.497 4.399 4.611 0.041 13 0 "[ . 1 .]" 1
629 1 76 ASP QB 1 77 SER H . . 4.000 2.594 2.434 2.850 . 0 0 "[ . 1 .]" 1
630 1 76 ASP QB 1 79 GLU H . . 3.720 2.279 1.912 2.483 . 0 0 "[ . 1 .]" 1
631 1 76 ASP QB 1 79 GLU QB . . 3.950 2.091 1.993 2.344 . 0 0 "[ . 1 .]" 1
632 1 76 ASP QB 1 79 GLU QG . . 4.360 1.905 1.849 2.035 . 0 0 "[ . 1 .]" 1
633 1 77 SER H 1 77 SER QB . . 2.760 2.375 2.066 2.736 . 0 0 "[ . 1 .]" 1
634 1 77 SER H 1 78 GLY H . . 3.550 2.631 2.602 2.663 . 0 0 "[ . 1 .]" 1
635 1 77 SER HA 1 77 SER QB . . 2.660 2.259 2.163 2.536 . 0 0 "[ . 1 .]" 1
636 1 77 SER QB 1 78 GLY H . . 3.890 3.433 3.014 3.717 . 0 0 "[ . 1 .]" 1
637 1 78 GLY QA 1 79 GLU H . . 2.990 2.756 2.684 2.805 . 0 0 "[ . 1 .]" 1
638 1 78 GLY QA 1 80 LYS QB . . 4.940 4.906 4.717 4.950 0.010 8 0 "[ . 1 .]" 1
639 1 78 GLY QA 1 81 MET H . . 4.240 3.052 2.906 3.222 . 0 0 "[ . 1 .]" 1
640 1 79 GLU H 1 79 GLU HA . . 2.930 2.852 2.769 2.897 . 0 0 "[ . 1 .]" 1
641 1 79 GLU H 1 79 GLU QB . . 2.750 2.116 2.068 2.163 . 0 0 "[ . 1 .]" 1
642 1 79 GLU H 1 79 GLU QG . . 3.150 3.138 3.105 3.162 0.012 10 0 "[ . 1 .]" 1
643 1 79 GLU HA 1 79 GLU QB . . 2.790 2.515 2.499 2.534 . 0 0 "[ . 1 .]" 1
644 1 80 LYS H 1 80 LYS QB . . 3.080 2.152 2.092 2.313 . 0 0 "[ . 1 .]" 1
645 1 80 LYS H 1 80 LYS QE . . 5.440 4.432 3.526 5.172 . 0 0 "[ . 1 .]" 1
646 1 80 LYS H 1 80 LYS QG . . 3.280 3.070 2.599 3.281 0.001 3 0 "[ . 1 .]" 1
647 1 80 LYS H 1 81 MET H . . 3.190 2.409 2.372 2.701 . 0 0 "[ . 1 .]" 1
648 1 80 LYS QB 1 81 MET H . . 3.650 2.930 2.831 3.051 . 0 0 "[ . 1 .]" 1
649 1 80 LYS QB 1 81 MET QG . . 4.260 3.365 3.281 3.568 . 0 0 "[ . 1 .]" 1
650 1 80 LYS QG 1 81 MET H . . 4.540 4.536 4.377 4.562 0.022 2 0 "[ . 1 .]" 1
651 1 81 MET H 1 81 MET QB . . 2.980 2.581 2.560 2.627 . 0 0 "[ . 1 .]" 1
652 1 81 MET H 1 81 MET ME . . 3.650 3.589 3.505 3.660 0.010 10 0 "[ . 1 .]" 1
653 1 81 MET H 1 81 MET QG . . 3.500 1.961 1.919 2.014 . 0 0 "[ . 1 .]" 1
654 1 81 MET H 1 82 THR H . . 3.100 2.656 2.467 2.729 . 0 0 "[ . 1 .]" 1
655 1 81 MET HA 1 84 SER H . . 3.910 3.180 3.082 3.374 . 0 0 "[ . 1 .]" 1
656 1 81 MET QB 1 82 THR H . . 3.060 2.312 2.096 2.583 . 0 0 "[ . 1 .]" 1
657 1 81 MET QB 1 82 THR HB . . 4.130 3.971 3.715 4.145 0.015 10 0 "[ . 1 .]" 1
658 1 81 MET ME 1 81 MET QG . . 3.260 2.069 2.007 2.134 . 0 0 "[ . 1 .]" 1
659 1 81 MET QG 1 82 THR H . . 3.740 3.741 3.695 3.754 0.014 2 0 "[ . 1 .]" 1
660 1 82 THR H 1 82 THR HB . . 2.920 2.374 2.289 2.456 . 0 0 "[ . 1 .]" 1
661 1 82 THR H 1 82 THR MG . . 2.570 2.448 2.326 2.578 0.008 10 0 "[ . 1 .]" 1
662 1 82 THR HA 1 83 GLU H . . 3.570 3.480 3.453 3.498 . 0 0 "[ . 1 .]" 1
663 1 82 THR MG 1 83 GLU H . . 3.720 2.091 1.943 2.294 . 0 0 "[ . 1 .]" 1
664 1 83 GLU H 1 83 GLU HA . . 2.920 2.890 2.871 2.905 . 0 0 "[ . 1 .]" 1
665 1 83 GLU H 1 83 GLU QB . . 3.140 2.316 2.228 2.482 . 0 0 "[ . 1 .]" 1
666 1 83 GLU H 1 83 GLU QG . . 3.940 3.280 2.399 3.950 0.010 10 0 "[ . 1 .]" 1
667 1 83 GLU HA 1 83 GLU QB . . 2.580 2.428 2.343 2.476 . 0 0 "[ . 1 .]" 1
668 1 83 GLU HA 1 83 GLU QG . . 2.790 2.449 2.297 2.748 . 0 0 "[ . 1 .]" 1
669 1 83 GLU HA 1 86 SER QB . . 3.340 3.003 2.436 3.342 0.002 10 0 "[ . 1 .]" 1
670 1 83 GLU QB 1 84 SER H . . 3.720 2.880 2.751 3.018 . 0 0 "[ . 1 .]" 1
671 1 83 GLU QB 1 84 SER HA . . 4.150 3.995 3.926 4.041 . 0 0 "[ . 1 .]" 1
672 1 83 GLU QG 1 84 SER H . . 4.270 4.231 4.120 4.275 0.005 10 0 "[ . 1 .]" 1
673 1 84 SER H 1 84 SER QB . . 3.100 2.193 2.058 2.406 . 0 0 "[ . 1 .]" 1
674 1 85 LYS H 1 85 LYS QB . . 3.430 2.279 2.114 2.611 . 0 0 "[ . 1 .]" 1
675 1 85 LYS H 1 85 LYS QG . . 3.960 3.338 2.055 3.961 0.001 7 0 "[ . 1 .]" 1
676 1 85 LYS QB 1 86 SER H . . 3.540 2.647 2.473 2.892 . 0 0 "[ . 1 .]" 1
677 1 85 LYS QB 1 86 SER HA . . 4.760 4.105 3.816 4.523 . 0 0 "[ . 1 .]" 1
678 1 85 LYS QB 1 87 VAL H . . 4.810 4.436 4.285 4.596 . 0 0 "[ . 1 .]" 1
679 1 85 LYS QG 1 86 SER H . . 4.210 3.659 2.639 4.211 0.001 3 0 "[ . 1 .]" 1
680 1 86 SER H 1 86 SER QB . . 3.260 2.186 2.051 2.489 . 0 0 "[ . 1 .]" 1
681 1 87 VAL H 1 87 VAL QG . . 4.060 2.286 2.098 2.635 . 0 0 "[ . 1 .]" 1
682 1 87 VAL H 1 88 LEU H . . 3.690 2.469 2.295 2.589 . 0 0 "[ . 1 .]" 1
683 1 87 VAL H 1 88 LEU QB . . 4.570 4.490 4.056 4.576 0.006 12 0 "[ . 1 .]" 1
684 1 88 LEU H 1 88 LEU QB . . 3.130 2.362 2.119 2.563 . 0 0 "[ . 1 .]" 1
685 1 88 LEU H 1 88 LEU QD . . 3.450 3.219 2.913 3.447 . 0 0 "[ . 1 .]" 1
686 1 88 LEU HA 1 88 LEU QD . . 3.500 2.159 1.970 2.374 . 0 0 "[ . 1 .]" 1
687 1 88 LEU QD 1 89 LYS H . . 4.490 4.139 4.050 4.219 . 0 0 "[ . 1 .]" 1
688 1 89 LYS H 1 89 LYS QE . . 5.500 4.559 3.071 5.226 . 0 0 "[ . 1 .]" 1
689 1 89 LYS H 1 90 SER H . . 3.680 2.413 2.328 2.470 . 0 0 "[ . 1 .]" 1
690 1 89 LYS QB 1 89 LYS QE . . 3.660 2.550 2.097 3.130 . 0 0 "[ . 1 .]" 1
691 1 89 LYS QB 1 90 SER H . . 4.130 2.776 2.651 2.945 . 0 0 "[ . 1 .]" 1
692 1 89 LYS QB 1 90 SER HA . . 5.150 3.986 3.841 4.359 . 0 0 "[ . 1 .]" 1
693 1 90 SER H 1 91 LEU H . . 3.650 2.366 2.294 2.392 . 0 0 "[ . 1 .]" 1
694 1 90 SER H 1 92 THR H . . 4.510 4.342 4.208 4.391 . 0 0 "[ . 1 .]" 1
695 1 91 LEU H 1 91 LEU HB2 . . 3.530 2.986 2.869 3.029 . 0 0 "[ . 1 .]" 1
696 1 91 LEU H 1 91 LEU HB3 . . 3.530 2.151 2.127 2.226 . 0 0 "[ . 1 .]" 1
697 1 91 LEU H 1 91 LEU QB . . 2.990 2.104 2.085 2.154 . 0 0 "[ . 1 .]" 1
698 1 91 LEU H 1 91 LEU QD . . 3.750 3.692 3.527 3.742 . 0 0 "[ . 1 .]" 1
699 1 91 LEU H 1 92 THR MG . . 4.140 4.072 4.023 4.140 0.000 3 0 "[ . 1 .]" 1
700 1 91 LEU HA 1 91 LEU QD . . 3.110 2.494 2.248 3.150 0.040 2 0 "[ . 1 .]" 1
701 1 91 LEU HA 1 92 THR MG . . 5.020 5.046 5.029 5.066 0.046 2 0 "[ . 1 .]" 1
702 1 91 LEU HB2 1 92 THR H . . 4.090 4.010 3.987 4.033 . 0 0 "[ . 1 .]" 1
703 1 91 LEU HB3 1 92 THR H . . 4.090 2.719 2.694 2.765 . 0 0 "[ . 1 .]" 1
704 1 91 LEU QB 1 92 THR H . . 3.370 2.677 2.654 2.720 . 0 0 "[ . 1 .]" 1
705 1 91 LEU QB 1 92 THR HB . . 5.340 4.440 4.348 4.492 . 0 0 "[ . 1 .]" 1
706 1 91 LEU QD 1 92 THR H . . 3.490 3.288 2.485 3.501 0.011 7 0 "[ . 1 .]" 1
707 1 91 LEU QD 1 92 THR HA . . 4.260 3.256 2.684 3.530 . 0 0 "[ . 1 .]" 1
708 1 92 THR H 1 92 THR HB . . 3.150 2.325 2.311 2.344 . 0 0 "[ . 1 .]" 1
709 1 92 THR H 1 92 THR MG . . 3.330 2.531 2.457 2.558 . 0 0 "[ . 1 .]" 1
710 1 92 THR H 1 93 GLU H . . 3.620 2.731 2.680 2.746 . 0 0 "[ . 1 .]" 1
711 1 92 THR H 1 93 GLU QB . . 4.640 4.392 4.347 4.444 . 0 0 "[ . 1 .]" 1
712 1 92 THR HA 1 95 LEU H . . 3.970 3.051 2.932 3.325 . 0 0 "[ . 1 .]" 1
713 1 92 THR HA 1 95 LEU QB . . 4.150 2.618 2.253 3.156 . 0 0 "[ . 1 .]" 1
714 1 92 THR HA 1 96 LYS H . . 4.330 4.047 3.790 4.334 0.004 11 0 "[ . 1 .]" 1
715 1 92 THR MG 1 93 GLU H . . 4.000 2.150 2.079 2.351 . 0 0 "[ . 1 .]" 1
716 1 92 THR MG 1 93 GLU QB . . 4.080 3.372 3.286 3.521 . 0 0 "[ . 1 .]" 1
717 1 92 THR MG 1 94 LYS H . . 4.510 4.307 4.229 4.510 0.000 11 0 "[ . 1 .]" 1
718 1 93 GLU H 1 93 GLU QB . . 3.170 2.053 2.041 2.080 . 0 0 "[ . 1 .]" 1
719 1 93 GLU H 1 93 GLU QG . . 3.610 3.509 3.219 3.615 0.005 11 0 "[ . 1 .]" 1
720 1 93 GLU H 1 94 LYS H . . 3.780 2.741 2.710 2.826 . 0 0 "[ . 1 .]" 1
721 1 93 GLU H 1 95 LEU H . . 4.210 4.085 3.923 4.223 0.013 8 0 "[ . 1 .]" 1
722 1 93 GLU QB 1 94 LYS H . . 3.860 2.845 2.623 2.951 . 0 0 "[ . 1 .]" 1
723 1 94 LYS H 1 94 LYS QB . . 3.550 2.238 2.038 2.619 . 0 0 "[ . 1 .]" 1
724 1 94 LYS H 1 96 LYS H . . 4.590 4.097 3.877 4.362 . 0 0 "[ . 1 .]" 1
725 1 94 LYS HA 1 97 LYS H . . 4.350 3.730 3.499 3.897 . 0 0 "[ . 1 .]" 1
726 1 95 LEU H 1 95 LEU HB2 . . 3.570 2.509 2.118 2.817 . 0 0 "[ . 1 .]" 1
727 1 95 LEU H 1 95 LEU HB3 . . 3.570 2.642 2.328 3.174 . 0 0 "[ . 1 .]" 1
728 1 95 LEU H 1 95 LEU QB . . 3.080 2.223 2.088 2.275 . 0 0 "[ . 1 .]" 1
729 1 95 LEU H 1 95 LEU QD . . 4.240 3.688 3.494 3.782 . 0 0 "[ . 1 .]" 1
730 1 95 LEU HA 1 98 ILE H . . 3.590 3.618 3.596 3.633 0.043 11 0 "[ . 1 .]" 1
731 1 95 LEU QB 1 96 LYS H . . 3.510 2.567 2.362 2.838 . 0 0 "[ . 1 .]" 1
732 1 95 LEU QB 1 96 LYS HA . . 4.680 4.018 3.768 4.232 . 0 0 "[ . 1 .]" 1
733 1 96 LYS H 1 96 LYS QB . . 3.190 2.300 2.187 2.406 . 0 0 "[ . 1 .]" 1
734 1 96 LYS H 1 97 LYS H . . 3.870 2.616 2.512 2.684 . 0 0 "[ . 1 .]" 1
735 1 96 LYS HA 1 99 VAL H . . 4.500 4.368 4.323 4.498 . 0 0 "[ . 1 .]" 1
736 1 96 LYS QB 1 97 LYS H . . 3.550 2.866 2.723 2.964 . 0 0 "[ . 1 .]" 1
737 1 97 LYS H 1 97 LYS QB . . 3.660 2.057 2.050 2.080 . 0 0 "[ . 1 .]" 1
738 1 97 LYS H 1 97 LYS QG . . 3.330 3.429 3.389 3.444 0.114 8 0 "[ . 1 .]" 1
739 1 97 LYS H 1 98 ILE H . . 3.710 2.540 2.467 2.576 . 0 0 "[ . 1 .]" 1
740 1 97 LYS H 1 99 VAL H . . 4.420 4.484 4.474 4.499 0.079 5 0 "[ . 1 .]" 1
741 1 97 LYS HA 1 100 GLU QB . . 4.030 4.004 3.944 4.093 0.063 9 0 "[ . 1 .]" 1
742 1 97 LYS HA 1 99 VAL H . . 4.400 3.384 3.367 3.405 . 0 0 "[ . 1 .]" 1
743 1 98 ILE H 1 98 ILE HB . . 3.700 2.325 2.290 2.360 . 0 0 "[ . 1 .]" 1
744 1 98 ILE H 1 98 ILE MD . . 3.820 3.859 3.837 3.894 0.074 7 0 "[ . 1 .]" 1
745 1 98 ILE H 1 98 ILE QG . . 3.950 4.039 4.003 4.061 0.111 8 0 "[ . 1 .]" 1
746 1 98 ILE H 1 98 ILE MG . . 3.780 2.532 2.472 2.594 . 0 0 "[ . 1 .]" 1
747 1 98 ILE HA 1 100 GLU H . . 4.460 3.493 3.486 3.502 . 0 0 "[ . 1 .]" 1
748 1 98 ILE HA 1 101 LEU H . . 4.580 3.169 3.160 3.185 . 0 0 "[ . 1 .]" 1
749 1 98 ILE HA 1 98 ILE MD . . 3.430 2.631 2.491 2.963 . 0 0 "[ . 1 .]" 1
750 1 98 ILE HA 1 98 ILE MG . . 3.130 3.180 3.175 3.184 0.054 10 0 "[ . 1 .]" 1
751 1 98 ILE HB 1 98 ILE MD . . 3.040 2.128 2.028 2.255 . 0 0 "[ . 1 .]" 1
752 1 98 ILE HB 1 99 VAL H . . 4.700 3.963 3.933 3.992 . 0 0 "[ . 1 .]" 1
753 1 98 ILE QG 1 100 GLU H . . 5.500 4.643 4.621 4.665 . 0 0 "[ . 1 .]" 1
754 1 98 ILE QG 1 101 LEU H . . 3.470 3.590 3.576 3.621 0.151 9 0 "[ . 1 .]" 1
755 1 97 LYS H 1 98 ILE MG . . 5.080 4.416 4.338 4.505 . 0 0 "[ . 1 .]" 1
756 1 98 ILE QG 1 98 ILE MG . . 2.930 2.039 1.989 2.066 . 0 0 "[ . 1 .]" 1
757 1 99 VAL H 1 100 GLU H . . 3.570 2.691 2.688 2.695 . 0 0 "[ . 1 .]" 1
758 1 99 VAL H 1 99 VAL HB . . 3.330 2.488 2.221 3.599 0.269 12 0 "[ . 1 .]" 1
759 1 99 VAL H 1 99 VAL QG . . 2.810 2.320 1.946 2.640 . 0 0 "[ . 1 .]" 1
760 1 99 VAL HA 1 103 PRO QD . . 3.500 3.609 3.604 3.624 0.124 5 0 "[ . 1 .]" 1
761 1 99 VAL QG 1 100 GLU H . . 3.940 2.567 2.210 3.489 . 0 0 "[ . 1 .]" 1
762 1 100 GLU H 1 100 GLU QB . . 3.340 2.163 2.111 2.240 . 0 0 "[ . 1 .]" 1
763 1 100 GLU H 1 100 GLU QG . . 4.000 3.666 3.411 3.947 . 0 0 "[ . 1 .]" 1
764 1 100 GLU H 1 101 LEU H . . 3.290 2.326 2.319 2.338 . 0 0 "[ . 1 .]" 1
765 1 100 GLU H 1 101 LEU QB . . 5.340 4.030 4.025 4.045 . 0 0 "[ . 1 .]" 1
766 1 100 GLU HA 1 100 GLU QG . . 3.450 2.644 2.202 3.143 . 0 0 "[ . 1 .]" 1
767 1 100 GLU QG 1 101 LEU H . . 4.560 3.733 3.035 4.582 0.022 14 0 "[ . 1 .]" 1
768 1 101 LEU H 1 101 LEU QB . . 3.000 2.236 2.235 2.238 . 0 0 "[ . 1 .]" 1
769 1 101 LEU H 1 101 LEU QD . . 3.090 3.140 3.134 3.154 0.064 9 0 "[ . 1 .]" 1
770 1 101 LEU H 1 102 ILE H . . 3.620 2.334 2.328 2.337 . 0 0 "[ . 1 .]" 1
771 1 101 LEU H 1 103 PRO QD . . 4.780 3.716 3.671 3.755 . 0 0 "[ . 1 .]" 1
772 1 98 ILE HA 1 101 LEU HB3 . . 3.970 4.037 4.031 4.055 0.085 9 0 "[ . 1 .]" 1
773 1 101 LEU QB 1 102 ILE H . . 4.210 2.397 2.393 2.403 . 0 0 "[ . 1 .]" 1
774 1 101 LEU QD 1 102 ILE H . . 4.620 3.912 3.822 3.934 . 0 0 "[ . 1 .]" 1
775 1 102 ILE H 1 102 ILE HB . . 3.900 2.871 2.866 2.876 . 0 0 "[ . 1 .]" 1
776 1 102 ILE H 1 102 ILE MD . . 4.620 2.727 2.691 2.810 . 0 0 "[ . 1 .]" 1
777 1 102 ILE H 1 102 ILE QG . . 3.770 3.191 3.178 3.201 . 0 0 "[ . 1 .]" 1
778 1 102 ILE H 1 102 ILE MG . . 4.310 3.946 3.942 3.950 . 0 0 "[ . 1 .]" 1
779 1 102 ILE HA 1 102 ILE MG . . 3.380 2.318 2.207 2.381 . 0 0 "[ . 1 .]" 1
780 1 102 ILE HA 1 104 SER H . . 4.810 3.126 3.117 3.133 . 0 0 "[ . 1 .]" 1
781 1 102 ILE HB 1 102 ILE MD . . 3.410 2.141 2.066 2.177 . 0 0 "[ . 1 .]" 1
782 1 102 ILE HB 1 104 SER H . . 4.070 4.180 4.159 4.196 0.126 11 0 "[ . 1 .]" 1
783 1 102 ILE MG 1 104 SER H . . 4.080 2.267 2.131 2.475 . 0 0 "[ . 1 .]" 1
784 1 103 PRO HA 1 104 SER H . . 3.520 3.345 3.336 3.351 . 0 0 "[ . 1 .]" 1
785 1 103 PRO HB2 1 104 SER H . . 4.170 3.881 3.871 3.898 . 0 0 "[ . 1 .]" 1
786 1 104 SER H 1 104 SER QB . . 3.020 2.205 2.068 2.850 . 0 0 "[ . 1 .]" 1
787 1 104 SER QB 1 105 THR H . . 3.770 3.038 2.700 3.635 . 0 0 "[ . 1 .]" 1
788 1 105 THR H 1 105 THR MG . . 3.780 2.848 2.408 3.780 0.000 11 0 "[ . 1 .]" 1
789 1 105 THR H 1 106 SER H . . 2.700 2.290 2.260 2.426 . 0 0 "[ . 1 .]" 1
790 1 105 THR HA 1 106 SER H . . 3.570 3.393 3.384 3.397 . 0 0 "[ . 1 .]" 1
791 1 105 THR MG 1 106 SER H . . 4.220 4.202 4.054 4.229 0.009 5 0 "[ . 1 .]" 1
792 1 106 SER H 1 106 SER QB . . 2.960 2.223 2.056 2.426 . 0 0 "[ . 1 .]" 1
793 1 106 SER QB 1 107 SER H . . 3.510 3.009 2.884 3.296 . 0 0 "[ . 1 .]" 1
794 1 107 SER H 1 107 SER QB . . 2.950 2.254 2.127 2.800 . 0 0 "[ . 1 .]" 1
795 1 107 SER H 1 108 ALA MB . . 4.300 4.275 4.254 4.299 . 0 0 "[ . 1 .]" 1
796 1 107 SER HA 1 109 VAL H . . 4.250 3.799 3.721 4.105 . 0 0 "[ . 1 .]" 1
797 1 107 SER QB 1 108 ALA H . . 3.590 2.992 2.542 3.099 . 0 0 "[ . 1 .]" 1
798 1 108 ALA H 1 108 ALA MB . . 2.890 2.132 2.105 2.170 . 0 0 "[ . 1 .]" 1
799 1 108 ALA H 1 109 VAL H . . 3.600 2.385 2.342 2.396 . 0 0 "[ . 1 .]" 1
800 1 108 ALA H 1 109 VAL HB . . 4.470 4.446 4.390 4.462 . 0 0 "[ . 1 .]" 1
801 1 108 ALA H 1 109 VAL MG2 . . 4.500 4.195 4.146 4.275 . 0 0 "[ . 1 .]" 1
802 1 108 ALA MB 1 109 VAL H . . 3.680 3.114 3.097 3.131 . 0 0 "[ . 1 .]" 1
803 1 109 VAL H 1 109 VAL HB . . 3.500 2.288 2.280 2.291 . 0 0 "[ . 1 .]" 1
804 1 109 VAL H 1 109 VAL MG2 . . 3.100 2.613 2.569 2.712 . 0 0 "[ . 1 .]" 1
805 1 109 VAL H 1 111 LEU H . . 4.480 3.876 3.874 3.879 . 0 0 "[ . 1 .]" 1
806 1 109 VAL HA 1 111 LEU H . . 4.700 4.010 3.994 4.016 . 0 0 "[ . 1 .]" 1
807 1 106 SER HA 1 109 VAL HB . . 4.180 3.768 2.396 4.159 . 0 0 "[ . 1 .]" 1
808 1 111 LEU H 1 111 LEU HB2 . . 3.800 2.262 2.114 2.322 . 0 0 "[ . 1 .]" 1
809 1 111 LEU H 1 111 LEU HB3 . . 3.800 2.929 2.835 3.260 . 0 0 "[ . 1 .]" 1
810 1 111 LEU H 1 111 LEU QB . . 3.300 2.188 2.089 2.222 . 0 0 "[ . 1 .]" 1
811 1 111 LEU H 1 111 LEU QD . . 3.970 3.530 3.019 3.780 . 0 0 "[ . 1 .]" 1
812 1 111 LEU H 1 112 ILE H . . 4.020 2.583 2.406 2.629 . 0 0 "[ . 1 .]" 1
813 1 111 LEU HA 1 111 LEU QB . . 2.620 2.494 2.475 2.530 . 0 0 "[ . 1 .]" 1
814 1 111 LEU HA 1 111 LEU QD . . 3.580 2.066 1.892 2.564 . 0 0 "[ . 1 .]" 1
815 1 111 LEU HB2 1 112 ILE H . . 4.040 3.247 2.803 3.507 . 0 0 "[ . 1 .]" 1
816 1 111 LEU HB3 1 112 ILE H . . 4.040 2.250 2.110 2.578 . 0 0 "[ . 1 .]" 1
817 1 111 LEU QB 1 112 ILE H . . 3.420 2.206 2.087 2.516 . 0 0 "[ . 1 .]" 1
818 1 111 LEU QB 1 112 ILE HA . . 4.910 3.853 3.733 3.967 . 0 0 "[ . 1 .]" 1
819 1 111 LEU QB 1 113 GLY H . . 5.340 4.159 4.101 4.372 . 0 0 "[ . 1 .]" 1
820 1 111 LEU QD 1 114 LYS H . . 5.270 4.682 4.565 4.942 . 0 0 "[ . 1 .]" 1
821 1 112 ILE H 1 112 ILE HB . . 3.680 2.790 2.702 3.616 . 0 0 "[ . 1 .]" 1
822 1 112 ILE H 1 112 ILE QG . . 4.080 3.874 2.458 3.981 . 0 0 "[ . 1 .]" 1
823 1 112 ILE H 1 112 ILE MG . . 3.450 2.039 1.933 2.109 . 0 0 "[ . 1 .]" 1
824 1 112 ILE H 1 113 GLY H . . 3.920 2.404 2.270 2.442 . 0 0 "[ . 1 .]" 1
825 1 112 ILE H 1 114 LYS H . . 4.650 4.338 4.243 4.385 . 0 0 "[ . 1 .]" 1
826 1 112 ILE HA 1 114 LYS QB . . 5.500 4.012 3.941 4.113 . 0 0 "[ . 1 .]" 1
827 1 112 ILE HB 1 112 ILE MD . . 3.320 2.233 2.027 2.545 . 0 0 "[ . 1 .]" 1
828 1 112 ILE HB 1 113 GLY H . . 4.270 4.170 4.165 4.215 . 0 0 "[ . 1 .]" 1
829 1 112 ILE QG 1 113 GLY H . . 4.310 3.788 2.339 3.913 . 0 0 "[ . 1 .]" 1
830 1 112 ILE QG 1 114 LYS H . . 5.390 4.539 4.368 4.573 . 0 0 "[ . 1 .]" 1
831 1 112 ILE QG 1 112 ILE MG . . 2.560 2.133 1.942 2.418 . 0 0 "[ . 1 .]" 1
832 1 112 ILE MG 1 113 GLY H . . 4.180 2.254 2.130 3.722 . 0 0 "[ . 1 .]" 1
833 1 112 ILE MG 1 114 LYS H . . 5.500 4.431 4.360 5.138 . 0 0 "[ . 1 .]" 1
834 1 113 GLY H 1 114 LYS H . . 4.120 2.807 2.802 2.822 . 0 0 "[ . 1 .]" 1
835 1 113 GLY H 1 114 LYS QB . . 4.780 4.551 4.470 4.782 0.002 9 0 "[ . 1 .]" 1
836 1 114 LYS H 1 114 LYS QB . . 3.690 2.222 2.084 2.330 . 0 0 "[ . 1 .]" 1
837 1 115 TYR H 1 115 TYR QB . . 3.850 2.561 2.495 2.660 . 0 0 "[ . 1 .]" 1
838 1 115 TYR H 1 115 TYR QD . . 4.210 2.627 2.024 3.085 . 0 0 "[ . 1 .]" 1
839 1 115 TYR HA 1 115 TYR QD . . 4.330 2.664 2.214 3.097 . 0 0 "[ . 1 .]" 1
840 1 116 MET ME 1 117 LEU H . . 4.440 4.450 4.448 4.453 0.013 1 0 "[ . 1 .]" 1
841 1 116 MET ME 1 116 MET QG . . 3.420 2.214 2.126 2.252 . 0 0 "[ . 1 .]" 1
842 1 117 LEU H 1 117 LEU QB . . 3.480 2.081 2.020 2.357 . 0 0 "[ . 1 .]" 1
843 1 117 LEU H 1 117 LEU QD . . 4.590 3.258 2.456 3.686 . 0 0 "[ . 1 .]" 1
844 1 117 LEU HA 1 121 GLU H . . 4.160 4.154 4.077 4.161 0.001 12 0 "[ . 1 .]" 1
845 1 117 LEU QB 1 121 GLU H . . 5.300 4.826 4.449 5.162 . 0 0 "[ . 1 .]" 1
846 1 117 LEU QD 1 121 GLU H . . 4.880 4.115 3.437 4.730 . 0 0 "[ . 1 .]" 1
847 1 118 PHE H 1 118 PHE QB . . 3.570 2.070 2.048 2.130 . 0 0 "[ . 1 .]" 1
848 1 118 PHE H 1 118 PHE QD . . 4.250 3.802 3.667 4.052 . 0 0 "[ . 1 .]" 1
849 1 118 PHE H 1 119 THR H . . 4.630 2.938 2.736 3.025 . 0 0 "[ . 1 .]" 1
850 1 118 PHE HA 1 118 PHE QD . . 4.290 2.723 2.302 2.922 . 0 0 "[ . 1 .]" 1
851 1 115 TYR HA 1 118 PHE QB . . 3.800 1.986 1.953 2.035 . 0 0 "[ . 1 .]" 1
852 1 118 PHE QB 1 119 THR H . . 4.140 2.295 2.091 2.630 . 0 0 "[ . 1 .]" 1
853 1 119 THR H 1 119 THR HB . . 3.870 2.825 2.439 3.617 . 0 0 "[ . 1 .]" 1
854 1 119 THR H 1 119 THR MG . . 4.050 3.464 2.087 3.789 . 0 0 "[ . 1 .]" 1
855 1 119 THR H 1 120 LYS H . . 3.230 2.621 2.419 2.876 . 0 0 "[ . 1 .]" 1
856 1 119 THR H 1 122 PHE QB . . 5.130 4.755 4.392 5.084 . 0 0 "[ . 1 .]" 1
857 1 119 THR HA 1 122 PHE H . . 4.800 3.104 3.004 3.423 . 0 0 "[ . 1 .]" 1
858 1 119 THR MG 1 120 LYS H . . 4.110 3.669 3.303 3.971 . 0 0 "[ . 1 .]" 1
859 1 119 THR MG 1 121 GLU H . . 5.500 4.891 4.554 5.398 . 0 0 "[ . 1 .]" 1
860 1 119 THR MG 1 122 PHE H . . 5.050 4.244 3.929 4.991 . 0 0 "[ . 1 .]" 1
861 1 119 THR MG 1 122 PHE QB . . 4.750 3.168 2.713 4.126 . 0 0 "[ . 1 .]" 1
862 1 120 LYS H 1 122 PHE H . . 4.250 4.013 3.860 4.225 . 0 0 "[ . 1 .]" 1
863 1 120 LYS HA 1 123 VAL H . . 4.560 3.623 3.482 3.883 . 0 0 "[ . 1 .]" 1
864 1 120 LYS QB 1 121 GLU H . . 3.740 2.844 2.519 2.992 . 0 0 "[ . 1 .]" 1
865 1 120 LYS QB 1 121 GLU QG . . 4.790 4.707 4.497 4.791 0.001 8 0 "[ . 1 .]" 1
866 1 121 GLU H 1 121 GLU HB2 . . 3.690 2.293 2.103 2.328 . 0 0 "[ . 1 .]" 1
867 1 121 GLU H 1 121 GLU HB3 . . 3.690 2.918 2.849 3.112 . 0 0 "[ . 1 .]" 1
868 1 121 GLU H 1 121 GLU QB . . 3.190 2.212 2.072 2.237 . 0 0 "[ . 1 .]" 1
869 1 121 GLU H 1 121 GLU QG . . 3.890 3.861 3.625 3.892 0.002 11 0 "[ . 1 .]" 1
870 1 121 GLU H 1 122 PHE H . . 4.100 2.354 2.304 2.614 . 0 0 "[ . 1 .]" 1
871 1 121 GLU H 1 123 VAL QG . . 4.280 4.173 3.814 4.280 . 10 0 "[ . 1 .]" 1
872 1 121 GLU HA 1 121 GLU QG . . 3.490 2.225 2.134 2.283 . 0 0 "[ . 1 .]" 1
873 1 121 GLU HA 1 124 GLU H . . 4.730 3.933 3.694 4.140 . 0 0 "[ . 1 .]" 1
874 1 121 GLU HA 1 124 GLU QB . . 4.300 3.736 2.753 4.238 . 0 0 "[ . 1 .]" 1
875 1 121 GLU QB 1 122 PHE H . . 4.100 2.982 2.643 3.103 . 0 0 "[ . 1 .]" 1
876 1 121 GLU QB 1 122 PHE HA . . 4.280 3.967 3.743 4.029 . 0 0 "[ . 1 .]" 1
877 1 121 GLU QG 1 122 PHE HA . . 5.030 4.862 4.715 5.012 . 0 0 "[ . 1 .]" 1
878 1 122 PHE H 1 123 VAL H . . 4.270 2.383 2.301 2.667 . 0 0 "[ . 1 .]" 1
879 1 122 PHE H 1 123 VAL QG . . 4.510 3.615 3.394 3.925 . 0 0 "[ . 1 .]" 1
880 1 122 PHE HA 1 122 PHE QD . . 3.900 3.028 2.942 3.104 . 0 0 "[ . 1 .]" 1
881 1 122 PHE QB 1 123 VAL H . . 4.240 2.809 2.429 3.020 . 0 0 "[ . 1 .]" 1
882 1 122 PHE QB 1 123 VAL HB . . 5.190 4.808 4.078 5.191 0.001 8 0 "[ . 1 .]" 1
883 1 122 PHE QB 1 123 VAL QG . . 4.140 3.712 3.412 4.141 0.001 2 0 "[ . 1 .]" 1
884 1 122 PHE QD 1 123 VAL H . . 4.500 4.087 3.615 4.498 . 0 0 "[ . 1 .]" 1
885 1 123 VAL H 1 123 VAL HB . . 3.880 2.549 2.455 2.605 . 0 0 "[ . 1 .]" 1
886 1 123 VAL H 1 123 VAL MG1 . . 4.070 3.105 1.975 3.764 . 0 0 "[ . 1 .]" 1
887 1 123 VAL H 1 123 VAL MG2 . . 4.070 2.843 2.152 3.764 . 0 0 "[ . 1 .]" 1
888 1 123 VAL H 1 123 VAL QG . . 3.320 2.173 1.968 2.372 . 0 0 "[ . 1 .]" 1
889 1 123 VAL H 1 124 GLU H . . 4.220 2.696 2.655 2.735 . 0 0 "[ . 1 .]" 1
890 1 123 VAL H 1 125 SER H . . 4.310 4.268 4.174 4.311 0.001 3 0 "[ . 1 .]" 1
891 1 123 VAL MG1 1 124 GLU H . . 4.700 3.135 2.072 3.809 . 0 0 "[ . 1 .]" 1
892 1 123 VAL MG2 1 124 GLU H . . 4.700 3.917 3.741 4.064 . 0 0 "[ . 1 .]" 1
893 1 123 VAL QG 1 124 GLU H . . 4.120 2.949 2.064 3.459 . 0 0 "[ . 1 .]" 1
894 1 124 GLU H 1 124 GLU QG . . 4.270 3.201 2.458 3.987 . 0 0 "[ . 1 .]" 1
895 1 124 GLU H 1 125 SER H . . 4.090 2.632 2.570 2.662 . 0 0 "[ . 1 .]" 1
896 1 124 GLU H 1 126 SER H . . 4.790 4.393 4.269 4.500 . 0 0 "[ . 1 .]" 1
897 1 124 GLU H 1 124 GLU QB . . 3.660 2.174 2.052 2.309 . 0 0 "[ . 1 .]" 1
898 1 124 GLU QB 1 125 SER H . . 4.410 3.025 2.896 3.088 . 0 0 "[ . 1 .]" 1
899 1 124 GLU QB 1 127 ILE MD . . 3.690 3.429 2.896 3.657 . 0 0 "[ . 1 .]" 1
900 1 124 GLU QG 1 127 ILE MD . . 3.550 2.591 1.818 3.390 . 0 0 "[ . 1 .]" 1
901 1 126 SER H 1 126 SER QB . . 3.870 2.306 2.058 2.921 . 0 0 "[ . 1 .]" 1
902 1 126 SER QB 1 127 ILE H . . 4.800 2.683 2.276 3.348 . 0 0 "[ . 1 .]" 1
903 1 127 ILE H 1 127 ILE HB . . 3.730 3.099 2.485 3.647 . 0 0 "[ . 1 .]" 1
904 1 127 ILE H 1 127 ILE MD . . 3.670 2.879 1.929 3.670 0.000 6 0 "[ . 1 .]" 1
905 1 127 ILE H 1 127 ILE QG . . 4.120 2.251 1.919 2.654 . 0 0 "[ . 1 .]" 1
906 1 127 ILE H 1 127 ILE MG . . 3.800 3.147 2.237 3.795 . 0 0 "[ . 1 .]" 1
907 1 127 ILE H 1 128 LYS H . . 4.230 2.440 2.334 2.646 . 0 0 "[ . 1 .]" 1
908 1 127 ILE HB 1 127 ILE MD . . 2.430 2.197 2.033 2.386 . 0 0 "[ . 1 .]" 1
909 1 127 ILE HB 1 128 LYS QB . . 5.100 4.726 4.241 5.101 0.001 4 0 "[ . 1 .]" 1
910 1 127 ILE QG 1 128 LYS H . . 5.040 3.313 2.185 4.299 . 0 0 "[ . 1 .]" 1
911 1 127 ILE MG 1 128 LYS H . . 4.250 3.962 3.744 4.134 . 0 0 "[ . 1 .]" 1
912 1 128 LYS H 1 129 ILE H . . 4.130 2.685 2.438 2.870 . 0 0 "[ . 1 .]" 1
913 1 128 LYS QB 1 129 ILE H . . 3.920 2.557 2.243 2.996 . 0 0 "[ . 1 .]" 1
914 1 128 LYS QB 1 130 THR H . . 5.060 4.849 4.580 5.061 0.001 15 0 "[ . 1 .]" 1
915 1 129 ILE H 1 129 ILE HB . . 3.740 2.378 2.276 2.584 . 0 0 "[ . 1 .]" 1
916 1 129 ILE H 1 129 ILE MD . . 3.970 3.567 2.485 3.835 . 0 0 "[ . 1 .]" 1
917 1 129 ILE H 1 129 ILE MG . . 4.000 3.713 3.656 3.782 . 0 0 "[ . 1 .]" 1
918 1 129 ILE H 1 130 THR H . . 4.140 2.695 2.395 2.832 . 0 0 "[ . 1 .]" 1
919 1 129 ILE HB 1 130 THR H . . 4.100 2.506 2.225 2.728 . 0 0 "[ . 1 .]" 1
920 1 126 SER HA 1 129 ILE HB . . 4.420 3.642 3.116 4.409 . 0 0 "[ . 1 .]" 1
921 1 129 ILE MG 1 130 THR H . . 4.240 2.979 2.566 3.312 . 0 0 "[ . 1 .]" 1
922 1 129 ILE MG 1 131 GLU H . . 4.600 4.492 4.276 4.602 0.002 10 0 "[ . 1 .]" 1
923 1 130 THR H 1 130 THR HB . . 3.790 3.541 3.470 3.622 . 0 0 "[ . 1 .]" 1
924 1 130 THR H 1 130 THR HG1 . . 3.990 2.526 1.961 3.349 . 0 0 "[ . 1 .]" 1
925 1 130 THR H 1 130 THR MG . . 3.770 2.755 2.406 3.055 . 0 0 "[ . 1 .]" 1
926 1 130 THR H 1 131 GLU H . . 4.040 2.599 2.408 2.686 . 0 0 "[ . 1 .]" 1
927 1 130 THR HB 1 131 GLU H . . 4.000 3.742 3.571 3.987 . 0 0 "[ . 1 .]" 1
928 1 130 THR HB 1 131 GLU HA . . 4.670 4.266 4.091 4.563 . 0 0 "[ . 1 .]" 1
929 1 130 THR HG1 1 131 GLU H . . 4.680 2.713 2.239 3.144 . 0 0 "[ . 1 .]" 1
930 1 130 THR MG 1 131 GLU H . . 4.390 4.244 4.063 4.337 . 0 0 "[ . 1 .]" 1
931 1 131 GLU H 1 131 GLU QB . . 3.570 2.108 2.044 2.235 . 0 0 "[ . 1 .]" 1
932 1 131 GLU H 1 131 GLU QG . . 4.120 3.549 3.028 4.023 . 0 0 "[ . 1 .]" 1
933 1 131 GLU H 1 132 GLU H . . 4.290 2.658 2.656 2.660 . 0 0 "[ . 1 .]" 1
934 1 132 GLU H 1 132 GLU QB . . 3.140 2.251 2.119 2.517 . 0 0 "[ . 1 .]" 1
935 1 132 GLU H 1 133 VAL H . . 3.570 2.337 2.318 2.365 . 0 0 "[ . 1 .]" 1
936 1 132 GLU HA 1 135 ASN HD21 . . 4.900 4.296 3.142 4.899 . 0 0 "[ . 1 .]" 1
937 1 132 GLU HA 1 135 ASN QB . . 4.320 3.604 2.927 4.324 0.004 9 0 "[ . 1 .]" 1
938 1 129 ILE HA 1 132 GLU QB . . 4.310 3.833 3.634 4.274 . 0 0 "[ . 1 .]" 1
939 1 133 VAL H 1 133 VAL HB . . 3.890 2.337 2.300 2.403 . 0 0 "[ . 1 .]" 1
940 1 133 VAL H 1 133 VAL MG1 . . 3.980 2.631 2.553 2.687 . 0 0 "[ . 1 .]" 1
941 1 133 VAL H 1 133 VAL MG2 . . 3.980 3.702 3.683 3.742 . 0 0 "[ . 1 .]" 1
942 1 133 VAL H 1 133 VAL QG . . 3.250 2.578 2.512 2.626 . 0 0 "[ . 1 .]" 1
943 1 133 VAL HA 1 136 THR H . . 4.240 3.670 3.403 3.952 . 0 0 "[ . 1 .]" 1
944 1 133 VAL HB 1 134 ILE H . . 4.300 3.794 3.689 3.888 . 0 0 "[ . 1 .]" 1
945 1 133 VAL MG1 1 134 ILE H . . 4.420 2.309 2.270 2.362 . 0 0 "[ . 1 .]" 1
946 1 133 VAL MG2 1 134 ILE H . . 4.420 4.217 4.209 4.224 . 0 0 "[ . 1 .]" 1
947 1 133 VAL MG2 1 136 THR H . . 4.500 4.263 3.959 4.532 0.032 11 0 "[ . 1 .]" 1
948 1 133 VAL QG 1 134 ILE H . . 3.850 2.299 2.261 2.350 . 0 0 "[ . 1 .]" 1
949 1 133 VAL HA 1 134 ILE H . . 4.270 3.445 3.421 3.470 . 0 0 "[ . 1 .]" 1
950 1 134 ILE H 1 134 ILE HB . . 4.080 3.006 2.364 3.608 . 0 0 "[ . 1 .]" 1
951 1 134 ILE H 1 134 ILE MG . . 4.090 2.062 1.898 2.420 . 0 0 "[ . 1 .]" 1
952 1 134 ILE H 1 135 ASN QB . . 4.870 4.364 4.103 4.674 . 0 0 "[ . 1 .]" 1
953 1 134 ILE HA 1 137 HIS H . . 4.470 3.177 2.840 3.608 . 0 0 "[ . 1 .]" 1
954 1 134 ILE MD 1 135 ASN HA . . 4.790 3.607 2.369 4.565 . 0 0 "[ . 1 .]" 1
955 1 134 ILE MG 1 135 ASN H . . 4.180 2.893 2.074 3.860 . 0 0 "[ . 1 .]" 1
956 1 135 ASN H 1 135 ASN HD21 . . 4.470 2.840 1.899 4.410 . 0 0 "[ . 1 .]" 1
957 1 135 ASN H 1 135 ASN QB . . 3.330 2.183 2.048 2.279 . 0 0 "[ . 1 .]" 1
958 1 135 ASN H 1 136 THR H . . 3.610 2.610 2.337 2.811 . 0 0 "[ . 1 .]" 1
959 1 135 ASN HA 1 135 ASN HD21 . . 4.230 4.048 3.822 4.229 . 0 0 "[ . 1 .]" 1
960 1 135 ASN HD22 1 136 THR MG . . 4.320 3.185 2.218 4.270 . 0 0 "[ . 1 .]" 1
961 1 135 ASN QB 1 136 THR H . . 3.510 3.318 2.945 3.507 . 0 0 "[ . 1 .]" 1
962 1 135 ASN QB 1 136 THR HA . . 4.840 4.618 4.368 4.769 . 0 0 "[ . 1 .]" 1
963 1 136 THR H 1 136 THR MG . . 3.400 3.397 3.371 3.410 0.010 10 0 "[ . 1 .]" 1
964 1 136 THR HA 1 139 ARG QD . . 4.640 2.448 1.925 2.736 . 0 0 "[ . 1 .]" 1
965 1 136 THR HB 1 139 ARG QD . . 5.250 4.801 4.107 5.251 0.001 12 0 "[ . 1 .]" 1
966 1 136 THR MG 1 139 ARG QB . . 3.680 3.662 3.547 3.695 0.015 10 0 "[ . 1 .]" 1
967 1 136 THR MG 1 139 ARG QD . . 3.360 3.085 2.512 3.368 0.008 1 0 "[ . 1 .]" 1
968 1 137 HIS H 1 137 HIS HB2 . . 3.570 2.347 2.066 2.956 . 0 0 "[ . 1 .]" 1
969 1 137 HIS H 1 137 HIS HB3 . . 3.870 2.870 2.179 3.539 . 0 0 "[ . 1 .]" 1
970 1 137 HIS H 1 137 HIS QB . . 3.200 2.158 2.045 2.260 . 0 0 "[ . 1 .]" 1
971 1 138 HIS H 1 138 HIS HB2 . . 3.770 2.387 2.135 2.565 . 0 0 "[ . 1 .]" 1
972 1 138 HIS H 1 138 HIS HB3 . . 3.770 2.750 2.562 3.094 . 0 0 "[ . 1 .]" 1
973 1 138 HIS H 1 138 HIS HD2 . . 5.080 4.889 4.556 5.083 0.003 9 0 "[ . 1 .]" 1
974 1 138 HIS H 1 138 HIS QB . . 3.030 2.229 2.099 2.359 . 0 0 "[ . 1 .]" 1
975 1 138 HIS H 1 139 ARG H . . 3.530 2.638 2.045 2.908 . 0 0 "[ . 1 .]" 1
976 1 138 HIS HA 1 139 ARG H . . 3.570 3.529 3.410 3.567 . 0 0 "[ . 1 .]" 1
977 1 138 HIS QB 1 139 ARG H . . 4.190 2.527 2.262 3.114 . 0 0 "[ . 1 .]" 1
978 1 139 ARG H 1 139 ARG QB . . 3.000 2.220 2.170 2.326 . 0 0 "[ . 1 .]" 1
979 1 139 ARG H 1 139 ARG QG . . 4.220 2.952 2.502 4.019 . 0 0 "[ . 1 .]" 1
980 1 139 ARG H 1 140 SER H . . 3.250 3.030 2.235 3.212 . 0 0 "[ . 1 .]" 1
981 1 139 ARG QB 1 140 SER H . . 3.160 2.219 2.061 2.906 . 0 0 "[ . 1 .]" 1
982 1 139 ARG QD 1 140 SER H . . 4.080 3.855 2.501 4.090 0.010 10 0 "[ . 1 .]" 1
983 1 140 SER H 1 140 SER QB . . 2.990 2.565 2.052 2.964 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 61
_Distance_constraint_stats_list.Viol_count 915
_Distance_constraint_stats_list.Viol_total 12177.084
_Distance_constraint_stats_list.Viol_max 2.692
_Distance_constraint_stats_list.Viol_rms 0.5974
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8872
_Distance_constraint_stats_list.Viol_average_violations_only 0.8872
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ALA 18.151 0.690 14 14 [-************+.]
1 13 ASP 18.151 0.690 14 14 [-************+.]
1 29 GLU 29.113 1.358 1 15 [+***********-**]
1 30 SER 14.949 0.816 13 11 "[ ***- **** +**]"
1 33 ALA 29.113 1.358 1 15 [+***********-**]
1 34 GLY 14.949 0.816 13 11 "[ ***- **** +**]"
1 36 LEU 23.290 1.330 11 15 [****-*****+****]
1 37 ILE 18.106 1.084 2 10 "[*+* *****1 * -]"
1 38 GLU 5.966 0.803 2 2 "[ + . * 1 .]"
1 40 SER 23.290 1.330 11 15 [****-*****+****]
1 41 GLN 18.106 1.084 2 10 "[*+* *****1 * -]"
1 42 GLU 5.966 0.803 2 2 "[ + . * 1 .]"
1 52 PHE 13.417 0.787 1 9 "[+ * *-* *1 ** *]"
1 56 VAL 13.417 0.787 1 9 "[+ * *-* *1 ** *]"
1 60 CYS 4.991 0.288 14 0 "[ . 1 .]"
1 62 LYS 47.705 2.520 8 15 [****-**+*******]
1 64 SER 43.149 1.808 5 15 [****+**-*******]
1 65 GLU 20.956 0.949 5 15 [****+*****-****]
1 66 LEU 68.068 2.520 8 15 [**-****+*******]
1 68 GLY 68.250 1.808 5 15 [****+**-*******]
1 69 LEU 20.956 0.949 5 15 [****+*****-****]
1 70 VAL 20.363 0.907 1 15 [+*-************]
1 72 TYR 30.092 1.375 10 15 [-********+*****]
1 82 THR 23.578 1.376 10 14 "[*****- **+*****]"
1 86 SER 33.159 1.376 10 15 [*****-***+*****]
1 88 LEU 25.715 1.095 2 15 [*+*********-***]
1 89 LYS 43.003 1.721 2 15 [*+*********-***]
1 90 SER 9.581 0.923 11 4 "[*- . * 1+ .]"
1 92 THR 25.715 1.095 2 15 [*+*********-***]
1 93 GLU 67.053 1.721 2 15 [-+*************]
1 94 LYS 45.707 2.174 7 15 [***-**+********]
1 97 LYS 68.897 1.593 5 15 [-***+**********]
1 98 ILE 45.707 2.174 7 15 [***-**+********]
1 101 LEU 44.847 1.593 5 15 [****+*******-**]
1 107 SER 52.137 1.871 5 15 [****+********-*]
1 109 VAL 3.253 0.191 1 0 "[ . 1 .]"
1 111 LEU 122.825 2.664 5 15 [****+********-*]
1 113 GLY 3.253 0.191 1 0 "[ . 1 .]"
1 114 LYS 32.648 1.271 12 15 [****-******+***]
1 115 TYR 86.406 2.664 5 15 [****+**-*******]
1 118 PHE 53.535 1.271 12 15 [***********+*-*]
1 119 THR 15.718 0.722 9 11 "[*** .**-+** * *]"
1 120 LYS 50.445 2.080 8 15 [*******+*****-*]
1 122 PHE 20.887 1.232 2 12 "[*+ *.* ******-*]"
1 124 GLU 50.445 2.080 8 15 [*******+*****-*]
1 127 ILE 9.212 0.665 1 4 "[+ . * 1*- .]"
1 131 GLU 9.212 0.665 1 4 "[+ . * 1*- .]"
1 132 GLU 28.380 2.692 10 15 [****-****+*****]
1 133 VAL 15.850 0.978 13 10 "[** *.* -** +**]"
1 134 ILE 10.851 0.933 11 6 "[ * * ** 1+* .]"
1 136 THR 28.380 2.692 10 15 [****-****+*****]
1 137 HIS 15.850 0.978 13 10 "[** *.* -** +**]"
1 138 HIS 10.851 0.933 11 6 "[ * * ** 1+* .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ALA O 1 13 ASP H . . 1.790 2.457 2.276 2.480 0.690 14 14 [******-******+.] 2
2 1 9 ALA O 1 13 ASP N . . 2.680 3.223 3.111 3.240 0.560 14 13 "[-***** ******+.]" 2
3 1 29 GLU O 1 33 ALA H . . 1.790 2.724 2.444 3.104 1.314 1 15 [+***********-**] 2
4 1 29 GLU O 1 33 ALA N . . 2.680 3.687 3.389 4.038 1.358 1 15 [+**-***********] 2
5 1 30 SER O 1 34 GLY H . . 1.790 2.345 2.126 2.606 0.816 13 11 "[ -*** **** +**]" 2
6 1 30 SER O 1 34 GLY N . . 2.680 3.121 2.931 3.372 0.692 13 4 "[ - * +*.]" 2
7 1 36 LEU O 1 40 SER H . . 1.790 2.611 2.460 3.120 1.330 11 15 [*-********+****] 2
8 1 36 LEU O 1 40 SER N . . 2.680 3.411 3.298 3.884 1.204 11 15 [****-*****+****] 2
9 1 37 ILE O 1 41 GLN H . . 1.790 2.398 2.005 2.874 1.084 2 10 "[*+* ****-1 * *]" 2
10 1 37 ILE O 1 41 GLN N . . 2.680 3.279 2.914 3.701 1.021 2 10 "[*+* *****1 * -]" 2
11 1 38 GLU O 1 42 GLU H . . 1.790 1.963 1.795 2.593 0.803 2 2 "[ + . - 1 .]" 2
12 1 38 GLU O 1 42 GLU N . . 2.680 2.905 2.748 3.443 0.763 7 2 "[ - . + 1 .]" 2
13 1 60 CYS O 1 64 SER H . . 1.790 2.053 2.021 2.078 0.288 14 0 "[ . 1 .]" 2
14 1 60 CYS O 1 64 SER N . . 2.680 2.750 2.745 2.790 0.110 14 0 "[ . 1 .]" 2
15 1 62 LYS O 1 66 LEU H . . 1.790 3.454 3.175 4.310 2.520 8 15 [****-**+*******] 2
16 1 62 LYS O 1 66 LEU N . . 2.680 4.196 3.888 5.013 2.333 8 15 [****-**+*******] 2
17 1 66 LEU O 1 70 VAL H . . 1.790 2.577 2.423 2.697 0.907 1 15 [+***********-**] 2
18 1 66 LEU O 1 70 VAL N . . 2.680 3.251 3.207 3.341 0.661 10 15 [**-******+*****] 2
19 1 86 SER O 1 90 SER H . . 1.790 2.124 1.834 2.713 0.923 11 4 "[-* . * 1+ .]" 2
20 1 86 SER O 1 90 SER N . . 2.680 2.985 2.755 3.523 0.843 7 4 "[*- . + 1* .]" 2
21 1 88 LEU O 1 92 THR H . . 1.790 2.621 2.375 2.851 1.061 2 15 [*+*********-***] 2
22 1 88 LEU O 1 92 THR N . . 2.680 3.563 3.334 3.775 1.095 2 15 [*+*********-***] 2
23 1 94 LYS O 1 98 ILE H . . 1.790 3.506 3.140 3.964 2.174 7 15 [***-**+********] 2
24 1 94 LYS O 1 98 ILE N . . 2.680 4.011 3.655 4.494 1.814 7 15 [***-**+********] 2
25 1 52 PHE O 1 56 VAL H . . 1.790 2.312 1.955 2.577 0.787 1 9 "[+ * *-* *1 ** *]" 2
26 1 52 PHE O 1 56 VAL N . . 2.680 3.053 2.740 3.295 0.615 1 9 "[+ * *-* *1 ** *]" 2
27 1 64 SER O 1 68 GLY H . . 1.790 3.164 2.473 3.598 1.808 5 15 [****+**-*******] 2
28 1 64 SER O 1 68 GLY N . . 2.680 3.849 3.166 4.297 1.617 5 14 "[*-**+** *******]" 2
29 1 65 GLU O 1 69 LEU H . . 1.790 2.635 2.443 2.739 0.949 5 15 [****+******-***] 2
30 1 65 GLU O 1 69 LEU N . . 2.680 3.232 3.003 3.377 0.697 5 10 "[* **+** *1- **]" 2
31 1 68 GLY O 1 72 TYR H . . 1.790 3.027 2.966 3.165 1.375 10 15 [-********+*****] 2
32 1 68 GLY O 1 72 TYR N . . 2.680 3.449 3.403 3.570 0.890 10 15 [-********+*****] 2
33 1 82 THR O 1 86 SER H . . 1.790 2.570 2.264 3.166 1.376 10 14 "[****** **+****-]" 2
34 1 82 THR O 1 86 SER N . . 2.680 3.472 3.108 3.951 1.271 10 14 "[*****- **+*****]" 2
35 1 89 LYS O 1 93 GLU H . . 1.790 3.280 3.113 3.511 1.721 2 15 [*+*********-***] 2
36 1 89 LYS O 1 93 GLU N . . 2.680 4.057 3.909 4.249 1.569 2 15 [*+*********-***] 2
37 1 93 GLU O 1 97 LYS H . . 1.790 2.642 1.981 3.058 1.268 3 12 "[- +**** ** ****]" 2
38 1 93 GLU O 1 97 LYS N . . 2.680 3.432 2.821 3.784 1.104 3 12 "[- +**** ** ****]" 2
39 1 97 LYS O 1 101 LEU H . . 1.790 3.359 3.333 3.383 1.593 5 15 [****+*-********] 2
40 1 97 LYS O 1 101 LEU N . . 2.680 4.101 4.075 4.130 1.450 5 15 [****+*******-**] 2
41 1 114 LYS O 1 118 PHE H . . 1.790 2.953 2.831 3.061 1.271 12 15 [****-******+***] 2
42 1 114 LYS O 1 118 PHE N . . 2.680 3.694 3.592 3.799 1.119 2 15 [*+**-**********] 2
43 1 107 SER O 1 111 LEU H . . 1.790 3.609 3.590 3.661 1.871 5 15 [****+********-*] 2
44 1 107 SER O 1 111 LEU N . . 2.680 4.337 4.320 4.371 1.691 5 15 [****+********-*] 2
45 1 109 VAL O 1 113 GLY H . . 1.790 1.964 1.912 1.981 0.191 1 0 "[ . 1 .]" 2
46 1 109 VAL O 1 113 GLY N . . 2.680 2.723 2.714 2.732 0.052 7 0 "[ . 1 .]" 2
47 1 111 LEU O 1 115 TYR H . . 1.790 4.187 3.939 4.454 2.664 5 15 [****+***-******] 2
48 1 111 LEU O 1 115 TYR N . . 2.680 4.995 4.799 5.244 2.564 5 15 [****+***-******] 2
49 1 115 TYR O 1 119 THR H . . 1.790 2.295 2.071 2.490 0.700 2 8 "[ +* . * **- * *]" 2
50 1 115 TYR O 1 119 THR N . . 2.680 3.223 3.034 3.402 0.722 9 11 "[*** .**-+** * *]" 2
51 1 118 PHE O 1 122 PHE H . . 1.790 2.573 1.831 3.022 1.232 2 12 "[*+ *.* ****-***]" 2
52 1 118 PHE O 1 122 PHE N . . 2.680 3.290 2.750 3.635 0.955 2 11 "[*+ *.* **** *-*]" 2
53 1 120 LYS O 1 124 GLU H . . 1.790 3.557 3.012 3.870 2.080 8 15 [*******+*****-*] 2
54 1 120 LYS O 1 124 GLU N . . 2.680 4.276 3.785 4.595 1.915 8 15 [*******+*****-*] 2
55 1 127 ILE O 1 131 GLU H . . 1.790 2.193 1.988 2.455 0.665 1 4 "[+ . * 1*- .]" 2
56 1 127 ILE O 1 131 GLU N . . 2.680 2.891 2.749 3.110 0.430 1 0 "[ . 1 .]" 2
57 1 132 GLU O 1 136 THR N . . 2.680 4.572 3.714 5.372 2.692 10 15 [****-****+*****] 2
58 1 133 VAL O 1 137 HIS H . . 1.790 2.293 1.896 2.719 0.929 13 7 "[ * *.* 1* +-*]" 2
59 1 133 VAL O 1 137 HIS N . . 2.680 3.234 2.815 3.658 0.978 13 10 "[** *.* -** +**]" 2
60 1 134 ILE O 1 138 HIS H . . 1.790 2.158 1.819 2.723 0.933 11 6 "[ * * -* 1+* .]" 2
61 1 134 ILE O 1 138 HIS N . . 2.680 3.036 2.748 3.481 0.801 3 6 "[ + * ** 1-* .]" 2
stop_
save_
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